USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot -26:sc= -0.552 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.32 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.01) 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 -38:sc= 0.0179 USER MOD Single : A 24 SER OG : rot -72:sc= 1.18 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 72:sc= 0.984 USER MOD Single : A 34 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.016) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00572) USER MOD Single : A 40 THR OG1 : rot -101:sc= 1.16 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00291 USER MOD Single : A 54 SER OG : rot 180:sc= -0.056 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -46:sc= 0.252 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 18:sc= 1.22 USER MOD Single : A 62 THR OG1 : rot -65:sc= 1.04 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 91:sc= 0.218 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.047) USER MOD Single : A 73 SER OG : rot 90:sc= 0.0098 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 84.563 -0.131 16.301 1.00 0.00 N ATOM 2 CA THR A 13 85.775 0.705 16.506 1.00 0.00 C ATOM 3 C THR A 13 85.564 2.123 15.989 1.00 0.00 C ATOM 4 O THR A 13 84.969 2.330 14.932 1.00 0.00 O ATOM 5 CB THR A 13 86.948 0.052 15.777 1.00 0.00 C ATOM 6 OG1 THR A 13 86.661 -0.103 14.398 1.00 0.00 O ATOM 7 CG2 THR A 13 87.311 -1.310 16.327 1.00 0.00 C ATOM 0 HA THR A 13 85.983 0.771 17.574 1.00 0.00 H new ATOM 0 HB THR A 13 87.792 0.725 15.930 1.00 0.00 H new ATOM 0 HG1 THR A 13 85.691 -0.161 14.270 1.00 0.00 H new ATOM 0 HG21 THR A 13 88.151 -1.717 15.765 1.00 0.00 H new ATOM 0 HG22 THR A 13 87.589 -1.216 17.377 1.00 0.00 H new ATOM 0 HG23 THR A 13 86.455 -1.979 16.236 1.00 0.00 H new ATOM 15 N PHE A 14 86.064 3.096 16.741 1.00 0.00 N ATOM 16 CA PHE A 14 85.941 4.497 16.362 1.00 0.00 C ATOM 17 C PHE A 14 87.292 5.044 15.916 1.00 0.00 C ATOM 18 O PHE A 14 87.376 5.833 14.975 1.00 0.00 O ATOM 19 CB PHE A 14 85.397 5.322 17.530 1.00 0.00 C ATOM 20 CG PHE A 14 84.287 6.256 17.141 1.00 0.00 C ATOM 21 CD1 PHE A 14 84.535 7.344 16.319 1.00 0.00 C ATOM 22 CD2 PHE A 14 82.996 6.046 17.597 1.00 0.00 C ATOM 23 CE1 PHE A 14 83.515 8.205 15.959 1.00 0.00 C ATOM 24 CE2 PHE A 14 81.972 6.904 17.241 1.00 0.00 C ATOM 25 CZ PHE A 14 82.232 7.984 16.421 1.00 0.00 C ATOM 0 H PHE A 14 86.559 2.939 17.619 1.00 0.00 H new ATOM 0 HA PHE A 14 85.241 4.570 15.530 1.00 0.00 H new ATOM 0 HB2 PHE A 14 85.037 4.646 18.305 1.00 0.00 H new ATOM 0 HB3 PHE A 14 86.212 5.901 17.966 1.00 0.00 H new ATOM 0 HD1 PHE A 14 85.536 7.521 15.956 1.00 0.00 H new ATOM 0 HD2 PHE A 14 82.787 5.202 18.238 1.00 0.00 H new ATOM 0 HE1 PHE A 14 83.721 9.049 15.318 1.00 0.00 H new ATOM 0 HE2 PHE A 14 80.970 6.730 17.604 1.00 0.00 H new ATOM 0 HZ PHE A 14 81.433 8.655 16.141 1.00 0.00 H new ATOM 35 N LEU A 15 88.347 4.606 16.594 1.00 0.00 N ATOM 36 CA LEU A 15 89.698 5.036 16.267 1.00 0.00 C ATOM 37 C LEU A 15 90.266 4.189 15.134 1.00 0.00 C ATOM 38 O LEU A 15 91.112 4.648 14.366 1.00 0.00 O ATOM 39 CB LEU A 15 90.603 4.940 17.497 1.00 0.00 C ATOM 40 CG LEU A 15 90.588 3.584 18.208 1.00 0.00 C ATOM 41 CD1 LEU A 15 91.984 3.215 18.683 1.00 0.00 C ATOM 42 CD2 LEU A 15 89.612 3.605 19.376 1.00 0.00 C ATOM 0 H LEU A 15 88.291 3.952 17.375 1.00 0.00 H new ATOM 0 HA LEU A 15 89.658 6.076 15.942 1.00 0.00 H new ATOM 0 HB2 LEU A 15 91.626 5.163 17.195 1.00 0.00 H new ATOM 0 HB3 LEU A 15 90.306 5.710 18.209 1.00 0.00 H new ATOM 0 HG LEU A 15 90.257 2.826 17.498 1.00 0.00 H new ATOM 0 HD11 LEU A 15 91.954 2.248 19.186 1.00 0.00 H new ATOM 0 HD12 LEU A 15 92.656 3.158 17.827 1.00 0.00 H new ATOM 0 HD13 LEU A 15 92.345 3.974 19.377 1.00 0.00 H new ATOM 0 HD21 LEU A 15 89.614 2.633 19.870 1.00 0.00 H new ATOM 0 HD22 LEU A 15 89.912 4.374 20.087 1.00 0.00 H new ATOM 0 HD23 LEU A 15 88.609 3.823 19.008 1.00 0.00 H new ATOM 54 N THR A 16 89.789 2.950 15.032 1.00 0.00 N ATOM 55 CA THR A 16 90.246 2.042 13.988 1.00 0.00 C ATOM 56 C THR A 16 89.651 2.427 12.640 1.00 0.00 C ATOM 57 O THR A 16 90.251 2.178 11.594 1.00 0.00 O ATOM 58 CB THR A 16 89.871 0.600 14.334 1.00 0.00 C ATOM 59 OG1 THR A 16 90.103 0.338 15.707 1.00 0.00 O ATOM 60 CG2 THR A 16 90.641 -0.428 13.534 1.00 0.00 C ATOM 0 H THR A 16 89.088 2.555 15.659 1.00 0.00 H new ATOM 0 HA THR A 16 91.331 2.118 13.922 1.00 0.00 H new ATOM 0 HB THR A 16 88.813 0.510 14.087 1.00 0.00 H new ATOM 0 HG1 THR A 16 90.010 -0.623 15.877 1.00 0.00 H new ATOM 0 HG21 THR A 16 90.326 -1.429 13.829 1.00 0.00 H new ATOM 0 HG22 THR A 16 90.444 -0.284 12.472 1.00 0.00 H new ATOM 0 HG23 THR A 16 91.708 -0.312 13.724 1.00 0.00 H new ATOM 68 N GLN A 17 88.473 3.043 12.667 1.00 0.00 N ATOM 69 CA GLN A 17 87.816 3.464 11.440 1.00 0.00 C ATOM 70 C GLN A 17 88.667 4.505 10.719 1.00 0.00 C ATOM 71 O GLN A 17 88.961 4.367 9.532 1.00 0.00 O ATOM 72 CB GLN A 17 86.411 4.012 11.741 1.00 0.00 C ATOM 73 CG GLN A 17 86.303 5.531 11.690 1.00 0.00 C ATOM 74 CD GLN A 17 84.870 6.011 11.582 1.00 0.00 C ATOM 75 OE1 GLN A 17 83.988 5.534 12.295 1.00 0.00 O ATOM 76 NE2 GLN A 17 84.629 6.961 10.686 1.00 0.00 N ATOM 0 H GLN A 17 87.959 3.259 13.521 1.00 0.00 H new ATOM 0 HA GLN A 17 87.705 2.599 10.786 1.00 0.00 H new ATOM 0 HB2 GLN A 17 85.707 3.586 11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 17 86.106 3.671 12.730 1.00 0.00 H new ATOM 0 HG2 GLN A 17 86.757 5.954 12.586 1.00 0.00 H new ATOM 0 HG3 GLN A 17 86.872 5.903 10.838 1.00 0.00 H new