USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 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 -49:sc= 0.873 USER MOD Set 1.2: A 70 GLN : amide:sc= -0.248 K(o=0.62,f=2.5) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 13 THR OG1 : rot 28:sc= 0.0534 USER MOD Single : A 16 THR OG1 : rot 109:sc= 1.29 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.032) 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 -116:sc= 1.23 USER MOD Single : A 24 SER OG : rot 180:sc= 0 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 61:sc= 1.17 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.326 X(o=-0.33,f=0) 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 180:sc= -0.115 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= -0.0866 (180deg=-0.744) USER MOD Single : A 53 TYR OH : rot 150:sc= -0.816 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 60 MET CE :methyl -171:sc= -1.12 (180deg=-1.22) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -83:sc= -0.442 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00736 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -97:sc= -0.268 USER MOD Single : A 76 LYS NZ :NH3+ -167:sc=-0.00594 (180deg=-0.281) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 86.874 -16.855 9.911 1.00 0.00 N ATOM 2 CA THR A 13 85.964 -16.605 11.060 1.00 0.00 C ATOM 3 C THR A 13 86.587 -15.620 12.049 1.00 0.00 C ATOM 4 O THR A 13 86.382 -14.411 11.943 1.00 0.00 O ATOM 5 CB THR A 13 85.662 -17.944 11.737 1.00 0.00 C ATOM 6 OG1 THR A 13 84.972 -18.809 10.851 1.00 0.00 O ATOM 7 CG2 THR A 13 84.823 -17.811 12.991 1.00 0.00 C ATOM 0 HA THR A 13 85.037 -16.156 10.703 1.00 0.00 H new ATOM 0 HB THR A 13 86.635 -18.351 12.013 1.00 0.00 H new ATOM 0 HG1 THR A 13 85.213 -18.590 9.927 1.00 0.00 H new ATOM 0 HG21 THR A 13 84.648 -18.798 13.418 1.00 0.00 H new ATOM 0 HG22 THR A 13 85.349 -17.190 13.716 1.00 0.00 H new ATOM 0 HG23 THR A 13 83.868 -17.349 12.742 1.00 0.00 H new ATOM 15 N PHE A 14 87.355 -16.139 13.005 1.00 0.00 N ATOM 16 CA PHE A 14 88.008 -15.296 13.996 1.00 0.00 C ATOM 17 C PHE A 14 89.234 -14.621 13.392 1.00 0.00 C ATOM 18 O PHE A 14 89.658 -13.556 13.846 1.00 0.00 O ATOM 19 CB PHE A 14 88.410 -16.125 15.219 1.00 0.00 C ATOM 20 CG PHE A 14 87.592 -15.825 16.442 1.00 0.00 C ATOM 21 CD1 PHE A 14 86.227 -16.067 16.455 1.00 0.00 C ATOM 22 CD2 PHE A 14 88.187 -15.303 17.578 1.00 0.00 C ATOM 23 CE1 PHE A 14 85.472 -15.792 17.579 1.00 0.00 C ATOM 24 CE2 PHE A 14 87.436 -15.025 18.705 1.00 0.00 C ATOM 25 CZ PHE A 14 86.077 -15.271 18.705 1.00 0.00 C ATOM 0 H PHE A 14 87.538 -17.137 13.112 1.00 0.00 H new ATOM 0 HA PHE A 14 87.305 -14.525 14.312 1.00 0.00 H new ATOM 0 HB2 PHE A 14 88.314 -17.184 14.978 1.00 0.00 H new ATOM 0 HB3 PHE A 14 89.461 -15.943 15.441 1.00 0.00 H new ATOM 0 HD1 PHE A 14 85.749 -16.475 15.577 1.00 0.00 H new ATOM 0 HD2 PHE A 14 89.250 -15.111 17.584 1.00 0.00 H new ATOM 0 HE1 PHE A 14 84.409 -15.985 17.577 1.00 0.00 H new ATOM 0 HE2 PHE A 14 87.911 -14.616 19.584 1.00 0.00 H new ATOM 0 HZ PHE A 14 85.489 -15.056 19.585 1.00 0.00 H new ATOM 35 N LEU A 15 89.797 -15.245 12.362 1.00 0.00 N ATOM 36 CA LEU A 15 90.971 -14.704 11.689 1.00 0.00 C ATOM 37 C LEU A 15 90.568 -13.662 10.650 1.00 0.00 C ATOM 38 O LEU A 15 91.341 -12.759 10.329 1.00 0.00 O ATOM 39 CB LEU A 15 91.766 -15.828 11.019 1.00 0.00 C ATOM 40 CG LEU A 15 90.940 -16.774 10.146 1.00 0.00 C ATOM 41 CD1 LEU A 15 91.714 -17.162 8.895 1.00 0.00 C ATOM 42 CD2 LEU A 15 90.543 -18.014 10.934 1.00 0.00 C ATOM 0 H LEU A 15 89.458 -16.126 11.976 1.00 0.00 H new ATOM 0 HA LEU A 15 91.599 -14.222 12.438 1.00 0.00 H new ATOM 0 HB2 LEU A 15 92.549 -15.383 10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 15 92.262 -16.413 11.793 1.00 0.00 H new ATOM 0 HG LEU A 15 90.032 -16.254 9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 15 91.109 -17.835 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 15 91.949 -16.266 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 15 92.639 -17.663 9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 15 89.956 -18.677 10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 15 91.440 -18.534 11.270 1.00 0.00 H new ATOM 0 HD23 LEU A 15 89.948 -17.720 11.799 1.00 0.00 H new ATOM 54 N THR A 16 89.350 -13.790 10.129 1.00 0.00 N ATOM 55 CA THR A 16 88.846 -12.857 9.128 1.00 0.00 C ATOM 56 C THR A 16 88.596 -11.484 9.740 1.00 0.00 C ATOM 57 O THR A 16 88.697 -10.466 9.057 1.00 0.00 O ATOM 58 CB THR A 16 87.557 -13.392 8.502 1.00 0.00 C ATOM 59 OG1 THR A 16 87.690 -14.766 8.180 1.00 0.00 O ATOM 60 CG2 THR A 16 87.157 -12.661 7.239 1.00 0.00 C ATOM 0 H THR A 16 88.696 -14.530 10.384 1.00 0.00 H new ATOM 0 HA THR A 16 89.603 -12.756 8.351 1.00 0.00 H new ATOM 0 HB THR A 16 86.783 -13.235 9.253 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.142 -15.300 8.793 1.00 0.00 H new ATOM 0 HG21 THR A 16 86.235 -13.090 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 16 86.999 -11.606 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 16 87.948 -12.759 6.496 1.00 0.00 H new ATOM 68 N GLN A 17 88.279 -11.459 11.031 1.00 0.00 N ATOM 69 CA GLN A 17 88.027 -10.202 11.719 1.00 0.00 C ATOM 70 C GLN A 17 89.283 -9.332 11.701 1.00 0.00 C ATOM 71 O GLN A 17 89.242 -8.176 11.281 1.00 0.00 O ATOM 72 CB GLN A 17 87.552 -10.460 13.157 1.00 0.00 C ATOM 73 CG GLN A 17 88.610 -10.221 14.225 1.00 0.00 C ATOM 74 CD GLN A 17 88.020 -10.109 15.618 1.00 0.00 C ATOM 75 OE1 GLN A 17 87.164 -9.263 15.875 1.00 0.00 O ATOM 76 NE2 GLN A 17 88.478 -10.963 16.526 1.00 0.00 N ATOM 0 H GLN A 17 88.191 -12.290 11.616 1.00 0.00 H new ATOM 0 HA GLN A 17 87.234 -9.667 11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 17 86.695 -9.819 13.363 1.00 0.00 H new ATOM 0 HB3 GLN A 17 87.205 -11.491 13.232 1.00 0.00 H new ATOM 0 HG2 GLN A 17 89.332 -11.038 14.205 1.00 0.00 H new ATOM 0 HG3 GLN A 17 89.156 -9.307 13.992 1.00 0.00 H new ATOM 0 HE21 GLN A 17 89.188 -11.648 16.269 1.00 0.00 H new ATOM 0 HE22 GLN A 17 88.119 -10.934 17.480 1.00 0.00 H new ATOM 85 N VAL A 18 90.401 -9.901 12.151 1.00 0.00 N ATOM 86 CA VAL A 18 91.662 -9.173 12.172 1.00 0.00 C ATOM 87 C VAL A 18 92.051 -8.792 10.757 1.00 0.00 C ATOM 88 O VAL A 18 92.611 -7.722 10.521 1.00 0.00 O ATOM 89 CB VAL A 18 92.812 -9.986 12.800 1.00 0.00 C ATOM 90 CG1 VAL A 18 93.873 -9.055 13.364 1.00 0.00 C ATOM 91 CG2 VAL A 18 92.297 -10.929 13.879 1.00 0.00 C ATOM 0 H VAL A 18 90.456 -10.857 12.503 1.00 0.00 H new ATOM 0 HA VAL A 18 91.506 -8.288 12.789 1.00 0.00 H new ATOM 0 HB VAL A 18 93.263 -10.594 12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 18 94.678 -9.644 13.804 1.00 0.00 H new ATOM 0 HG12 VAL A 18 94.274 -8.433 12.564 1.00 0.00 H new ATOM 0 HG13 VAL A 18 93.429 -8.419 14.130 1.00 0.00 H new ATOM 0 HG21 VAL A 18 93.132 -11.488 14.302 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.811 -10.351 14.665 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.579 -11.624 13.443 1.00 0.00 H new ATOM 101 N LYS A 19 91.731 -9.669 9.812 1.00 0.00 N ATOM 102 CA LYS A 19 92.027 -9.413 8.411 1.00 0.00 C ATOM 103 C LYS A 19 91.412 -8.087 7.988 1.00 0.00 C ATOM 104 O LYS A 19 91.896 -7.432 7.065 1.00 0.00 O ATOM 105 CB LYS A 19 91.494 -10.548 7.534 1.00 0.00 C ATOM 106 CG LYS A 19 92.507 -11.656 7.293 1.00 0.00 C ATOM 107 CD LYS A 19 92.754 -11.877 5.809 1.00 0.00 C ATOM 108 CE LYS A 19 94.019 -11.174 5.344 1.00 0.00 C ATOM 109 NZ LYS A 19 93.728 -9.839 4.753 1.00 0.00 N ATOM 0 H LYS A 19 91.268 -10.560 9.992 1.00 0.00 H new ATOM 0 HA LYS A 19 93.108 -9.361 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 19 90.607 -10.973 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 19 91.181 -10.138 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 19 93.446 -11.404 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 19 92.149 -12.581 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 19 92.835 -12.945 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 19 