USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 525 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 63 TYR OH : rot 165:sc= -0.448 USER MOD Set 1.2: A 70 GLN : amide:sc= -2.44 K(o=-2.9,f=-0.041) USER MOD Single : A 13 THR OG1 : rot -28:sc= -0.546 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.285 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 102:sc= 1.24 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= -0.0273 (180deg=-0.382) USER MOD Single : A 53 TYR OH : rot 155:sc= -1.52 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 89:sc= 0.597 USER MOD Single : A 57 THR OG1 : rot -45:sc= 0.383 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -75:sc= 1.26 USER MOD Single : A 62 THR OG1 : rot 81:sc= 0.806 USER MOD Single : A 64 THR OG1 : rot 91:sc= 0.107 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 94:sc= 1.28 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 85.116 -19.994 2.062 1.00 0.00 N ATOM 2 CA THR A 13 86.314 -19.680 2.884 1.00 0.00 C ATOM 3 C THR A 13 86.062 -18.486 3.797 1.00 0.00 C ATOM 4 O THR A 13 85.441 -17.502 3.395 1.00 0.00 O ATOM 5 CB THR A 13 87.486 -19.385 1.949 1.00 0.00 C ATOM 6 OG1 THR A 13 87.170 -18.321 1.069 1.00 0.00 O ATOM 7 CG2 THR A 13 87.893 -20.573 1.104 1.00 0.00 C ATOM 0 HA THR A 13 86.543 -20.537 3.518 1.00 0.00 H new ATOM 0 HB THR A 13 88.318 -19.124 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 13 86.202 -18.296 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 13 88.730 -20.294 0.464 1.00 0.00 H new ATOM 0 HG22 THR A 13 88.191 -21.396 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 13 87.051 -20.885 0.486 1.00 0.00 H new ATOM 15 N PHE A 14 86.555 -18.580 5.026 1.00 0.00 N ATOM 16 CA PHE A 14 86.394 -17.508 6.000 1.00 0.00 C ATOM 17 C PHE A 14 87.716 -16.782 6.210 1.00 0.00 C ATOM 18 O PHE A 14 87.752 -15.560 6.357 1.00 0.00 O ATOM 19 CB PHE A 14 85.882 -18.065 7.329 1.00 0.00 C ATOM 20 CG PHE A 14 86.715 -19.193 7.866 1.00 0.00 C ATOM 21 CD1 PHE A 14 86.489 -20.496 7.452 1.00 0.00 C ATOM 22 CD2 PHE A 14 87.723 -18.952 8.786 1.00 0.00 C ATOM 23 CE1 PHE A 14 87.253 -21.537 7.945 1.00 0.00 C ATOM 24 CE2 PHE A 14 88.490 -19.989 9.283 1.00 0.00 C ATOM 25 CZ PHE A 14 88.254 -21.283 8.861 1.00 0.00 C ATOM 0 H PHE A 14 87.071 -19.389 5.372 1.00 0.00 H new ATOM 0 HA PHE A 14 85.661 -16.799 5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 14 85.855 -17.261 8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 14 84.857 -18.411 7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 14 85.707 -20.700 6.736 1.00 0.00 H new ATOM 0 HD2 PHE A 14 87.912 -17.942 9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 14 87.067 -22.548 7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 14 89.272 -19.788 10.000 1.00 0.00 H new ATOM 0 HZ PHE A 14 88.852 -22.095 9.247 1.00 0.00 H new ATOM 35 N LEU A 15 88.803 -17.547 6.215 1.00 0.00 N ATOM 36 CA LEU A 15 90.133 -16.982 6.395 1.00 0.00 C ATOM 37 C LEU A 15 90.685 -16.487 5.064 1.00 0.00 C ATOM 38 O LEU A 15 91.487 -15.554 5.021 1.00 0.00 O ATOM 39 CB LEU A 15 91.077 -18.023 7.000 1.00 0.00 C ATOM 40 CG LEU A 15 91.277 -19.283 6.154 1.00 0.00 C ATOM 41 CD1 LEU A 15 92.454 -19.106 5.207 1.00 0.00 C ATOM 42 CD2 LEU A 15 91.487 -20.496 7.048 1.00 0.00 C ATOM 0 H LEU A 15 88.788 -18.560 6.096 1.00 0.00 H new ATOM 0 HA LEU A 15 90.058 -16.137 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 15 92.048 -17.557 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 90.692 -18.316 7.977 1.00 0.00 H new ATOM 0 HG LEU A 15 90.379 -19.447 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 15 92.582 -20.011 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 92.264 -18.261 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 15 93.360 -18.919 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 15 91.628 -21.383 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 15 92.370 -20.342 7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 15 90.614 -20.633 7.686 1.00 0.00 H new ATOM 54 N THR A 16 90.242 -17.113 3.976 1.00 0.00 N ATOM 55 CA THR A 16 90.687 -16.729 2.642 1.00 0.00 C ATOM 56 C THR A 16 90.012 -15.438 2.204 1.00 0.00 C ATOM 57 O THR A 16 90.578 -14.662 1.431 1.00 0.00 O ATOM 58 CB THR A 16 90.389 -17.845 1.639 1.00 0.00 C ATOM 59 OG1 THR A 16 90.657 -19.114 2.207 1.00 0.00 O ATOM 60 CG2 THR A 16 91.194 -17.734 0.362 1.00 0.00 C ATOM 0 H THR A 16 89.577 -17.886 3.993 1.00 0.00 H new ATOM 0 HA THR A 16 91.764 -16.564 2.674 1.00 0.00 H new ATOM 0 HB THR A 16 89.333 -17.737 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 16 90.614 -19.801 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 16 90.934 -18.556 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 16 90.971 -16.786 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 16 92.257 -17.780 0.597 1.00 0.00 H new ATOM 68 N GLN A 17 88.804 -15.201 2.705 1.00 0.00 N ATOM 69 CA GLN A 17 88.070 -13.993 2.365 1.00 0.00 C ATOM 70 C GLN A 17 88.827 -12.764 2.856 1.00 0.00 C ATOM 71 O GLN A 17 89.078 -11.831 2.093 1.00 0.00 O ATOM 72 CB GLN A 17 86.651 -14.040 2.954 1.00 0.00 C ATOM 73 CG GLN A 17 86.452 -13.176 4.193 1.00 0.00 C ATOM 74 CD GLN A 17 84.989 -12.935 4.509 1.00 0.00 C ATOM 75 OE1 GLN A 17 84.303 -13.811 5.035 1.00 0.00 O ATOM 76 NE2 GLN A 17 84.502 -11.741 4.187 1.00 0.00 N ATOM 0 H GLN A 17 88.316 -15.828 3.345 1.00 0.00 H new ATOM 0 HA GLN A 17 87.980 -13.929 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 17 85.943 -13.723 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 17 86.409 -15.073 3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 17 86.930 -13.657 5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 17 86.951 -12.218 4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 17 85.107 -11.044 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 17 83.524 -11.522 4.375 1.00 0.00 H new ATOM 85 N VAL A 18 89.198 -12.774 4.136 1.00 0.00 N ATOM 86 CA VAL A 18 89.936 -11.660 4.717 1.00 0.00 C ATOM 87 C VAL A 18 91.264 -11.500 4.004 1.00 0.00 C ATOM 88 O VAL A 18 91.735 -10.386 3.788 1.00 0.00 O ATOM 89 CB VAL A 18 90.202 -11.842 6.225 1.00 0.00 C ATOM 90 CG1 VAL A 18 90.391 -10.490 6.896 1.00 0.00 C ATOM 91 CG2 VAL A 18 89.076 -12.619 6.895 1.00 0.00 C ATOM 0 H VAL A 18 89.000 -13.537 4.784 1.00 0.00 H new ATOM 0 HA VAL A 18 89.316 -10.772 4.593 1.00 0.00 H new ATOM 0 HB VAL A 18 91.119 -12.420 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 18 90.578 -10.635 7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 18 91.240 -9.976 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.491 -9.889 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 18 89.293 -12.731 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 18 88.137 -12.079 6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 18 88.991 -13.604 6.437 1.00 0.00 H new ATOM 101 N LYS A 19 91.856 -12.626 3.619 1.00 0.00 N ATOM 102 CA LYS A 19 93.122 -12.608 2.906 1.00 0.00 C ATOM 103 C LYS A 19 93.000 -11.754 1.652 1.00 0.00 C ATOM 104 O LYS A 19 93.985 -11.198 1.167 1.00 0.00 O ATOM 105 CB LYS A 19 93.554 -14.030 2.539 1.00 0.00 C ATOM 106 CG LYS A 19 94.437 -14.687 3.587 1.00 0.00 C ATOM 107 CD LYS A 19 94.996 -16.012 3.092 1.00 0.00 C ATOM 108 CE LYS A 19 96.036 -15.805 2.001 1.00 0.00 C ATOM 109 NZ LYS A 19 97.154 -16.782 2.108 1.00 0.00 N ATOM 0 H LYS A 19 91.478 -13.558 3.789 1.00 0.00 H new ATOM 0 HA LYS A 19 93.882 -12.176 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 19 92.666 -14.643 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 19 94.089 -14.005 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 19 95.258 -14.018 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 19 93.862 -14.851 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 19 95.444 -16.553 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 19 94.184 -16.631 2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 19 95.562 -15.901 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 19 96.432 -14.791 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 97.841 -16.608 