ATOM 0 HE21 GLN A 17 85.390 7.329 10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 17 83.683 7.323 10.569 1.00 0.00 H new ATOM 85 N VAL A 18 89.068 5.546 11.448 1.00 0.00 N ATOM 86 CA VAL A 18 89.894 6.597 10.868 1.00 0.00 C ATOM 87 C VAL A 18 91.223 6.016 10.429 1.00 0.00 C ATOM 88 O VAL A 18 91.786 6.420 9.415 1.00 0.00 O ATOM 89 CB VAL A 18 90.160 7.756 11.848 1.00 0.00 C ATOM 90 CG1 VAL A 18 90.442 9.041 11.085 1.00 0.00 C ATOM 91 CG2 VAL A 18 88.994 7.948 12.808 1.00 0.00 C ATOM 0 H VAL A 18 88.836 5.681 12.432 1.00 0.00 H new ATOM 0 HA VAL A 18 89.343 6.999 10.018 1.00 0.00 H new ATOM 0 HB VAL A 18 91.039 7.501 12.440 1.00 0.00 H new ATOM 0 HG11 VAL A 18 90.628 9.850 11.791 1.00 0.00 H new ATOM 0 HG12 VAL A 18 91.319 8.903 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.582 9.292 10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 18 89.213 8.773 13.486 1.00 0.00 H new ATOM 0 HG22 VAL A 18 88.090 8.174 12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 18 88.843 7.035 13.384 1.00 0.00 H new ATOM 101 N LYS A 19 91.713 5.046 11.196 1.00 0.00 N ATOM 102 CA LYS A 19 92.970 4.390 10.874 1.00 0.00 C ATOM 103 C LYS A 19 92.915 3.823 9.463 1.00 0.00 C ATOM 104 O LYS A 19 93.942 3.668 8.803 1.00 0.00 O ATOM 105 CB LYS A 19 93.270 3.280 11.884 1.00 0.00 C ATOM 106 CG LYS A 19 94.702 3.290 12.393 1.00 0.00 C ATOM 107 CD LYS A 19 94.810 3.990 13.739 1.00 0.00 C ATOM 108 CE LYS A 19 96.213 4.521 13.979 1.00 0.00 C ATOM 109 NZ LYS A 19 96.206 5.754 14.813 1.00 0.00 N ATOM 0 H LYS A 19 91.258 4.700 12.041 1.00 0.00 H new ATOM 0 HA LYS A 19 93.772 5.126 10.926 1.00 0.00 H new ATOM 0 HB2 LYS A 19 92.592 3.378 12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 19 93.064 2.315 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 19 95.064 2.266 12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 19 95.343 3.792 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 19 94.096 4.813 13.781 1.00 0.00 H new ATOM 0 HD3 LYS A 19 94.542 3.295 14.535 1.00 0.00 H new ATOM 0 HE2 LYS A 19 96.812 3.754 14.470 1.00 0.00 H new ATOM 0 HE3 LYS A 19 96.689 4.733 13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 97.182 6.084 14.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 95.656 6.495 14.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 95.775 5.546 15.736 1.00 0.00 H new ATOM 123 N GLU A 20 91.702 3.534 8.995 1.00 0.00 N ATOM 124 CA GLU A 20 91.519 3.008 7.649 1.00 0.00 C ATOM 125 C GLU A 20 91.567 4.145 6.633 1.00 0.00 C ATOM 126 O GLU A 20 91.854 3.929 5.455 1.00 0.00 O ATOM 127 CB GLU A 20 90.188 2.261 7.539 1.00 0.00 C ATOM 128 CG GLU A 20 90.319 0.758 7.718 1.00 0.00 C ATOM 129 CD GLU A 20 90.872 0.378 9.077 1.00 0.00 C ATOM 130 OE1 GLU A 20 92.081 0.595 9.307 1.00 0.00 O ATOM 131 OE2 GLU A 20 90.098 -0.137 9.910 1.00 0.00 O ATOM 0 H GLU A 20 90.839 3.655 9.525 1.00 0.00 H new ATOM 0 HA GLU A 20 92.327 2.307 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 20 89.500 2.649 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 20 89.745 2.465 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 20 89.342 0.294 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 20 90.970 0.359 6.940 1.00 0.00 H new ATOM 138 N SER A 21 91.288 5.359 7.104 1.00 0.00 N ATOM 139 CA SER A 21 91.299 6.539 6.254 1.00 0.00 C ATOM 140 C SER A 21 92.647 7.246 6.327 1.00 0.00 C ATOM 141 O SER A 21 93.278 7.499 5.301 1.00 0.00 O ATOM 142 CB SER A 21 90.196 7.496 6.683 1.00 0.00 C ATOM 143 OG SER A 21 89.227 7.656 5.660 1.00 0.00 O ATOM 0 H SER A 21 91.050 5.548 8.078 1.00 0.00 H new ATOM 0 HA SER A 21 91.128 6.222 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 21 89.716 7.120 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 21 90.629 8.465 6.932 1.00 0.00 H new ATOM 0 HG SER A 21 88.530 8.274 5.964 1.00 0.00 H new ATOM 149 N LEU A 22 93.094 7.556 7.546 1.00 0.00 N ATOM 150 CA LEU A 22 94.376 8.224 7.727 1.00 0.00 C ATOM 151 C LEU A 22 95.499 7.380 7.134 1.00 0.00 C ATOM 152 O LEU A 22 96.581 7.883 6.835 1.00 0.00 O ATOM 153 CB LEU A 22 94.642 8.492 9.209 1.00 0.00 C ATOM 154 CG LEU A 22 94.901 7.248 10.058 1.00 0.00 C ATOM 155 CD1 LEU A 22 96.384 6.909 10.073 1.00 0.00 C ATOM 156 CD2 LEU A 22 94.385 7.454 11.475 1.00 0.00 C ATOM 0 H LEU A 22 92.591 7.356 8.411 1.00 0.00 H new ATOM 0 HA LEU A 22 94.341 9.181 7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 22 95.503 9.156 9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 22 93.787 9.025 9.625 1.00 0.00 H new ATOM 0 HG LEU A 22 94.363 6.410 9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 96.548 6.020 10.683 1.00 0.00 H new ATOM 0 HD12 LEU A 22 96.724 6.718 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 22 96.944 7.745 10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 22 94.577 6.559 12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 22 94.895 8.304 11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 22 93.313 7.647 11.447 1.00 0.00 H new ATOM 168 N SER A 23 95.220 6.092 6.954 1.00 0.00 N ATOM 169 CA SER A 23 96.190 5.168 6.384 1.00 0.00 C ATOM 170 C SER A 23 95.917 4.947 4.898 1.00 0.00 C ATOM 171 O SER A 23 96.784 4.471 4.166 1.00 0.00 O ATOM 172 CB SER A 23 96.153 3.832 7.128 1.00 0.00 C ATOM 173 OG SER A 23 97.223 2.995 6.728 1.00 0.00 O ATOM 0 H SER A 23 94.326 5.665 7.196 1.00 0.00 H new ATOM 0 HA SER A 23 97.182 5.606 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 23 96.208 4.009 8.202 1.00 0.00 H new ATOM 0 HB3 SER A 23 95.204 3.331 6.935 