USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 524 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 Single : A 13 THR OG1 : rot 1:sc= 0.83 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0066 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0.15) 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 66:sc= 1.19 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 66:sc= 1.22 USER MOD Single : A 34 GLN : amide:sc= -0.0389 K(o=-0.039,f=-2.2!) USER MOD Single : A 35 ASN : amide:sc= -2.83 K(o=-2.8,f=-4.8!) 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 USER MOD Single : A 41 TYR OH : rot 78:sc= 0.0295 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -54:sc= 0.0264 USER MOD Single : A 55 LYS NZ :NH3+ -166:sc=-0.00749 (180deg=-0.179) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 123:sc= -0.983 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 93:sc= 0.135 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 70 GLN : amide:sc= -0.0835 X(o=-0.084,f=-0.13) USER MOD Single : A 73 SER OG : rot -119:sc= 0.171 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 65.217 5.979 1.890 1.00 0.00 N ATOM 2 CA THR A 13 65.652 5.730 3.290 1.00 0.00 C ATOM 3 C THR A 13 65.983 7.036 4.007 1.00 0.00 C ATOM 4 O THR A 13 65.689 8.121 3.508 1.00 0.00 O ATOM 5 CB THR A 13 66.877 4.812 3.267 1.00 0.00 C ATOM 6 OG1 THR A 13 67.470 4.797 1.981 1.00 0.00 O ATOM 7 CG2 THR A 13 66.557 3.381 3.641 1.00 0.00 C ATOM 0 HA THR A 13 64.838 5.254 3.837 1.00 0.00 H new ATOM 0 HB THR A 13 67.560 5.223 4.011 1.00 0.00 H new ATOM 0 HG1 THR A 13 66.970 5.391 1.383 1.00 0.00 H new ATOM 0 HG21 THR A 13 67.468 2.783 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 13 66.143 3.352 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 13 65.829 2.975 2.938 1.00 0.00 H new ATOM 15 N PHE A 14 66.593 6.917 5.181 1.00 0.00 N ATOM 16 CA PHE A 14 66.971 8.080 5.974 1.00 0.00 C ATOM 17 C PHE A 14 68.115 7.734 6.923 1.00 0.00 C ATOM 18 O PHE A 14 69.173 8.359 6.887 1.00 0.00 O ATOM 19 CB PHE A 14 65.766 8.589 6.765 1.00 0.00 C ATOM 20 CG PHE A 14 65.894 10.024 7.187 1.00 0.00 C ATOM 21 CD1 PHE A 14 65.813 11.046 6.254 1.00 0.00 C ATOM 22 CD2 PHE A 14 66.106 10.349 8.516 1.00 0.00 C ATOM 23 CE1 PHE A 14 65.943 12.366 6.641 1.00 0.00 C ATOM 24 CE2 PHE A 14 66.235 11.667 8.909 1.00 0.00 C ATOM 25 CZ PHE A 14 66.153 12.677 7.970 1.00 0.00 C ATOM 0 H PHE A 14 66.837 6.022 5.606 1.00 0.00 H new ATOM 0 HA PHE A 14 67.309 8.865 5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 14 64.868 8.475 6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 14 65.633 7.968 7.651 1.00 0.00 H new ATOM 0 HD1 PHE A 14 65.647 10.808 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 14 66.171 9.563 9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 14 65.880 13.154 5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 14 66.400 11.908 9.949 1.00 0.00 H new ATOM 0 HZ PHE A 14 66.253 13.708 8.275 1.00 0.00 H new ATOM 35 N LEU A 15 67.899 6.726 7.762 1.00 0.00 N ATOM 36 CA LEU A 15 68.918 6.292 8.709 1.00 0.00 C ATOM 37 C LEU A 15 69.919 5.368 8.024 1.00 0.00 C ATOM 38 O LEU A 15 71.131 5.523 8.174 1.00 0.00 O ATOM 39 CB LEU A 15 68.269 5.573 9.894 1.00 0.00 C ATOM 40 CG LEU A 15 67.193 6.375 10.629 1.00 0.00 C ATOM 41 CD1 LEU A 15 66.716 5.626 11.866 1.00 0.00 C ATOM 42 CD2 LEU A 15 67.717 7.755 11.005 1.00 0.00 C ATOM 0 H LEU A 15 67.029 6.196 7.805 1.00 0.00 H new ATOM 0 HA LEU A 15 69.446 7.172 9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 15 67.827 4.643 9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.049 5.302 10.606 1.00 0.00 H new ATOM 0 HG LEU A 15 66.343 6.502 9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.951 6.213 12.374 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.298 4.664 11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.557 5.464 12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 15 66.938 8.310 11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.585 7.650 11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.004 8.294 10.102 1.00 0.00 H new ATOM 54 N THR A 16 69.395 4.411 7.264 1.00 0.00 N ATOM 55 CA THR A 16 70.229 3.455 6.543 1.00 0.00 C ATOM 56 C THR A 16 70.993 4.139 5.413 1.00 0.00 C ATOM 57 O THR A 16 72.088 3.715 5.045 1.00 0.00 O ATOM 58 CB THR A 16 69.365 2.328 5.974 1.00 0.00 C ATOM 59 OG1 THR A 16 68.355 1.957 6.894 1.00 0.00 O ATOM 60 CG2 THR A 16 70.154 1.083 5.628 1.00 0.00 C ATOM 0 H THR A 16 68.393 4.277 7.131 1.00 0.00 H new ATOM 0 HA THR A 16 70.951 3.038 7.245 1.00 0.00 H new ATOM 0 HB THR A 16 68.934 2.730 5.057 1.00 0.00 H new ATOM 0 HG1 THR A 16 67.812 1.236 6.511 1.00 0.00 H new ATOM 0 HG21 THR A 16 69.480 0.324 5.230 1.00 0.00 H new ATOM 0 HG22 THR A 16 70.909 1.327 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 16 70.642 0.701 6.525 1.00 0.00 H new ATOM 68 N GLN A 17 70.404 5.198 4.864 1.00 0.00 N ATOM 69 CA GLN A 17 71.029 5.939 3.774 1.00 0.00 C ATOM 70 C GLN A 17 72.305 6.636 4.237 1.00 0.00 C ATOM 71 O GLN A 17 73.117 7.060 3.417 1.00 0.00 O ATOM 72 CB GLN A 17 70.052 6.968 3.198 1.00 0.00 C ATOM 73 CG GLN A 17 70.555 7.632 1.925 1.00 0.00 C ATOM 74 CD GLN A 17 70.674 9.138 2.057 1.00 0.00 C ATOM 75 OE1 GLN A 17 71.689 9.654 2.525 1.00 0.00 O ATOM 76 NE2 GLN A 17 69.634 9.851 1.644 1.00 0.00 N ATOM 0 H GLN A 17 69.497 5.561 5.156 1.00 0.00 H new ATOM 0 HA GLN A 17 71.294 5.223 2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 17 69.100 6.479 2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 17 69.860 7.735 3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 17 71.528 7.216 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 17 69.877 7.396 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 17 68.813 9.381 1.263 1.00 0.00 H new ATOM 0 HE22 GLN A 17 69.656 10.869 1.708 1.00 0.00 H new ATOM 85 N VAL A 18 72.479 6.751 5.552 1.00 0.00 N ATOM 86 CA VAL A 18 73.661 7.396 6.119 1.00 0.00 C ATOM 87 C VAL A 18 74.673 6.359 6.592 1.00 0.00 C ATOM 88 O VAL A 18 75.882 6.559 6.482 1.00 0.00 O ATOM 89 CB VAL A 18 73.287 8.303 7.305 1.00 0.00 C ATOM 90 CG1 VAL A 18 74.507 9.060 7.806 1.00 0.00 C ATOM 91 CG2 VAL A 18 72.178 9.266 6.913 1.00 0.00 C ATOM 0 H VAL A 18 71.816 6.405 6.245 1.00 0.00 H new ATOM 0 HA VAL A 18 74.103 8.003 5.329 1.00 0.00 H new ATOM 0 HB VAL A 18 72.921 7.674 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 18 74.222 9.696 8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 18 75.268 8.350 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 18 74.907 9.678 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 18 71.928 9.899 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 18 72.513 9.889 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 18 71.297 8.701 6.609 1.00 0.00 H new ATOM 101 N LYS A 19 74.167 5.247 7.115 1.00 0.00 N ATOM 102 CA LYS A 19 75.018 4.170 7.607 1.00 0.00 C ATOM 103 C LYS A 19 75.805 3.552 6.463 1.00 0.00 C ATOM 104 O LYS A 19 77.035 3.589 6.445 1.00 0.00 O ATOM 105 CB LYS A 19 74.165 3.099 8.279 1.00 0.00 C ATOM 106 CG LYS A 19 74.574 2.800 9.713 1.00 0.00 C ATOM 107 CD LYS A 19 73.761 3.614 10.707 1.00 0.00 C ATOM 108 CE LYS A 19 72.309 3.167 10.737 1.00 0.00 C ATOM 109 NZ LYS A 19 71.579 3.714 11.916 1.00 0.00 N ATOM 0 H LYS A 19 73.167 5.068 7.209 1.00 0.00 H new ATOM 0 HA LYS A 19 75.717 4.584 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 19 73.123 3.417 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 19 74.225 2.181 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 19 74.441 1.737 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 19 75.634 3.019 9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 19 74.194 3.513 11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 19 73.812 4.670 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 19 71.812 3.489 9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 19 72.266 2.078 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 70.593 3.384 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 