91.901 -11.509 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 19 94.700 -11.057 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 19 94.529 -11.794 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 94.617 -9.393 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 93.099 -9.952 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 93.265 -9.238 5.464 1.00 0.00 H new ATOM 123 N GLU A 20 90.351 -7.687 8.686 1.00 0.00 N ATOM 124 CA GLU A 20 89.686 -6.424 8.395 1.00 0.00 C ATOM 125 C GLU A 20 90.479 -5.263 8.989 1.00 0.00 C ATOM 126 O GLU A 20 90.367 -4.124 8.538 1.00 0.00 O ATOM 127 CB GLU A 20 88.264 -6.427 8.955 1.00 0.00 C ATOM 128 CG GLU A 20 87.394 -7.545 8.403 1.00 0.00 C ATOM 129 CD GLU A 20 86.511 -7.085 7.260 1.00 0.00 C ATOM 130 OE1 GLU A 20 85.743 -6.120 7.454 1.00 0.00 O ATOM 131 OE2 GLU A 20 86.588 -7.690 6.169 1.00 0.00 O ATOM 0 H GLU A 20 89.937 -8.218 9.452 1.00 0.00 H new ATOM 0 HA GLU A 20 89.634 -6.301 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.310 -6.516 10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.793 -5.469 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 20 88.031 -8.360 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 20 86.769 -7.943 9.203 1.00 0.00 H new ATOM 138 N SER A 21 91.282 -5.568 10.007 1.00 0.00 N ATOM 139 CA SER A 21 92.098 -4.567 10.673 1.00 0.00 C ATOM 140 C SER A 21 93.515 -4.560 10.111 1.00 0.00 C ATOM 141 O SER A 21 94.019 -3.517 9.695 1.00 0.00 O ATOM 142 CB SER A 21 92.144 -4.851 12.167 1.00 0.00 C ATOM 143 OG SER A 21 91.539 -3.805 12.909 1.00 0.00 O ATOM 0 H SER A 21 91.382 -6.509 10.387 1.00 0.00 H new ATOM 0 HA SER A 21 91.651 -3.588 10.499 1.00 0.00 H new ATOM 0 HB2 SER A 21 91.633 -5.791 12.377 1.00 0.00 H new ATOM 0 HB3 SER A 21 93.180 -4.973 12.484 1.00 0.00 H new ATOM 0 HG SER A 21 91.582 -4.015 13.865 1.00 0.00 H new ATOM 149 N LEU A 22 94.157 -5.729 10.095 1.00 0.00 N ATOM 150 CA LEU A 22 95.514 -5.834 9.572 1.00 0.00 C ATOM 151 C LEU A 22 95.560 -5.389 8.115 1.00 0.00 C ATOM 152 O LEU A 22 96.619 -5.055 7.588 1.00 0.00 O ATOM 153 CB LEU A 22 96.032 -7.267 9.704 1.00 0.00 C ATOM 154 CG LEU A 22 95.341 -8.290 8.803 1.00 0.00 C ATOM 155 CD1 LEU A 22 96.083 -8.427 7.482 1.00 0.00 C ATOM 156 CD2 LEU A 22 95.243 -9.637 9.503 1.00 0.00 C ATOM 0 H LEU A 22 93.762 -6.606 10.435 1.00 0.00 H new ATOM 0 HA LEU A 22 96.158 -5.178 10.157 1.00 0.00 H new ATOM 0 HB2 LEU A 22 97.099 -7.273 9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 22 95.919 -7.584 10.741 1.00 0.00 H new ATOM 0 HG LEU A 22 94.331 -7.937 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 22 95.576 -9.160 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 22 96.101 -7.463 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 22 97.105 -8.756 7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 22 94.748 -10.353 8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 22 96.244 -9.996 9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 22 94.667 -9.529 10.422 1.00 0.00 H new ATOM 168 N SER A 23 94.395 -5.381 7.474 1.00 0.00 N ATOM 169 CA SER A 23 94.290 -4.968 6.081 1.00 0.00 C ATOM 170 C SER A 23 93.686 -3.569 5.969 1.00 0.00 C ATOM 171 O SER A 23 93.724 -2.954 4.903 1.00 0.00 O ATOM 172 CB SER A 23 93.446 -5.969 5.290 1.00 0.00 C ATOM 173 OG SER A 23 92.067 -5.649 5.365 1.00 0.00 O ATOM 0 H SER A 23 93.510 -5.657 7.899 1.00 0.00 H new ATOM 0 HA SER A 23 95.295 -4.942 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 23 93.765 -5.974 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 23 93.610 -6.974 5.678 1.00 0.00 H new ATOM 0 HG SER A 23 91.589 -6.369 5.828 1.00 0.00 H new ATOM 179 N SER A 24 93.128 -3.066 7.071 1.00 0.00 N ATOM 180 CA SER A 24 92.523 -1.739 7.075 1.00 0.00 C ATOM 181 C SER A 24 93.553 -0.661 6.751 1.00 0.00 C ATOM 182 O SER A 24 93.200 0.447 6.352 1.00 0.00 O ATOM 183 CB SER A 24 91.868 -1.452 8.427 1.00 0.00 C ATOM 184 OG SER A 24 90.616 -0.807 8.261 1.00 0.00 O ATOM 0 H SER A 24 93.084 -3.555 7.965 1.00 0.00 H new ATOM 0 HA SER A 24 91.757 -1.721 6.300 1.00 0.00 H new ATOM 0 HB2 SER A 24 91.730 -2.385 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 24 92.527 -0.825 9.028 1.00 0.00 H new ATOM 0 HG SER A 24 90.217 -0.636 9.140 1.00 0.00 H new ATOM 190 N TYR A 25 94.827 -0.999 6.909 1.00 0.00 N ATOM 191 CA TYR A 25 95.906 -0.067 6.613 1.00 0.00 C ATOM 192 C TYR A 25 96.506 -0.382 5.251 1.00 0.00 C ATOM 193 O TYR A 25 97.239 0.425 4.679 1.00 0.00 O ATOM 194 CB TYR A 25 96.984 -0.131 7.698 1.00 0.00 C ATOM 195 CG TYR A 25 97.422 1.228 8.197 1.00 0.00 C ATOM 196 CD1 TYR A 25 98.423 1.939 7.547 1.00 0.00 C ATOM 197 CD2 TYR A 25 96.833 1.800 9.318 1.00 0.00 C ATOM 198 CE1 TYR A 25 98.826 3.181 8.000 1.00 0.00 C ATOM 199 CE2 TYR A 25 97.230 3.042 9.777 1.00 0.00 C ATOM 200 CZ TYR A 25 98.226 3.728 9.115 1.00 0.00 C ATOM 201 OH TYR A 25 98.625 4.965 9.568 1.00 0.00 O ATOM 0 H TYR A 25 95.137 -1.912 7.241 1.00 0.00 H new ATOM 0 HA TYR A 25 95.499 0.944 6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 25 96.607 -0.713 8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 25 97.852 -0.662 7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 25 98.894 1.514 6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 25 96.052 1.266 9.839 1.00 0.00 H new ATOM 0 HE1 TYR A 25 99.606 3.720 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 25 96.762 3.473 10.650 1.00 0.00 H new ATOM 0 HH TYR A 25 98.103 5.207 10.361 1.00 0.00 H new ATOM 211 N TRP A 26 96.164 -1.553 4.724 1.00 0.00 N ATOM 212 CA TRP A 26 96.639 -1.970 3.416 1.00 0.00 C ATOM 213 C TRP A 26 95.654 -1.513 2.352 1.00 0.00 C ATOM 214 O TRP A 26 96.015 -1.318 1.191 1.00 0.00 O ATOM 215 CB TRP A 26 96.808 -3.490 3.364 1.00 0.00 C ATOM 216 CG TRP A 26 97.350 -3.983 2.057 1.00 0.00 C ATOM 217 CD1 TRP A 26 96.637 -4.268 0.928 1.00 0.00 C ATOM 218 CD2 TRP A 26 98.722 -4.252 1.744 1.00 0.00 C ATOM 219 NE1 TRP A 26 97.481 -4.696 -0.067 1.00 0.00 N ATOM 220 CE2 TRP A 26 98.765 -4.695 0.408 1.00 0.00 C ATOM 221 CE3 TRP A 26 99.918 -4.160 2.462 1.00 0.00 C ATOM 222 CZ2 TRP A 26 99.958 -5.045 -0.221 1.00 0.00 C ATOM 223 CZ3 TRP A 26 101.099 -4.507 1.836 1.00 0.00 C ATOM 224 CH2 TRP A 26 101.112 -4.945 0.506 1.00 0.00 C ATOM 0 H TRP A 26 95.557 -2.230 5.187 1.00 0.00 H new ATOM 0 HA TRP A 26 97.611 -1.514 3.229 1.00 0.00 H new ATOM 0 HB2 TRP A 26 97.476 -3.802 4.167 1.00 0.00 H new ATOM 0 HB3 TRP A 26 95.843 -3.962 3.550 1.00 0.00 H new ATOM 0 HD1 TRP A 26 95.566 -4.171 0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 26 97.197 -4.970 -1.008 1.00 0.00 H new ATOM 0 HE3 TRP A 26 99.918 -3.823 3.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 99.971 -5.383 -1.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 102.029 -4.439 2.382 1.00 0.00 H new ATOM 0 HH2 TRP A 26 102.052 -5.209 0.045 1.00 0.00 H new ATOM 235 N GLU A 27 94.403 -1.326 2.768 1.00 0.00 N ATOM 236 CA GLU A 27 93.358 -0.871 1.866 1.00 0.00 C ATOM 237 C GLU A 27 93.393 0.647 1.728 1.00 0.00 C ATOM 238 O GLU A 27 92.902 1.203 0.747 1.00 0.00 O ATOM 239 CB GLU A 27 91.984 -1.322 2.368 1.00 0.00 C ATOM 240 CG GLU A 27 91.018 -1.687 1.253 1.00 0.00 C ATOM 241 CD GLU A 27 89.625 -1.135 1.485 1.00 0.00 C ATOM 242 OE1 GLU A 27 89.447 0.096 1.372 1.00 0.00 O ATOM 243 OE2 GLU A 27 88.711 -1.934 1.778 1.00 0.00 O ATOM 0 H GLU A 27 94.092 -1.484 3.727 1.00 0.00 H new ATOM 0 HA GLU A 27 93.536 -1.314 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 27 92.111 -2.183 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 27 91.547 -0.525 2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 27 91.402 -1.308 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 27 90.965 -2.772 1.164 1.00 0.00 H new ATOM 250 N SER A 28 93.986 1.311 2.716 1.00 0.00 N ATOM 251 CA SER A 28 94.096 2.761 2.702 1.00 0.00 C ATOM 252 C SER A 28 95.214 3.197 1.775 1.00 0.00 C ATOM 253 O SER A 28 95.040 4.091 0.946 1.00 0.00 O ATOM 254 CB SER A 28 94.353 3.283 4.113 1.00 0.00 C