1.00 0.00 H new ATOM 0 HG SER A 23 97.372 3.092 5.764 1.00 0.00 H new ATOM 179 N SER A 24 94.709 5.295 4.454 1.00 0.00 N ATOM 180 CA SER A 24 94.339 5.127 3.052 1.00 0.00 C ATOM 181 C SER A 24 95.236 5.961 2.143 1.00 0.00 C ATOM 182 O SER A 24 95.334 5.698 0.944 1.00 0.00 O ATOM 183 CB SER A 24 92.874 5.508 2.835 1.00 0.00 C ATOM 184 OG SER A 24 92.727 6.910 2.690 1.00 0.00 O ATOM 0 H SER A 24 93.976 5.692 5.042 1.00 0.00 H new ATOM 0 HA SER A 24 94.473 4.076 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 24 92.492 5.005 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 24 92.276 5.162 3.678 1.00 0.00 H new ATOM 0 HG SER A 24 92.872 7.345 3.556 1.00 0.00 H new ATOM 190 N TYR A 25 95.900 6.953 2.720 1.00 0.00 N ATOM 191 CA TYR A 25 96.803 7.810 1.964 1.00 0.00 C ATOM 192 C TYR A 25 98.239 7.336 2.135 1.00 0.00 C ATOM 193 O TYR A 25 99.126 7.713 1.371 1.00 0.00 O ATOM 194 CB TYR A 25 96.668 9.266 2.414 1.00 0.00 C ATOM 195 CG TYR A 25 95.346 9.896 2.039 1.00 0.00 C ATOM 196 CD1 TYR A 25 95.052 10.205 0.716 1.00 0.00 C ATOM 197 CD2 TYR A 25 94.391 10.182 3.007 1.00 0.00 C ATOM 198 CE1 TYR A 25 93.844 10.781 0.370 1.00 0.00 C ATOM 199 CE2 TYR A 25 93.182 10.759 2.668 1.00 0.00 C ATOM 200 CZ TYR A 25 92.913 11.056 1.349 1.00 0.00 C ATOM 201 OH TYR A 25 91.710 11.629 1.008 1.00 0.00 O ATOM 0 H TYR A 25 95.830 7.185 3.711 1.00 0.00 H new ATOM 0 HA TYR A 25 96.535 7.751 0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 25 96.791 9.316 3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 25 97.477 9.850 1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 25 95.779 9.992 -0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 25 94.597 9.949 4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 25 93.630 11.015 -0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 25 92.451 10.976 3.433 1.00 0.00 H new ATOM 0 HH TYR A 25 91.168 11.756 1.814 1.00 0.00 H new ATOM 211 N TRP A 26 98.451 6.484 3.132 1.00 0.00 N ATOM 212 CA TRP A 26 99.770 5.928 3.392 1.00 0.00 C ATOM 213 C TRP A 26 99.928 4.626 2.623 1.00 0.00 C ATOM 214 O TRP A 26 101.039 4.222 2.276 1.00 0.00 O ATOM 215 CB TRP A 26 99.969 5.688 4.889 1.00 0.00 C ATOM 216 CG TRP A 26 101.332 5.172 5.233 1.00 0.00 C ATOM 217 CD1 TRP A 26 101.761 3.878 5.161 1.00 0.00 C ATOM 218 CD2 TRP A 26 102.445 5.938 5.706 1.00 0.00 C ATOM 219 NE1 TRP A 26 103.072 3.793 5.559 1.00 0.00 N ATOM 220 CE2 TRP A 26 103.516 5.044 5.898 1.00 0.00 C ATOM 221 CE3 TRP A 26 102.642 7.293 5.985 1.00 0.00 C ATOM 222 CZ2 TRP A 26 104.762 5.461 6.356 1.00 0.00 C ATOM 223 CZ3 TRP A 26 103.881 7.707 6.440 1.00 0.00 C ATOM 224 CH2 TRP A 26 104.927 6.795 6.620 1.00 0.00 C ATOM 0 H TRP A 26 97.725 6.164 3.773 1.00 0.00 H new ATOM 0 HA TRP A 26 100.527 6.639 3.060 1.00 0.00 H new ATOM 0 HB2 TRP A 26 99.796 6.621 5.425 1.00 0.00 H new ATOM 0 HB3 TRP A 26 99.221 4.976 5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 26 101.157 3.043 4.838 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.626 2.937 5.596 1.00 0.00 H new ATOM 0 HE3 TRP A 26 101.841 8.004 5.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 105.570 4.758 6.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 104.044 8.752 6.660 1.00 0.00 H new ATOM 0 HH2 TRP A 26 105.884 7.150 6.974 1.00 0.00 H new ATOM 235 N GLU A 27 98.798 3.983 2.342 1.00 0.00 N ATOM 236 CA GLU A 27 98.795 2.735 1.594 1.00 0.00 C ATOM 237 C GLU A 27 98.795 3.012 0.096 1.00 0.00 C ATOM 238 O GLU A 27 99.171 2.156 -0.705 1.00 0.00 O ATOM 239 CB GLU A 27 97.581 1.885 1.973 1.00 0.00 C ATOM 240 CG GLU A 27 97.854 0.390 1.954 1.00 0.00 C ATOM 241 CD GLU A 27 96.739 -0.414 2.594 1.00 0.00 C ATOM 242 OE1 GLU A 27 95.570 0.017 2.507 1.00 0.00 O ATOM 243 OE2 GLU A 27 97.035 -1.476 3.181 1.00 0.00 O ATOM 0 H GLU A 27 97.873 4.308 2.623 1.00 0.00 H new ATOM 0 HA GLU A 27 99.700 2.182 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.244 2.172 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.765 2.105 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 27 97.988 0.062 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 27 98.789 0.188 2.477 1.00 0.00 H new ATOM 250 N SER A 28 98.380 4.220 -0.276 1.00 0.00 N ATOM 251 CA SER A 28 98.342 4.617 -1.674 1.00 0.00 C ATOM 252 C SER A 28 99.727 5.023 -2.144 1.00 0.00 C ATOM 253 O SER A 28 100.180 4.614 -3.213 1.00 0.00 O ATOM 254 CB SER A 28 97.365 5.774 -1.865 1.00 0.00 C ATOM 255 OG SER A 28 96.876 5.820 -3.194 1.00 0.00 O ATOM 0 H SER A 28 98.066 4.940 0.375 1.00 0.00 H new ATOM 0 HA SER A 28 98.005 3.768 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 28 96.531 5.667 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 28 97.860 6.715 -1.625 1.00 0.00 H new ATOM 0 HG SER A 28 96.251 6.569 -3.287 1.00 0.00 H new ATOM 261 N ALA A 29 100.401 5.821 -1.328 1.00 0.00 N ATOM 262 CA ALA A 29 101.748 6.273 -1.648 1.00 0.00 C ATOM 263 C ALA A 29 102.632 5.085 -2.007 1.00 0.00 C ATOM 264 O ALA A 29 103.561 5.204 -2.807 1.00 0.00 O ATOM 265 CB ALA A 29 102.341 7.049 -0.482 1.00 0.00 C ATOM 0 H ALA A 29 100.038 6.169 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 29 101.696 6.939 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.348 7.379 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.718 7.917 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 29 102.383 6.407 0.398 1.00 0.00 H new ATOM 271 N LYS A 30 102.320 3.934 -1.419 1.00 0.00 N ATOM 272 CA LYS A 30 103.066 2.713 -1.684 1.00 0.00 C ATOM 273 C LYS A 30 102.484 