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 97.623 -16.673 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 96.780 -17.749 2.022 1.00 0.00 H new ATOM 123 N GLU A 20 91.776 -11.639 1.141 1.00 0.00 N ATOM 124 CA GLU A 20 91.522 -10.833 -0.045 1.00 0.00 C ATOM 125 C GLU A 20 91.454 -9.353 0.326 1.00 0.00 C ATOM 126 O GLU A 20 91.586 -8.480 -0.532 1.00 0.00 O ATOM 127 CB GLU A 20 90.217 -11.263 -0.716 1.00 0.00 C ATOM 128 CG GLU A 20 90.224 -12.707 -1.190 1.00 0.00 C ATOM 129 CD GLU A 20 88.853 -13.183 -1.630 1.00 0.00 C ATOM 130 OE1 GLU A 20 87.915 -13.133 -0.806 1.00 0.00 O ATOM 131 OE2 GLU A 20 88.718 -13.606 -2.797 1.00 0.00 O ATOM 0 H GLU A 20 90.949 -12.093 1.530 1.00 0.00 H new ATOM 0 HA GLU A 20 92.342 -10.985 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 20 89.394 -11.124 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 20 90.024 -10.611 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 20 90.924 -12.810 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 20 90.586 -13.348 -0.386 1.00 0.00 H new ATOM 138 N SER A 21 91.247 -9.081 1.613 1.00 0.00 N ATOM 139 CA SER A 21 91.158 -7.719 2.111 1.00 0.00 C ATOM 140 C SER A 21 92.445 -7.310 2.817 1.00 0.00 C ATOM 141 O SER A 21 93.046 -6.290 2.482 1.00 0.00 O ATOM 142 CB SER A 21 89.987 -7.600 3.077 1.00 0.00 C ATOM 143 OG SER A 21 89.007 -6.701 2.589 1.00 0.00 O ATOM 0 H SER A 21 91.138 -9.796 2.332 1.00 0.00 H new ATOM 0 HA SER A 21 91.004 -7.054 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 21 89.539 -8.582 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 21 90.347 -7.258 4.047 1.00 0.00 H new ATOM 0 HG SER A 21 88.266 -6.646 3.228 1.00 0.00 H new ATOM 149 N LEU A 22 92.876 -8.113 3.792 1.00 0.00 N ATOM 150 CA LEU A 22 94.101 -7.817 4.525 1.00 0.00 C ATOM 151 C LEU A 22 95.279 -7.728 3.563 1.00 0.00 C ATOM 152 O LEU A 22 96.306 -7.122 3.871 1.00 0.00 O ATOM 153 CB LEU A 22 94.367 -8.882 5.589 1.00 0.00 C ATOM 154 CG LEU A 22 94.479 -10.310 5.058 1.00 0.00 C ATOM 155 CD1 LEU A 22 95.934 -10.670 4.801 1.00 0.00 C ATOM 156 CD2 LEU A 22 93.848 -11.294 6.032 1.00 0.00 C ATOM 0 H LEU A 22 92.398 -8.964 4.088 1.00 0.00 H new ATOM 0 HA LEU A 22 93.979 -6.856 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 22 95.291 -8.631 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 22 93.565 -8.846 6.326 1.00 0.00 H new ATOM 0 HG LEU A 22 93.938 -10.369 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 22 95.995 -11.691 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 22 96.354 -9.985 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 22 96.498 -10.593 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 93.938 -12.306 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 22 94.359 -11.233 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 22 92.794 -11.049 6.166 1.00 0.00 H new ATOM 168 N SER A 23 95.112 -8.327 2.389 1.00 0.00 N ATOM 169 CA SER A 23 96.145 -8.310 1.365 1.00 0.00 C ATOM 170 C SER A 23 95.849 -7.236 0.322 1.00 0.00 C ATOM 171 O SER A 23 96.747 -6.789 -0.391 1.00 0.00 O ATOM 172 CB SER A 23 96.250 -9.679 0.690 1.00 0.00 C ATOM 173 OG SER A 23 97.482 -9.816 0.003 1.00 0.00 O ATOM 0 H SER A 23 94.266 -8.832 2.124 1.00 0.00 H new ATOM 0 HA SER A 23 97.096 -8.079 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 23 96.159 -10.465 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 23 95.424 -9.807 -0.009 1.00 0.00 H new ATOM 0 HG SER A 23 97.525 -10.700 -0.418 1.00 0.00 H new ATOM 179 N SER A 24 94.586 -6.817 0.241 1.00 0.00 N ATOM 180 CA SER A 24 94.189 -5.789 -0.716 1.00 0.00 C ATOM 181 C SER A 24 94.384 -4.391 -0.134 1.00 0.00 C ATOM 182 O SER A 24 94.177 -3.390 -0.820 1.00 0.00 O ATOM 183 CB SER A 24 92.733 -5.984 -1.137 1.00 0.00 C ATOM 184 OG SER A 24 92.626 -6.936 -2.182 1.00 0.00 O ATOM 0 H SER A 24 93.827 -7.172 0.823 1.00 0.00 H new ATOM 0 HA SER A 24 94.827 -5.886 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 24 92.145 -6.312 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 92.315 -5.032 -1.464 1.00 0.00 H new ATOM 0 HG SER A 24 92.318 -7.791 -1.815 1.00 0.00 H new ATOM 190 N TYR A 25 94.796 -4.329 1.127 1.00 0.00 N ATOM 191 CA TYR A 25 95.035 -3.056 1.793 1.00 0.00 C ATOM 192 C TYR A 25 96.504 -2.928 2.183 1.00 0.00 C ATOM 193 O TYR A 25 96.948 -1.867 2.622 1.00 0.00 O ATOM 194 CB TYR A 25 94.145 -2.924 3.031 1.00 0.00 C ATOM 195 CG TYR A 25 92.903 -2.093 2.798 1.00 0.00 C ATOM 196 CD1 TYR A 25 92.972 -0.708 2.738 1.00 0.00 C ATOM 197 CD2 TYR A 25 91.662 -2.696 2.637 1.00 0.00 C ATOM 198 CE1 TYR A 25 91.840 0.055 2.525 1.00 0.00 C ATOM 199 CE2 TYR A 25 90.525 -1.941 2.423 1.00 0.00 C ATOM 200 CZ TYR A 25 90.618 -0.567 2.368 1.00 0.00 C ATOM 201 OH TYR A 25 89.488 0.189 2.156 1.00 0.00 O ATOM 0 H TYR A 25 94.972 -5.148 1.709 1.00 0.00 H new ATOM 0 HA TYR A 25 94.787 -2.252 1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 25 93.849 -3.919 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 25 94.725 -2.477 3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 25 93.927 -0.218 2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 25 91.585 -3.772 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 25 91.911 1.132 2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.568 -2.425 2.299 1.00 0.00 H new ATOM 0 HH TYR A 25 88.711 -0.402 2.065 1.00 0.00 H new ATOM 211 N TRP A 26 97.256 -4.010 2.001 1.00 0.00 N ATOM 212 CA TRP A 26 98.676 -4.010 2.313 1.00 0.00 C ATOM 213 C TRP A 26 99.472 -3.669 1.064 1.00 0.00 C ATOM 214 O TRP A 26 100.529 -3.044 1.135 1.00 0.00 O ATOM 215 CB TRP A 26 99.106 -5.373 2.861 1.00 0.00 C ATOM 216 CG TRP A 26 100.560 -5.439 3.219 1.00 0.00 C ATOM 217 CD1 TRP A 26 101.611 -5.566 2.357 1.00 0.00 C ATOM 218 CD2 TRP A 26 101.124 -5.380 4.534 1.00 0.00 C ATOM 219 NE1 TRP A 26 102.793 -5.591 3.056 1.00 0.00 N ATOM 220 CE2 TRP A 26 102.522 -5.478 4.394 1.00 0.00 C ATOM 221 CE3 TRP A 26 100.583 -5.253 5.817 1.00 0.00 C ATOM 222 CZ2 TRP A 26 103.383 -5.454 5.487 1.00 0.00 C ATOM 223 CZ3 TRP A 26 101.441 -5.230 6.901 1.00 0.00 C ATOM 224 CH2 TRP A 26 102.827 -5.328 6.731 1.00 0.00 C ATOM 0 H TRP A 26 96.903 -4.896 1.639 1.00 0.00 H new ATOM 0 HA TRP A 26 98.870 -3.259 3.078 1.00 0.00 H new ATOM 0 HB2 TRP A 26 98.511 -5.605 3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 26 98.887 -6.140 2.118 1.00 0.00 H new ATOM 0 HD1 TRP A 26 101.525 -5.636 1.283 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.722 -5.679 2.645 1.00 0.00 H new ATOM 0 HE3 TRP A 26 99.515 -5.174 5.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 104.452 -5.532 5.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 101.034 -5.135 7.897 1.00 0.00 H new ATOM 0 HH2 TRP A 26 103.470 -5.304 7.598 1.00 0.00 H new ATOM 235 N GLU A 27 98.938 -4.073 -0.085 1.00 0.00 N ATOM 236 CA GLU A 27 99.581 -3.797 -1.361 1.00 0.00 C ATOM 237 C GLU A 27 99.175 -2.421 -1.873 1.00 0.00 C ATOM 238 O GLU A 27 99.873 -1.819 -2.689 1.00 0.00 O ATOM 239 CB GLU A 27 99.223 -4.872 -2.389 1.00 0.00 C ATOM 240 CG GLU A 27 97.746 -4.901 -2.748 1.00 0.00 C ATOM 241 CD GLU A 27 97.429 -5.916 -3.829 1.00 0.00 C ATOM 242 OE1 GLU A 27 97.716 -5.634 -5.010 1.00 0.00 O ATOM 243 OE2 GLU A 27 96.892 -6.992 -3.492 1.00 0.00 O ATOM 0 H GLU A 27 98.063 -4.592 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 27 100.661 -3.810 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 27 99.806 -4.705 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 27 99.513 -5.848 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 27 97.163 -5.132 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 27 97.438 -3.911 -3.083 1.00 0.00 H new ATOM 250 N SER A 28 98.047 -1.922 -1.377 1.00 0.00 N ATOM 251 CA SER A 28 97.555 -0.612 -1.768 1.00 0.00 C ATOM 252 C SER A 28 98.247 0.463 -0.953 1.00 0.00 C ATOM 253 O SER A 28 98.648 1.501 -1.478 1.00 0.00 O ATOM 254 CB SER A 28 96.046 -0.538 -1.561 1.00 0.00 C ATOM 255 OG SER A 28 95.454 0.414 -2.426 1.00 0.00 O ATOM 0 H SER A 28 97.457 -2.409 -0.702 1.00 0.00 H new ATOM 0 HA SER A 28 97.773 -0.451 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 28 95.604 -1.518 