ATOM 255 OG SER A 28 93.937 4.631 4.246 1.00 0.00 O ATOM 0 H SER A 28 94.397 0.865 3.536 1.00 0.00 H new ATOM 0 HA SER A 28 93.157 3.177 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 28 93.822 2.663 4.835 1.00 0.00 H new ATOM 0 HB3 SER A 28 95.415 3.203 4.345 1.00 0.00 H new ATOM 0 HG SER A 28 94.112 4.939 5.160 1.00 0.00 H new ATOM 261 N ALA A 29 96.361 2.547 1.908 1.00 0.00 N ATOM 262 CA ALA A 29 97.510 2.855 1.067 1.00 0.00 C ATOM 263 C ALA A 29 97.104 2.850 -0.402 1.00 0.00 C ATOM 264 O ALA A 29 97.678 3.567 -1.222 1.00 0.00 O ATOM 265 CB ALA A 29 98.635 1.860 1.315 1.00 0.00 C ATOM 0 H ALA A 29 96.521 1.804 2.589 1.00 0.00 H new ATOM 0 HA ALA A 29 97.872 3.851 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.485 2.106 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 29 98.939 1.908 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 29 98.288 0.853 1.084 1.00 0.00 H new ATOM 271 N LYS A 30 96.092 2.047 -0.718 1.00 0.00 N ATOM 272 CA LYS A 30 95.583 1.955 -2.077 1.00 0.00 C ATOM 273 C LYS A 30 94.567 3.063 -2.331 1.00 0.00 C ATOM 274 O LYS A 30 94.424 3.541 -3.457 1.00 0.00 O ATOM 275 CB LYS A 30 94.940 0.588 -2.315 1.00 0.00 C ATOM 276 CG LYS A 30 95.129 0.065 -3.730 1.00 0.00 C ATOM 277 CD LYS A 30 94.932 -1.440 -3.799 1.00 0.00 C ATOM 278 CE LYS A 30 94.294 -1.860 -5.114 1.00 0.00 C ATOM 279 NZ LYS A 30 94.844 -3.151 -5.611 1.00 0.00 N ATOM 0 H LYS A 30 95.609 1.450 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 30 96.416 2.072 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 30 95.362 -0.130 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 30 93.873 0.655 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 30 94.422 0.556 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 30 96.129 0.319 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 30 95.894 -1.939 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 30 94.304 -1.764 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 30 93.216 -1.952 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 30 94.458 -1.084 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 94.383 -3.402 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 95.869 -3.057 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 94.665 -3.898 -4.910 1.00 0.00 H new ATOM 293 N THR A 31 93.869 3.475 -1.273 1.00 0.00 N ATOM 294 CA THR A 31 92.876 4.534 -1.384 1.00 0.00 C ATOM 295 C THR A 31 93.535 5.840 -1.809 1.00 0.00 C ATOM 296 O THR A 31 92.935 6.650 -2.517 1.00 0.00 O ATOM 297 CB THR A 31 92.149 4.723 -0.051 1.00 0.00 C ATOM 298 OG1 THR A 31 91.546 3.513 0.368 1.00 0.00 O ATOM 299 CG2 THR A 31 91.068 5.781 -0.104 1.00 0.00 C ATOM 0 H THR A 31 93.975 3.091 -0.334 1.00 0.00 H new ATOM 0 HA THR A 31 92.149 4.246 -2.144 1.00 0.00 H new ATOM 0 HB THR A 31 92.916 5.045 0.653 1.00 0.00 H new ATOM 0 HG1 THR A 31 92.237 2.830 0.497 1.00 0.00 H new ATOM 0 HG21 THR A 31 90.592 5.864 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 31 91.510 6.740 -0.375 1.00 0.00 H new ATOM 0 HG23 THR A 31 90.322 5.502 -0.848 1.00 0.00 H new ATOM 307 N ALA A 32 94.777 6.038 -1.376 1.00 0.00 N ATOM 308 CA ALA A 32 95.521 7.245 -1.716 1.00 0.00 C ATOM 309 C ALA A 32 96.510 6.982 -2.848 1.00 0.00 C ATOM 310 O ALA A 32 97.460 7.739 -3.041 1.00 0.00 O ATOM 311 CB ALA A 32 96.245 7.782 -0.492 1.00 0.00 C ATOM 0 H ALA A 32 95.288 5.378 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 32 94.809 7.995 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 32 96.796 8.683 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 32 95.519 8.020 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 32 96.940 7.029 -0.121 1.00 0.00 H new ATOM 317 N ALA A 33 96.275 5.911 -3.599 1.00 0.00 N ATOM 318 CA ALA A 33 97.141 5.560 -4.716 1.00 0.00 C ATOM 319 C ALA A 33 96.447 5.856 -6.039 1.00 0.00 C ATOM 320 O ALA A 33 97.049 6.409 -6.958 1.00 0.00 O ATOM 321 CB ALA A 33 97.542 4.095 -4.639 1.00 0.00 C ATOM 0 H ALA A 33 95.493 5.273 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 33 98.045 6.167 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 33 98.189 3.850 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 33 98.076 3.912 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 33 96.649 3.471 -4.674 1.00 0.00 H new ATOM 327 N GLN A 34 95.171 5.495 -6.120 1.00 0.00 N ATOM 328 CA GLN A 34 94.386 5.733 -7.325 1.00 0.00 C ATOM 329 C GLN A 34 94.153 7.227 -7.525 1.00 0.00 C ATOM 330 O GLN A 34 93.875 7.678 -8.636 1.00 0.00 O ATOM 331 CB GLN A 34 93.046 5.000 -7.243 1.00 0.00 C ATOM 332 CG GLN A 34 93.085 3.593 -7.818 1.00 0.00 C ATOM 333 CD GLN A 34 91.701 3.024 -8.059 1.00 0.00 C ATOM 334 OE1 GLN A 34 90.960 3.503 -8.918 1.00 0.00 O ATOM 335 NE2 GLN A 34 91.344 1.995 -7.299 1.00 0.00 N ATOM 0 H GLN A 34 94.659 5.037 -5.366 1.00 0.00 H new ATOM 0 HA GLN A 34 94.945 5.349 -8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 34 92.733 4.949 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 34 92.291 5.580 -7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 34 93.638 3.603 -8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 34 93.628 2.940 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 34 91.990 1.630 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 34 90.424 1.570 -7.415 1.00 0.00 H new ATOM 344 N ASN A 35 94.276 7.990 -6.443 1.00 0.00 N ATOM 345 CA ASN A 35 94.086 9.431 -6.495 1.00 0.00 C ATOM 346 C ASN A 35 95.285 10.106 -7.148 1.00 0.00 C ATOM 347 O ASN A 35 95.154 10.779 -8.171 1.00 0.00 O ATOM 348 CB ASN A 35 93.890 9.981 -5.085 1.00 0.00 C ATOM 349 CG ASN A 35 93.036 11.234 -5.062 1.00 0.00 C ATOM 350 OD1 ASN A 35 91.937 11.240 -4.507 1.00 0.00 O ATOM 351 ND2 ASN A 35 93.540 12.304 -5.667 1.00 0.00 N ATOM 0 H ASN A 35 94.507 7.630 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 35 93.199 9.641 -7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 35 93.425 9.217 -4.462 1.00 0.00 H new ATOM 0 HB3 ASN A 35 94.863 10.201 -4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 35 93.012 13.176 -5.684 1.00 0.00 H new ATOM 0 HD22 ASN A 35 94.455 12.253 -6.114 1.00 0.00 H new ATOM 358 N LEU A 36 96.453 9.918 -6.546 1.00 0.00 N ATOM 359 CA LEU A 36 97.683 10.506 -7.067 1.00 0.00 C ATOM 360 C LEU A 36 97.983 9.980 -8.465 1.00 0.00 C ATOM 361 O LEU A 36 98.380 10.735 -9.352 1.00 0.00 O ATOM 362 CB LEU A 36 98.862 10.207 -6.136 1.00 0.00 C ATOM 363 CG LEU A 36 98.538 10.219 -4.642 1.00 0.00 C ATOM 364 CD1 LEU A 36 99.800 10.004 -3.821 1.00 0.00 C ATOM 365 CD2 LEU A 36 97.864 11.526 -4.249 1.00 0.00 C ATOM 0 H LEU A 36 96.575 9.364 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 36 97.541 11.585 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.268 9.229 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.647 10.939 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 36 97.848 9.401 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 36 99.550 10.016 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 36 100.242 9.042 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.513 10.800 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 36 97.642 11.514 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 36 98.530 12.360 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 36 96.937 11.641 -4.811 1.00 0.00 H new ATOM 377 N TYR A 37 97.791 8.679 -8.653 1.00 0.00 N ATOM 378 CA TYR A 37 98.041 8.049 -9.946 1.00 0.00 C ATOM 379 C TYR A 37 97.098 8.586 -11.020 1.00 0.00 C ATOM 380 O TYR A 37 97.329 8.394 -12.212 1.00 0.00 O ATOM 381 CB TYR A 37 97.893 6.530 -9.837 1.00 0.00 C ATOM 382 CG TYR A 37 99.124 5.838 -9.296 1.00 0.00 C ATOM 383 CD1 TYR A 37 99.762 6.307 -8.154 1.00 0.00 C ATOM 384 CD2 TYR A 37 99.646 4.716 -9.926 1.00 0.00 C ATOM 385 CE1 TYR A 37 100.888 5.677 -7.658 1.00 0.00 C ATOM 386 CE2 TYR A 37 100.771 4.081 -9.436 1.00 0.00 C ATOM 387 CZ TYR A 37 101.388 4.565 -8.302 1.00 0.00 C ATOM 388 OH TYR A 37 102.508 3.935 -7.810 1.00 0.00 O ATOM 0 H TYR A 37 97.464 