1.991 -2.893 1.00 0.00 C ATOM 274 O LYS A 30 103.193 1.281 -3.605 1.00 0.00 O ATOM 275 CB LYS A 30 103.037 1.795 -0.460 1.00 0.00 C ATOM 276 CG LYS A 30 103.892 2.291 0.694 1.00 0.00 C ATOM 277 CD LYS A 30 105.337 2.500 0.268 1.00 0.00 C ATOM 278 CE LYS A 30 106.247 2.710 1.467 1.00 0.00 C ATOM 279 NZ LYS A 30 107.319 3.703 1.183 1.00 0.00 N ATOM 0 H LYS A 30 101.554 3.824 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 30 104.101 2.979 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 30 102.007 1.691 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 30 103.378 0.802 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 30 103.484 3.228 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 30 103.853 1.572 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 30 105.678 1.636 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 30 105.401 3.364 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 30 105.655 3.048 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 30 106.699 1.759 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 107.918 3.818 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 107.900 3.369 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 106.889 4.617 0.937 1.00 0.00 H new ATOM 293 N THR A 31 101.185 2.182 -3.125 1.00 0.00 N ATOM 294 CA THR A 31 100.512 1.554 -4.254 1.00 0.00 C ATOM 295 C THR A 31 100.985 2.163 -5.571 1.00 0.00 C ATOM 296 O THR A 31 101.008 1.490 -6.602 1.00 0.00 O ATOM 297 CB THR A 31 98.996 1.710 -4.121 1.00 0.00 C ATOM 298 OG1 THR A 31 98.540 1.155 -2.900 1.00 0.00 O ATOM 299 CG2 THR A 31 98.225 1.044 -5.242 1.00 0.00 C ATOM 0 H THR A 31 100.582 2.766 -2.545 1.00 0.00 H new ATOM 0 HA THR A 31 100.761 0.493 -4.253 1.00 0.00 H new ATOM 0 HB THR A 31 98.812 2.784 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 31 98.824 1.725 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 31 97.156 1.192 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 31 98.518 1.483 -6.196 1.00 0.00 H new ATOM 0 HG23 THR A 31 98.445 -0.023 -5.251 1.00 0.00 H new ATOM 307 N ALA A 32 101.364 3.437 -5.529 1.00 0.00 N ATOM 308 CA ALA A 32 101.837 4.129 -6.722 1.00 0.00 C ATOM 309 C ALA A 32 103.362 4.122 -6.807 1.00 0.00 C ATOM 310 O ALA A 32 103.944 4.760 -7.683 1.00 0.00 O ATOM 311 CB ALA A 32 101.312 5.557 -6.747 1.00 0.00 C ATOM 0 H ALA A 32 101.353 4.009 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 32 101.454 3.594 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 32 101.673 6.062 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.222 5.544 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 32 101.664 6.090 -5.864 1.00 0.00 H new ATOM 317 N ALA A 33 104.003 3.390 -5.901 1.00 0.00 N ATOM 318 CA ALA A 33 105.457 3.297 -5.889 1.00 0.00 C ATOM 319 C ALA A 33 105.918 2.072 -6.665 1.00 0.00 C ATOM 320 O ALA A 33 106.760 2.170 -7.557 1.00 0.00 O ATOM 321 CB ALA A 33 105.974 3.250 -4.459 1.00 0.00 C ATOM 0 H ALA A 33 103.539 2.854 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 33 105.865 4.184 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 33 107.062 3.181 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 33 105.672 4.156 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 33 105.559 2.380 -3.950 1.00 0.00 H new ATOM 327 N GLN A 34 105.351 0.919 -6.327 1.00 0.00 N ATOM 328 CA GLN A 34 105.697 -0.325 -7.002 1.00 0.00 C ATOM 329 C GLN A 34 105.371 -0.241 -8.490 1.00 0.00 C ATOM 330 O GLN A 34 105.908 -0.999 -9.298 1.00 0.00 O ATOM 331 CB GLN A 34 104.955 -1.502 -6.365 1.00 0.00 C ATOM 332 CG GLN A 34 105.841 -2.706 -6.092 1.00 0.00 C ATOM 333 CD GLN A 34 106.614 -2.578 -4.794 1.00 0.00 C ATOM 334 OE1 GLN A 34 107.839 -2.693 -4.773 1.00 0.00 O ATOM 335 NE2 GLN A 34 105.899 -2.339 -3.700 1.00 0.00 N ATOM 0 H GLN A 34 104.651 0.821 -5.591 1.00 0.00 H new ATOM 0 HA GLN A 34 106.770 -0.485 -6.892 1.00 0.00 H new ATOM 0 HB2 GLN A 34 104.506 -1.173 -5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 34 104.139 -1.804 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 34 105.226 -3.605 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 34 106.542 -2.831 -6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 34 104.885 -2.251 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 34 106.364 -2.244 -2.797 1.00 0.00 H new ATOM 344 N ASN A 35 104.490 0.690 -8.847 1.00 0.00 N ATOM 345 CA ASN A 35 104.095 0.879 -10.236 1.00 0.00 C ATOM 346 C ASN A 35 105.198 1.580 -11.018 1.00 0.00 C ATOM 347 O ASN A 35 105.750 1.027 -11.969 1.00 0.00 O ATOM 348 CB ASN A 35 102.811 1.701 -10.305 1.00 0.00 C ATOM 349 CG ASN A 35 101.986 1.388 -11.538 1.00 0.00 C ATOM 350 OD1 ASN A 35 101.469 0.282 -11.689 1.00 0.00 O ATOM 351 ND2 ASN A 35 101.858 2.365 -12.428 1.00 0.00 N ATOM 0 H ASN A 35 104.036 1.325 -8.191 1.00 0.00 H new ATOM 0 HA ASN A 35 103.921 -0.101 -10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 35 102.213 1.510 -9.414 1.00 0.00 H new ATOM 0 HB3 ASN A 35 103.062 2.762 -10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 35 101.314 2.213 -13.277 1.00 0.00 H new ATOM 0 HD22 ASN A 35 102.304 3.267 -12.262 1.00 0.00 H new ATOM 358 N LEU A 36 105.512 2.804 -10.608 1.00 0.00 N ATOM 359 CA LEU A 36 106.550 3.587 -11.269 1.00 0.00 C ATOM 360 C LEU A 36 107.903 2.891 -11.175 1.00 0.00 C ATOM 361 O LEU A 36 108.678 2.892 -12.131 1.00 0.00 O ATOM 362 CB LEU A 36 106.636 4.986 -10.653 1.00 0.00 C ATOM 363 CG LEU A 36 107.030 5.022 -9.175 1.00 0.00 C ATOM 364 CD1 LEU A 36 108.528 