72.037 3.386 12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 71.597 4.753 11.884 1.00 0.00 H new ATOM 123 N GLU A 20 75.078 2.992 5.504 1.00 0.00 N ATOM 124 CA GLU A 20 75.698 2.372 4.341 1.00 0.00 C ATOM 125 C GLU A 20 76.559 3.386 3.594 1.00 0.00 C ATOM 126 O GLU A 20 77.433 3.018 2.810 1.00 0.00 O ATOM 127 CB GLU A 20 74.627 1.798 3.411 1.00 0.00 C ATOM 128 CG GLU A 20 73.719 0.782 4.086 1.00 0.00 C ATOM 129 CD GLU A 20 72.944 -0.062 3.093 1.00 0.00 C ATOM 130 OE1 GLU A 20 73.367 -0.138 1.921 1.00 0.00 O ATOM 131 OE2 GLU A 20 71.916 -0.650 3.490 1.00 0.00 O ATOM 0 H GLU A 20 74.059 2.955 5.509 1.00 0.00 H new ATOM 0 HA GLU A 20 76.337 1.557 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 20 74.019 2.615 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 20 75.113 1.328 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.319 0.130 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 20 73.018 1.304 4.738 1.00 0.00 H new ATOM 138 N SER A 21 76.302 4.667 3.848 1.00 0.00 N ATOM 139 CA SER A 21 77.043 5.739 3.214 1.00 0.00 C ATOM 140 C SER A 21 78.379 5.964 3.914 1.00 0.00 C ATOM 141 O SER A 21 79.439 5.885 3.293 1.00 0.00 O ATOM 142 CB SER A 21 76.206 7.010 3.257 1.00 0.00 C ATOM 143 OG SER A 21 76.071 7.583 1.968 1.00 0.00 O ATOM 0 H SER A 21 75.579 4.983 4.495 1.00 0.00 H new ATOM 0 HA SER A 21 77.250 5.467 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 21 75.219 6.784 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 21 76.670 7.731 3.931 1.00 0.00 H new ATOM 0 HG SER A 21 75.527 8.396 2.027 1.00 0.00 H new ATOM 149 N LEU A 22 78.319 6.240 5.214 1.00 0.00 N ATOM 150 CA LEU A 22 79.525 6.465 5.998 1.00 0.00 C ATOM 151 C LEU A 22 80.391 5.213 5.999 1.00 0.00 C ATOM 152 O LEU A 22 81.619 5.292 6.038 1.00 0.00 O ATOM 153 CB LEU A 22 79.169 6.862 7.432 1.00 0.00 C ATOM 154 CG LEU A 22 80.013 7.997 8.017 1.00 0.00 C ATOM 155 CD1 LEU A 22 79.564 9.342 7.462 1.00 0.00 C ATOM 156 CD2 LEU A 22 79.931 7.989 9.536 1.00 0.00 C ATOM 0 H LEU A 22 77.450 6.313 5.743 1.00 0.00 H new ATOM 0 HA LEU A 22 80.085 7.282 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 22 78.120 7.157 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.272 5.986 8.072 1.00 0.00 H new ATOM 0 HG LEU A 22 81.052 7.839 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 80.177 10.135 7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 22 79.675 9.343 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 22 78.519 9.511 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 22 80.536 8.802 9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 22 78.894 8.122 9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.304 7.038 9.915 1.00 0.00 H new ATOM 168 N SER A 23 79.741 4.055 5.942 1.00 0.00 N ATOM 169 CA SER A 23 80.453 2.786 5.921 1.00 0.00 C ATOM 170 C SER A 23 81.196 2.627 4.606 1.00 0.00 C ATOM 171 O SER A 23 82.376 2.274 4.582 1.00 0.00 O ATOM 172 CB SER A 23 79.482 1.622 6.123 1.00 0.00 C ATOM 173 OG SER A 23 79.208 1.420 7.499 1.00 0.00 O ATOM 0 H SER A 23 78.725 3.971 5.910 1.00 0.00 H new ATOM 0 HA SER A 23 81.174 2.779 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 23 78.553 1.822 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 23 79.905 0.713 5.696 1.00 0.00 H new ATOM 0 HG SER A 23 78.584 0.672 7.602 1.00 0.00 H new ATOM 178 N SER A 24 80.503 2.916 3.514 1.00 0.00 N ATOM 179 CA SER A 24 81.101 2.832 2.190 1.00 0.00 C ATOM 180 C SER A 24 82.155 3.918 2.031 1.00 0.00 C ATOM 181 O SER A 24 83.146 3.742 1.322 1.00 0.00 O ATOM 182 CB SER A 24 80.039 2.975 1.107 1.00 0.00 C ATOM 183 OG SER A 24 79.061 1.955 1.210 1.00 0.00 O ATOM 0 H SER A 24 79.526 3.211 3.519 1.00 0.00 H new ATOM 0 HA SER A 24 81.570 1.854 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.560 3.951 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 24 80.510 2.933 0.125 1.00 0.00 H new ATOM 0 HG SER A 24 78.558 2.067 2.044 1.00 0.00 H new ATOM 189 N TYR A 25 81.940 5.038 2.720 1.00 0.00 N ATOM 190 CA TYR A 25 82.864 6.152 2.685 1.00 0.00 C ATOM 191 C TYR A 25 84.254 5.681 3.092 1.00 0.00 C ATOM 192 O TYR A 25 85.265 6.151 2.572 1.00 0.00 O ATOM 193 CB TYR A 25 82.361 7.226 3.641 1.00 0.00 C ATOM 194 CG TYR A 25 82.358 8.620 3.056 1.00 0.00 C ATOM 195 CD1 TYR A 25 81.530 8.943 1.989 1.00 0.00 C ATOM 196 CD2 TYR A 25 83.187 9.611 3.567 1.00 0.00 C ATOM 197 CE1 TYR A 25 81.527 10.215 1.448 1.00 0.00 C ATOM 198 CE2 TYR A 25 83.189 10.886 3.032 1.00 0.00 C ATOM 199 CZ TYR A 25 82.357 11.182 1.972 1.00 0.00 C ATOM 200 OH TYR A 25 82.357 12.449 1.435 1.00 0.00 O ATOM 0 H TYR A 25 81.124 5.191 3.312 1.00 0.00 H new ATOM 0 HA TYR A 25 82.925 6.562 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 25 81.348 6.973 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 25 82.983 7.221 4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 25 80.878 8.188 1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 25 83.841 9.382 4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 25 80.877 10.450 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 25 83.838 11.646 3.442 1.00 0.00 H new ATOM 0 HH TYR A 25 82.998 13.010 1.920 1.00 0.00 H new ATOM 210 N TRP A 26 84.281 4.730 4.021 1.00 0.00 N ATOM 211 CA TRP A 26 85.529 4.159 4.512 1.00 0.00 C ATOM 212 C TRP A 26 85.754 2.766 3.932 1.00 0.00 C ATOM 213 O TRP A 26 86.874 2.253 3.951 1.00 0.00 O ATOM 214 CB TRP A 26 85.514 4.091 6.041 1.00 0.00 C ATOM 215 CG TRP A 26 86.852 3.772 6.630 1.00 0.00 C ATOM 216 CD1 TRP A 26 87.398 2.534 6.805 1.00 0.00 C ATOM 217 CD2 TRP A 26 87.818 4.710 7.117 1.00 0.00 C ATOM 218 NE1 TRP A 26 88.647 2.643 7.368 1.00 0.00 N ATOM 219 CE2 TRP A 26 88.926 3.970 7.570 1.00 0.00 C ATOM 220 CE3 TRP A 26 87.855 6.104 7.212 1.00 0.00 C ATOM 221 CZ2 TRP A 26 90.058 4.576 8.109 1.00 0.00 C ATOM 222 CZ3 TRP A 26 88.979 6.704 7.748 1.00 0.00 C ATOM 223 CH2 TRP A 26 90.067 5.942 8.191 1.00 0.00 C ATOM 0 H TRP A 26 83.444 4.336 4.452 1.00 0.00 H new ATOM 0 HA TRP A 26 86.347 4.803 4.191 1.00 0.00 H new ATOM 0 HB2 TRP A 26 85.168 5.046 6.437 1.00 0.00 H new ATOM 0 HB3 TRP A 26 84.795 3.335 6.358 1.00 0.00 H new ATOM 0 HD1 TRP A 26 86.918 1.603 6.540 1.00 0.00 H new ATOM 0 HE1 TRP A 26 89.265 1.865 7.598 1.00 0.00 H new ATOM 0 HE3 TRP A 26 87.021 6.701 6.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 90.898 3.989 8.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 89.019 7.780 7.827 1.00 0.00 H new ATOM 0 HH2 TRP A 26 90.930 6.442 8.605 1.00 0.00 H new ATOM 234 N GLU A 27 84.692 2.157 3.407 1.00 0.00 N ATOM 235 CA GLU A 27 84.799 0.825 2.823 1.00 0.00 C ATOM 236 C GLU A 27 85.722 0.850 1.613 1.00 0.00 C ATOM 237 O GLU A 27 86.585 -0.014 1.461 1.00 0.00 O ATOM 238 CB GLU A 27 83.418 0.303 2.420 1.00 0.00 C ATOM 239 CG GLU A 27 83.375 -1.201 2.191 1.00 0.00 C ATOM 240 CD GLU A 27 83.102 -1.562 0.744 1.00 0.00 C ATOM 241 OE1 GLU A 27 84.010 -1.382 -0.095 1.00 0.00 O ATOM 242 OE2 GLU A 27 81.981 -2.027 0.449 1.00 0.00 O ATOM 0 H GLU A 27 83.756 2.562 3.375 1.00 0.00 H new ATOM 0 HA GLU A 27 85.220 0.154 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 27 82.700 0.564 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 27 83.100 0.810 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 27 84.325 -1.639 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 27 82.603 -1.639 2.823 1.00 0.00 H new ATOM 249 N SER A 28 85.547 1.857 0.764 1.00 0.00 N ATOM 250 CA SER A 28 86.381 1.998 -0.419 1.00 0.00 C ATOM 251 C SER A 28 87.800 2.348 -0.005 1.00 0.00 C ATOM 252 O SER A 28 88.769 1.860 -0.586 1.00 0.00 O ATOM 253 CB SER A 28 85.813 3.063 -1.355 1.00 0.00 C ATOM 254 OG SER A 28 86.844 3.750 -2.046 1.00 0.00 O ATOM 0 H SER A 28 84.839 2.583 0.874 1.00 0.00 H new ATOM 0 HA SER A 28 86.394 1.051 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 28 85.140 2.596 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 28 85.221 3.775 -0.781 1.00 0.00 H new ATOM 0 HG SER A 28 86.449 4.424 -2.638 1.00 0.00 H new ATOM 260 N ALA A 29 87.913 3.177 1.027 1.00 0.00 N