8.040 -7.928 1.00 0.00 H new ATOM 0 HA TYR A 37 99.063 8.291 -10.238 1.00 0.00 H new ATOM 0 HB2 TYR A 37 97.045 6.302 -9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 37 97.662 6.124 -10.822 1.00 0.00 H new ATOM 0 HD1 TYR A 37 99.372 7.177 -7.646 1.00 0.00 H new ATOM 0 HD2 TYR A 37 99.165 4.333 -10.814 1.00 0.00 H new ATOM 0 HE1 TYR A 37 101.374 6.054 -6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 37 101.165 3.210 -9.939 1.00 0.00 H new ATOM 0 HH TYR A 37 102.729 3.168 -8.379 1.00 0.00 H new ATOM 398 N GLU A 38 96.037 9.259 -10.593 1.00 0.00 N ATOM 399 CA GLU A 38 95.065 9.822 -11.523 1.00 0.00 C ATOM 400 C GLU A 38 95.495 11.210 -11.993 1.00 0.00 C ATOM 401 O GLU A 38 95.012 11.707 -13.011 1.00 0.00 O ATOM 402 CB GLU A 38 93.685 9.900 -10.866 1.00 0.00 C ATOM 403 CG GLU A 38 92.572 10.271 -11.832 1.00 0.00 C ATOM 404 CD GLU A 38 91.543 11.193 -11.207 1.00 0.00 C ATOM 405 OE1 GLU A 38 91.793 12.416 -11.162 1.00 0.00 O ATOM 406 OE2 GLU A 38 90.488 10.693 -10.765 1.00 0.00 O ATOM 0 H GLU A 38 95.827 9.428 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 38 95.012 9.166 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 38 93.454 8.937 -10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 38 93.716 10.634 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 38 93.003 10.754 -12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 38 92.078 9.363 -12.178 1.00 0.00 H new ATOM 413 N LYS A 39 96.402 11.835 -11.246 1.00 0.00 N ATOM 414 CA LYS A 39 96.888 13.166 -11.589 1.00 0.00 C ATOM 415 C LYS A 39 98.294 13.111 -12.184 1.00 0.00 C ATOM 416 O LYS A 39 98.969 14.135 -12.288 1.00 0.00 O ATOM 417 CB LYS A 39 96.885 14.062 -10.349 1.00 0.00 C ATOM 418 CG LYS A 39 95.957 15.261 -10.466 1.00 0.00 C ATOM 419 CD LYS A 39 96.705 16.501 -10.928 1.00 0.00 C ATOM 420 CE LYS A 39 95.797 17.442 -11.702 1.00 0.00 C ATOM 421 NZ LYS A 39 96.572 18.406 -12.532 1.00 0.00 N ATOM 0 H LYS A 39 96.814 11.440 -10.400 1.00 0.00 H new ATOM 0 HA LYS A 39 96.218 13.582 -12.341 1.00 0.00 H new ATOM 0 HB2 LYS A 39 96.591 13.469 -9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 39 97.899 14.415 -10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 39 95.156 15.035 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 39 95.489 15.456 -9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 39 97.118 17.021 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 39 97.546 16.207 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 95.135 16.861 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 39 95.164 17.991 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 95.916 19.030 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 97.185 18.979 -11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 97.157 17.884 -13.215 1.00 0.00 H new ATOM 435 N THR A 40 98.733 11.918 -12.573 1.00 0.00 N ATOM 436 CA THR A 40 100.063 11.751 -13.154 1.00 0.00 C ATOM 437 C THR A 40 100.295 10.315 -13.617 1.00 0.00 C ATOM 438 O THR A 40 101.025 10.075 -14.577 1.00 0.00 O ATOM 439 CB THR A 40 101.141 12.149 -12.142 1.00 0.00 C ATOM 440 OG1 THR A 40 100.663 12.011 -10.814 1.00 0.00 O ATOM 441 CG2 THR A 40 101.631 13.571 -12.315 1.00 0.00 C ATOM 0 H THR A 40 98.192 11.057 -12.498 1.00 0.00 H new ATOM 0 HA THR A 40 100.126 12.404 -14.025 1.00 0.00 H new ATOM 0 HB THR A 40 101.975 11.473 -12.329 1.00 0.00 H new ATOM 0 HG1 THR A 40 101.368 12.269 -10.184 1.00 0.00 H new ATOM 0 HG21 THR A 40 102.393 13.787 -11.566 1.00 0.00 H new ATOM 0 HG22 THR A 40 102.057 13.690 -13.311 1.00 0.00 H new ATOM 0 HG23 THR A 40 100.796 14.261 -12.192 1.00 0.00 H new ATOM 449 N TYR A 41 99.668 9.364 -12.929 1.00 0.00 N ATOM 450 CA TYR A 41 99.803 7.955 -13.267 1.00 0.00 C ATOM 451 C TYR A 41 101.265 7.583 -13.502 1.00 0.00 C ATOM 452 O TYR A 41 101.578 6.688 -14.288 1.00 0.00 O ATOM 453 CB TYR A 41 98.963 7.652 -14.500 1.00 0.00 C ATOM 454 CG TYR A 41 99.040 6.215 -14.966 1.00 0.00 C ATOM 455 CD1 TYR A 41 98.702 5.171 -14.114 1.00 0.00 C ATOM 456 CD2 TYR A 41 99.449 5.904 -16.256 1.00 0.00 C ATOM 457 CE1 TYR A 41 98.771 3.856 -14.536 1.00 0.00 C ATOM 458 CE2 TYR A 41 99.520 4.592 -16.685 1.00 0.00 C ATOM 459 CZ TYR A 41 99.181 3.572 -15.821 1.00 0.00 C ATOM 460 OH TYR A 41 99.250 2.265 -16.244 1.00 0.00 O ATOM 0 H TYR A 41 99.060 9.548 -12.131 1.00 0.00 H new ATOM 0 HA TYR A 41 99.445 7.354 -12.431 1.00 0.00 H new ATOM 0 HB2 TYR A 41 97.923 7.897 -14.286 1.00 0.00 H new ATOM 0 HB3 TYR A 41 99.284 8.303 -15.313 1.00 0.00 H new ATOM 0 HD1 TYR A 41 98.380 5.390 -13.106 1.00 0.00 H new ATOM 0 HD2 TYR A 41 99.716 6.700 -16.935 1.00 0.00 H new ATOM 0 HE1 TYR A 41 98.505 3.055 -13.862 1.00 0.00 H new ATOM 0 HE2 TYR A 41 99.839 4.367 -17.692 1.00 0.00 H new ATOM 0 HH TYR A 41 99.555 2.238 -17.175 1.00 0.00 H new ATOM 470 N LEU A 42 102.154 8.282 -12.810 1.00 0.00 N ATOM 471 CA LEU A 42 103.586 8.037 -12.932 1.00 0.00 C ATOM 472 C LEU A 42 104.333 8.553 -11.702 1.00 0.00 C ATOM 473 O LEU A 42 104.137 9.695 -11.284 1.00 0.00 O ATOM 474 CB LEU A 42 104.134 8.710 -14.192 1.00 0.00 C ATOM 475 CG LEU A 42 103.858 7.963 -15.500 1.00 0.00 C ATOM 476 CD1 LEU A 42 102.710 8.615 -16.256 1.00 0.00 C ATOM 477 CD2 LEU A 42 105.109 7.919 -16.366 1.00 0.00 C ATOM 0 H LEU A 42 101.909 9.026 -12.156 1.00 0.00 H new ATOM 0 HA LEU A 42 103.740 6.960 -13.006 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.707 9.710 -14.266 1.00 0.00 H new ATOM 0 HB3 LEU A 42 105.212 8.831 -14.081 1.00 0.00 H new ATOM 0 HG LEU A 42 103.573 6.940 -15.256 1.00 0.00 H new ATOM 0 HD11 LEU A 42 102.529 8.070 -17.183 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.811 8.594 -15.641 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.967 9.649 -16.487 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.893 7.384 -17.291 1.00 0.00 H new ATOM 0 HD22 LEU A 42 105.425 8.935 -16.600 1.00 0.00 H new ATOM 0 HD23 LEU A 42 105.906 7.406 -15.828 1.00 0.00 H new ATOM 489 N PRO A 43 105.202 7.719 -11.101 1.00 0.00 N ATOM 490 CA PRO A 43 105.973 8.102 -9.918 1.00 0.00 C ATOM 491 C PRO A 43 107.223 8.904 -10.269 1.00 0.00 C ATOM 492 O PRO A 43 108.327 8.571 -9.838 1.00 0.00 O ATOM 493 CB PRO A 43 106.355 6.753 -9.316 1.00 0.00 C ATOM 494 CG PRO A 43 106.488 5.846 -10.493 1.00 0.00 C ATOM 495 CD PRO A 43 105.502 6.336 -11.525 1.00 0.00 C ATOM 0 HA PRO A 43 105.408 8.749 -9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.288 6.817 -8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 43 105.592 6.396 -8.624 1.00 0.00 H new ATOM 0 HG2 PRO A 43 107.504 5.868 -10.886 1.00 0.00 H new ATOM 0 HG3 PRO A 43 106.276 4.814 -10.213 1.00 0.00 H new ATOM 0 HD2 PRO A 43 105.927 6.309 -12.528 1.00 0.00 H new ATOM 0 HD3 PRO A 43 104.603 5.720 -11.543 1.00 0.00 H new ATOM 503 N ALA A 44 107.042 9.962 -11.053 1.00 0.00 N ATOM 504 CA ALA A 44 108.156 10.811 -11.462 1.00 0.00 C ATOM 505 C ALA A 44 109.197 10.024 -12.253 1.00 0.00 C ATOM 506 O ALA A 44 110.336 10.467 -12.402 1.00 0.00 O ATOM 507 CB ALA A 44 108.796 11.461 -10.245 1.00 0.00 C ATOM 0 H ALA A 44 106.135 10.252 -11.418 1.00 0.00 H new ATOM 0 HA ALA A 44 107.762 11.590 -12.115 1.00 0.00 H new ATOM 0 HB1 ALA A 44 109.626 12.092 -10.564 1.00 0.00 H new ATOM 0 HB2 ALA A 44 108.056 12.070 -9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 44 109.166 10.688 -9.572 1.00 0.00 H new ATOM 513 N VAL A 45 108.804 8.862 -12.766 1.00 0.00 N ATOM 514 CA VAL A 45 109.712 8.033 -13.547 1.00 0.00 C ATOM 515 C VAL A 45 110.024 8.694 -14.885 1.00 0.00 C ATOM 516 O VAL A 45 111.113 8.529 -15.434 1.00 0.00 O ATOM 517 CB VAL A 45 109.126 6.631 -13.789 1.00 0.00 C ATOM 518 CG1 VAL A 45 107.784 6.725 -14.500 1.00 0.00 C ATOM 519 CG2 VAL A 45 110.100 5.764 -14.578 1.00 0.00 C ATOM 0 H VAL A 45 107.867 8.476 -12.655 1.00 0.00 H new ATOM 0 HA VAL A 45 110.633 7.928 -12.973 1.00 0.00 H new ATOM 0 HB VAL A 45 108.965 6.158 -12.820 1.00 0.00 H new ATOM 0 HG11 VAL A 45 107.387 5.723 -14.662 1.00 0.00 H new ATOM 0 HG12 VAL A 45 