5.245 -9.028 1.00 0.00 C ATOM 365 CD2 LEU A 36 106.254 6.107 -8.443 1.00 0.00 C ATOM 0 H LEU A 36 105.063 3.275 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 36 106.284 3.678 -12.322 1.00 0.00 H new ATOM 0 HB2 LEU A 36 107.359 5.572 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 36 105.669 5.476 -10.767 1.00 0.00 H new ATOM 0 HG LEU A 36 106.780 4.060 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 36 108.790 5.268 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 36 109.066 4.434 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 36 108.802 6.193 -9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 36 106.547 6.118 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 36 106.473 7.076 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 36 105.186 5.905 -8.520 1.00 0.00 H new ATOM 377 N TYR A 37 108.182 2.293 -10.021 1.00 0.00 N ATOM 378 CA TYR A 37 109.444 1.590 -9.814 1.00 0.00 C ATOM 379 C TYR A 37 109.503 0.304 -10.636 1.00 0.00 C ATOM 380 O TYR A 37 110.561 -0.308 -10.771 1.00 0.00 O ATOM 381 CB TYR A 37 109.641 1.270 -8.331 1.00 0.00 C ATOM 382 CG TYR A 37 110.351 2.362 -7.563 1.00 0.00 C ATOM 383 CD1 TYR A 37 109.637 3.388 -6.954 1.00 0.00 C ATOM 384 CD2 TYR A 37 111.736 2.368 -7.446 1.00 0.00 C ATOM 385 CE1 TYR A 37 110.283 4.387 -6.252 1.00 0.00 C ATOM 386 CE2 TYR A 37 112.388 3.365 -6.745 1.00 0.00 C ATOM 387 CZ TYR A 37 111.658 4.371 -6.150 1.00 0.00 C ATOM 388 OH TYR A 37 112.305 5.364 -5.451 1.00 0.00 O ATOM 0 H TYR A 37 107.554 2.281 -9.217 1.00 0.00 H new ATOM 0 HA TYR A 37 110.248 2.246 -10.148 1.00 0.00 H new ATOM 0 HB2 TYR A 37 108.668 1.091 -7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 37 110.210 0.345 -8.240 1.00 0.00 H new ATOM 0 HD1 TYR A 37 108.560 3.404 -7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 37 112.312 1.581 -7.910 1.00 0.00 H new ATOM 0 HE1 TYR A 37 109.714 5.177 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 37 113.465 3.356 -6.664 1.00 0.00 H new ATOM 0 HH TYR A 37 113.272 5.204 -5.475 1.00 0.00 H new ATOM 398 N GLU A 38 108.361 -0.099 -11.186 1.00 0.00 N ATOM 399 CA GLU A 38 108.289 -1.309 -11.995 1.00 0.00 C ATOM 400 C GLU A 38 108.691 -1.019 -13.438 1.00 0.00 C ATOM 401 O GLU A 38 109.190 -1.897 -14.142 1.00 0.00 O ATOM 402 CB GLU A 38 106.876 -1.895 -11.951 1.00 0.00 C ATOM 403 CG GLU A 38 106.751 -3.111 -11.047 1.00 0.00 C ATOM 404 CD GLU A 38 105.309 -3.483 -10.765 1.00 0.00 C ATOM 405 OE1 GLU A 38 104.505 -3.510 -11.721 1.00 0.00 O ATOM 406 OE2 GLU A 38 104.983 -3.746 -9.589 1.00 0.00 O ATOM 0 H GLU A 38 107.474 0.395 -11.086 1.00 0.00 H new ATOM 0 HA GLU A 38 108.987 -2.037 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 38 106.183 -1.126 -11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.574 -2.171 -12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.256 -3.958 -11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 107.262 -2.913 -10.105 1.00 0.00 H new ATOM 413 N LYS A 39 108.473 0.219 -13.872 1.00 0.00 N ATOM 414 CA LYS A 39 108.815 0.621 -15.231 1.00 0.00 C ATOM 415 C LYS A 39 110.053 1.515 -15.240 1.00 0.00 C ATOM 416 O LYS A 39 110.239 2.322 -16.150 1.00 0.00 O ATOM 417 CB LYS A 39 107.640 1.353 -15.881 1.00 0.00 C ATOM 418 CG LYS A 39 107.277 2.657 -15.190 1.00 0.00 C ATOM 419 CD LYS A 39 106.724 3.674 -16.175 1.00 0.00 C ATOM 420 CE LYS A 39 107.833 4.316 -16.995 1.00 0.00 C ATOM 421 NZ LYS A 39 108.319 5.580 -16.376 1.00 0.00 N ATOM 0 H LYS A 39 108.062 0.959 -13.303 1.00 0.00 H new ATOM 0 HA LYS A 39 109.035 -0.280 -15.804 1.00 0.00 H new ATOM 0 HB2 LYS A 39 107.883 1.560 -16.923 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.769 0.697 -15.881 1.00 0.00 H new ATOM 0 HG2 LYS A 39 106.539 2.464 -14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 108.159 3.067 -14.698 1.00 0.00 H new ATOM 0 HD2 LYS A 39 106.013 3.187 -16.842 1.00 0.00 H new ATOM 0 HD3 LYS A 39 106.177 4.446 -15.634 1.00 0.00 H new ATOM 0 HE2 LYS A 39 108.663 3.617 -17.093 1.00 0.00 H new ATOM 0 HE3 LYS A 39 107.468 4.521 -18.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 109.097 5.969 -16.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 107.541 6.269 -16.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 108.659 5.386 -15.413 1.00 0.00 H new ATOM 435 N THR A 40 110.897 1.365 -14.222 1.00 0.00 N ATOM 436 CA THR A 40 112.115 2.162 -14.120 1.00 0.00 C ATOM 437 C THR A 40 113.186 1.433 -13.315 1.00 0.00 C ATOM 438 O THR A 40 114.360 1.430 -13.684 1.00 0.00 O ATOM 439 CB THR A 40 111.812 3.515 -13.477 1.00 0.00 C ATOM 440 OG1 THR A 40 111.125 3.345 -12.250 1.00 0.00 O ATOM 441 CG2 THR A 40 110.970 4.419 -14.352 1.00 0.00 C ATOM 0 H THR A 40 110.760 0.702 -13.459 1.00 0.00 H new ATOM 0 HA THR A 40 112.495 2.322 -15.129 1.00 0.00 H new ATOM 0 HB THR A 40 112.783 3.985 -13.324 1.00 0.00 H new ATOM 0 HG1 THR A 40 110.169 3.512 -12.385 1.00 0.00 H new ATOM 0 HG21 THR A 40 110.792 5.362 -13.836 1.00 0.00 H new ATOM 0 HG22 THR A 40 111.495 4.611 -15.288 1.00 0.00 H new ATOM 0 HG23 THR A 40 110.016 3.935 -14.563 1.00 0.00 H new ATOM 449 N TYR A 41 112.773 0.822 -12.213 1.00 0.00 N ATOM 450 CA TYR A 41 113.695 0.093 -11.349 1.00 0.00 C ATOM 451 C TYR A 41 113.661 -1.402 -11.645 1.00 0.00 C ATOM 452 O TYR A 41 113.856 -2.225 -10.750 1.00 0.00 O ATOM 453 CB TYR A 41 113.349 0.339 -9.882 1.00 0.00 C ATOM 454 CG TYR A 41 114.473 0.000 -8.928 1.00 0.00 C ATOM 455 CD1 TYR A 41 115.523 0.885 -8.721 1.00 0.00 C ATOM 456 CD2 TYR A 41 114.483 -1.204 -8.237 