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 28 95.831 -0.275 -0.525 1.00 0.00 H new ATOM 0 HG SER A 28 94.486 0.439 -2.272 1.00 0.00 H new ATOM 261 N ALA A 29 98.395 0.195 0.335 1.00 0.00 N ATOM 262 CA ALA A 29 99.058 1.130 1.233 1.00 0.00 C ATOM 263 C ALA A 29 100.427 1.513 0.683 1.00 0.00 C ATOM 264 O ALA A 29 100.939 2.596 0.961 1.00 0.00 O ATOM 265 CB ALA A 29 99.191 0.528 2.624 1.00 0.00 C ATOM 0 H ALA A 29 98.066 -0.661 0.782 1.00 0.00 H new ATOM 0 HA ALA A 29 98.450 2.032 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.689 1.240 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 29 98.201 0.300 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 29 99.779 -0.388 2.569 1.00 0.00 H new ATOM 271 N LYS A 30 101.008 0.617 -0.111 1.00 0.00 N ATOM 272 CA LYS A 30 102.310 0.860 -0.715 1.00 0.00 C ATOM 273 C LYS A 30 102.155 1.524 -2.080 1.00 0.00 C ATOM 274 O LYS A 30 103.032 2.268 -2.518 1.00 0.00 O ATOM 275 CB LYS A 30 103.086 -0.451 -0.855 1.00 0.00 C ATOM 276 CG LYS A 30 103.973 -0.764 0.338 1.00 0.00 C ATOM 277 CD LYS A 30 105.228 -1.513 -0.082 1.00 0.00 C ATOM 278 CE LYS A 30 106.399 -1.192 0.832 1.00 0.00 C ATOM 279 NZ LYS A 30 107.682 -1.107 0.080 1.00 0.00 N ATOM 0 H LYS A 30 100.595 -0.284 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 30 102.868 1.532 -0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 30 102.379 -1.269 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 30 103.702 -0.404 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 30 104.252 0.163 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 30 103.416 -1.361 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 30 105.036 -2.586 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 30 105.483 -1.251 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 30 106.213 -0.247 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 30 106.480 -1.959 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 108.456 -0.887 0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 107.872 -2.017 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 107.614 -0.358 -0.638 1.00 0.00 H new ATOM 293 N THR A 31 101.035 1.256 -2.750 1.00 0.00 N ATOM 294 CA THR A 31 100.780 1.839 -4.061 1.00 0.00 C ATOM 295 C THR A 31 100.364 3.304 -3.932 1.00 0.00 C ATOM 296 O THR A 31 100.557 4.096 -4.854 1.00 0.00 O ATOM 297 CB THR A 31 99.706 1.035 -4.808 1.00 0.00 C ATOM 298 OG1 THR A 31 99.898 1.128 -6.208 1.00 0.00 O ATOM 299 CG2 THR A 31 98.286 1.477 -4.514 1.00 0.00 C ATOM 0 H THR A 31 100.296 0.643 -2.407 1.00 0.00 H new ATOM 0 HA THR A 31 101.704 1.799 -4.638 1.00 0.00 H new ATOM 0 HB THR A 31 99.824 0.012 -4.450 1.00 0.00 H new ATOM 0 HG1 THR A 31 99.206 0.609 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 31 97.588 0.860 -5.080 1.00 0.00 H new ATOM 0 HG22 THR A 31 98.084 1.368 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 31 98.163 2.521 -4.802 1.00 0.00 H new ATOM 307 N ALA A 32 99.794 3.656 -2.782 1.00 0.00 N ATOM 308 CA ALA A 32 99.356 5.024 -2.537 1.00 0.00 C ATOM 309 C ALA A 32 100.120 5.652 -1.374 1.00 0.00 C ATOM 310 O ALA A 32 99.648 6.603 -0.752 1.00 0.00 O ATOM 311 CB ALA A 32 97.859 5.055 -2.265 1.00 0.00 C ATOM 0 H ALA A 32 99.626 3.013 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 32 99.567 5.611 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 32 97.543 6.082 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 32 97.324 4.658 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.636 4.447 -1.389 1.00 0.00 H new ATOM 317 N ALA A 33 101.305 5.118 -1.087 1.00 0.00 N ATOM 318 CA ALA A 33 102.129 5.635 -0.002 1.00 0.00 C ATOM 319 C ALA A 33 103.123 6.668 -0.520 1.00 0.00 C ATOM 320 O ALA A 33 103.135 7.814 -0.069 1.00 0.00 O ATOM 321 CB ALA A 33 102.861 4.499 0.696 1.00 0.00 C ATOM 0 H ALA A 33 101.713 4.330 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 33 101.474 6.124 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 33 103.472 4.902 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 33 102.136 3.796 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 33 103.501 3.984 -0.021 1.00 0.00 H new ATOM 327 N GLN A 34 103.954 6.256 -1.472 1.00 0.00 N ATOM 328 CA GLN A 34 104.949 7.149 -2.054 1.00 0.00 C ATOM 329 C GLN A 34 104.287 8.385 -2.657 1.00 0.00 C ATOM 330 O GLN A 34 104.926 9.423 -2.825 1.00 0.00 O ATOM 331 CB GLN A 34 105.761 6.416 -3.124 1.00 0.00 C ATOM 332 CG GLN A 34 107.218 6.845 -3.180 1.00 0.00 C ATOM 333 CD GLN A 34 108.077 5.890 -3.986 1.00 0.00 C ATOM 334 OE1 GLN A 34 107.594 5.230 -4.906 1.00 0.00 O ATOM 335 NE2 GLN A 34 109.357 5.811 -3.642 1.00 0.00 N ATOM 0 H GLN A 34 103.958 5.311 -1.856 1.00 0.00 H new ATOM 0 HA GLN A 34 105.620 7.472 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 34 105.713 5.344 -2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 34 105.302 6.588 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 34 107.283 7.842 -3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.612 6.914 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 34 109.714 6.377 -2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 34 109.983 5.184 -4.147 1.00 0.00 H new ATOM 344 N ASN A 35 103.003 8.266 -2.976 1.00 0.00 N ATOM 345 CA ASN A 35 102.252 9.371 -3.554 1.00 0.00 C ATOM 346 C ASN A 35 101.874 10.384 -2.481 1.00 0.00 C ATOM 347 O ASN A 35 102.281 11.544 -2.535 1.00 0.00 O ATOM 348 CB ASN A 35 100.990 8.845 -4.234 1.00 0.00 C ATOM 349 CG ASN A 35 100.540 9.723 -5.383 1.00 0.00 C ATOM 350 OD1 ASN A 35 100.143 10.871 -5.185 1.00 0.00 O ATOM 351 ND2 ASN A 35 100.599 9.186 -6.598 1.00 0.00 N ATOM 0 H ASN A 35 102.461 7.412 -2.843 1.00 0.00 H new ATOM 0 HA ASN A 35 102.882 9.865 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 35 101.174 7.836 -4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.188 8.775 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 35 100.309 9.730 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 35 100.935 8.230 -6.717 1.00 0.00 H new ATOM 358 N LEU A 36 101.091 9.933 -1.507 1.00 0.00 N ATOM 359 CA LEU A 36 100.653 10.797 -0.417 1.00 0.00 C ATOM 360 C LEU A 36 101.846 11.340 0.363 1.00 0.00 C ATOM 361 O LEU A 36 101.827 12.479 0.831 1.00 0.00 O ATOM 362 CB LEU A 36 99.716 10.033 0.523 1.00 0.00 C ATOM 363 CG LEU A 36 100.384 8.945 1.364 1.00 0.00 C ATOM 364 CD1 LEU A 36 100.959 9.535 2.643 1.00 0.00 C ATOM 365 CD2 LEU A 36 99.390 7.837 1.684 1.00 0.00 C ATOM 0 H LEU A 36 100.747 8.975 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 36 100.114 11.640 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.239 10.747 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 36 98.925 9.576 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 36 101.204 8.517 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 36 101.430 8.745 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.701 10.293 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.158 9.990 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 36 99.881 7.070 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 36 98.550 8.251 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 36 99.026 7.395 0.756 1.00 0.00 H new ATOM 377 N TYR A 37 102.884 10.521 0.501 1.00 0.00 N ATOM 378 CA TYR A 37 104.085 10.927 1.224 1.00 0.00 C ATOM 379 C TYR A 37 104.851 12.008 0.465 1.00 0.00 C ATOM 380 O TYR A 37 105.759 12.635 1.011 1.00 0.00 O ATOM 381 CB TYR A 37 104.991 9.720 1.470 1.00 0.00 C ATOM 382 CG TYR A 37 105.757 9.794 2.772 1.00 0.00 C ATOM 383 CD1 TYR A 37 106.853 10.636 2.908 1.00 0.00 C ATOM 384 CD2 TYR A 37 105.384 9.021 3.865 1.00 0.00 C ATOM 385 CE1 TYR A 37 107.555 10.707 4.096 1.00 0.00 C ATOM 386 CE2 TYR A 37 106.081 9.086 5.056 1.00 0.00 C ATOM 387 CZ TYR A 37 107.165 9.930 5.166 1.00 0.00 C ATOM 388 OH TYR A 37 107.863 9.998 6.351 1.00 0.00 O ATOM 0 H TYR A 37 102.918 9.574 0.123 1.00 0.00 H new ATOM 0 HA TYR A 37 103.772 11.341 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 37 104.385 8.814 1.466 1.00 0.00 H new ATOM 0 HB3 TYR A 37 105.699 9.634 0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 37 107.162 