107.087 7.297 -13.888 1.00 0.00 H new ATOM 0 HG13 VAL A 45 107.915 7.222 -15.461 1.00 0.00 H new ATOM 0 HG21 VAL A 45 109.663 4.778 -14.736 1.00 0.00 H new ATOM 0 HG22 VAL A 45 110.303 6.230 -15.542 1.00 0.00 H new ATOM 0 HG23 VAL A 45 111.031 5.663 -14.020 1.00 0.00 H new ATOM 529 N ASP A 46 109.061 9.451 -15.399 1.00 0.00 N ATOM 530 CA ASP A 46 109.233 10.148 -16.666 1.00 0.00 C ATOM 531 C ASP A 46 110.082 11.404 -16.482 1.00 0.00 C ATOM 532 O ASP A 46 110.662 11.916 -17.439 1.00 0.00 O ATOM 533 CB ASP A 46 107.871 10.519 -17.258 1.00 0.00 C ATOM 534 CG ASP A 46 107.312 9.428 -18.149 1.00 0.00 C ATOM 535 OD1 ASP A 46 107.737 8.263 -18.000 1.00 0.00 O ATOM 536 OD2 ASP A 46 106.448 9.737 -18.996 1.00 0.00 O ATOM 0 H ASP A 46 108.153 9.597 -14.957 1.00 0.00 H new ATOM 0 HA ASP A 46 109.749 9.479 -17.355 1.00 0.00 H new ATOM 0 HB2 ASP A 46 107.169 10.719 -16.449 1.00 0.00 H new ATOM 0 HB3 ASP A 46 107.966 11.440 -17.833 1.00 0.00 H new ATOM 541 N GLU A 47 110.150 11.896 -15.246 1.00 0.00 N ATOM 542 CA GLU A 47 110.929 13.090 -14.943 1.00 0.00 C ATOM 543 C GLU A 47 111.928 12.818 -13.822 1.00 0.00 C ATOM 544 O GLU A 47 112.258 13.708 -13.040 1.00 0.00 O ATOM 545 CB GLU A 47 110.004 14.243 -14.547 1.00 0.00 C ATOM 546 CG GLU A 47 108.957 14.571 -15.598 1.00 0.00 C ATOM 547 CD GLU A 47 107.731 13.686 -15.495 1.00 0.00 C ATOM 548 OE1 GLU A 47 107.179 13.561 -14.381 1.00 0.00 O ATOM 549 OE2 GLU A 47 107.320 13.118 -16.529 1.00 0.00 O ATOM 0 H GLU A 47 109.675 11.486 -14.442 1.00 0.00 H new ATOM 0 HA GLU A 47 111.482 13.369 -15.840 1.00 0.00 H new ATOM 0 HB2 GLU A 47 109.502 13.991 -13.613 1.00 0.00 H new ATOM 0 HB3 GLU A 47 110.606 15.131 -14.356 1.00 0.00 H new ATOM 0 HG2 GLU A 47 108.658 15.614 -15.494 1.00 0.00 H new ATOM 0 HG3 GLU A 47 109.396 14.463 -16.590 1.00 0.00 H new ATOM 556 N LYS A 48 112.407 11.579 -13.753 1.00 0.00 N ATOM 557 CA LYS A 48 113.369 11.189 -12.729 1.00 0.00 C ATOM 558 C LYS A 48 113.912 9.790 -12.994 1.00 0.00 C ATOM 559 O LYS A 48 115.113 9.608 -13.192 1.00 0.00 O ATOM 560 CB LYS A 48 112.722 11.243 -11.343 1.00 0.00 C ATOM 561 CG LYS A 48 113.682 11.654 -10.239 1.00 0.00 C ATOM 562 CD LYS A 48 113.168 11.236 -8.870 1.00 0.00 C ATOM 563 CE LYS A 48 113.525 9.793 -8.558 1.00 0.00 C ATOM 564 NZ LYS A 48 112.390 8.868 -8.830 1.00 0.00 N ATOM 0 H LYS A 48 112.145 10.830 -14.393 1.00 0.00 H new ATOM 0 HA LYS A 48 114.200 11.893 -12.763 1.00 0.00 H new ATOM 0 HB2 LYS A 48 111.888 11.944 -11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 48 112.307 10.263 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 48 114.658 11.201 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 48 113.823 12.735 -10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 48 113.590 11.890 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 48 112.086 11.360 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 114.387 9.495 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 48 113.818 9.710 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 112.461 8.039 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 111.491 9.360 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 112.424 8.559 -9.822 1.00 0.00 H new ATOM 578 N LEU A 49 113.022 8.802 -12.995 1.00 0.00 N ATOM 579 CA LEU A 49 113.418 7.417 -13.233 1.00 0.00 C ATOM 580 C LEU A 49 114.607 7.032 -12.356 1.00 0.00 C ATOM 581 O LEU A 49 115.422 6.190 -12.733 1.00 0.00 O ATOM 582 CB LEU A 49 113.775 7.212 -14.708 1.00 0.00 C ATOM 583 CG LEU A 49 113.438 5.829 -15.269 1.00 0.00 C ATOM 584 CD1 LEU A 49 112.952 5.940 -16.707 1.00 0.00 C ATOM 585 CD2 LEU A 49 114.649 4.911 -15.184 1.00 0.00 C ATOM 0 H LEU A 49 112.023 8.934 -12.834 1.00 0.00 H new ATOM 0 HA LEU A 49 112.574 6.776 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 49 113.254 7.964 -15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 49 114.843 7.389 -14.836 1.00 0.00 H new ATOM 0 HG LEU A 49 112.637 5.399 -14.668 1.00 0.00 H new ATOM 0 HD11 LEU A 49 112.717 4.947 -17.089 1.00 0.00 H new ATOM 0 HD12 LEU A 49 112.058 6.563 -16.742 1.00 0.00 H new ATOM 0 HD13 LEU A 49 113.732 6.390 -17.321 1.00 0.00 H new ATOM 0 HD21 LEU A 49 114.392 3.931 -15.587 1.00 0.00 H new ATOM 0 HD22 LEU A 49 115.470 5.337 -15.761 1.00 0.00 H new ATOM 0 HD23 LEU A 49 114.954 4.806 -14.143 1.00 0.00 H new ATOM 597 N ARG A 50 114.700 7.659 -11.188 1.00 0.00 N ATOM 598 CA ARG A 50 115.791 7.388 -10.259 1.00 0.00 C ATOM 599 C ARG A 50 117.123 7.845 -10.844 1.00 0.00 C ATOM 600 O ARG A 50 118.164 7.238 -10.592 1.00 0.00 O ATOM 601 CB ARG A 50 115.852 5.897 -9.922 1.00 0.00 C ATOM 602 CG ARG A 50 116.702 5.581 -8.702 1.00 0.00 C ATOM 603 CD ARG A 50 117.389 4.232 -8.835 1.00 0.00 C ATOM 604 NE ARG A 50 116.449 3.172 -9.195 1.00 0.00 N ATOM 605 CZ ARG A 50 116.818 1.959 -9.597 1.00 0.00 C ATOM 606 NH1 ARG A 50 118.105 1.647 -9.694 1.00 0.00 N ATOM 607 NH2 ARG A 50 115.899 1.054 -9.905 1.00 0.00 N ATOM 0 H ARG A 50 114.033 8.358 -10.862 1.00 0.00 H new ATOM 0 HA ARG A 50 115.602 7.948 -9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 50 114.840 5.530 -9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 50 116.249 5.355 -10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 50 117.452 6.361 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 50 116.075 5.585 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 50 118.170 4.296 -9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 50 117.877 3.979 -7.894 1.00 0.00 H new ATOM 0 HE ARG A 50 115.451 3.375 -9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 50 118.817 2.339 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 50 118.382 0.715 -10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 50 114.909 1.288 -9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 50 116.182 0.124 -10.213 1.00 0.00 H new ATOM 621 N ASP A 51 117.082 8.918 -11.629 1.00 0.00 N ATOM 622 CA ASP A 51 118.285 9.456 -12.254 1.00 0.00 C ATOM 623 C ASP A 51 118.635 10.832 -11.692 1.00 0.00 C ATOM 624 O ASP A 51 119.768 11.295 -11.825 1.00 0.00 O ATOM 625 CB ASP A 51 118.101 9.545 -13.770 1.00 0.00 C ATOM 626 CG ASP A 51 119.374 9.224 -14.527 1.00 0.00 C ATOM 627 OD1 ASP A 51 120.465 9.348 -13.932 1.00 0.00 O ATOM 628 OD2 ASP A 51 119.280 8.849 -15.715 1.00 0.00 O ATOM 0 H ASP A 51 116.228 9.432 -11.847 1.00 0.00 H new ATOM 0 HA ASP A 51 119.108 8.777 -12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 51 117.315 8.856 -14.079 1.00 0.00 H new ATOM 0 HB3 ASP A 51 117.768 10.549 -14.034 1.00 0.00 H new ATOM 633 N LEU A 52 117.660 11.485 -11.064 1.00 0.00 N ATOM 634 CA LEU A 52 117.877 12.807 -10.486 1.00 0.00 C ATOM 635 C LEU A 52 118.283 12.708 -9.017 1.00 0.00 C ATOM 636 O LEU A 52 118.165 13.676 -8.265 1.00 0.00 O ATOM 637 CB LEU A 52 116.612 13.658 -10.621 1.00 0.00 C ATOM 638 CG LEU A 52 116.508 14.462 -11.918 1.00 0.00 C ATOM 639 CD1 LEU A 52 115.052 14.702 -12.281 1.00 0.00 C ATOM 640 CD2 LEU A 52 117.252 15.782 -11.785 1.00 0.00 C ATOM 0 H LEU A 52 116.715 11.121 -10.943 1.00 0.00 H new ATOM 0 HA LEU A 52 118.691 13.283 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 52 115.743 13.004 -10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 52 116.565 14.348 -9.779 1.00 0.00 H new ATOM 0 HG LEU A 52 116.970 13.886 -12.720 1.00 0.00 H new ATOM 0 HD11 LEU A 52 114.997 15.275 -13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 52 114.548 13.745 -12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 52 114.564 15.258 -11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 52 117.168 16.342 -12.716 1.00 0.00 H new ATOM 0 HD22 LEU A 52 116.818 16.364 -10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 52 118.303 15.587 -11.572 1.00 0.00 H new ATOM 652 N TYR A 53 118.764 11.535 -8.611 1.00 0.00 N ATOM 653 CA TYR A 53 119.188 11.317 -7.235 1.00 0.00 C ATOM 654 C TYR A 53 120.627 10.817 -7.188 1.00 0.00 C ATOM 655 O TYR A 53 121.456 11.342 -6.444 1.00 0.00 O ATOM 656 CB TYR A 53 118.258 10.313 -6.548 1.00 0.00 C ATOM 657 CG TYR A 53 117.779 10.761 -5.184 1.00 0.00 C ATOM 658 CD1 TYR A 53 117.386 12.074 -4.961 1.00 0.00 C ATOM 659 CD2 TYR A 53 117.718 9.867 -4.122 1.00 0.00 C ATOM 660 CE1 TYR A 53 116.947 12.486 -3.718 1.00 0.00 C ATOM 661 CE2 TYR A 53 117.279 10.272 -2.876 1.00 0.00 C ATOM 662 CZ TYR A 53 116.895 11.581 -2.678 1.00 0.00 C ATOM 663 OH TYR A 53 116.458 11.988 -1.439 1.00 0.00 O ATOM 0 H TYR A 53 118.869 10.722 -9.218 1.00 0.00 H new ATOM 0 HA TYR A 53 119.136 12.268 -6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 53 117.393 10.137 -7.187 1.00 0.00 H new ATOM 0 HB3 TYR A 53 118.778 9.361 -6.446 1.00 0.00 H new ATOM 0 HD1 TYR A 53 117.424 12.785 -5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 53 118.018 8.841 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 53 116.646 13.511 -3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 53 117.237 9.566 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 53 116.031 11.235 -0.979 1.00 0.00 H new ATOM 673 N SER A 54 120.914 9.800 -7.990 1.00 0.00 N ATOM 674 CA SER A 54 122.252 9.223 -8.051 1.00 0.00 C ATOM 675 C SER A 54 122.689 8.715 -6.684 1.00 0.00 C ATOM 676 O SER A 54 123.765 9.061 -6.194 1.00 0.00 O ATOM 677 CB SER A 54 123.253 10.254 -8.575 1.00 0.00 C ATOM 678 OG SER A 54 122.678 11.052 -9.595 1.00 0.00 O ATOM 0 H SER A 54 120.236 9.356 -8.609 1.00 0.00 H new ATOM 0 HA SER A 54 122.224 8.377 -8.738 1.00 0.00 H new ATOM 0 HB2 SER A 54 123.586 10.891 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 54 124.135 9.744 -8.962 1.00 0.00 H new ATOM 0 HG SER A 54 123.338 11.704 -9.911 1.00 0.00 H new ATOM 684 N LYS A 55 121.845 7.892 -6.069 1.00 0.00 N ATOM 685 CA LYS A 55 122.142 7.338 -4.754 1.00 0.00 C ATOM 686 C LYS A 55 122.429 8.449 -3.747 1.00 0.00 C ATOM 687 O LYS A 55 123.070 8.219 -2.723 1.00 0.00 O ATOM 688 CB LYS A 55 123.336 6.387 -4.836 1.00 0.00 C ATOM 689 CG LYS A 55 123.476 5.480 -3.624 1.00 0.00 C ATOM 690 CD LYS A 55 122.996 4.068 -3.925 1.00 0.00 C ATOM 691 CE LYS A 55 123.895 3.025 -3.280 1.00 0.00 C ATOM 692 NZ LYS A 55 123.390 1.641 -3.504 1.00 0.00 N ATOM 0 H LYS A 55 120.951 7.595 -6.460 1.00 0.00 H new ATOM 0 HA LYS A 55 121.267 6.783 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 55 123.239 5.772 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 55 124.249 6.972 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 55 124.519 5.451 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 55 122.903 5.891 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 55 121.975 3.944 -3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 55 122.972 3.913 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 55 124.903 3.114 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 55 123.964 3.217 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 124.031 0.960 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 122.438 1.548 -3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 123.348 1.448 -4.525 1.00 0.00 H new ATOM 706 N SER A 56 121.947 9.655 -4.045 1.00 0.00 N ATOM 707 CA SER A 56 122.153 10.797 -3.162 1.00 0.00 C ATOM 708 C SER A 56 121.650 10.486 -1.758 1.00 0.00 C ATOM 709 O SER A 56 122.361 10.682 -0.772 1.00 0.00 O ATOM 710 CB SER A 56 121.437 12.032 -3.713 1.00 0.00 C ATOM 711 OG SER A 56 121.329 13.042 -2.726 1.00 0.00 O ATOM 0 H SER A 56 121.413 9.864 -4.889 1.00 0.00 H new ATOM 0 HA SER A 56 123.222 11.002 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 56 121.982 12.418 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 56 120.443 11.754 -4.063 1.00 0.00 H new ATOM 0 HG SER A 56 120.869 13.821 -3.104 1.00 0.00 H new ATOM 717 N THR A 57 120.422 9.992 -1.680 1.00 0.00 N ATOM 718 CA THR A 57 119.817 9.641 -0.402 1.00 0.00 C ATOM 719 C THR A 57 118.879 8.450 -0.550 1.00 0.00 C ATOM 720 O THR A 57 117.997 8.234 0.282 1.00 0.00 O ATOM 721 CB THR A 57 119.057 10.834 0.171 1.00 0.00 C ATOM 722 OG1 THR A 57 119.795 12.031 -0.004 1.00 0.00 O ATOM 723 CG2 THR A 57 118.747 10.696 1.646 1.00 0.00 C ATOM 0 H THR A 57 119.824 9.825 -2.489 1.00 0.00 H new ATOM 0 HA THR A 57 120.618 9.365 0.284 1.00 0.00 H new ATOM 0 HB THR A 57 118.116 10.867 -0.379 1.00 0.00 H new ATOM 0 HG1 THR A 57 119.290 12.784 0.368 1.00 0.00 H new ATOM 0 HG21 THR A 57 118.206 11.578 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 57 118.134 9.809 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 57 119.677 10.601 2.206 1.00 0.00 H new ATOM 731 N ALA A 58 119.080 7.673 -1.607 1.00 0.00 N ATOM 732 CA ALA A 58 118.260 6.497 -1.854 1.00 0.00 C ATOM 733 C ALA A 58 118.753 5.331 -1.014 1.00 0.00 C ATOM 734 O ALA A 58 117.962 4.548 -0.488 1.00 0.00 O ATOM 735 CB ALA A 58 118.275 6.137 -3.333 1.00 0.00 C ATOM 0 H ALA A 58 119.804 7.837 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 58 117.232 6.721 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 58 117.656 5.255 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 58 117.882 6.971 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 58 119.298 5.927 -3.646 1.00 0.00 H new ATOM 741 N ALA A 59 120.071 5.234 -0.880 1.00 0.00 N ATOM 742 CA ALA A 59 120.683 4.177 -0.090 1.00 0.00 C ATOM 743 C ALA A 59 120.607 4.503 1.399 1.00 0.00 C ATOM 744 O ALA A 59 120.738 3.617 2.244 1.00 0.00 O ATOM 745 CB ALA A 59 122.128 3.970 -0.515 1.00 0.00 C ATOM 0 H ALA A 59 120.736 5.877 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 59 120.132 3.253 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 59 122.573 3.176 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 59 122.161 3.691 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 59 122.687 4.894 -0.366 1.00 0.00 H new ATOM 751 N MET A 60 120.392 5.780 1.717 1.00 0.00 N ATOM 752 CA MET A 60 120.299 6.214 3.106 1.00 0.00 C ATOM 753 C MET A 60 118.881 6.035 3.640 1.00 0.00 C ATOM 754 O MET A 60 118.682 5.830 4.838 1.00 0.00 O ATOM 755 CB MET A 60 120.723 7.678 3.233 1.00 0.00 C ATOM 756 CG MET A 60 121.463 7.987 4.525 1.00 0.00 C ATOM 757 SD MET A 60 123.249 8.083 4.296 1.00 0.00 S ATOM 758 CE MET A 60 123.537 6.648 3.266 1.00 0.00 C ATOM 0 H MET A 60 120.280 6.528 1.032 1.00 0.00 H new ATOM 0 HA MET A 60 120.971 5.594 3.700 1.00 0.00 H new ATOM 0 HB2 MET A 60 121.360 7.938 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 60 119.838 8.311 3.171 1.00 0.00 H new ATOM 0 HG2 MET A 60 121.101 8.932 4.929 1.00 0.00 H new ATOM 0 HG3 MET A 60 121.236 7.217 5.262 1.00 0.00 H new ATOM 0 HE1 MET A 60 124.609 6.479 3.170 1.00 0.00 H new ATOM 0 HE2 MET A 60 123.071 5.774 3.721 1.00 0.00 H new ATOM 0 HE3 MET A 60 123.106 6.816 2.279 1.00 0.00 H new ATOM 768 N SER A 61 117.898 6.112 2.748 1.00 0.00 N ATOM 769 CA SER A 61 116.501 5.957 3.138 1.00 0.00 C ATOM 770 C SER A 61 115.953 4.609 2.688 1.00 0.00 C ATOM 771 O SER A 61 114.776 4.487 2.351 1.00 0.00 O ATOM 772 CB SER A 61 115.654 7.085 2.549 1.00 0.00 C ATOM 773 OG SER A 61 116.181 8.354 2.893 1.00 0.00 O ATOM 0 H SER A 61 118.043 6.280 1.752 1.00 0.00 H new ATOM 0 HA SER A 61 116.451 6.004 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.616 6.986 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.630 7.003 2.913 1.00 0.00 H new ATOM 0 HG SER A 61 115.622 9.057 2.502 1.00 0.00 H new ATOM 779 N THR A 62 116.813 3.596 2.688 1.00 0.00 N ATOM 780 CA THR A 62 116.412 2.256 2.282 1.00 0.00 C ATOM 781 C THR A 62 116.254 1.342 3.491 1.00 0.00 C ATOM 782 O THR A 62 115.656 0.271 3.395 1.00 0.00 O ATOM 783 CB THR A 62 117.438 1.657 1.321 1.00 0.00 C ATOM 784 OG1 THR A 62 118.464 2.590 1.032 1.00 0.00 O ATOM 785 CG2 THR A 62 116.837 1.212 0.006 1.00 0.00 C ATOM 0 H THR A 62 117.791 3.678 2.965 1.00 0.00 H new ATOM 0 HA THR A 62 115.450 2.338 1.776 1.00 0.00 H new ATOM 0 HB THR A 62 117.836 0.782 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 62 118.169 3.189 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 62 117.619 0.797 -0.629 1.00 0.00 H new ATOM 0 HG22 THR A 62 116.078 0.452 0.191 1.00 