1.00 0.00 C ATOM 457 CE1 TYR A 41 116.553 0.580 -7.850 1.00 0.00 C ATOM 458 CE2 TYR A 41 115.508 -1.517 -7.363 1.00 0.00 C ATOM 459 CZ TYR A 41 116.539 -0.622 -7.174 1.00 0.00 C ATOM 460 OH TYR A 41 117.562 -0.930 -6.306 1.00 0.00 O ATOM 0 H TYR A 41 111.804 0.816 -11.895 1.00 0.00 H new ATOM 0 HA TYR A 41 114.702 0.459 -11.548 1.00 0.00 H new ATOM 0 HB2 TYR A 41 113.078 1.387 -9.752 1.00 0.00 H new ATOM 0 HB3 TYR A 41 112.471 -0.252 -9.621 1.00 0.00 H new ATOM 0 HD1 TYR A 41 115.535 1.827 -9.249 1.00 0.00 H new ATOM 0 HD2 TYR A 41 113.677 -1.908 -8.384 1.00 0.00 H new ATOM 0 HE1 TYR A 41 117.363 1.278 -7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 41 115.501 -2.457 -6.832 1.00 0.00 H new ATOM 0 HH TYR A 41 117.401 -1.812 -5.910 1.00 0.00 H new ATOM 470 N LEU A 42 113.416 -1.744 -12.901 1.00 0.00 N ATOM 471 CA LEU A 42 113.359 -3.143 -13.313 1.00 0.00 C ATOM 472 C LEU A 42 114.754 -3.668 -13.653 1.00 0.00 C ATOM 473 O LEU A 42 115.216 -4.644 -13.063 1.00 0.00 O ATOM 474 CB LEU A 42 112.422 -3.308 -14.515 1.00 0.00 C ATOM 475 CG LEU A 42 111.281 -4.307 -14.315 1.00 0.00 C ATOM 476 CD1 LEU A 42 111.816 -5.731 -14.297 1.00 0.00 C ATOM 477 CD2 LEU A 42 110.520 -4.004 -13.033 1.00 0.00 C ATOM 0 H LEU A 42 113.253 -1.075 -13.653 1.00 0.00 H new ATOM 0 HA LEU A 42 112.968 -3.727 -12.480 1.00 0.00 H new ATOM 0 HB2 LEU A 42 111.994 -2.336 -14.759 1.00 0.00 H new ATOM 0 HB3 LEU A 42 113.012 -3.622 -15.376 1.00 0.00 H new ATOM 0 HG LEU A 42 110.590 -4.210 -15.152 1.00 0.00 H new ATOM 0 HD11 LEU A 42 110.990 -6.428 -14.154 1.00 0.00 H new ATOM 0 HD12 LEU A 42 112.312 -5.945 -15.244 1.00 0.00 H new ATOM 0 HD13 LEU A 42 112.530 -5.841 -13.481 1.00 0.00 H new ATOM 0 HD21 LEU A 42 109.713 -4.726 -12.910 1.00 0.00 H new ATOM 0 HD22 LEU A 42 111.199 -4.070 -12.183 1.00 0.00 H new ATOM 0 HD23 LEU A 42 110.102 -2.999 -13.087 1.00 0.00 H new ATOM 489 N PRO A 43 115.445 -3.026 -14.613 1.00 0.00 N ATOM 490 CA PRO A 43 116.786 -3.433 -15.025 1.00 0.00 C ATOM 491 C PRO A 43 117.876 -2.826 -14.145 1.00 0.00 C ATOM 492 O PRO A 43 118.780 -2.152 -14.637 1.00 0.00 O ATOM 493 CB PRO A 43 116.874 -2.878 -16.442 1.00 0.00 C ATOM 494 CG PRO A 43 116.064 -1.626 -16.399 1.00 0.00 C ATOM 495 CD PRO A 43 114.977 -1.850 -15.375 1.00 0.00 C ATOM 0 HA PRO A 43 116.938 -4.510 -14.951 1.00 0.00 H new ATOM 0 HB2 PRO A 43 117.906 -2.674 -16.726 1.00 0.00 H new ATOM 0 HB3 PRO A 43 116.476 -3.584 -17.171 1.00 0.00 H new ATOM 0 HG2 PRO A 43 116.684 -0.773 -16.125 1.00 0.00 H new ATOM 0 HG3 PRO A 43 115.636 -1.408 -17.377 1.00 0.00 H new ATOM 0 HD2 PRO A 43 114.850 -0.980 -14.730 1.00 0.00 H new ATOM 0 HD3 PRO A 43 114.014 -2.038 -15.849 1.00 0.00 H new ATOM 503 N ALA A 44 117.784 -3.069 -12.839 1.00 0.00 N ATOM 504 CA ALA A 44 118.754 -2.550 -11.888 1.00 0.00 C ATOM 505 C ALA A 44 118.262 -2.766 -10.469 1.00 0.00 C ATOM 506 O ALA A 44 118.417 -1.901 -9.606 1.00 0.00 O ATOM 507 CB ALA A 44 119.029 -1.073 -12.141 1.00 0.00 C ATOM 0 H ALA A 44 117.041 -3.626 -12.417 1.00 0.00 H new ATOM 0 HA ALA A 44 119.690 -3.093 -12.021 1.00 0.00 H new ATOM 0 HB1 ALA A 44 119.758 -0.709 -11.416 1.00 0.00 H new ATOM 0 HB2 ALA A 44 119.424 -0.944 -13.149 1.00 0.00 H new ATOM 0 HB3 ALA A 44 118.103 -0.508 -12.039 1.00 0.00 H new ATOM 513 N VAL A 45 117.694 -3.940 -10.226 1.00 0.00 N ATOM 514 CA VAL A 45 117.209 -4.291 -8.905 1.00 0.00 C ATOM 515 C VAL A 45 118.344 -4.892 -8.110 1.00 0.00 C ATOM 516 O VAL A 45 118.170 -5.856 -7.367 1.00 0.00 O ATOM 517 CB VAL A 45 116.032 -5.283 -8.962 1.00 0.00 C ATOM 518 CG1 VAL A 45 115.105 -5.071 -7.776 1.00 0.00 C ATOM 519 CG2 VAL A 45 115.267 -5.149 -10.272 1.00 0.00 C ATOM 0 H VAL A 45 117.559 -4.665 -10.931 1.00 0.00 H new ATOM 0 HA VAL A 45 116.844 -3.382 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 45 116.436 -6.294 -8.912 1.00 0.00 H new ATOM 0 HG11 VAL A 45 114.278 -5.779 -7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 45 115.658 -5.228 -6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 45 114.714 -4.054 -7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 45 114.442 -5.861 -10.286 1.00 0.00 H new ATOM 0 HG22 VAL A 45 114.874 -4.136 -10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 45 115.937 -5.354 -11.107 1.00 0.00 H new ATOM 529 N ASP A 46 119.528 -4.336 -8.324 1.00 0.00 N ATOM 530 CA ASP A 46 120.730 -4.839 -7.685 1.00 0.00 C ATOM 531 C ASP A 46 121.049 -6.173 -8.327 1.00 0.00 C ATOM 532 O ASP A 46 121.557 -7.092 -7.684 1.00 0.00 O ATOM 533 CB ASP A 46 120.530 -5.000 -6.174 1.00 0.00 C ATOM 534 CG ASP A 46 121.749 -4.569 -5.381 1.00 0.00 C ATOM 535 OD1 ASP A 46 122.786 -5.258 -5.465 1.00 0.00 O ATOM 536 OD2 ASP A 46 121.665 -3.540 -4.676 1.00 0.00 O ATOM 0 H ASP A 46 119.679 -3.535 -8.937 1.00 0.00 H new ATOM 0 HA ASP A 46 121.552 -4.136 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 46 119.668 -4.411 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.303 -6.042 -5.949 1.00 0.00 H new ATOM 541 N GLU A 47 120.695 -6.262 -9.615 1.00 0.00 N ATOM 542 CA GLU A 47 120.874 -7.467 -10.410 1.00 0.00 C ATOM 543 C GLU A 47 119.606 -8.313 -10.354 1.00 0.00 C ATOM 544 O GLU A 47 119.665 -9.532 -10.509 1.00 0.00 O ATOM 545 CB GLU A 47 122.079 -8.285 -9.933 1.00 0.00 C ATOM 546 CG GLU A 47 122.651 -9.206 -10.999 1.00 0.00 C ATOM 547 CD GLU A 47 123.251 -10.470 -10.416 1.00 0.00 C ATOM 548 OE1 GLU A 47 122.700 -10.985 -9.421 1.00 0.00 O ATOM 549 OE2 GLU A 47 124.272 -10.946 -10.956 1.00 0.00 O ATOM 0 H GLU A 47 120.274 -5.490 