11.245 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 37 104.535 8.358 3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 37 108.405 11.368 4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 37 105.778 8.479 5.896 1.00 0.00 H new ATOM 0 HH TYR A 37 107.459 9.389 7.004 1.00 0.00 H new ATOM 398 N GLU A 38 104.482 12.223 -0.793 1.00 0.00 N ATOM 399 CA GLU A 38 105.137 13.229 -1.620 1.00 0.00 C ATOM 400 C GLU A 38 104.284 14.493 -1.738 1.00 0.00 C ATOM 401 O GLU A 38 104.673 15.450 -2.408 1.00 0.00 O ATOM 402 CB GLU A 38 105.423 12.664 -3.013 1.00 0.00 C ATOM 403 CG GLU A 38 106.149 13.636 -3.927 1.00 0.00 C ATOM 404 CD GLU A 38 107.155 12.949 -4.829 1.00 0.00 C ATOM 405 OE1 GLU A 38 106.987 11.739 -5.093 1.00 0.00 O ATOM 406 OE2 GLU A 38 108.112 13.618 -5.272 1.00 0.00 O ATOM 0 H GLU A 38 103.733 11.714 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 38 106.078 13.496 -1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 38 106.020 11.758 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 38 104.481 12.375 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 38 105.420 14.166 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 38 106.661 14.384 -3.322 1.00 0.00 H new ATOM 413 N LYS A 39 103.123 14.495 -1.087 1.00 0.00 N ATOM 414 CA LYS A 39 102.228 15.646 -1.128 1.00 0.00 C ATOM 415 C LYS A 39 101.420 15.762 0.161 1.00 0.00 C ATOM 416 O LYS A 39 100.320 16.314 0.167 1.00 0.00 O ATOM 417 CB LYS A 39 101.284 15.539 -2.327 1.00 0.00 C ATOM 418 CG LYS A 39 100.963 16.878 -2.969 1.00 0.00 C ATOM 419 CD LYS A 39 100.766 16.743 -4.470 1.00 0.00 C ATOM 420 CE LYS A 39 100.155 18.000 -5.067 1.00 0.00 C ATOM 421 NZ LYS A 39 98.675 18.029 -4.908 1.00 0.00 N ATOM 0 H LYS A 39 102.782 13.714 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 39 102.839 16.543 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 39 101.733 14.885 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 39 100.355 15.067 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 39 100.061 17.292 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 39 101.771 17.582 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 101.725 16.541 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 39 100.121 15.889 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 39 100.589 18.877 -4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 39 100.407 18.058 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 98.298 18.902 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 98.258 17.206 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 98.434 17.999 -3.897 1.00 0.00 H new ATOM 435 N THR A 40 101.971 15.241 1.255 1.00 0.00 N ATOM 436 CA THR A 40 101.297 15.291 2.546 1.00 0.00 C ATOM 437 C THR A 40 102.232 15.817 3.628 1.00 0.00 C ATOM 438 O THR A 40 101.948 16.826 4.276 1.00 0.00 O ATOM 439 CB THR A 40 100.776 13.905 2.930 1.00 0.00 C ATOM 440 OG1 THR A 40 99.851 13.433 1.966 1.00 0.00 O ATOM 441 CG2 THR A 40 100.087 13.873 4.278 1.00 0.00 C ATOM 0 H THR A 40 102.881 14.781 1.271 1.00 0.00 H new ATOM 0 HA THR A 40 100.452 15.974 2.460 1.00 0.00 H new ATOM 0 HB THR A 40 101.660 13.269 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 40 100.335 13.129 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 40 99.743 12.860 4.487 1.00 0.00 H new ATOM 0 HG22 THR A 40 100.788 14.185 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 40 99.234 14.551 4.267 1.00 0.00 H new ATOM 449 N TYR A 41 103.345 15.125 3.817 1.00 0.00 N ATOM 450 CA TYR A 41 104.331 15.514 4.821 1.00 0.00 C ATOM 451 C TYR A 41 105.652 15.899 4.166 1.00 0.00 C ATOM 452 O TYR A 41 106.721 15.721 4.748 1.00 0.00 O ATOM 453 CB TYR A 41 104.555 14.373 5.813 1.00 0.00 C ATOM 454 CG TYR A 41 104.874 14.843 7.214 1.00 0.00 C ATOM 455 CD1 TYR A 41 104.109 15.827 7.828 1.00 0.00 C ATOM 456 CD2 TYR A 41 105.938 14.301 7.923 1.00 0.00 C ATOM 457 CE1 TYR A 41 104.398 16.259 9.109 1.00 0.00 C ATOM 458 CE2 TYR A 41 106.232 14.728 9.205 1.00 0.00 C ATOM 459 CZ TYR A 41 105.460 15.707 9.793 1.00 0.00 C ATOM 460 OH TYR A 41 105.749 16.133 11.068 1.00 0.00 O ATOM 0 H TYR A 41 103.591 14.288 3.288 1.00 0.00 H new ATOM 0 HA TYR A 41 103.945 16.382 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 41 103.662 13.748 5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 41 105.371 13.746 5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 41 103.275 16.261 7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 41 106.545 13.534 7.466 1.00 0.00 H new ATOM 0 HE1 TYR A 41 103.794 17.026 9.572 1.00 0.00 H new ATOM 0 HE2 TYR A 41 107.063 14.296 9.743 1.00 0.00 H new ATOM 0 HH TYR A 41 106.526 15.643 11.408 1.00 0.00 H new ATOM 470 N LEU A 42 105.567 16.428 2.950 1.00 0.00 N ATOM 471 CA LEU A 42 106.752 16.844 2.204 1.00 0.00 C ATOM 472 C LEU A 42 106.378 17.249 0.780 1.00 0.00 C ATOM 473 O LEU A 42 106.438 16.436 -0.142 1.00 0.00 O ATOM 474 CB LEU A 42 107.789 15.716 2.175 1.00 0.00 C ATOM 475 CG LEU A 42 109.004 15.930 3.078 1.00 0.00 C ATOM 476 CD1 LEU A 42 109.604 14.594 3.491 1.00 0.00 C ATOM 477 CD2 LEU A 42 110.043 16.789 2.376 1.00 0.00 C ATOM 0 H LEU A 42 104.687 16.580 2.457 1.00 0.00 H new ATOM 0 HA LEU A 42 107.186 17.708 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 42 107.300 14.786 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 42 108.136 15.588 1.150 1.00 0.00 H new ATOM 0 HG LEU A 42 108.678 16.452 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 42 110.468 14.766 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 42 108.859 14.012 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 42 109.916 14.045 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 42 110.901 16.932 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 42 110.365 16.294 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 42 109.609 17.758 2.131 1.00 0.00 H new ATOM 489 N PRO A 43 105.980 18.518 0.583 1.00 0.00 N ATOM 490 CA PRO A 43 105.587 19.033 -0.727 1.00 0.00 C ATOM 491 C PRO A 43 106.773 19.539 -1.548 1.00 0.00 C ATOM 492 O PRO A 43 106.657 20.525 -2.275 1.00 0.00 O ATOM 493 CB PRO A 43 104.664 20.190 -0.360 1.00 0.00 C ATOM 494 CG PRO A 43 105.222 20.721 0.919 1.00 0.00 C ATOM 495 CD PRO A 43 105.867 19.554 1.630 1.00 0.00 C ATOM 0 HA PRO A 43 105.130 18.266 -1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 43 104.657 20.954 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 43 103.635 19.853 -0.235 1.00 0.00 H new ATOM 0 HG2 PRO A 43 105.952 21.507 0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 43 104.435 21.160 1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 43 106.843 19.822 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 43 105.259 19.211 2.467 1.00 0.00 H new ATOM 503 N ALA A 44 107.910 18.861 -1.431 1.00 0.00 N ATOM 504 CA ALA A 44 109.108 19.250 -2.169 1.00 0.00 C ATOM 505 C ALA A 44 109.938 18.036 -2.567 1.00 0.00 C ATOM 506 O ALA A 44 111.108 18.169 -2.927 1.00 0.00 O ATOM 507 CB ALA A 44 109.943 20.219 -1.346 1.00 0.00 C ATOM 0 H ALA A 44 108.028 18.042 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 44 108.789 19.747 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 44 110.833 20.501 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 44 109.355 21.110 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 44 110.240 19.741 -0.412 1.00 0.00 H new ATOM 513 N VAL A 45 109.328 16.856 -2.524 1.00 0.00 N ATOM 514 CA VAL A 45 110.020 15.636 -2.906 1.00 0.00 C ATOM 515 C VAL A 45 110.098 15.552 -4.423 1.00 0.00 C ATOM 516 O VAL A 45 111.076 15.062 -4.983 1.00 0.00 O ATOM 517 CB VAL A 45 109.315 14.377 -2.369 1.00 0.00 C ATOM 518 CG1 VAL A 45 110.323 13.271 -2.104 1.00 0.00 C ATOM 519 CG2 VAL A 45 108.517 14.684 -1.110 1.00 0.00 C ATOM 0 H VAL A 45 108.361 16.721 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 45 111.018 15.674 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 45 108.617 14.036 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 45 109.805 12.390 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 45 110.838 13.019 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 