0.00 H new ATOM 0 HG23 THR A 62 116.380 2.067 -0.493 1.00 0.00 H new ATOM 793 N TYR A 63 116.796 1.770 4.628 1.00 0.00 N ATOM 794 CA TYR A 63 116.715 0.989 5.855 1.00 0.00 C ATOM 795 C TYR A 63 115.297 0.490 6.087 1.00 0.00 C ATOM 796 O TYR A 63 115.089 -0.558 6.700 1.00 0.00 O ATOM 797 CB TYR A 63 117.171 1.822 7.046 1.00 0.00 C ATOM 798 CG TYR A 63 118.626 1.625 7.405 1.00 0.00 C ATOM 799 CD1 TYR A 63 119.622 1.758 6.445 1.00 0.00 C ATOM 800 CD2 TYR A 63 119.005 1.309 8.703 1.00 0.00 C ATOM 801 CE1 TYR A 63 120.954 1.579 6.768 1.00 0.00 C ATOM 802 CE2 TYR A 63 120.335 1.129 9.035 1.00 0.00 C ATOM 803 CZ TYR A 63 121.305 1.266 8.064 1.00 0.00 C ATOM 804 OH TYR A 63 122.629 1.088 8.390 1.00 0.00 O ATOM 0 H TYR A 63 117.296 2.654 4.723 1.00 0.00 H new ATOM 0 HA TYR A 63 117.374 0.127 5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 63 117.000 2.876 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 63 116.556 1.571 7.910 1.00 0.00 H new ATOM 0 HD1 TYR A 63 119.351 2.005 5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 63 118.248 1.202 9.466 1.00 0.00 H new ATOM 0 HE1 TYR A 63 121.716 1.684 6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 63 120.613 0.882 10.049 1.00 0.00 H new ATOM 0 HH TYR A 63 123.045 0.476 7.748 1.00 0.00 H new ATOM 814 N THR A 64 114.320 1.236 5.581 1.00 0.00 N ATOM 815 CA THR A 64 112.922 0.851 5.722 1.00 0.00 C ATOM 816 C THR A 64 112.722 -0.594 5.277 1.00 0.00 C ATOM 817 O THR A 64 111.814 -1.281 5.744 1.00 0.00 O ATOM 818 CB THR A 64 112.025 1.782 4.904 1.00 0.00 C ATOM 819 OG1 THR A 64 112.368 3.137 5.134 1.00 0.00 O ATOM 820 CG2 THR A 64 110.554 1.621 5.214 1.00 0.00 C ATOM 0 H THR A 64 114.471 2.107 5.072 1.00 0.00 H new ATOM 0 HA THR A 64 112.646 0.936 6.773 1.00 0.00 H new ATOM 0 HB THR A 64 112.192 1.503 3.863 1.00 0.00 H new ATOM 0 HG1 THR A 64 111.785 3.717 4.601 1.00 0.00 H new ATOM 0 HG21 THR A 64 109.975 2.310 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 64 110.247 0.598 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 64 110.378 1.839 6.267 1.00 0.00 H new ATOM 828 N GLY A 65 113.589 -1.051 4.375 1.00 0.00 N ATOM 829 CA GLY A 65 113.504 -2.414 3.887 1.00 0.00 C ATOM 830 C GLY A 65 114.740 -3.229 4.222 1.00 0.00 C ATOM 831 O GLY A 65 114.846 -4.391 3.829 1.00 0.00 O ATOM 0 H GLY A 65 114.348 -0.500 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 65 112.627 -2.897 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 65 113.363 -2.402 2.806 1.00 0.00 H new ATOM 835 N ILE A 66 115.678 -2.623 4.949 1.00 0.00 N ATOM 836 CA ILE A 66 116.907 -3.306 5.332 1.00 0.00 C ATOM 837 C ILE A 66 117.003 -3.477 6.845 1.00 0.00 C ATOM 838 O ILE A 66 117.877 -4.187 7.339 1.00 0.00 O ATOM 839 CB ILE A 66 118.147 -2.538 4.842 1.00 0.00 C ATOM 840 CG1 ILE A 66 117.966 -2.099 3.387 1.00 0.00 C ATOM 841 CG2 ILE A 66 119.399 -3.392 4.996 1.00 0.00 C ATOM 842 CD1 ILE A 66 119.033 -1.138 2.909 1.00 0.00 C ATOM 0 H ILE A 66 115.608 -1.662 5.283 1.00 0.00 H new ATOM 0 HA ILE A 66 116.878 -4.288 4.861 1.00 0.00 H new ATOM 0 HB ILE A 66 118.265 -1.645 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 66 117.969 -2.981 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 66 116.989 -1.629 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 66 120.266 -2.833 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 66 119.536 -3.651 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 66 119.292 -4.304 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 66 118.842 -0.869 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.016 -0.239 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 66 120.011 -1.612 2.987 1.00 0.00 H new ATOM 854 N PHE A 67 116.100 -2.824 7.582 1.00 0.00 N ATOM 855 CA PHE A 67 116.094 -2.914 9.042 1.00 0.00 C ATOM 856 C PHE A 67 116.276 -4.358 9.500 1.00 0.00 C ATOM 857 O PHE A 67 116.844 -4.618 10.562 1.00 0.00 O ATOM 858 CB PHE A 67 114.787 -2.349 9.602 1.00 0.00 C ATOM 859 CG PHE A 67 114.829 -2.096 11.082 1.00 0.00 C ATOM 860 CD1 PHE A 67 115.821 -1.301 11.635 1.00 0.00 C ATOM 861 CD2 PHE A 67 113.876 -2.651 11.920 1.00 0.00 C ATOM 862 CE1 PHE A 67 115.862 -1.066 12.996 1.00 0.00 C ATOM 863 CE2 PHE A 67 113.912 -2.419 13.282 1.00 0.00 C ATOM 864 CZ PHE A 67 114.906 -1.626 13.821 1.00 0.00 C ATOM 0 H PHE A 67 115.368 -2.230 7.193 1.00 0.00 H new ATOM 0 HA PHE A 67 116.929 -2.325 9.421 1.00 0.00 H new ATOM 0 HB2 PHE A 67 114.554 -1.416 9.088 1.00 0.00 H new ATOM 0 HB3 PHE A 67 113.977 -3.044 9.383 1.00 0.00 H new ATOM 0 HD1 PHE A 67 116.571 -0.860 10.995 1.00 0.00 H new ATOM 0 HD2 PHE A 67 113.096 -3.272 11.504 1.00 0.00 H new ATOM 0 HE1 PHE A 67 116.641 -0.445 13.414 1.00 0.00 H new ATOM 0 HE2 PHE A 67 113.163 -2.858 13.925 1.00 0.00 H new ATOM 0 HZ PHE A 67 114.936 -1.444 14.885 1.00 0.00 H new ATOM 874 N THR A 68 115.797 -5.292 8.687 1.00 0.00 N ATOM 875 CA THR A 68 115.912 -6.711 8.996 1.00 0.00 C ATOM 876 C THR A 68 116.917 -7.389 8.069 1.00 0.00 C ATOM 877 O THR A 68 117.473 -8.436 8.402 1.00 0.00 O ATOM 878 CB THR A 68 114.549 -7.393 8.880 1.00 0.00 C ATOM 879 OG1 THR A 68 113.521 -6.545 9.359 1.00 0.00 O ATOM 880 CG2 THR A 68 114.464 -8.696 9.646 1.00 0.00 C ATOM 0 H THR A 68 115.324 -5.091 7.806 1.00 0.00 H new ATOM 0 HA THR A 68 116.269 -6.807 10.021 1.00 0.00 H new ATOM 0 HB THR A 68 114.423 -7.606 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 68 112.657 -6.999 9.275 1.00 0.00 H new ATOM 0 HG21 THR A 68 113.471 -9.127 9.521 1.00 0.00 H new ATOM 0 HG22 THR A 68 115.212 -9.391 9.265 1.00 0.00 H new ATOM 0 HG23 THR A 68 114.648 -8.509 10.704 1.00 0.00 H new ATOM 888 N ASP A 69 117.153 -6.784 6.906 1.00 0.00 N ATOM 889 CA ASP A 69 118.098 -7.334 5.943 1.00 0.00 C ATOM 890 C ASP A 69 119.529 -7.095 6.405 1.00 0.00 C ATOM 891 O ASP A 69 120.405 -7.939 6.211 1.00 0.00 O ATOM 892 CB ASP A 69 117.879 -6.709 4.563 1.00 0.00 C ATOM 893 CG ASP A 69 117.957 -7.732 3.447 1.00 0.00 C ATOM 894 OD1 ASP A 69 118.753 -8.687 3.570 1.00 0.00 O ATOM 895 OD2 ASP A 69 117.223 -7.578 2.448 1.00 0.00 O ATOM 0 H ASP A 69 116.704 -5.917 6.611 1.00 0.00 H new ATOM 0 HA ASP A 69 117.929 -8.408 5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 69 116.904 -6.222 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 69 118.627 -5.934 4.395 1.00 0.00 H new ATOM 900 N GLN A 70 119.758 -5.943 7.026 1.00 0.00 N ATOM 901 CA GLN A 70 121.082 -5.595 7.525 1.00 0.00 C ATOM 902 C GLN A 70 121.478 -6.516 8.673 1.00 0.00 C ATOM 903 O GLN A 70 122.653 -6.837 8.849 1.00 0.00 O ATOM 904 CB GLN A 70 121.110 -4.138 7.990 1.00 0.00 C ATOM 905 CG GLN A 70 122.422 -3.431 7.695 1.00 0.00 C ATOM 906 CD GLN A 70 122.346 -1.936 7.941 1.00 0.00 C ATOM 907 OE1 GLN A 70 122.242 -1.146 7.004 1.00 0.00 O ATOM 908 NE2 GLN A 70 122.399 -1.542 9.208 1.00 0.00 N ATOM 0 H GLN A 70 119.044 -5.235 7.195 1.00 0.00 H new ATOM 0 HA GLN A 70 121.798 -5.719 6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 70 120.298 -3.595 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 70 120.922 -4.104 9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 70 123.209 -3.858 8.317 1.00 0.00 H new ATOM 0 HG3 GLN A 70 122.702 -3.611 6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 70 122.485 -2.233 9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 70 122.353 -0.549 9.436 1.00 0.00 H new ATOM 917 N VAL A 71 120.486 -6.944 9.449 1.00 0.00 N ATOM 918 CA VAL A 71 120.725 -7.831 10.576 1.00 0.00 C ATOM 919 C VAL A 71 120.805 -9.283 10.116 1.00 0.00 C ATOM 920 O VAL A 71 121.657 -10.046 10.573 1.00 0.00 O ATOM 921 CB VAL A 71 119.613 -7.692 11.631 1.00 0.00 C ATOM 922 CG1 VAL A 71 119.837 -8.649 12.792 1.00 0.00 C ATOM 923 CG2 VAL A 71 119.527 -6.256 12.126 1.00 0.00 C ATOM 0 H VAL A 71 119.508 -6.688 9.315 1.00 0.00 H new ATOM 0 HA VAL A 71 121.677 -7.544 11.022 1.00 0.00 H new ATOM 0 HB VAL A 71 118.665 -7.954 11.161 1.00 0.00 H new ATOM 0 HG11 VAL A 71 119.037 -8.529 13.522 1.00 0.00 H new ATOM 0 HG12 VAL A 71 119.841 -9.675 