ATOM 261 CA ALA A 29 89.214 3.561 1.542 1.00 0.00 C ATOM 262 C ALA A 29 89.915 2.330 2.090 1.00 0.00 C ATOM 263 O ALA A 29 91.134 2.198 1.997 1.00 0.00 O ATOM 264 CB ALA A 29 89.076 4.627 2.617 1.00 0.00 C ATOM 0 H ALA A 29 87.121 3.592 1.519 1.00 0.00 H new ATOM 0 HA ALA A 29 89.810 3.985 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 29 90.064 4.899 2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 29 88.591 5.508 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 29 88.474 4.239 3.439 1.00 0.00 H new ATOM 270 N LYS A 30 89.119 1.415 2.642 1.00 0.00 N ATOM 271 CA LYS A 30 89.646 0.171 3.186 1.00 0.00 C ATOM 272 C LYS A 30 89.924 -0.815 2.058 1.00 0.00 C ATOM 273 O LYS A 30 90.803 -1.669 2.167 1.00 0.00 O ATOM 274 CB LYS A 30 88.658 -0.435 4.186 1.00 0.00 C ATOM 275 CG LYS A 30 89.284 -0.780 5.528 1.00 0.00 C ATOM 276 CD LYS A 30 88.725 -2.080 6.087 1.00 0.00 C ATOM 277 CE LYS A 30 88.671 -2.054 7.607 1.00 0.00 C ATOM 278 NZ LYS A 30 87.695 -3.043 8.147 1.00 0.00 N ATOM 0 H LYS A 30 88.107 1.515 2.723 1.00 0.00 H new ATOM 0 HA LYS A 30 90.579 0.385 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.840 0.267 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 30 88.224 -1.337 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 30 90.365 -0.866 5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 30 89.101 0.029 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 30 87.724 -2.248 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 30 89.344 -2.915 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 30 89.662 -2.266 8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 30 88.398 -1.054 7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 87.689 -2.993 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 86.745 -2.826 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 87.970 -4.001 7.848 1.00 0.00 H new ATOM 292 N THR A 31 89.172 -0.679 0.967 1.00 0.00 N ATOM 293 CA THR A 31 89.338 -1.541 -0.187 1.00 0.00 C ATOM 294 C THR A 31 90.602 -1.161 -0.945 1.00 0.00 C ATOM 295 O THR A 31 91.487 -1.989 -1.157 1.00 0.00 O ATOM 296 CB THR A 31 88.127 -1.418 -1.105 1.00 0.00 C ATOM 297 OG1 THR A 31 86.958 -1.902 -0.467 1.00 0.00 O ATOM 298 CG2 THR A 31 88.283 -2.165 -2.407 1.00 0.00 C ATOM 0 H THR A 31 88.441 0.025 0.864 1.00 0.00 H new ATOM 0 HA THR A 31 89.425 -2.573 0.153 1.00 0.00 H new ATOM 0 HB THR A 31 88.043 -0.354 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 31 86.739 -1.326 0.295 1.00 0.00 H new ATOM 0 HG21 THR A 31 87.385 -2.035 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 31 89.145 -1.776 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 31 88.432 -3.225 -2.203 1.00 0.00 H new ATOM 306 N ALA A 32 90.683 0.109 -1.339 1.00 0.00 N ATOM 307 CA ALA A 32 91.845 0.610 -2.056 1.00 0.00 C ATOM 308 C ALA A 32 93.107 0.348 -1.250 1.00 0.00 C ATOM 309 O ALA A 32 94.204 0.243 -1.800 1.00 0.00 O ATOM 310 CB ALA A 32 91.693 2.095 -2.347 1.00 0.00 C ATOM 0 H ALA A 32 89.957 0.806 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 32 91.924 0.084 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 32 92.572 2.452 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 32 90.804 2.257 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 32 91.594 2.641 -1.409 1.00 0.00 H new ATOM 316 N ALA A 33 92.933 0.221 0.062 1.00 0.00 N ATOM 317 CA ALA A 33 94.048 -0.053 0.953 1.00 0.00 C ATOM 318 C ALA A 33 94.448 -1.515 0.852 1.00 0.00 C ATOM 319 O ALA A 33 95.629 -1.850 0.897 1.00 0.00 O ATOM 320 CB ALA A 33 93.685 0.305 2.388 1.00 0.00 C ATOM 0 H ALA A 33 92.030 0.304 0.529 1.00 0.00 H new ATOM 0 HA ALA A 33 94.896 0.563 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 33 94.532 0.093 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 33 93.437 1.365 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 33 92.826 -0.287 2.704 1.00 0.00 H new ATOM 326 N GLN A 34 93.452 -2.386 0.699 1.00 0.00 N ATOM 327 CA GLN A 34 93.709 -3.816 0.581 1.00 0.00 C ATOM 328 C GLN A 34 94.658 -4.087 -0.578 1.00 0.00 C ATOM 329 O GLN A 34 95.549 -4.930 -0.484 1.00 0.00 O ATOM 330 CB GLN A 34 92.396 -4.582 0.382 1.00 0.00 C ATOM 331 CG GLN A 34 92.187 -5.703 1.387 1.00 0.00 C ATOM 332 CD GLN A 34 91.797 -5.188 2.760 1.00 0.00 C ATOM 333 OE1 GLN A 34 92.517 -4.395 3.366 1.00 0.00 O ATOM 334 NE2 GLN A 34 90.651 -5.639 3.258 1.00 0.00 N ATOM 0 H GLN A 34 92.467 -2.127 0.654 1.00 0.00 H new ATOM 0 HA GLN A 34 94.175 -4.161 1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 34 91.563 -3.883 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 34 92.378 -5.000 -0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 34 91.411 -6.375 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 34 93.103 -6.289 1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 34 90.085 -6.296 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 34 90.337 -5.328 4.177 1.00 0.00 H new ATOM 343 N ASN A 35 94.468 -3.358 -1.669 1.00 0.00 N ATOM 344 CA ASN A 35 95.303 -3.504 -2.843 1.00 0.00 C ATOM 345 C ASN A 35 96.704 -2.959 -2.582 1.00 0.00 C ATOM 346 O ASN A 35 97.700 -3.636 -2.819 1.00 0.00 O ATOM 347 CB ASN A 35 94.658 -2.759 -4.005 1.00 0.00 C ATOM 348 CG ASN A 35 94.571 -3.597 -5.266 1.00 0.00 C ATOM 349 OD1 ASN A 35 95.577 -3.849 -5.928 1.00 0.00 O ATOM 350 ND2 ASN A 35 93.363 -4.032 -5.605 1.00 0.00 N ATOM 0 H ASN A 35 93.735 -2.655 -1.761 1.00 0.00 H new ATOM 0 HA ASN A 35 95.394 -4.562 -3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 35 93.656 -2.442 -3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 35 95.231 -1.855 -4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 35 93.242 -4.599 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 35 92.556 -3.799 -5.026 1.00 0.00 H new ATOM 357 N LEU A 36 96.765 -1.724 -2.100 1.00 0.00 N ATOM 358 CA LEU A 36 98.022 -1.064 -1.814 1.00 0.00 C ATOM 359 C LEU A 36 98.774 -1.725 -0.660 1.00 0.00 C ATOM 360 O LEU A 36 99.989 -1.579 -0.542 1.00 0.00 O ATOM 361 CB LEU A 36 97.726 0.391 -1.480 1.00 0.00 C ATOM 362 CG LEU A 36 98.475 1.424 -2.325 1.00 0.00 C ATOM 363 CD1 LEU A 36 97.533 2.529 -2.775 1.00 0.00 C ATOM 364 CD2 LEU A 36 99.647 2.005 -1.549 1.00 0.00 C ATOM 0 H LEU A 36 95.942 -1.156 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 36 98.665 -1.140 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 36 96.655 0.562 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 36 97.967 0.561 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 36 98.866 0.923 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 36 98.083 3.254 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 36 96.728 2.100 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.111 3.026 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 36 100.166 2.737 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 36 99.280 2.490 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 36 100.336 1.205 -1.278 1.00 0.00 H new ATOM 376 N TYR A 37 98.049 -2.431 0.204 1.00 0.00 N ATOM 377 CA TYR A 37 98.677 -3.080 1.354 1.00 0.00 C ATOM 378 C TYR A 37 98.725 -4.601 1.218 1.00 0.00 C ATOM 379 O TYR A 37 99.299 -5.280 2.069 1.00 0.00 O ATOM 380 CB TYR A 37 97.946 -2.699 2.642 1.00 0.00 C ATOM 381 CG TYR A 37 98.608 -1.574 3.407 1.00 0.00 C ATOM 382 CD1 TYR A 37 98.468 -0.253 2.999 1.00 0.00 C ATOM 383 CD2 TYR A 37 99.371 -1.834 4.538 1.00 0.00 C ATOM 384 CE1 TYR A 37 99.071 0.777 3.697 1.00 0.00 C ATOM 385 CE2 TYR A 37 99.976 -0.810 5.241 1.00 0.00 C ATOM 386 CZ TYR A 37 99.823 0.493 4.816 1.00 0.00 C ATOM 387 OH TYR A 37 100.424 1.515 5.515 1.00 0.00 O ATOM 0 H TYR A 37 97.041 -2.568 0.133 1.00 0.00 H new ATOM 0 HA TYR A 37 99.707 -2.724 1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 37 96.924 -2.408 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 37 97.882 -3.576 3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 37 97.879 -0.027 2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 37 99.493 -2.853 4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 37 98.953 1.799 