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 47 121.068 -7.168 -11.440 1.00 0.00 H new ATOM 0 HB2 GLU A 47 122.860 -7.603 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 47 121.784 -8.882 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 47 121.863 -9.473 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 47 123.416 -8.672 -11.563 1.00 0.00 H new ATOM 556 N LYS A 48 118.453 -7.661 -10.119 1.00 0.00 N ATOM 557 CA LYS A 48 117.179 -8.378 -10.037 1.00 0.00 C ATOM 558 C LYS A 48 117.019 -9.014 -8.664 1.00 0.00 C ATOM 559 O LYS A 48 116.561 -10.150 -8.540 1.00 0.00 O ATOM 560 CB LYS A 48 117.084 -9.447 -11.131 1.00 0.00 C ATOM 561 CG LYS A 48 115.711 -9.542 -11.776 1.00 0.00 C ATOM 562 CD LYS A 48 115.784 -10.199 -13.146 1.00 0.00 C ATOM 563 CE LYS A 48 114.843 -9.530 -14.135 1.00 0.00 C ATOM 564 NZ LYS A 48 115.332 -9.653 -15.536 1.00 0.00 N ATOM 0 H LYS A 48 118.382 -6.652 -9.985 1.00 0.00 H new ATOM 0 HA LYS A 48 116.373 -7.660 -10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 48 117.824 -9.232 -11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 48 117.342 -10.416 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 48 115.044 -10.115 -11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 48 115.283 -8.544 -11.872 1.00 0.00 H new ATOM 0 HD2 LYS A 48 116.806 -10.147 -13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 48 115.530 -11.255 -13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 48 113.853 -9.979 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 48 114.736 -8.476 -13.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 114.663 -9.184 -16.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 116.266 -9.202 -15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 115.410 -10.659 -15.790 1.00 0.00 H new ATOM 578 N LEU A 49 117.405 -8.270 -7.633 1.00 0.00 N ATOM 579 CA LEU A 49 117.310 -8.755 -6.261 1.00 0.00 C ATOM 580 C LEU A 49 115.855 -8.977 -5.864 1.00 0.00 C ATOM 581 O LEU A 49 115.505 -10.015 -5.301 1.00 0.00 O ATOM 582 CB LEU A 49 117.969 -7.764 -5.300 1.00 0.00 C ATOM 583 CG LEU A 49 118.452 -8.365 -3.979 1.00 0.00 C ATOM 584 CD1 LEU A 49 119.833 -8.980 -4.147 1.00 0.00 C ATOM 585 CD2 LEU A 49 118.467 -7.307 -2.887 1.00 0.00 C ATOM 0 H LEU A 49 117.787 -7.328 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 49 117.834 -9.709 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 49 118.819 -7.303 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 49 117.258 -6.967 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 49 117.759 -9.153 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 49 120.161 -9.403 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 49 119.792 -9.767 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 49 120.537 -8.211 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 49 118.813 -7.752 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.138 -6.497 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 49 117.460 -6.912 -2.749 1.00 0.00 H new ATOM 597 N ARG A 50 115.013 -7.996 -6.161 1.00 0.00 N ATOM 598 CA ARG A 50 113.593 -8.078 -5.838 1.00 0.00 C ATOM 599 C ARG A 50 112.796 -8.607 -7.025 1.00 0.00 C ATOM 600 O ARG A 50 111.822 -9.341 -6.852 1.00 0.00 O ATOM 601 CB ARG A 50 113.063 -6.704 -5.424 1.00 0.00 C ATOM 602 CG ARG A 50 113.213 -6.415 -3.940 1.00 0.00 C ATOM 603 CD ARG A 50 114.518 -5.693 -3.642 1.00 0.00 C ATOM 604 NE ARG A 50 114.406 -4.252 -3.853 1.00 0.00 N ATOM 605 CZ ARG A 50 115.257 -3.361 -3.348 1.00 0.00 C ATOM 606 NH1 ARG A 50 116.284 -3.759 -2.607 1.00 0.00 N ATOM 607 NH2 ARG A 50 115.081 -2.069 -3.586 1.00 0.00 N ATOM 0 H ARG A 50 115.289 -7.131 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 50 113.474 -8.771 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 50 113.589 -5.935 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 50 112.009 -6.634 -5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 50 112.374 -5.808 -3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 50 113.177 -7.350 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 50 114.812 -5.887 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 50 115.307 -6.093 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 50 113.631 -3.908 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 50 116.425 -4.752 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 50 116.932 -3.072 -2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 50 114.294 -1.758 -4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 50 115.732 -1.386 -3.200 1.00 0.00 H new ATOM 621 N ASP A 51 113.216 -8.235 -8.230 1.00 0.00 N ATOM 622 CA ASP A 51 112.540 -8.677 -9.444 1.00 0.00 C ATOM 623 C ASP A 51 112.652 -10.188 -9.597 1.00 0.00 C ATOM 624 O ASP A 51 111.693 -10.856 -9.986 1.00 0.00 O ATOM 625 CB ASP A 51 113.127 -7.976 -10.670 1.00 0.00 C ATOM 626 CG ASP A 51 112.158 -6.985 -11.287 1.00 0.00 C ATOM 627 OD1 ASP A 51 111.371 -7.394 -12.166 1.00 0.00 O ATOM 628 OD2 ASP A 51 112.185 -5.803 -10.888 1.00 0.00 O ATOM 0 H ASP A 51 114.021 -7.629 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 51 111.486 -8.413 -9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 51 114.042 -7.457 -10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 51 113.403 -8.722 -11.415 1.00 0.00 H new ATOM 633 N LEU A 52 113.826 -10.724 -9.279 1.00 0.00 N ATOM 634 CA LEU A 52 114.055 -12.163 -9.374 1.00 0.00 C ATOM 635 C LEU A 52 113.565 -12.885 -8.118 1.00 0.00 C ATOM 636 O LEU A 52 113.850 -14.065 -7.919 