45 111.050 13.610 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 45 108.031 13.775 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 45 109.187 15.062 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 45 107.760 15.436 -1.333 1.00 0.00 H new ATOM 529 N ASP A 46 109.060 16.053 -5.082 1.00 0.00 N ATOM 530 CA ASP A 46 109.013 16.058 -6.536 1.00 0.00 C ATOM 531 C ASP A 46 110.060 17.019 -7.089 1.00 0.00 C ATOM 532 O ASP A 46 110.489 16.894 -8.236 1.00 0.00 O ATOM 533 CB ASP A 46 107.620 16.461 -7.024 1.00 0.00 C ATOM 534 CG ASP A 46 106.608 15.342 -6.874 1.00 0.00 C ATOM 535 OD1 ASP A 46 106.885 14.222 -7.353 1.00 0.00 O ATOM 536 OD2 ASP A 46 105.539 15.585 -6.276 1.00 0.00 O ATOM 0 H ASP A 46 108.241 16.460 -4.631 1.00 0.00 H new ATOM 0 HA ASP A 46 109.230 15.052 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 46 107.280 17.332 -6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 46 107.677 16.758 -8.071 1.00 0.00 H new ATOM 541 N GLU A 47 110.473 17.977 -6.259 1.00 0.00 N ATOM 542 CA GLU A 47 111.477 18.954 -6.658 1.00 0.00 C ATOM 543 C GLU A 47 112.780 18.746 -5.887 1.00 0.00 C ATOM 544 O GLU A 47 113.711 19.543 -6.002 1.00 0.00 O ATOM 545 CB GLU A 47 110.955 20.373 -6.427 1.00 0.00 C ATOM 546 CG GLU A 47 110.230 20.958 -7.629 1.00 0.00 C ATOM 547 CD GLU A 47 110.537 22.428 -7.837 1.00 0.00 C ATOM 548 OE1 GLU A 47 110.281 23.225 -6.910 1.00 0.00 O ATOM 549 OE2 GLU A 47 111.033 22.782 -8.927 1.00 0.00 O ATOM 0 H GLU A 47 110.126 18.094 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 47 111.680 18.816 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 47 110.278 20.368 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 47 111.792 21.021 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 47 110.510 20.402 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 47 109.155 20.830 -7.498 1.00 0.00 H new ATOM 556 N LYS A 48 112.841 17.672 -5.101 1.00 0.00 N ATOM 557 CA LYS A 48 114.031 17.367 -4.316 1.00 0.00 C ATOM 558 C LYS A 48 114.452 15.916 -4.506 1.00 0.00 C ATOM 559 O LYS A 48 115.626 15.629 -4.741 1.00 0.00 O ATOM 560 CB LYS A 48 113.782 17.651 -2.835 1.00 0.00 C ATOM 561 CG LYS A 48 115.012 17.460 -1.963 1.00 0.00 C ATOM 562 CD LYS A 48 114.657 17.477 -0.484 1.00 0.00 C ATOM 563 CE LYS A 48 115.081 18.779 0.177 1.00 0.00 C ATOM 564 NZ LYS A 48 116.563 18.915 0.237 1.00 0.00 N ATOM 0 H LYS A 48 112.080 17.001 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 48 114.839 18.008 -4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 48 113.425 18.675 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 48 112.988 16.996 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 48 115.492 16.513 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 48 115.734 18.249 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 48 113.582 17.341 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 48 115.142 16.639 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 48 114.661 19.620 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 48 114.671 18.824 1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 116.846 19.214 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 117.005 18.000 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 116.875 19.627 -0.455 1.00 0.00 H new ATOM 578 N LEU A 49 113.492 15.000 -4.411 1.00 0.00 N ATOM 579 CA LEU A 49 113.785 13.580 -4.585 1.00 0.00 C ATOM 580 C LEU A 49 113.935 13.226 -6.065 1.00 0.00 C ATOM 581 O LEU A 49 114.219 12.078 -6.408 1.00 0.00 O ATOM 582 CB LEU A 49 112.685 12.725 -3.954 1.00 0.00 C ATOM 583 CG LEU A 49 112.824 11.217 -4.182 1.00 0.00 C ATOM 584 CD1 LEU A 49 112.530 10.453 -2.899 1.00 0.00 C ATOM 585 CD2 LEU A 49 111.899 10.760 -5.300 1.00 0.00 C ATOM 0 H LEU A 49 112.513 15.212 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 49 114.730 13.371 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 49 112.669 12.915 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 49 111.722 13.049 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 49 113.852 11.007 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 49 112.634 9.383 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 49 113.233 10.759 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 49 111.513 10.669 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 49 112.011 9.686 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 49 110.866 10.984 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 49 112.156 11.282 -6.221 1.00 0.00 H new ATOM 597 N ARG A 50 113.740 14.212 -6.939 1.00 0.00 N ATOM 598 CA ARG A 50 113.851 13.990 -8.374 1.00 0.00 C ATOM 599 C ARG A 50 115.034 14.753 -8.969 1.00 0.00 C ATOM 600 O ARG A 50 115.485 14.443 -10.071 1.00 0.00 O ATOM 601 CB ARG A 50 112.555 14.409 -9.074 1.00 0.00 C ATOM 602 CG ARG A 50 111.860 13.269 -9.801 1.00 0.00 C ATOM 603 CD ARG A 50 110.917 13.785 -10.877 1.00 0.00 C ATOM 604 NE ARG A 50 109.605 13.146 -10.809 1.00 0.00 N ATOM 605 CZ ARG A 50 108.515 13.628 -11.400 1.00 0.00 C ATOM 606 NH1 ARG A 50 108.573 14.751 -12.103 1.00 0.00 N ATOM 607 NH2 ARG A 50 107.360 12.984 -11.286 1.00 0.00 N ATOM 0 H ARG A 50 113.505 15.169 -6.676 1.00 0.00 H new ATOM 0 HA ARG A 50 114.022 12.925 -8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 50 111.872 14.828 -8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 50 112.777 15.202 -9.788 1.00 0.00 H new ATOM 0 HG2 ARG A 50 112.606 12.616 -10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 50 111.301 12.667 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 50 110.801 14.863 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 50 111.356 13.608 -11.859 1.00 0.00 H new ATOM 0 HE ARG A 50 109.520 12.280 -10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 50 109.457 15.251 -12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 50 107.733 15.115 -12.553 1.00 0.00 H new ATOM 0 HH21 ARG A 50 107.309 12.120 -10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 50 106.524 13.353 -11.739 1.00 0.00 H new ATOM 621 N ASP A 51 115.531 15.758 -8.247 1.00 0.00 N ATOM 622 CA ASP A 51 116.654 16.551 -8.739 1.00 0.00 C ATOM 623 C ASP A 51 117.690 16.809 -7.648 1.00 0.00 C ATOM 624 O ASP A 51 118.893 16.742 -7.900 1.00 0.00 O ATOM 625 CB ASP A 51 116.153 17.881 -9.305 1.00 0.00 C ATOM 626 CG ASP A 51 115.836 17.797 -10.785 1.00 0.00 C ATOM 627 OD1 ASP A 51 114.840 17.133 -11.141 1.00 0.00 O ATOM 628 OD2 ASP A 51 116.584 18.394 -11.588 1.00 0.00 O ATOM 0 H ASP A 51 115.178 16.038 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 51 117.138 15.977 -9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 51 115.260 18.190 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 51 116.908 18.650 -9.141 1.00 0.00 H new ATOM 633 N LEU A 52 117.224 17.108 -6.441 1.00 0.00 N ATOM 634 CA LEU A 52 118.127 17.379 -5.326 1.00 0.00 C ATOM 635 C LEU A 52 118.548 16.091 -4.619 1.00 0.00 C ATOM 636 O LEU A 52 119.088 16.130 -3.514 1.00 0.00 O ATOM 637 CB LEU A 52 117.469 18.334 -4.327 1.00 0.00 C ATOM 638 CG LEU A 52 118.391 19.418 -3.767 1.00 0.00 C ATOM 639 CD1 LEU A 52 117.582 20.612 -3.287 1.00 0.00 C ATOM 640 CD2 LEU A 52 119.244 18.859 -2.638 1.00 0.00 C ATOM 0 H LEU A 52 116.233 17.169 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 52 119.023 17.848 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 52 116.620 18.815 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 52 117.073 17.750 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 52 119.054 19.753 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.255 21.373 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 52 117.015 21.027 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 52 116.894 20.294 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 52 119.894 19.643 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.598 18.496 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.852 18.036 -3.014 1.00 0.00 H new ATOM 652 N TYR A 53 118.302 14.953 -5.260 1.00 0.00 N ATOM 653 CA TYR A 53 118.656 13.663 -4.692 1.00 0.00 C ATOM 654 C TYR A 53 