3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 37 100.566 -1.029 6.119 1.00 0.00 H new ATOM 0 HH TYR A 37 100.916 1.145 6.278 1.00 0.00 H new ATOM 397 N GLU A 38 98.122 -5.140 0.167 1.00 0.00 N ATOM 398 CA GLU A 38 98.120 -6.589 -0.032 1.00 0.00 C ATOM 399 C GLU A 38 98.376 -6.977 -1.487 1.00 0.00 C ATOM 400 O GLU A 38 99.016 -7.992 -1.756 1.00 0.00 O ATOM 401 CB GLU A 38 96.800 -7.195 0.453 1.00 0.00 C ATOM 402 CG GLU A 38 96.983 -8.244 1.536 1.00 0.00 C ATOM 403 CD GLU A 38 97.961 -9.331 1.136 1.00 0.00 C ATOM 404 OE1 GLU A 38 97.523 -10.326 0.519 1.00 0.00 O ATOM 405 OE2 GLU A 38 99.163 -9.188 1.439 1.00 0.00 O ATOM 0 H GLU A 38 97.634 -4.608 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 38 98.941 -6.993 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 38 96.160 -6.398 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 38 96.281 -7.644 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 38 97.335 -7.762 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 38 96.018 -8.695 1.766 1.00 0.00 H new ATOM 412 N LYS A 39 97.877 -6.180 -2.424 1.00 0.00 N ATOM 413 CA LYS A 39 98.065 -6.472 -3.844 1.00 0.00 C ATOM 414 C LYS A 39 99.387 -5.905 -4.355 1.00 0.00 C ATOM 415 O LYS A 39 100.184 -6.613 -4.971 1.00 0.00 O ATOM 416 CB LYS A 39 96.909 -5.900 -4.668 1.00 0.00 C ATOM 417 CG LYS A 39 95.612 -6.683 -4.534 1.00 0.00 C ATOM 418 CD LYS A 39 95.258 -7.400 -5.828 1.00 0.00 C ATOM 419 CE LYS A 39 93.753 -7.487 -6.025 1.00 0.00 C ATOM 420 NZ LYS A 39 93.338 -8.825 -6.529 1.00 0.00 N ATOM 0 H LYS A 39 97.343 -5.333 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 39 98.086 -7.556 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 39 96.733 -4.869 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 39 97.201 -5.876 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 39 95.706 -7.410 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 39 94.803 -6.006 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 39 95.706 -6.874 -6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 39 95.683 -8.404 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 39 93.250 -7.283 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 39 93.433 -6.718 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 92.305 -8.845 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 93.798 -9.010 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 93.620 -9.556 -5.846 1.00 0.00 H new ATOM 434 N THR A 40 99.601 -4.619 -4.108 1.00 0.00 N ATOM 435 CA THR A 40 100.807 -3.934 -4.543 1.00 0.00 C ATOM 436 C THR A 40 101.941 -4.091 -3.532 1.00 0.00 C ATOM 437 O THR A 40 103.087 -3.740 -3.818 1.00 0.00 O ATOM 438 CB THR A 40 100.496 -2.453 -4.747 1.00 0.00 C ATOM 439 OG1 THR A 40 99.474 -2.283 -5.713 1.00 0.00 O ATOM 440 CG2 THR A 40 101.688 -1.643 -5.194 1.00 0.00 C ATOM 0 H THR A 40 98.944 -4.025 -3.602 1.00 0.00 H new ATOM 0 HA THR A 40 101.136 -4.382 -5.480 1.00 0.00 H new ATOM 0 HB THR A 40 100.181 -2.090 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 40 99.288 -1.328 -5.828 1.00 0.00 H new ATOM 0 HG21 THR A 40 101.394 -0.601 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 40 102.476 -1.710 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 40 102.057 -2.032 -6.143 1.00 0.00 H new ATOM 448 N TYR A 41 101.620 -4.603 -2.350 1.00 0.00 N ATOM 449 CA TYR A 41 102.612 -4.786 -1.304 1.00 0.00 C ATOM 450 C TYR A 41 103.679 -5.795 -1.717 1.00 0.00 C ATOM 451 O TYR A 41 104.795 -5.422 -2.077 1.00 0.00 O ATOM 452 CB TYR A 41 101.925 -5.235 -0.013 1.00 0.00 C ATOM 453 CG TYR A 41 102.287 -4.395 1.192 1.00 0.00 C ATOM 454 CD1 TYR A 41 102.388 -3.013 1.094 1.00 0.00 C ATOM 455 CD2 TYR A 41 102.527 -4.984 2.426 1.00 0.00 C ATOM 456 CE1 TYR A 41 102.719 -2.242 2.192 1.00 0.00 C ATOM 457 CE2 TYR A 41 102.857 -4.219 3.530 1.00 0.00 C ATOM 458 CZ TYR A 41 102.952 -2.850 3.407 1.00 0.00 C ATOM 459 OH TYR A 41 103.279 -2.084 4.502 1.00 0.00 O ATOM 0 H TYR A 41 100.678 -4.899 -2.094 1.00 0.00 H new ATOM 0 HA TYR A 41 103.110 -3.831 -1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 41 100.845 -5.203 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 41 102.189 -6.274 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 41 102.205 -2.533 0.144 1.00 0.00 H new ATOM 0 HD2 TYR A 41 102.455 -6.057 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 41 102.795 -1.169 2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 41 103.039 -4.692 4.484 1.00 0.00 H new ATOM 0 HH TYR A 41 102.471 -1.659 4.857 1.00 0.00 H new ATOM 469 N LEU A 42 103.334 -7.074 -1.649 1.00 0.00 N ATOM 470 CA LEU A 42 104.271 -8.138 -2.002 1.00 0.00 C ATOM 471 C LEU A 42 103.884 -8.841 -3.305 1.00 0.00 C ATOM 472 O LEU A 42 104.730 -9.040 -4.177 1.00 0.00 O ATOM 473 CB LEU A 42 104.370 -9.154 -0.863 1.00 0.00 C ATOM 474 CG LEU A 42 104.345 -8.548 0.544 1.00 0.00 C ATOM 475 CD1 LEU A 42 103.002 -8.793 1.213 1.00 0.00 C ATOM 476 CD2 LEU A 42 105.478 -9.111 1.389 1.00 0.00 C ATOM 0 H LEU A 42 102.414 -7.402 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 42 105.245 -7.674 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.545 -9.861 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 42 105.292 -9.723 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 42 104.487 -7.471 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.007 -8.354 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.211 -8.335 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.824 -9.866 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 105.444 -8.669 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 42 105.370 -10.193 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 42 106.433 -8.875 0.920 1.00 0.00 H new ATOM 488 N PRO A 43 102.607 -9.240 -3.465 1.00 0.00 N ATOM 489 CA PRO A 43 102.142 -9.932 -4.675 1.00 0.00 C ATOM 490 C PRO A 43 102.068 -9.014 -5.895 1.00 0.00 C ATOM 491 O PRO A 43 101.065 -9.002 -6.610 1.00 0.00 O ATOM 492 CB PRO A 43 100.732 -10.426 -4.302 1.00 0.00 C ATOM 493 CG PRO A 43 100.601 -10.206 -2.832 1.00 0.00 C ATOM 494 CD PRO A 43 101.521 -9.070 -2.496 1.00 0.00 C ATOM 0 HA PRO A 43 102.829 -10.729 -4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 43 99.967 -9.876 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 43 100.608 -11.479 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 43 99.572 -9.966 -2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 43 100.873 -11.104 -2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 43 101.028 -8.104 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 43 101.881 -9.130 -1.469 1.00 0.00 H new ATOM 502 N ALA A 44 103.131 -8.253 -6.139 1.00 0.00 N ATOM 503 CA ALA A 44 103.163 -7.347 -7.280 1.00 0.00 C ATOM 504 C ALA A 44 104.554 -6.759 -7.507 1.00 0.00 C ATOM 505 O ALA A 44 104.691 -5.711 -8.137 1.00 0.00 O ATOM 506 CB ALA A 44 102.151 -6.230 -7.091 1.00 0.00 C ATOM 0 H ALA A 44 103.975 -8.246 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 44 102.903 -7.928 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 44 102.184 -5.560 -7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 44 101.152 -6.656 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 44 102.390 -5.672 -6.186 1.00 0.00 H new ATOM 512 N VAL A 45 105.583 -7.426 -6.992 1.00 0.00 N ATOM 513 CA VAL A 45 106.947 -6.954 -7.151 1.00 0.00 C ATOM 514 C VAL A 45 107.923 -8.136 -7.190 1.00 0.00 C ATOM 515 O VAL A 45 108.196 -8.694 -8.253 1.00 0.00 O ATOM 516 CB VAL A 45 107.325 -5.980 -6.011 1.00 0.00 C ATOM 517 CG1 VAL A 45 108.792 -5.581 -6.086 1.00 0.00 C ATOM 518 CG2 VAL A 45 106.435 -4.747 -6.046 1.00 0.00 C ATOM 0 H VAL A 45 105.494 -8.293 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 45 107.014 -6.417 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 45 107.168 -6.498 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 45 109.025 -4.896 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 45 109.416 -6.471 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 45 108.987 -5.090 