12.423 1.00 0.00 H new ATOM 0 HG13 VAL A 71 120.795 -8.430 13.264 1.00 0.00 H new ATOM 0 HG21 VAL A 71 118.736 -6.175 12.871 1.00 0.00 H new ATOM 0 HG22 VAL A 71 120.478 -5.968 12.574 1.00 0.00 H new ATOM 0 HG23 VAL A 71 119.305 -5.595 11.288 1.00 0.00 H new ATOM 933 N LEU A 72 119.912 -9.657 9.205 1.00 0.00 N ATOM 934 CA LEU A 72 119.881 -11.016 8.677 1.00 0.00 C ATOM 935 C LEU A 72 121.195 -11.359 7.984 1.00 0.00 C ATOM 936 O LEU A 72 121.592 -12.523 7.922 1.00 0.00 O ATOM 937 CB LEU A 72 118.712 -11.180 7.702 1.00 0.00 C ATOM 938 CG LEU A 72 117.482 -11.883 8.278 1.00 0.00 C ATOM 939 CD1 LEU A 72 116.720 -10.950 9.206 1.00 0.00 C ATOM 940 CD2 LEU A 72 116.579 -12.376 7.157 1.00 0.00 C ATOM 0 H LEU A 72 119.200 -9.038 8.817 1.00 0.00 H new ATOM 0 HA LEU A 72 119.744 -11.703 9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 72 118.414 -10.194 7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 72 119.059 -11.741 6.834 1.00 0.00 H new ATOM 0 HG LEU A 72 117.816 -12.744 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 72 115.848 -11.467 9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 72 117.369 -10.644 10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 72 116.396 -10.069 8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 72 115.708 -12.874 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 72 116.253 -11.529 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 72 117.128 -13.079 6.530 1.00 0.00 H new ATOM 952 N SER A 73 121.868 -10.336 7.464 1.00 0.00 N ATOM 953 CA SER A 73 123.139 -10.529 6.777 1.00 0.00 C ATOM 954 C SER A 73 124.272 -10.733 7.777 1.00 0.00 C ATOM 955 O SER A 73 125.296 -11.335 7.454 1.00 0.00 O ATOM 956 CB SER A 73 123.446 -9.329 5.879 1.00 0.00 C ATOM 957 OG SER A 73 122.876 -8.142 6.403 1.00 0.00 O ATOM 0 H SER A 73 121.554 -9.367 7.506 1.00 0.00 H new ATOM 0 HA SER A 73 123.057 -11.424 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 73 124.525 -9.207 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 73 123.057 -9.511 4.877 1.00 0.00 H new ATOM 0 HG SER A 73 122.017 -7.970 5.964 1.00 0.00 H new ATOM 963 N VAL A 74 124.081 -10.231 8.994 1.00 0.00 N ATOM 964 CA VAL A 74 125.088 -10.363 10.039 1.00 0.00 C ATOM 965 C VAL A 74 125.399 -11.832 10.305 1.00 0.00 C ATOM 966 O VAL A 74 126.524 -12.183 10.664 1.00 0.00 O ATOM 967 CB VAL A 74 124.631 -9.689 11.347 1.00 0.00 C ATOM 968 CG1 VAL A 74 125.658 -9.893 12.453 1.00 0.00 C ATOM 969 CG2 VAL A 74 124.379 -8.208 11.115 1.00 0.00 C ATOM 0 H VAL A 74 123.239 -9.730 9.279 1.00 0.00 H new ATOM 0 HA VAL A 74 125.990 -9.862 9.687 1.00 0.00 H new ATOM 0 HB VAL A 74 123.699 -10.155 11.666 1.00 0.00 H new ATOM 0 HG11 VAL A 74 125.311 -9.408 13.365 1.00 0.00 H new ATOM 0 HG12 VAL A 74 125.788 -10.960 12.636 1.00 0.00 H new ATOM 0 HG13 VAL A 74 126.610 -9.458 12.150 1.00 0.00 H new ATOM 0 HG21 VAL A 74 124.057 -7.743 12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 74 125.297 -7.732 10.771 1.00 0.00 H new ATOM 0 HG23 VAL A 74 123.602 -8.085 10.361 1.00 0.00 H new ATOM 979 N LEU A 75 124.400 -12.687 10.113 1.00 0.00 N ATOM 980 CA LEU A 75 124.573 -14.120 10.318 1.00 0.00 C ATOM 981 C LEU A 75 125.714 -14.650 9.455 1.00 0.00 C ATOM 982 O LEU A 75 126.315 -15.679 9.764 1.00 0.00 O ATOM 983 CB LEU A 75 123.279 -14.866 9.991 1.00 0.00 C ATOM 984 CG LEU A 75 122.041 -14.376 10.744 1.00 0.00 C ATOM 985 CD1 LEU A 75 120.773 -14.831 10.039 1.00 0.00 C ATOM 986 CD2 LEU A 75 122.062 -14.872 12.181 1.00 0.00 C ATOM 0 H LEU A 75 123.463 -12.413 9.816 1.00 0.00 H new ATOM 0 HA LEU A 75 124.820 -14.288 11.366 1.00 0.00 H new ATOM 0 HB2 LEU A 75 123.091 -14.784 8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 75 123.423 -15.924 10.209 1.00 0.00 H new ATOM 0 HG LEU A 75 122.053 -13.286 10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 75 119.903 -14.473 10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 75 120.754 -14.427 9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 75 120.752 -15.920 9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 75 121.174 -14.514 12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 75 122.073 -15.962 12.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 122.954 -14.496 12.683 1.00 0.00 H new ATOM 998 N LYS A 76 126.010 -13.934 8.373 1.00 0.00 N ATOM 999 CA LYS A 76 127.083 -14.324 7.466 1.00 0.00 C ATOM 1000 C LYS A 76 127.286 -13.271 6.387 1.00 0.00 C ATOM 1001 O LYS A 76 126.406 -13.031 5.560 1.00 0.00 O ATOM 1002 CB LYS A 76 126.778 -15.681 6.829 1.00 0.00 C ATOM 1003 CG LYS A 76 128.012 -16.540 6.609 1.00 0.00 C ATOM 1004 CD LYS A 76 127.681 -17.802 5.828 1.00 0.00 C ATOM 1005 CE LYS A 76 128.022 -17.651 4.355 1.00 0.00 C ATOM 1006 NZ LYS A 76 127.014 -16.829 3.631 1.00 0.00 N ATOM 0 H LYS A 76 125.521 -13.080 8.104 1.00 0.00 H new ATOM 0 HA LYS A 76 128.003 -14.407 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 76 126.077 -16.222 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 76 126.282 -15.521 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 76 128.766 -15.965 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 76 128.445 -16.810 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 76 128.232 -18.645 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 76 126.621 -18.030 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 76 129.005 -17.190 4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 76 128.084 -18.637 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 127.155 -16.930 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 126.058 -17.152 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 127.124 -15.830 3.899 1.00 0.00 H new ATOM 1020 N GLY A 77 128.451 -12.637 6.412 1.00 0.00 N ATOM 1021 CA GLY A 77 128.758 -11.603 5.445 1.00 0.00 C ATOM 1022 C GLY A 77 128.875 -10.237 6.092 1.00 0.00 C ATOM 1023 O GLY A 77 129.283 -9.270 5.449 1.00 0.00 O ATOM 0 H GLY A 77 129.192 -12.822 7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 77 129.692 -11.846 4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 77 127.980 -11.577 4.682 1.00 0.00 H new ATOM 1027 N GLU A 78 128.518 -10.161 7.377 1.00 0.00 N ATOM 1028 CA GLU A 78 128.584 -8.912 8.126 1.00 0.00 C ATOM 1029 C GLU A 78 128.028 -7.745 7.314 1.00 0.00 C ATOM 1030 O GLU A 78 128.468 -6.605 7.463 1.00 0.00 O ATOM 1031 CB GLU A 78 130.027 -8.632 8.536 1.00 0.00 C ATOM 1032 CG GLU A 78 130.180 -7.426 9.449 1.00 0.00 C ATOM 1033 CD GLU A 78 131.176 -6.414 8.918 1.00 0.00 C ATOM 1034 OE1 GLU A 78 132.284 -6.826 8.513 1.00 0.00 O ATOM 1035 OE2 GLU A 78 130.848 -5.208 8.906 1.00 0.00 O ATOM 0 H GLU A 78 128.179 -10.956 7.919 1.00 0.00 H new ATOM 0 HA GLU A 78 127.968 -9.017 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 78 130.429 -9.511 9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 78 130.626 -8.476 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 78 129.210 -6.944 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 78 130.499 -7.761 10.436 1.00 0.00 H new ATOM 1042 N GLU A 79 127.060 -8.043 6.455 1.00 0.00 N ATOM 1043 CA GLU A 79 126.441 -7.023 5.618 1.00 0.00 C ATOM 1044 C GLU A 79 125.112 -6.566 6.209 1.00 0.00 C ATOM 1045 O GLU A 79 124.312 -5.958 5.466 1.00 0.00 O ATOM 1046 CB GLU A 79 126.227 -7.560 4.200 1.00 0.00 C ATOM 1047 CG GLU A 79 127.336 -7.180 3.233 1.00 0.00 C ATOM 1048 CD GLU A 79 126.893 -7.247 1.784 1.00 0.00 C ATOM 1049 OE1 GLU A 79 126.564 -8.357 1.314 1.00 0.00 O ATOM 1050 OE2 GLU A 79 126.876 -6.191 1.119 1.00 0.00 O ATOM 1051 OXT GLU A 79 124.881 -6.819 7.411 1.00 0.00 O ATOM 0 H GLU A 79 126.687 -8.983 6.320 1.00 0.00 H new ATOM 0 HA GLU A 79 127.112 -6.165 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 79 126.147 -8.646 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 79 125.278 -7.185 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 79 127.679 -6.170 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 79 128.186 -7.846 3.381 1.00 0.00 H new TER 1058 GLU A 79