119.273 12.760 -5.756 1.00 0.00 C ATOM 655 O TYR A 53 120.288 12.106 -5.518 1.00 0.00 O ATOM 656 CB TYR A 53 117.415 13.005 -4.094 1.00 0.00 C ATOM 657 CG TYR A 53 117.606 12.526 -2.673 1.00 0.00 C ATOM 658 CD1 TYR A 53 117.871 13.425 -1.648 1.00 0.00 C ATOM 659 CD2 TYR A 53 117.517 11.177 -2.356 1.00 0.00 C ATOM 660 CE1 TYR A 53 118.043 12.994 -0.346 1.00 0.00 C ATOM 661 CE2 TYR A 53 117.689 10.737 -1.056 1.00 0.00 C ATOM 662 CZ TYR A 53 117.951 11.649 -0.056 1.00 0.00 C ATOM 663 OH TYR A 53 118.121 11.216 1.239 1.00 0.00 O ATOM 0 H TYR A 53 117.857 14.901 -6.176 1.00 0.00 H new ATOM 0 HA TYR A 53 119.394 13.816 -3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 53 116.589 13.716 -4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 53 117.127 12.159 -4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 53 117.944 14.479 -1.872 1.00 0.00 H new ATOM 0 HD2 TYR A 53 117.310 10.460 -3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 53 118.248 13.706 0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 53 117.618 9.684 -0.826 1.00 0.00 H new ATOM 0 HH TYR A 53 117.654 10.363 1.363 1.00 0.00 H new ATOM 673 N SER A 54 118.652 12.736 -6.932 1.00 0.00 N ATOM 674 CA SER A 54 119.135 11.921 -8.042 1.00 0.00 C ATOM 675 C SER A 54 119.338 10.474 -7.617 1.00 0.00 C ATOM 676 O SER A 54 120.320 9.835 -7.998 1.00 0.00 O ATOM 677 CB SER A 54 120.444 12.494 -8.591 1.00 0.00 C ATOM 678 OG SER A 54 120.367 13.903 -8.724 1.00 0.00 O ATOM 0 H SER A 54 117.811 13.273 -7.141 1.00 0.00 H new ATOM 0 HA SER A 54 118.378 11.942 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 54 121.267 12.233 -7.925 1.00 0.00 H new ATOM 0 HB3 SER A 54 120.663 12.045 -9.560 1.00 0.00 H new ATOM 0 HG SER A 54 121.216 14.245 -9.075 1.00 0.00 H new ATOM 684 N LYS A 55 118.408 9.959 -6.819 1.00 0.00 N ATOM 685 CA LYS A 55 118.494 8.584 -6.338 1.00 0.00 C ATOM 686 C LYS A 55 119.847 8.325 -5.686 1.00 0.00 C ATOM 687 O LYS A 55 120.281 7.179 -5.570 1.00 0.00 O ATOM 688 CB LYS A 55 118.273 7.604 -7.492 1.00 0.00 C ATOM 689 CG LYS A 55 116.937 7.784 -8.195 1.00 0.00 C ATOM 690 CD LYS A 55 116.723 6.724 -9.263 1.00 0.00 C ATOM 691 CE LYS A 55 115.843 5.593 -8.757 1.00 0.00 C ATOM 692 NZ LYS A 55 116.645 4.421 -8.310 1.00 0.00 N ATOM 0 H LYS A 55 117.588 10.471 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 55 117.715 8.434 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 55 119.076 7.725 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 55 118.339 6.585 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 55 116.130 7.734 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.894 8.774 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 55 116.264 7.178 -10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 55 117.687 6.324 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 55 115.232 5.952 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 55 115.159 5.284 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 116.007 3.672 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.209 4.062 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 117.280 4.709 -7.538 1.00 0.00 H new ATOM 706 N SER A 56 120.510 9.397 -5.254 1.00 0.00 N ATOM 707 CA SER A 56 121.810 9.276 -4.607 1.00 0.00 C ATOM 708 C SER A 56 121.711 8.363 -3.394 1.00 0.00 C ATOM 709 O SER A 56 122.426 7.367 -3.290 1.00 0.00 O ATOM 710 CB SER A 56 122.327 10.654 -4.185 1.00 0.00 C ATOM 711 OG SER A 56 122.917 11.335 -5.280 1.00 0.00 O ATOM 0 H SER A 56 120.168 10.354 -5.341 1.00 0.00 H new ATOM 0 HA SER A 56 122.512 8.842 -5.319 1.00 0.00 H new ATOM 0 HB2 SER A 56 121.505 11.247 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 56 123.059 10.542 -3.385 1.00 0.00 H new ATOM 0 HG SER A 56 122.229 11.844 -5.758 1.00 0.00 H new ATOM 717 N THR A 57 120.807 8.709 -2.488 1.00 0.00 N ATOM 718 CA THR A 57 120.595 7.921 -1.283 1.00 0.00 C ATOM 719 C THR A 57 119.113 7.656 -1.050 1.00 0.00 C ATOM 720 O THR A 57 118.705 7.277 0.048 1.00 0.00 O ATOM 721 CB THR A 57 121.205 8.629 -0.078 1.00 0.00 C ATOM 722 OG1 THR A 57 121.299 7.750 1.028 1.00 0.00 O ATOM 723 CG2 THR A 57 120.430 9.852 0.366 1.00 0.00 C ATOM 0 H THR A 57 120.208 9.531 -2.565 1.00 0.00 H new ATOM 0 HA THR A 57 121.089 6.959 -1.416 1.00 0.00 H new ATOM 0 HB THR A 57 122.192 8.953 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.459 7.254 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 57 120.923 10.303 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.392 10.574 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 57 119.416 9.561 0.640 1.00 0.00 H new ATOM 731 N ALA A 58 118.315 7.837 -2.093 1.00 0.00 N ATOM 732 CA ALA A 58 116.884 7.593 -2.002 1.00 0.00 C ATOM 733 C ALA A 58 116.630 6.098 -1.964 1.00 0.00 C ATOM 734 O ALA A 58 115.895 5.598 -1.112 1.00 0.00 O ATOM 735 CB ALA A 58 116.153 8.237 -3.172 1.00 0.00 C ATOM 0 H ALA A 58 118.634 8.151 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 58 116.502 8.042 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 58 115.084 8.042 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 58 116.328 9.313 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 58 116.523 7.817 -4.108 1.00 0.00 H new ATOM 741 N ALA A 59 117.270 5.385 -2.883 1.00 0.00 N ATOM 742 CA ALA A 59 117.144 3.938 -2.949 1.00 0.00 C ATOM 743 C ALA A 59 118.017 3.280 -1.883 1.00 0.00 C ATOM 744 O ALA A 59 117.822 2.114 -1.542 1.00 0.00 O ATOM 745 CB ALA A 59 117.522 3.434 -4.334 1.00 0.00 C ATOM 0 H ALA A 59 117.882 5.788 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 59 116.105 3.671 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 59 117.422 2.349 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 59 116.861 3.881 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 59 118.554 3.710 -4.553 1.00 0.00 H new ATOM 751 N MET A 60 118.979 4.039 -1.352 1.00 0.00 N ATOM 752 CA MET A 60 119.871 3.528 -0.322 1.00 0.00 C ATOM 753 C MET A 60 119.301 3.788 1.070 1.00 0.00 C ATOM 754 O MET A 60 119.668 3.117 2.035 1.00 0.00 O ATOM 755 CB MET A 60 121.253 4.173 -0.448 1.00 0.00 C ATOM 756 CG MET A 60 122.394 3.249 -0.053 1.00 0.00 C ATOM 757 SD MET A 60 122.702 3.246 1.723 1.00 0.00 S ATOM 758 CE MET A 60 124.493 3.243 1.756 1.00 0.00 C ATOM 0 H MET A 60 119.156 5.007 -1.621 1.00 0.00 H new ATOM 0 HA MET A 60 119.966 2.451 -0.461 1.00 0.00 H new ATOM 0 HB2 MET A 60 121.400 4.499 -1.478 1.00 0.00 H new ATOM 0 HB3 MET A 60 121.287 5.066 0.177 1.00 0.00 H new ATOM 0 HG2 MET A 60 122.165 2.235 -0.380 1.00 0.00 H new ATOM 0 HG3 MET A 60 123.301 3.555 -0.575 1.00 0.00 H new ATOM 0 HE1 MET A 60 124.838 3.241 2.790 1.00 0.00 H new ATOM 0 HE2 MET A 60 124.865 2.353 1.248 1.00 0.00 H new ATOM 0 HE3 MET A 60 124.868 4.133 1.250 1.00 0.00 H new ATOM 768 N SER A 61 118.398 4.764 1.169 1.00 0.00 N ATOM 769 CA SER A 61 117.783 5.101 2.448 1.00 0.00 C ATOM 770 C SER A 61 116.479 4.334 2.657 1.00 0.00 C ATOM 771 O SER A 61 115.671 4.691 3.515 1.00 0.00 O ATOM 772 CB SER A 61 117.517 6.605 2.532 1.00 0.00 C ATOM 773 OG SER A 61 116.678 7.036 1.474 1.00 0.00 O ATOM 0 H SER A 61 118.079 5.330 0.383 1.00 0.00 H new ATOM 0 HA SER A 61 118.480 4.814 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 61 117.051 6.842 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 61 118.462 7.147 2.494 1.00 0.00 H new ATOM 0 HG SER A 61 117.192 7.064 0.640 1.00 0.00 H new ATOM 779 N THR A 62 116.283 3.272 1.881 1.00 0.00 N ATOM 780 CA THR A 62 115.084 2.455 1.996 1.00 0.00 C ATOM 781 C THR A 62 115.334 1.268 2.914 1.00 0.00 C ATOM 782 O THR A 62 114.395 0.623 3.382 1.00 0.00 O ATOM 783 CB THR A 62 114.635 1.958 0.625 1.00 0.00 C ATOM 784 OG1 THR A 62 115.477 2.459 -0.398 1.00 0.00 O ATOM 785 CG2 THR A 62 113.212 2.347 0.282 1.00 0.00 C ATOM 0 H THR A 62 116.940 2.959 1.167 1.00 0.00 H new ATOM 0 HA THR A 62 114.295 3.075 2.422 1.00 0.00 H new ATOM 0 HB THR A 62 114.694 0.871 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 62 116.290 1.914 -0.449 1.00 0.00 H new ATOM 0 HG21 THR A 62 112.958 1.962 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 62 112.531 1.926 