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 45 106.715 -4.073 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 45 106.557 -4.237 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 45 105.394 -5.046 -5.925 1.00 0.00 H new ATOM 528 N ASP A 46 108.425 -8.520 -6.021 1.00 0.00 N ATOM 529 CA ASP A 46 109.348 -9.640 -5.895 1.00 0.00 C ATOM 530 C ASP A 46 110.545 -9.538 -6.835 1.00 0.00 C ATOM 531 O ASP A 46 110.527 -10.059 -7.948 1.00 0.00 O ATOM 532 CB ASP A 46 108.618 -10.961 -6.133 1.00 0.00 C ATOM 533 CG ASP A 46 107.548 -11.231 -5.093 1.00 0.00 C ATOM 534 OD1 ASP A 46 106.891 -10.265 -4.652 1.00 0.00 O ATOM 535 OD2 ASP A 46 107.366 -12.410 -4.721 1.00 0.00 O ATOM 0 H ASP A 46 108.203 -8.064 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 46 109.735 -9.606 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 46 108.162 -10.947 -7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 46 109.340 -11.777 -6.126 1.00 0.00 H new ATOM 540 N GLU A 47 111.599 -8.904 -6.339 1.00 0.00 N ATOM 541 CA GLU A 47 112.851 -8.760 -7.081 1.00 0.00 C ATOM 542 C GLU A 47 112.680 -8.008 -8.399 1.00 0.00 C ATOM 543 O GLU A 47 113.134 -6.872 -8.535 1.00 0.00 O ATOM 544 CB GLU A 47 113.451 -10.139 -7.354 1.00 0.00 C ATOM 545 CG GLU A 47 114.891 -10.280 -6.887 1.00 0.00 C ATOM 546 CD GLU A 47 114.995 -10.669 -5.425 1.00 0.00 C ATOM 547 OE1 GLU A 47 114.087 -11.371 -4.931 1.00 0.00 O ATOM 548 OE2 GLU A 47 115.984 -10.273 -4.775 1.00 0.00 O ATOM 0 H GLU A 47 111.614 -8.475 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 47 113.522 -8.168 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 47 112.842 -10.895 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 47 113.403 -10.341 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 47 115.394 -11.031 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 47 115.415 -9.337 -7.046 1.00 0.00 H new ATOM 555 N LYS A 48 112.040 -8.656 -9.374 1.00 0.00 N ATOM 556 CA LYS A 48 111.823 -8.060 -10.694 1.00 0.00 C ATOM 557 C LYS A 48 111.451 -6.593 -10.565 1.00 0.00 C ATOM 558 O LYS A 48 111.819 -5.766 -11.399 1.00 0.00 O ATOM 559 CB LYS A 48 110.724 -8.814 -11.447 1.00 0.00 C ATOM 560 CG LYS A 48 111.223 -10.053 -12.175 1.00 0.00 C ATOM 561 CD LYS A 48 110.521 -11.309 -11.685 1.00 0.00 C ATOM 562 CE LYS A 48 109.337 -11.667 -12.571 1.00 0.00 C ATOM 563 NZ LYS A 48 109.075 -13.133 -12.585 1.00 0.00 N ATOM 0 H LYS A 48 111.661 -9.598 -9.274 1.00 0.00 H new ATOM 0 HA LYS A 48 112.753 -8.136 -11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 48 109.947 -9.106 -10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 48 110.262 -8.140 -12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 48 111.058 -9.938 -13.246 1.00 0.00 H new ATOM 0 HG3 LYS A 48 112.298 -10.155 -12.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 111.228 -12.139 -11.667 1.00 0.00 H new ATOM 0 HD3 LYS A 48 110.179 -11.160 -10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 48 108.449 -11.143 -12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 48 109.527 -11.323 -13.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 108.261 -13.334 -13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 109.913 -13.632 -12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 108.868 -13.458 -11.619 1.00 0.00 H new ATOM 577 N LEU A 49 110.726 -6.288 -9.503 1.00 0.00 N ATOM 578 CA LEU A 49 110.297 -4.926 -9.229 1.00 0.00 C ATOM 579 C LEU A 49 110.957 -4.395 -7.959 1.00 0.00 C ATOM 580 O LEU A 49 111.062 -3.184 -7.768 1.00 0.00 O ATOM 581 CB LEU A 49 108.782 -4.885 -9.097 1.00 0.00 C ATOM 582 CG LEU A 49 108.026 -4.814 -10.427 1.00 0.00 C ATOM 583 CD1 LEU A 49 106.915 -5.853 -10.477 1.00 0.00 C ATOM 584 CD2 LEU A 49 107.465 -3.417 -10.654 1.00 0.00 C ATOM 0 H LEU A 49 110.419 -6.971 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 49 110.602 -4.288 -10.058 1.00 0.00 H new ATOM 0 HB2 LEU A 49 108.454 -5.772 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 49 108.507 -4.021 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 49 108.732 -5.034 -11.228 1.00 0.00 H new ATOM 0 HD11 LEU A 49 106.393 -5.782 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 49 107.344 -6.850 -10.371 1.00 0.00 H new ATOM 0 HD13 LEU A 49 106.211 -5.673 -9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 49 106.932 -3.389 -11.604 1.00 0.00 H new ATOM 0 HD22 LEU A 49 106.779 -3.165 -9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 49 108.282 -2.696 -10.675 1.00 0.00 H new ATOM 596 N ARG A 50 111.403 -5.304 -7.089 1.00 0.00 N ATOM 597 CA ARG A 50 112.051 -4.904 -5.846 1.00 0.00 C ATOM 598 C ARG A 50 113.550 -4.680 -6.046 1.00 0.00 C ATOM 599 O ARG A 50 114.288 -4.484 -5.080 1.00 0.00 O ATOM 600 CB ARG A 50 111.820 -5.965 -4.768 1.00 0.00 C ATOM 601 CG ARG A 50 111.641 -5.391 -3.371 1.00 0.00 C ATOM 602 CD ARG A 50 112.154 -6.348 -2.306 1.00 0.00 C ATOM 603 NE ARG A 50 111.242 -7.471 -2.091 1.00 0.00 N ATOM 604 CZ ARG A 50 111.412 -8.393 -1.144 1.00 0.00 C ATOM 605 NH1 ARG A 50 112.454 -8.331 -0.327 1.00 0.00 N ATOM 606 NH2 ARG A 50 110.536 -9.381 -1.015 1.00 0.00 N ATOM 0 H ARG A 50 111.327 -6.312 -7.224 1.00 0.00 H new ATOM 0 HA ARG A 50 111.609 -3.961 -5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 50 110.936 -6.547 -5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 50 112.665 -6.654 -4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 50 112.172 -4.442 -3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 50 110.586 -5.181 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 50 113.132 -6.727 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 50 112.291 -5.808 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 50 110.429 -7.553 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.132 -7.574 -0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 50 112.578 -9.040 0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 50 109.732 -9.435 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 50 110.666 -10.087 -0.290 1.00 0.00 H new ATOM 620 N ASP A 51 113.999 -4.709 -7.300 1.00 0.00 N ATOM 621 CA ASP A 51 115.409 -4.509 -7.611 1.00 0.00 C ATOM 622 C ASP A 51 115.660 -3.098 -8.138 1.00 0.00 C ATOM 623 O ASP A 51 116.668 -2.475 -7.816 1.00 0.00 O ATOM 624 CB ASP A 51 115.881 -5.540 -8.640 1.00 0.00 C ATOM 625 CG ASP A 51 116.601 -6.710 -7.996 1.00 0.00 C ATOM 626 OD1 ASP A 51 117.250 -6.503 -6.949 1.00 0.00 O ATOM 627 OD2 ASP A 51 116.518 -7.832 -8.539 1.00 0.00 O ATOM 0 H ASP A 51 113.406 -4.869 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 51 115.976 -4.639 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 51 115.022 -5.909 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 51 116.546 -5.057 -9.356 1.00 0.00 H new ATOM 632 N LEU A 52 114.741 -2.597 -8.953 1.00 0.00 N ATOM 633 CA LEU A 52 114.886 -1.258 -9.518 1.00 0.00 C ATOM 634 C LEU A 52 115.070 -0.214 -8.419 1.00 0.00 C ATOM 635 O LEU A 52 115.646 0.848 -8.650 1.00 0.00 O ATOM 636 CB LEU A 52 113.672 -0.905 -10.382 1.00 0.00 C ATOM 637 CG LEU A 52 112.331 -0.881 -9.643 1.00 0.00 C ATOM 638 CD1 LEU A 52 111.691 0.495 -9.735 1.00 0.00 C ATOM 639 CD2 LEU A 52 111.397 -1.943 -10.205 1.00 0.00 C ATOM 0 H LEU A 52 113.894 -3.090 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 52 115.778 -1.255 -10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 52 113.838 0.074 -10.832 1.00 0.00 H new ATOM 0 HB3 LEU A 52 113.606 -1.624 -11.199 1.00 0.00 H new ATOM 0 HG LEU A 52 112.514 -1.102 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 52 110.739 0.490 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 52 112.353 1.235 -9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 52 111.521 0.748 -10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 52 110.448 -1.913 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 52 111.222 -1.751 -11.264 1.00 0.00 H new ATOM 0 HD23 LEU A 52 111.851 -2.927 -10.085 1.00 0.00 H new ATOM 651 N TYR A 53 114.577 -0.526 -7.225 1.00 0.00 N ATOM 652 CA TYR A 53 114.678 0.383 -6.084 1.00 0.00 C ATOM 653 C TYR A 53 115.820 -0.014 -5.151 1.00 0.00 C ATOM 654 O TYR A 53 116.695 0.791 -4.842 1.00 0.00 O ATOM 655 CB TYR A 53 113.370 0.376 -5.297 1.00 0.00 C ATOM 656 CG TYR A 53 113.028 1.719 -4.698 1.00 0.00 C ATOM 657 CD1 TYR A 53 113.761 2.231 -3.633 1.00 0.00 C ATOM 658 CD2 TYR A 53 111.988 2.486 -5.207 1.00 0.00 C ATOM 659 CE1 TYR A 53 113.465 3.468 -3.093 1.00 0.00 C ATOM 660 CE2 TYR A 53 111.684 3.723 -4.669 1.00 0.00 C ATOM 661 CZ TYR A 53 112.427 4.209 -3.613 1.00 0.00 C ATOM 662 OH TYR A 53 112.128 5.443 -3.076 1.00 0.00 O ATOM 0 H TYR A 53 114.101 -1.405 -7.020 1.00 0.00 H new ATOM 0 HA TYR A 53 114.879 1.381 -6.474 1.00 0.00 H new ATOM 0 HB2 TYR A 53 112.560 0.062 -5.955 1.00 0.00 H new ATOM 0 HB3 TYR A 53 113.438 -0.364 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 53 114.575 1.653 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 53 111.407 2.110 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 53 114.045 3.852 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 53 110.869 4.306 -5.073 1.00 0.00 H new ATOM 0 HH TYR A 53 111.370 5.835 -3.558 1.00 0.00 H new ATOM 672 N SER A 54 115.786 -1.259 -4.691 1.00 0.00 N ATOM 673 CA SER A 54 116.795 -1.774 -3.765 1.00 0.00 C ATOM 674 C SER A 54 118.042 -2.287 -4.482 1.00 0.00 C ATOM 675 O SER A 54 118.740 -3.163 -3.972 1.00 0.00 O ATOM 676 CB SER A 54 116.198 -2.893 -2.912 1.00 0.00 C ATOM 677 OG SER A 54 116.882 -3.014 -1.678 1.00 0.00 O ATOM 0 H SER A 54 115.067 -1.937 -4.944 1.00 0.00 H new ATOM 0 HA SER A 54 117.102 -0.941 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 54 115.143 -2.691 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 54 116.252 -3.837 -3.455 1.00 0.00 H new ATOM 0 HG SER A 54 117.841 -3.125 -1.845 1.00 0.00 H new ATOM 683 N LYS A 55 118.330 -1.732 -5.651 1.00 0.00 N ATOM 684 CA LYS A 55 119.509 -2.133 -6.414 1.00 0.00 C ATOM 685 C LYS A 55 120.091 -0.940 -7.169 1.00 0.00 C ATOM 686 O LYS A 55 121.308 -0.797 -7.279 1.00 0.00 O ATOM 687 CB LYS A 55 119.169 -3.269 -7.382 1.00 0.00 C ATOM 688 CG LYS A 55 120.200 -4.385 -7.401 1.00 0.00 C ATOM 689 CD LYS A 55 121.330 -4.088 -8.373 1.00 0.00 C ATOM 690 CE LYS A 55 120.871 -4.214 -9.818 1.00 0.00 C ATOM 691 NZ LYS A 55 120.569 -5.625 -10.188 1.00 0.00 N ATOM 0 H LYS A 55 117.767 -1.005 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 55 120.261 -2.497 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.199 -3.687 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.071 -2.860 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 55 120.608 -4.521 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 55 119.717 -5.322 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 55 121.707 -3.081 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 55 122.157 -4.775 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 55 119.982 -3.601 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 55 121.645 -3.824 -10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 120.492 -5.704 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 121.333 -6.244 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.670 -5.914 -9.751 1.00 0.00 H new ATOM 705 N SER A 56 119.214 -0.076 -7.673 1.00 0.00 N ATOM 706 CA SER A 56 119.648 1.111 -8.403 1.00 0.00 C ATOM 707 C SER A 56 119.658 2.333 -7.489 1.00 0.00 C ATOM 708 O SER A 56 120.409 3.282 -7.712 1.00 0.00 O ATOM 709 CB SER A 56 118.732 1.369 -9.597 1.00 0.00 C ATOM 710 OG SER A 56 118.547 0.193 -10.365 1.00 0.00 O ATOM 0 H SER A 56 118.202 -0.175 -7.590 1.00 0.00 H new ATOM 0 HA SER A 56 120.661 0.933 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 56 117.766 1.733 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 56 119.159 2.152 -10.224 1.00 0.00 H new ATOM 0 HG SER A 56 117.955 0.386 -11.122 1.00 0.00 H new ATOM 716 N THR A 57 118.816 2.302 -6.461 1.00 0.00 N ATOM 717 CA THR A 57 118.724 3.404 -5.512 1.00 0.00 C ATOM 718 C THR A 57 119.416 3.053 -4.198 1.00 0.00 C ATOM 719 O THR A 57 119.804 3.939 -3.437 1.00 0.00 O ATOM 720 CB THR A 57 117.257 3.756 -5.249 1.00 0.00 C ATOM 721 OG1 THR A 57 116.563 3.957 -6.468 1.00 0.00 O ATOM 722 CG2 THR A 57 117.079 5.000 -4.407 1.00 0.00 C ATOM 0 H THR A 57 118.187 1.524 -6.264 1.00 0.00 H new ATOM 0 HA THR A 57 119.228 4.267 -5.947 1.00 0.00 H new ATOM 0 HB THR A 57 116.852 2.907 -4.699 1.00 0.00 H new ATOM 0 HG1 THR A 57 115.627 4.179 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.016 5.191 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.559 4.856 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 57 117.533 5.851 -4.914 1.00 0.00 H new ATOM 730 N ALA A 58 119.566 1.757 -3.935 1.00 0.00 N ATOM 731 CA ALA A 58 120.209 1.295 -2.709 1.00 0.00 C ATOM 732 C ALA A 58 121.631 0.819 -2.973 1.00 0.00 C ATOM 733 O ALA A 58 122.533 1.052 -2.169 1.00 0.00 O ATOM 734 CB ALA A 58 119.387 0.184 -2.071 1.00 0.00 C ATOM 0 H ALA A 58 119.251 1.010 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 58 120.263 2.137 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 58 119.877 -0.152 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 58 118.392 0.559 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 58 119.303 -0.651 -2.766 1.00 0.00 H new ATOM 740 N ALA A 59 121.830 0.153 -4.104 1.00 0.00 N ATOM 741 CA ALA A 59 123.152 -0.346 -4.462 1.00 0.00 C ATOM 742 C ALA A 59 123.983 0.730 -5.160 1.00 0.00 C ATOM 743 O ALA A 59 125.095 0.462 -5.615 1.00 0.00 O ATOM 744 CB ALA A 59 123.036 -1.583 -5.340 1.00 0.00 C ATOM 0 H ALA A 59 121.099 -0.053 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 59 123.666 -0.619 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 59 124.033 -1.941 -5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 59 122.498 -2.363 -4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 59 122.494 -1.332 -6.252 1.00 0.00 H new ATOM 750 N MET A 60 123.443 1.945 -5.249 1.00 0.00 N ATOM 751 CA MET A 60 124.157 3.043 -5.900 1.00 0.00 C ATOM 752 C MET A 60 124.224 4.282 -5.008 1.00 0.00 C ATOM 753 O MET A 60 125.139 5.097 -5.139 1.00 0.00 O ATOM 754 CB MET A 60 123.489 3.394 -7.231 1.00 0.00 C ATOM 755 CG MET A 60 123.352 2.206 -8.171 1.00 0.00 C ATOM 756 SD MET A 60 124.038 2.524 -9.809 1.00 0.00 S ATOM 757 CE MET A 60 125.782 2.259 -9.503 1.00 0.00 C ATOM 0 H MET A 60 122.524 2.193 -4.883 1.00 0.00 H new ATOM 0 HA MET A 60 125.178 2.708 -6.084 1.00 0.00 H new ATOM 0 HB2 MET A 60 122.500 3.808 -7.034 1.00 0.00 H new ATOM 0 HB3 MET A 60 124.069 4.174 -7.725 1.00 0.00 H new ATOM 0 HG2 MET A 60 123.854 1.343 -7.734 1.00 0.00 H new ATOM 0 HG3 MET A 60 122.298 1.946 -8.268 1.00 0.00 H new ATOM 0 HE1 MET A 60 126.342 2.419 -10.425 1.00 0.00 H new ATOM 0 HE2 MET A 60 126.128 2.959 -8.742 1.00 0.00 H new ATOM 0 HE3 MET A 60 125.939 1.238 -9.156 1.00 0.00 H new ATOM 767 N SER A 61 123.258 4.425 -4.106 1.00 0.00 N ATOM 768 CA SER A 61 123.221 5.573 -3.204 1.00 0.00 C ATOM 769 C SER A 61 123.677 5.186 -1.799 1.00 0.00 C ATOM 770 O SER A 61 124.114 6.038 -1.025 1.00 0.00 O ATOM 771 CB SER A 61 121.809 6.160 -3.157 1.00 0.00 C ATOM 772 OG SER A 61 121.817 7.537 -3.496 1.00 0.00 O ATOM 0 H SER A 61 122.492 3.763 -3.980 1.00 0.00 H new ATOM 0 HA SER A 61 123.909 6.327 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 61 121.163 5.616 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 61 121.391 6.030 -2.159 1.00 0.00 H new ATOM 0 HG SER A 61 120.903 7.888 -3.460 1.00 0.00 H new ATOM 778 N THR A 62 123.569 3.901 -1.469 1.00 0.00 N ATOM 779 CA THR A 62 123.969 3.418 -0.152 1.00 0.00 C ATOM 780 C THR A 62 125.442 3.012 -0.127 1.00 0.00 C ATOM 781 O THR A 62 126.008 2.783 0.943 1.00 0.00 O ATOM 782 CB THR A 62 123.095 2.236 0.269 1.00 0.00 C ATOM 783 OG1 THR A 62 121.780 2.379 -0.241 1.00 0.00 O ATOM 784 CG2 THR A 62 122.985 2.075 1.771 1.00 0.00 C ATOM 0 H THR A 62 123.209 3.179 -2.093 1.00 0.00 H new ATOM 0 HA THR A 62 123.832 4.236 0.555 1.00 0.00 H new ATOM 0 HB THR A 62 123.587 1.354 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 62 121.554 1.597 