1.022 1.00 0.00 H new ATOM 0 HG23 THR A 62 113.122 3.433 0.282 1.00 0.00 H new ATOM 793 N TYR A 63 116.609 0.987 3.173 1.00 0.00 N ATOM 794 CA TYR A 63 116.989 -0.118 4.041 1.00 0.00 C ATOM 795 C TYR A 63 116.167 -0.099 5.321 1.00 0.00 C ATOM 796 O TYR A 63 115.930 -1.138 5.936 1.00 0.00 O ATOM 797 CB TYR A 63 118.474 -0.045 4.378 1.00 0.00 C ATOM 798 CG TYR A 63 119.343 -0.911 3.495 1.00 0.00 C ATOM 799 CD1 TYR A 63 119.279 -0.810 2.111 1.00 0.00 C ATOM 800 CD2 TYR A 63 120.229 -1.829 4.046 1.00 0.00 C ATOM 801 CE1 TYR A 63 120.073 -1.600 1.301 1.00 0.00 C ATOM 802 CE2 TYR A 63 121.025 -2.622 3.242 1.00 0.00 C ATOM 803 CZ TYR A 63 120.944 -2.504 1.871 1.00 0.00 C ATOM 804 OH TYR A 63 121.737 -3.292 1.067 1.00 0.00 O ATOM 0 H TYR A 63 117.396 1.512 2.792 1.00 0.00 H new ATOM 0 HA TYR A 63 116.793 -1.050 3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 63 118.805 0.990 4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 63 118.616 -0.343 5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 63 118.598 -0.103 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 63 120.296 -1.924 5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 63 120.011 -1.510 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 63 121.708 -3.331 3.686 1.00 0.00 H new ATOM 0 HH TYR A 63 122.451 -3.693 1.605 1.00 0.00 H new ATOM 814 N THR A 64 115.718 1.092 5.710 1.00 0.00 N ATOM 815 CA THR A 64 114.903 1.240 6.908 1.00 0.00 C ATOM 816 C THR A 64 113.759 0.230 6.900 1.00 0.00 C ATOM 817 O THR A 64 113.269 -0.179 7.953 1.00 0.00 O ATOM 818 CB THR A 64 114.347 2.662 7.003 1.00 0.00 C ATOM 819 OG1 THR A 64 115.233 3.589 6.402 1.00 0.00 O ATOM 820 CG2 THR A 64 114.103 3.116 8.426 1.00 0.00 C ATOM 0 H THR A 64 115.905 1.964 5.214 1.00 0.00 H new ATOM 0 HA THR A 64 115.532 1.051 7.778 1.00 0.00 H new ATOM 0 HB THR A 64 113.391 2.633 6.479 1.00 0.00 H new ATOM 0 HG1 THR A 64 114.997 3.702 5.457 1.00 0.00 H new ATOM 0 HG21 THR A 64 113.709 4.132 8.421 1.00 0.00 H new ATOM 0 HG22 THR A 64 113.383 2.450 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 64 115.041 3.093 8.981 1.00 0.00 H new ATOM 828 N GLY A 65 113.345 -0.176 5.699 1.00 0.00 N ATOM 829 CA GLY A 65 112.270 -1.142 5.574 1.00 0.00 C ATOM 830 C GLY A 65 112.747 -2.482 5.041 1.00 0.00 C ATOM 831 O GLY A 65 111.979 -3.442 4.992 1.00 0.00 O ATOM 0 H GLY A 65 113.736 0.148 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 65 111.803 -1.288 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 65 111.504 -0.743 4.910 1.00 0.00 H new ATOM 835 N ILE A 66 114.017 -2.552 4.640 1.00 0.00 N ATOM 836 CA ILE A 66 114.581 -3.785 4.110 1.00 0.00 C ATOM 837 C ILE A 66 115.519 -4.444 5.119 1.00 0.00 C ATOM 838 O ILE A 66 115.918 -5.595 4.944 1.00 0.00 O ATOM 839 CB ILE A 66 115.355 -3.529 2.804 1.00 0.00 C ATOM 840 CG1 ILE A 66 114.604 -2.529 1.921 1.00 0.00 C ATOM 841 CG2 ILE A 66 115.585 -4.833 2.054 1.00 0.00 C ATOM 842 CD1 ILE A 66 115.341 -2.173 0.649 1.00 0.00 C ATOM 0 H ILE A 66 114.670 -1.769 4.674 1.00 0.00 H new ATOM 0 HA ILE A 66 113.744 -4.453 3.907 1.00 0.00 H new ATOM 0 HB ILE A 66 116.325 -3.103 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.630 -2.945 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.421 -1.619 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 66 116.133 -4.632 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.162 -5.515 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.624 -5.288 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.750 -1.461 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 66 116.304 -1.727 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 66 115.501 -3.074 0.057 1.00 0.00 H new ATOM 854 N PHE A 67 115.870 -3.712 6.179 1.00 0.00 N ATOM 855 CA PHE A 67 116.762 -4.233 7.213 1.00 0.00 C ATOM 856 C PHE A 67 116.385 -5.663 7.591 1.00 0.00 C ATOM 857 O PHE A 67 117.242 -6.468 7.955 1.00 0.00 O ATOM 858 CB PHE A 67 116.719 -3.333 8.451 1.00 0.00 C ATOM 859 CG PHE A 67 118.011 -2.612 8.714 1.00 0.00 C ATOM 860 CD1 PHE A 67 119.040 -3.235 9.401 1.00 0.00 C ATOM 861 CD2 PHE A 67 118.195 -1.311 8.273 1.00 0.00 C ATOM 862 CE1 PHE A 67 120.229 -2.575 9.644 1.00 0.00 C ATOM 863 CE2 PHE A 67 119.383 -0.646 8.513 1.00 0.00 C ATOM 864 CZ PHE A 67 120.401 -1.278 9.199 1.00 0.00 C ATOM 0 H PHE A 67 115.549 -2.758 6.342 1.00 0.00 H new ATOM 0 HA PHE A 67 117.776 -4.241 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 67 115.921 -2.600 8.330 1.00 0.00 H new ATOM 0 HB3 PHE A 67 116.466 -3.938 9.322 1.00 0.00 H new ATOM 0 HD1 PHE A 67 118.911 -4.249 9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 67 117.402 -0.812 7.736 1.00 0.00 H new ATOM 0 HE1 PHE A 67 121.023 -3.072 10.181 1.00 0.00 H new ATOM 0 HE2 PHE A 67 119.515 0.368 8.164 1.00 0.00 H new ATOM 0 HZ PHE A 67 121.330 -0.760 9.387 1.00 0.00 H new ATOM 874 N THR A 68 115.097 -5.972 7.491 1.00 0.00 N ATOM 875 CA THR A 68 114.603 -7.304 7.809 1.00 0.00 C ATOM 876 C THR A 68 114.299 -8.082 6.534 1.00 0.00 C ATOM 877 O THR A 68 114.338 -9.312 6.521 1.00 0.00 O ATOM 878 CB THR A 68 113.350 -7.216 8.681 1.00 0.00 C ATOM 879 OG1 THR A 68 113.544 -6.304 9.748 1.00 0.00 O ATOM 880 CG2 THR A 68 112.944 -8.545 9.281 1.00 0.00 C ATOM 0 H THR A 68 114.376 -5.316 7.191 1.00 0.00 H new ATOM 0 HA THR A 68 115.379 -7.832 8.363 1.00 0.00 H new ATOM 0 HB THR A 68 112.557 -6.879 8.013 1.00 0.00 H new ATOM 0 HG1 THR A 68 112.731 -6.261 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 68 112.048 -8.412 9.888 1.00 0.00 H new ATOM 0 HG22 THR A 68 112.738 -9.257 8.482 1.00 0.00 H new ATOM 0 HG23 THR A 68 113.753 -8.924 9.906 1.00 0.00 H new ATOM 888 N ASP A 69 114.003 -7.357 5.457 1.00 0.00 N ATOM 889 CA ASP A 69 113.702 -7.982 4.176 1.00 0.00 C ATOM 890 C ASP A 69 114.965 -8.584 3.570 1.00 0.00 C ATOM 891 O ASP A 69 114.927 -9.657 2.970 1.00 0.00 O ATOM 892 CB ASP A 69 113.092 -6.961 3.214 1.00 0.00 C ATOM 893 CG ASP A 69 111.971 -7.550 2.382 1.00 0.00 C ATOM 894 OD1 ASP A 69 111.226 -8.404 2.908 1.00 0.00 O ATOM 895 OD2 ASP A 69 111.838 -7.159 1.203 1.00 0.00 O ATOM 0 H ASP A 69 113.966 -6.338 5.448 1.00 0.00 H new ATOM 0 HA ASP A 69 112.979 -8.780 4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 69 112.712 -6.112 3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 69 113.870 -6.579 2.553 1.00 0.00 H new ATOM 900 N GLN A 70 116.083 -7.886 3.740 1.00 0.00 N ATOM 901 CA GLN A 70 117.361 -8.353 3.218 1.00 0.00 C ATOM 902 C GLN A 70 117.777 -9.648 3.907 1.00 0.00 C ATOM 903 O GLN A 70 118.438 -10.496 3.309 1.00 0.00 O ATOM 904 CB GLN A 70 118.439 -7.284 3.416 1.00 0.00 C ATOM 905 CG GLN A 70 118.627 -6.380 2.208 1.00 0.00 C ATOM 906 CD GLN A 70 120.049 -5.871 2.078 1.00 0.00 C ATOM 907 OE1 GLN A 70 120.782 -5.781 3.062 1.00 0.00 O ATOM 908 NE2 GLN A 70 120.446 -5.532 0.856 1.00 0.00 N ATOM 0 H GLN A 70 116.129 -6.995 4.235 1.00 0.00 H new ATOM 0 HA GLN A 70 117.247 -8.545 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 70 118.179 -6.673 4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 70 119.386 -7.773 3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 70 118.356 -6.926 1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 70 117.947 -5.532 2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 70 119.805 -5.623 0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 70 121.392 -5.181 0.706 1.00 0.00 H new ATOM 917 N VAL A 71 117.384 -9.792 5.170 1.00 0.00 N ATOM 918 CA VAL A 71 117.712 -10.981 5.942 1.00 0.00 C ATOM 919 C VAL A 71 116.697 -12.091 5.686 1.00 0.00 C ATOM 920 O VAL A 71 117.065 -13.252 5.501 1.00 0.00 O ATOM 921 CB VAL A 71 117.751 -10.663 7.448 1.00 0.00 C ATOM 922 CG1 VAL A 71 118.043 -11.917 8.263 1.00 0.00 C ATOM 923 CG2 VAL A 71 118.779 -9.581 7.737 1.00 0.00 C ATOM 0 H VAL A 71 116.837 -9.097 5.679 1.00 0.00 H new ATOM 0 HA VAL A 71 118.698 -11.318 5.623 1.00 0.00 H new ATOM 0 HB VAL A 71 116.769 -10.293 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 71 118.065 -11.665 9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 71 117.264 -12.658 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 71 119.009 -12.326 7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 71 118.793 -9.369 8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 71 119.765 -9.922 7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 71 118.517 -8.675 7.191 1.00 0.00 H new ATOM 933 N LEU A 72 115.421 -11.726 5.678 1.00 0.00 N ATOM 934 CA LEU A 72 114.350 -12.686 5.443 1.00 0.00 C ATOM 935 C LEU A 72 114.518 -13.370 4.088 1.00 0.00 C ATOM 936 O LEU A 72 114.052 -14.491 3.886 1.00 0.00 O ATOM 937 CB LEU A 72 112.987 -11.993 5.516 1.00 0.00 C ATOM 938 CG LEU A 72 112.152 -12.333 6.752 1.00 0.00 C ATOM 939 CD1 LEU A 72 111.081 -11.279 6.982 1.00 0.00 C ATOM 940 CD2 LEU A 72 111.525 -13.712 6.605 1.00 0.00 C ATOM 0 H LEU A 72 115.102 -10.769 5.832 1.00 0.00 H new ATOM 0 HA LEU A 72 114.402 -13.447 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 72 113.143 -10.915 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 72 112.415 -12.256 4.626 1.00 0.00 H new ATOM 0 HG LEU A 72 112.810 -12.344 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 72 110.498 -11.539 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 72 111.553 -10.308 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 72 110.423 -11.233 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 110.934 -13.939 7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 72 110.880 -13.727 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 72 112.311 -14.459 6.491 1.00 0.00 H new ATOM 952 N SER A 73 115.188 -12.688 3.165 1.00 0.00 N ATOM 953 CA SER A 73 115.419 -13.232 1.833 1.00 0.00 C ATOM 954 C SER A 73 116.543 -14.261 1.854 1.00 0.00 C ATOM 955 O SER A 73 116.606 -15.143 0.997 1.00 0.00 O ATOM 956 CB SER A 73 115.758 -12.110 0.851 1.00 0.00 C ATOM 957 OG SER A 73 114.711 -11.158 0.780 1.00 0.00 O ATOM 0 H SER A 73 115.580 -11.758 3.315 1.00 0.00 H new ATOM 0 HA SER A 73 114.504 -13.726 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 73 116.680 -11.618 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 73 115.938 -12.531 -0.138 1.00 0.00 H new ATOM 0 HG SER A 73 114.895 -10.423 1.401 1.00 0.00 H new ATOM 963 N VAL A 74 117.430 -14.147 2.839 1.00 0.00 N ATOM 964 CA VAL A 74 118.548 -15.073 2.969 1.00 0.00 C ATOM 965 C VAL A 74 118.048 -16.506 3.108 1.00 0.00 C ATOM 966 O VAL A 74 118.708 -17.449 2.673 1.00 0.00 O ATOM 967 CB VAL A 74 119.436 -14.716 4.177 1.00 0.00 C ATOM 968 CG1 VAL A 74 120.548 -15.741 4.358 1.00 0.00 C ATOM 969 CG2 VAL A 74 120.015 -13.322 4.009 1.00 0.00 C ATOM 0 H VAL A 74 117.395 -13.423 3.557 1.00 0.00 H new ATOM 0 HA VAL A 74 119.147 -14.988 2.062 1.00 0.00 H new ATOM 0 HB VAL A 74 118.817 -14.731 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 74 121.160 -15.466 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 74 120.112 -16.726 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 74 121.169 -15.766 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 74 120.640 -13.082 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 74 120.617 -13.285 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 74 119.204 -12.597 3.936 1.00 0.00 H new ATOM 979 N LEU A 75 116.870 -16.662 3.706 1.00 0.00 N ATOM 980 CA LEU A 75 116.279 -17.982 3.885 1.00 0.00 C ATOM 981 C LEU A 75 116.138 -18.690 2.540 1.00 0.00 C ATOM 982 O LEU A 75 116.090 -19.918 2.474 1.00 0.00 O ATOM 983 CB LEU A 75 114.910 -17.867 4.560 1.00 0.00 C ATOM 984 CG LEU A 75 114.552 -19.021 5.497 1.00 0.00 C ATOM 985 CD1 LEU A 75 113.665 -18.533 6.631 1.00 0.00 C ATOM 986 CD2 LEU A 75 113.868 -20.140 4.727 1.00 0.00 C ATOM 0 H LEU A 75 116.309 -15.893 4.073 1.00 0.00 H new ATOM 0 HA LEU A 75 116.939 -18.569 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 75 114.878 -16.936 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 75 114.145 -17.796 3.787 1.00 0.00 H new ATOM 0 HG LEU A 75 115.474 -19.413 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 75 113.421 -19.368 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 75 114.191 -17.766 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 75 112.747 -18.114 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 75 113.620 -20.953 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 75 112.955 -19.761 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 75 114.538 -20.510 3.951 1.00 0.00 H new ATOM 998 N LYS A 76 116.084 -17.902 1.468 1.00 0.00 N ATOM 999 CA LYS A 76 115.960 -18.445 0.122 1.00 0.00 C ATOM 1000 C LYS A 76 116.464 -17.444 -0.906 1.00 0.00 C ATOM 1001 O LYS A 76 115.854 -16.396 -1.123 1.00 0.00 O ATOM 1002 CB LYS A 76 114.508 -18.824 -0.176 1.00 0.00 C ATOM 1003 CG LYS A 76 114.088 -20.154 0.428 1.00 0.00 C ATOM 1004 CD LYS A 76 113.226 -19.957 1.666 1.00 0.00 C ATOM 1005 CE LYS A 76 111.849 -19.420 1.308 1.00 0.00 C ATOM 1006 NZ LYS A 76 111.413 -18.343 2.239 1.00 0.00 N ATOM 0 H LYS A 76 116.124 -16.884 1.508 1.00 0.00 H new ATOM 0 HA LYS A 76 116.572 -19.345 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.852 -18.040 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 76 114.367 -18.865 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 76 113.536 -20.733 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 76 114.974 -20.732 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 76 113.122 -20.906 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 76 113.721 -19.266 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 76 111.864 -19.034 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 76 111.125 -20.234 1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 110.470 -18.004 1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 111.374 -18.717 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 112.090 -17.554 2.199 1.00 0.00 H new ATOM 1020 N GLY A 77 117.591 -17.770 -1.522 1.00 0.00 N ATOM 1021 CA GLY A 77 118.182 -16.890 -2.508 1.00 0.00 C ATOM 1022 C GLY A 77 119.464 -16.260 -2.002 1.00 0.00 C ATOM 1023 O GLY A 77 120.173 -15.588 -2.750 1.00 0.00 O ATOM 0 H GLY A 77 118.109 -18.633 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 77 118.388 -17.451 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 77 117.470 -16.107 -2.770 1.00 0.00 H new ATOM 1027 N GLU A 78 119.762 -16.486 -0.720 1.00 0.00 N ATOM 1028 CA GLU A 78 120.968 -15.947 -0.099 1.00 0.00 C ATOM 1029 C GLU A 78 121.187 -14.487 -0.484 1.00 0.00 C ATOM 1030 O GLU A 78 122.322 -14.020 -0.571 1.00 0.00 O ATOM 1031 CB GLU A 78 122.175 -16.786 -0.502 1.00 0.00 C ATOM 1032 CG GLU A 78 123.459 -16.393 0.210 1.00 0.00 C ATOM 1033 CD GLU A 78 124.372 -17.577 0.463 1.00 0.00 C ATOM 1034 OE1 GLU A 78 124.650 -18.327 -0.497 1.00 0.00 O ATOM 1035 OE2 GLU A 78 124.808 -17.755 1.619 1.00 0.00 O ATOM 0 H GLU A 78 119.180 -17.041 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 78 120.843 -15.990 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 78 121.962 -17.835 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 78 122.325 -16.697 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 78 123.989 -15.652 -0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 78 123.213 -15.919 1.160 1.00 0.00 H new ATOM 1042 N GLU A 79 120.086 -13.773 -0.708 1.00 0.00 N ATOM 1043 CA GLU A 79 120.140 -12.362 -1.080 1.00 0.00 C ATOM 1044 C GLU A 79 121.208 -12.104 -2.142 1.00 0.00 C ATOM 1045 O GLU A 79 122.364 -11.828 -1.762 1.00 0.00 O ATOM 1046 CB GLU A 79 120.415 -11.512 0.157 1.00 0.00 C ATOM 1047 CG GLU A 79 120.365 -10.015 -0.108 1.00 0.00 C ATOM 1048 CD GLU A 79 121.373 -9.240 0.720 1.00 0.00 C ATOM 1049 OE1 GLU A 79 122.307 -9.869 1.262 1.00 0.00 O ATOM 1050 OE2 GLU A 79 121.230 -8.005 0.825 1.00 0.00 O ATOM 1051 OXT GLU A 79 120.875 -12.181 -3.344 1.00 0.00 O ATOM 0 H GLU A 79 119.141 -14.151 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 79 119.175 -12.086 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 79 119.685 -11.760 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 79 121.397 -11.770 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 79 120.552 -9.831 -1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 79 119.363 -9.645 0.108 1.00 0.00 H new TER 1058 GLU A 79