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 62 122.351 1.218 2.000 1.00 0.00 H new ATOM 0 HG22 THR A 62 123.977 1.915 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 62 122.548 2.975 2.202 1.00 0.00 H new ATOM 792 N TYR A 63 126.066 2.930 -1.299 1.00 0.00 N ATOM 793 CA TYR A 63 127.466 2.561 -1.391 1.00 0.00 C ATOM 794 C TYR A 63 128.344 3.663 -0.825 1.00 0.00 C ATOM 795 O TYR A 63 129.431 3.406 -0.311 1.00 0.00 O ATOM 796 CB TYR A 63 127.825 2.320 -2.844 1.00 0.00 C ATOM 797 CG TYR A 63 128.451 0.969 -3.105 1.00 0.00 C ATOM 798 CD1 TYR A 63 129.698 0.644 -2.583 1.00 0.00 C ATOM 799 CD2 TYR A 63 127.794 0.017 -3.872 1.00 0.00 C ATOM 800 CE1 TYR A 63 130.271 -0.591 -2.822 1.00 0.00 C ATOM 801 CE2 TYR A 63 128.359 -1.220 -4.113 1.00 0.00 C ATOM 802 CZ TYR A 63 129.597 -1.520 -3.587 1.00 0.00 C ATOM 803 OH TYR A 63 130.163 -2.750 -3.827 1.00 0.00 O ATOM 0 H TYR A 63 125.619 3.115 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 63 127.632 1.652 -0.813 1.00 0.00 H new ATOM 0 HB2 TYR A 63 126.925 2.416 -3.451 1.00 0.00 H new ATOM 0 HB3 TYR A 63 128.514 3.098 -3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 63 130.227 1.368 -1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 63 126.824 0.247 -4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 63 131.242 -0.827 -2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 63 127.833 -1.949 -4.711 1.00 0.00 H new ATOM 0 HH TYR A 63 129.558 -3.286 -4.381 1.00 0.00 H new ATOM 813 N THR A 64 127.854 4.894 -0.916 1.00 0.00 N ATOM 814 CA THR A 64 128.583 6.046 -0.401 1.00 0.00 C ATOM 815 C THR A 64 128.953 5.818 1.056 1.00 0.00 C ATOM 816 O THR A 64 129.912 6.395 1.568 1.00 0.00 O ATOM 817 CB THR A 64 127.743 7.314 -0.542 1.00 0.00 C ATOM 818 OG1 THR A 64 126.996 7.292 -1.745 1.00 0.00 O ATOM 819 CG2 THR A 64 128.571 8.580 -0.538 1.00 0.00 C ATOM 0 H THR A 64 126.955 5.120 -1.342 1.00 0.00 H new ATOM 0 HA THR A 64 129.497 6.171 -0.982 1.00 0.00 H new ATOM 0 HB THR A 64 127.086 7.324 0.328 1.00 0.00 H new ATOM 0 HG1 THR A 64 126.108 6.915 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 64 127.915 9.444 -0.641 1.00 0.00 H new ATOM 0 HG22 THR A 64 129.121 8.652 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 64 129.275 8.557 -1.370 1.00 0.00 H new ATOM 827 N GLY A 65 128.188 4.953 1.707 1.00 0.00 N ATOM 828 CA GLY A 65 128.443 4.625 3.093 1.00 0.00 C ATOM 829 C GLY A 65 129.510 3.557 3.230 1.00 0.00 C ATOM 830 O GLY A 65 130.152 3.441 4.274 1.00 0.00 O ATOM 0 H GLY A 65 127.390 4.470 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 65 128.755 5.522 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 65 127.521 4.280 3.561 1.00 0.00 H new ATOM 834 N ILE A 66 129.705 2.782 2.163 1.00 0.00 N ATOM 835 CA ILE A 66 130.710 1.725 2.158 1.00 0.00 C ATOM 836 C ILE A 66 131.976 2.192 1.451 1.00 0.00 C ATOM 837 O ILE A 66 133.065 1.664 1.678 1.00 0.00 O ATOM 838 CB ILE A 66 130.181 0.447 1.473 1.00 0.00 C ATOM 839 CG1 ILE A 66 128.931 -0.063 2.189 1.00 0.00 C ATOM 840 CG2 ILE A 66 131.254 -0.632 1.444 1.00 0.00 C ATOM 841 CD1 ILE A 66 127.652 0.581 1.704 1.00 0.00 C ATOM 0 H ILE A 66 129.180 2.868 1.293 1.00 0.00 H new ATOM 0 HA ILE A 66 130.941 1.491 3.197 1.00 0.00 H new ATOM 0 HB ILE A 66 129.917 0.694 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 66 128.859 -1.142 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 66 129.036 0.117 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 66 130.860 -1.524 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 66 132.120 -0.269 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 66 131.551 -0.877 2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 66 126.806 0.171 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 66 127.703 1.658 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 66 127.523 0.379 0.641 1.00 0.00 H new ATOM 853 N PHE A 67 131.820 3.194 0.596 1.00 0.00 N ATOM 854 CA PHE A 67 132.928 3.755 -0.157 1.00 0.00 C ATOM 855 C PHE A 67 133.961 4.381 0.771 1.00 0.00 C ATOM 856 O PHE A 67 135.160 4.132 0.647 1.00 0.00 O ATOM 857 CB PHE A 67 132.386 4.800 -1.124 1.00 0.00 C ATOM 858 CG PHE A 67 132.961 4.697 -2.507 1.00 0.00 C ATOM 859 CD1 PHE A 67 132.710 3.584 -3.292 1.00 0.00 C ATOM 860 CD2 PHE A 67 133.755 5.710 -3.022 1.00 0.00 C ATOM 861 CE1 PHE A 67 133.241 3.480 -4.564 1.00 0.00 C ATOM 862 CE2 PHE A 67 134.289 5.613 -4.293 1.00 0.00 C ATOM 863 CZ PHE A 67 134.031 4.496 -5.065 1.00 0.00 C ATOM 0 H PHE A 67 130.922 3.639 0.407 1.00 0.00 H new ATOM 0 HA PHE A 67 133.423 2.957 -0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 67 131.302 4.701 -1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 67 132.594 5.793 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 67 132.092 2.787 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 67 133.959 6.585 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 67 133.038 2.606 -5.165 1.00 0.00 H new ATOM 0 HE2 PHE A 67 134.907 6.409 -4.682 1.00 0.00 H new ATOM 0 HZ PHE A 67 134.447 4.418 -6.059 1.00 0.00 H new ATOM 873 N THR A 68 133.481 5.193 1.700 1.00 0.00 N ATOM 874 CA THR A 68 134.350 5.867 2.658 1.00 0.00 C ATOM 875 C THR A 68 134.696 4.952 3.828 1.00 0.00 C ATOM 876 O THR A 68 135.743 5.104 4.460 1.00 0.00 O ATOM 877 CB THR A 68 133.682 7.142 3.176 1.00 0.00 C ATOM 878 OG1 THR A 68 132.509 7.435 2.434 1.00 0.00 O ATOM 879 CG2 THR A 68 134.582 8.355 3.107 1.00 0.00 C ATOM 0 H THR A 68 132.489 5.403 1.813 1.00 0.00 H new ATOM 0 HA THR A 68 135.274 6.129 2.143 1.00 0.00 H new ATOM 0 HB THR A 68 133.446 6.940 4.221 1.00 0.00 H new ATOM 0 HG1 THR A 68 132.097 8.253 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 68 134.049 9.226 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 68 135.473 8.182 3.710 1.00 0.00 H new ATOM 0 HG23 THR A 68 134.874 8.533 2.072 1.00 0.00 H new ATOM 887 N ASP A 69 133.811 4.003 4.119 1.00 0.00 N ATOM 888 CA ASP A 69 134.027 3.069 5.219 1.00 0.00 C ATOM 889 C ASP A 69 135.357 2.340 5.066 1.00 0.00 C ATOM 890 O ASP A 69 135.963 1.920 6.052 1.00 0.00 O ATOM 891 CB ASP A 69 132.882 2.056 5.291 1.00 0.00 C ATOM 892 CG ASP A 69 131.842 2.434 6.327 1.00 0.00 C ATOM 893 OD1 ASP A 69 131.483 3.628 6.399 1.00 0.00 O ATOM 894 OD2 ASP A 69 131.386 1.535 7.065 1.00 0.00 O ATOM 0 H ASP A 69 132.939 3.861 3.609 1.00 0.00 H new ATOM 0 HA ASP A 69 134.054 3.643 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 69 132.406 1.979 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 69 133.286 1.071 5.527 1.00 0.00 H new ATOM 899 N GLN A 70 135.809 2.202 3.827 1.00 0.00 N ATOM 900 CA GLN A 70 137.069 1.530 3.548 1.00 0.00 C ATOM 901 C GLN A 70 138.206 2.539 3.414 1.00 0.00 C ATOM 902 O GLN A 70 139.284 2.211 2.920 1.00 0.00 O ATOM 903 CB GLN A 70 136.957 0.688 2.277 1.00 0.00 C ATOM 904 CG GLN A 70 137.740 -0.615 2.341 1.00 0.00 C ATOM 905 CD GLN A 70 137.130 -1.614 3.303 1.00 0.00 C ATOM 906 OE1 GLN A 70 135.942 -1.927 3.220 1.00 0.00 O ATOM 907 NE2 GLN A 70 137.941 -2.120 4.225 1.00 0.00 N ATOM 0 H GLN A 70 135.322 2.547 3.000 1.00 0.00 H new ATOM 0 HA GLN A 70 137.293 0.870 4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 70 135.907 0.463 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 70 137.312 1.275 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 70 137.786 -1.056 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 70 138.766 -0.404 2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 70 138.919 -1.832 4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 70 137.586 -2.796 4.901 1.00 0.00 H new ATOM 916 N VAL A 71 137.960 3.766 3.860 1.00 0.00 N ATOM 917 CA VAL A 71 138.961 4.824 3.801 1.00 0.00 C ATOM 918 C VAL A 71 139.446 5.166 5.197 1.00 0.00 C ATOM 919 O VAL A 71 140.639 5.105 5.486 1.00 0.00 O ATOM 920 CB VAL A 71 138.388 6.091 3.151 1.00 0.00 C ATOM 921 CG1 VAL A 71 139.430 7.203 3.118 1.00 0.00 C ATOM 922 CG2 VAL A 71 137.869 5.790 1.754 1.00 0.00 C ATOM 0 H VAL A 71 137.071 4.053 4.269 1.00 0.00 H new ATOM 0 HA VAL A 71 139.792 4.459 3.198 1.00 0.00 H new ATOM 0 HB VAL A 71 137.550 6.435 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 71 139.001 8.090 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 71 139.741 7.441 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 71 140.295 6.874 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 71 137.467 6.701 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 71 138.685 5.415 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 71 137.083 5.038 1.812 1.00 0.00 H new ATOM 932 N LEU A 72 138.508 5.520 6.062 1.00 0.00 N ATOM 933 CA LEU A 72 138.840 5.864 7.436 1.00 0.00 C ATOM 934 C LEU A 72 139.336 4.628 8.166 1.00 0.00 C ATOM 935 O LEU A 72 140.269 4.695 8.964 1.00 0.00 O ATOM 936 CB LEU A 72 137.631 6.463 8.177 1.00 0.00 C ATOM 937 CG LEU A 72 136.405 6.780 7.316 1.00 0.00 C ATOM 938 CD1 LEU A 72 135.240 7.221 8.189 1.00 0.00 C ATOM 939 CD2 LEU A 72 136.740 7.848 6.283 1.00 0.00 C ATOM 0 H LEU A 72 137.514 5.577 5.838 1.00 0.00 H new ATOM 0 HA LEU A 72 139.625 6.620 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 72 137.330 5.768 8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 137.951 7.381 8.670 1.00 0.00 H new ATOM 0 HG LEU A 72 136.111 5.874 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 72 134.378 7.442 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 72 134.986 6.423 8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 72 135.521 8.114 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 72 135.857 8.061 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 72 137.060 8.758 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 72 137.543 7.491 5.638 1.00 0.00 H new ATOM 951 N SER A 73 138.702 3.494 7.880 1.00 0.00 N ATOM 952 CA SER A 73 139.068 2.225 8.502 1.00 0.00 C ATOM 953 C SER A 73 140.398 1.723 7.967 1.00 0.00 C ATOM 954 O SER A 73 141.048 0.871 8.573 1.00 0.00 O ATOM 955 CB SER A 73 137.985 1.177 8.250 1.00 0.00 C ATOM 956 OG SER A 73 138.268 0.410 7.089 1.00 0.00 O ATOM 0 H SER A 73 137.929 3.428 7.218 1.00 0.00 H new ATOM 0 HA SER A 73 139.163 2.392 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 73 137.907 0.517 9.114 1.00 0.00 H new ATOM 0 HB3 SER A 73 137.019 1.669 8.136 1.00 0.00 H new ATOM 0 HG SER A 73 137.548 0.529 6.435 1.00 0.00 H new ATOM 962 N VAL A 74 140.795 2.255 6.825 1.00 0.00 N ATOM 963 CA VAL A 74 142.043 1.863 6.199 1.00 0.00 C ATOM 964 C VAL A 74 143.098 2.943 6.367 1.00 0.00 C ATOM 965 O VAL A 74 144.291 2.677 6.227 1.00 0.00 O ATOM 966 CB VAL A 74 141.852 1.579 4.701 1.00 0.00 C ATOM 967 CG1 VAL A 74 143.143 1.066 4.079 1.00 0.00 C ATOM 968 CG2 VAL A 74 140.721 0.584 4.492 1.00 0.00 C ATOM 0 H VAL A 74 140.269 2.962 6.311 1.00 0.00 H new ATOM 0 HA VAL A 74 142.376 0.951 6.694 1.00 0.00 H new ATOM 0 HB VAL A 74 141.587 2.513 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 74 142.984 0.872 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 74 143.926 1.815 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 74 143.445 0.144 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 74 140.597 0.392 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 74 140.958 -0.349 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 74 139.796 0.994 4.897 1.00 0.00 H new ATOM 978 N LEU A 75 142.662 4.165 6.665 1.00 0.00 N ATOM 979 CA LEU A 75 143.605 5.263 6.844 1.00 0.00 C ATOM 980 C LEU A 75 143.848 5.534 8.325 1.00 0.00 C ATOM 981 O LEU A 75 144.981 5.769 8.746 1.00 0.00 O ATOM 982 CB LEU A 75 143.104 6.527 6.134 1.00 0.00 C ATOM 983 CG LEU A 75 142.077 7.352 6.908 1.00 0.00 C ATOM 984 CD1 LEU A 75 142.777 8.351 7.819 1.00 0.00 C ATOM 985 CD2 LEU A 75 141.137 8.071 5.950 1.00 0.00 C ATOM 0 H LEU A 75 141.681 4.416 6.785 1.00 0.00 H new ATOM 0 HA LEU A 75 144.555 4.973 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 75 143.962 7.162 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 75 142.666 6.237 5.179 1.00 0.00 H new ATOM 0 HG LEU A 75 141.486 6.676 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 75 142.032 8.931 8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 75 143.409 7.816 8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 75 143.392 9.022 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 75 140.413 8.653 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 75 141.712 8.737 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 75 140.612 7.338 5.337 1.00 0.00 H new ATOM 997 N LYS A 76 142.778 5.506 9.112 1.00 0.00 N ATOM 998 CA LYS A 76 142.872 5.753 10.541 1.00 0.00 C ATOM 999 C LYS A 76 142.290 4.592 11.341 1.00 0.00 C ATOM 1000 O LYS A 76 142.305 4.607 12.572 1.00 0.00 O ATOM 1001 CB LYS A 76 142.112 7.027 10.865 1.00 0.00 C ATOM 1002 CG LYS A 76 143.014 8.218 11.149 1.00 0.00 C ATOM 1003 CD LYS A 76 142.924 8.661 12.602 1.00 0.00 C ATOM 1004 CE LYS A 76 142.690 10.158 12.713 1.00 0.00 C ATOM 1005 NZ LYS A 76 143.208 10.708 13.996 1.00 0.00 N ATOM 0 H LYS A 76 141.833 5.314 8.780 1.00 0.00 H new ATOM 0 HA LYS A 76 143.922 5.855 10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 76 141.455 7.270 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 76 141.475 6.850 11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 76 144.045 7.958 10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 76 142.737 9.047 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 76 142.113 8.127 13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 76 143.844 8.396 13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 76 143.176 10.664 11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 76 141.623 10.365 12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 143.029 11.732 14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 142.726 10.244 14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 144.231 10.533 14.061 1.00 0.00 H new ATOM 1019 N GLY A 77 141.750 3.605 10.638 1.00 0.00 N ATOM 1020 CA GLY A 77 141.144 2.477 11.309 1.00 0.00 C ATOM 1021 C GLY A 77 139.929 2.911 12.093 1.00 0.00 C ATOM 1022 O GLY A 77 139.713 2.472 13.221 1.00 0.00 O ATOM 0 H GLY A 77 141.722 3.567 9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 77 140.859 1.722 10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 77 141.869 2.014 11.979 1.00 0.00 H new ATOM 1026 N GLU A 78 139.143 3.797 11.490 1.00 0.00 N ATOM 1027 CA GLU A 78 137.946 4.319 12.139 1.00 0.00 C ATOM 1028 C GLU A 78 136.691 3.894 11.388 1.00 0.00 C ATOM 1029 O GLU A 78 135.639 3.682 11.992 1.00 0.00 O ATOM 1030 CB GLU A 78 138.016 5.844 12.232 1.00 0.00 C ATOM 1031 CG GLU A 78 137.064 6.435 13.259 1.00 0.00 C ATOM 1032 CD GLU A 78 136.993 7.948 13.189 1.00 0.00 C ATOM 1033 OE1 GLU A 78 138.029 8.601 13.434 1.00 0.00 O ATOM 1034 OE2 GLU A 78 135.902 8.479 12.891 1.00 0.00 O ATOM 0 H GLU A 78 139.313 4.168 10.555 1.00 0.00 H new ATOM 0 HA GLU A 78 137.897 3.906 13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 78 139.035 6.138 12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 78 137.792 6.270 11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 78 136.067 6.021 13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 78 137.382 6.136 14.258 1.00 0.00 H new ATOM 1041 N GLU A 79 136.809 3.767 10.071 1.00 0.00 N ATOM 1042 CA GLU A 79 135.682 3.359 9.238 1.00 0.00 C ATOM 1043 C GLU A 79 134.567 4.398 9.270 1.00 0.00 C ATOM 1044 O GLU A 79 133.932 4.614 8.216 1.00 0.00 O ATOM 1045 CB GLU A 79 135.148 2.005 9.705 1.00 0.00 C ATOM 1046 CG GLU A 79 134.073 1.428 8.801 1.00 0.00 C ATOM 1047 CD GLU A 79 133.658 0.028 9.211 1.00 0.00 C ATOM 1048 OE1 GLU A 79 133.898 -0.343 10.379 1.00 0.00 O ATOM 1049 OE2 GLU A 79 133.095 -0.697 8.365 1.00 0.00 O ATOM 0 H GLU A 79 137.673 3.940 9.557 1.00 0.00 H new ATOM 0 HA GLU A 79 136.035 3.273 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 79 135.976 1.299 9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 79 134.745 2.111 10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 79 133.201 2.081 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 79 134.438 1.409 7.774 1.00 0.00 H new TER 1056 GLU A 79