1.00 0.00 O ATOM 637 CB LEU A 52 115.540 -12.455 -9.599 1.00 0.00 C ATOM 638 CG LEU A 52 115.845 -13.822 -10.216 1.00 0.00 C ATOM 639 CD1 LEU A 52 116.977 -13.712 -11.225 1.00 0.00 C ATOM 640 CD2 LEU A 52 116.191 -14.831 -9.131 1.00 0.00 C ATOM 0 H LEU A 52 114.631 -10.187 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 52 113.486 -12.535 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 52 115.953 -11.681 -10.246 1.00 0.00 H new ATOM 0 HB3 LEU A 52 116.058 -12.381 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 52 114.954 -14.171 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 52 117.180 -14.694 -11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 52 116.691 -13.022 -12.019 1.00 0.00 H new ATOM 0 HD13 LEU A 52 117.873 -13.341 -10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 52 116.405 -15.797 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 52 117.067 -14.488 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 52 115.349 -14.932 -8.446 1.00 0.00 H new ATOM 652 N TYR A 53 112.822 -12.169 -7.278 1.00 0.00 N ATOM 653 CA TYR A 53 112.286 -12.735 -6.050 1.00 0.00 C ATOM 654 C TYR A 53 110.805 -13.051 -6.216 1.00 0.00 C ATOM 655 O TYR A 53 110.300 -14.024 -5.658 1.00 0.00 O ATOM 656 CB TYR A 53 112.487 -11.750 -4.896 1.00 0.00 C ATOM 657 CG TYR A 53 113.362 -12.277 -3.775 1.00 0.00 C ATOM 658 CD1 TYR A 53 113.392 -13.631 -3.459 1.00 0.00 C ATOM 659 CD2 TYR A 53 114.159 -11.414 -3.033 1.00 0.00 C ATOM 660 CE1 TYR A 53 114.191 -14.108 -2.436 1.00 0.00 C ATOM 661 CE2 TYR A 53 114.961 -11.884 -2.009 1.00 0.00 C ATOM 662 CZ TYR A 53 114.972 -13.230 -1.716 1.00 0.00 C ATOM 663 OH TYR A 53 115.769 -13.702 -0.697 1.00 0.00 O ATOM 0 H TYR A 53 112.578 -11.190 -7.430 1.00 0.00 H new ATOM 0 HA TYR A 53 112.816 -13.661 -5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 53 112.930 -10.834 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 53 111.513 -11.483 -4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 53 112.781 -14.321 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 53 114.152 -10.358 -3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 53 114.203 -15.162 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 53 115.575 -11.200 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 53 116.257 -12.955 -0.291 1.00 0.00 H new ATOM 673 N SER A 54 110.117 -12.218 -6.989 1.00 0.00 N ATOM 674 CA SER A 54 108.692 -12.402 -7.234 1.00 0.00 C ATOM 675 C SER A 54 107.914 -12.378 -5.927 1.00 0.00 C ATOM 676 O SER A 54 107.081 -13.247 -5.669 1.00 0.00 O ATOM 677 CB SER A 54 108.444 -13.720 -7.971 1.00 0.00 C ATOM 678 OG SER A 54 109.570 -14.090 -8.749 1.00 0.00 O ATOM 0 H SER A 54 110.524 -11.408 -7.457 1.00 0.00 H new ATOM 0 HA SER A 54 108.344 -11.579 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 54 108.222 -14.507 -7.250 1.00 0.00 H new ATOM 0 HB3 SER A 54 107.570 -13.621 -8.615 1.00 0.00 H new ATOM 0 HG SER A 54 109.387 -14.936 -9.208 1.00 0.00 H new ATOM 684 N LYS A 55 108.196 -11.377 -5.102 1.00 0.00 N ATOM 685 CA LYS A 55 107.527 -11.237 -3.817 1.00 0.00 C ATOM 686 C LYS A 55 107.717 -12.489 -2.968 1.00 0.00 C ATOM 687 O LYS A 55 106.954 -12.735 -2.034 1.00 0.00 O ATOM 688 CB LYS A 55 106.035 -10.965 -4.021 1.00 0.00 C ATOM 689 CG LYS A 55 105.691 -9.487 -4.087 1.00 0.00 C ATOM 690 CD LYS A 55 106.037 -8.893 -5.443 1.00 0.00 C ATOM 691 CE LYS A 55 104.810 -8.780 -6.332 1.00 0.00 C ATOM 692 NZ LYS A 55 104.723 -9.906 -7.303 1.00 0.00 N ATOM 0 H LYS A 55 108.884 -10.651 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 55 107.973 -10.392 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 55 105.709 -11.447 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 55 105.476 -11.424 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 55 104.628 -9.351 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 55 106.231 -8.952 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 55 106.481 -7.907 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 55 106.786 -9.515 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 55 103.913 -8.764 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 55 104.840 -7.835 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 103.873 -9.792 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 105.567 -9.906 -7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 104.669 -10.807 -6.786 1.00 0.00 H new ATOM 706 N SER A 56 108.743 -13.280 -3.288 1.00 0.00 N ATOM 707 CA SER A 56 109.018 -14.497 -2.533 1.00 0.00 C ATOM 708 C SER A 56 109.211 -14.160 -1.062 1.00 0.00 C ATOM 709 O SER A 56 108.506 -14.675 -0.193 1.00 0.00 O ATOM 710 CB SER A 56 110.262 -15.198 -3.079 1.00 0.00 C ATOM 711 OG SER A 56 110.642 -16.283 -2.249 1.00 0.00 O ATOM 0 H SER A 56 109.389 -13.100 -4.057 1.00 0.00 H new ATOM 0 HA SER A 56 108.168 -15.172 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 56 110.066 -15.560 -4.088 1.00 0.00 H new ATOM 0 HB3 SER A 56 111.083 -14.485 -3.150 1.00 0.00 H new ATOM 0 HG SER A 56 111.439 -16.716 -2.621 1.00 0.00 H new ATOM 717 N THR A 57 110.165 -13.279 -0.797 1.00 0.00 N ATOM 718 CA THR A 57 110.454 -12.848 0.562 1.00 0.00 C ATOM 719 C THR A 57 110.662 -11.340 0.626 1.00 0.00 C ATOM 720 O THR A 57 111.205 -10.818 1.599 1.00 0.00 O ATOM 721 CB THR A 57 111.681 -13.579 1.096 1.00 0.00 C ATOM 722 OG1 THR A 57 111.758 -13.473 2.506 1.00 0.00 O ATOM 723 CG2 THR A 57 112.989 -13.075 0.522 1.00 0.00 C ATOM 0 H THR A 57 110.754 -12.847 -1.509 1.00 0.00 H new ATOM 0 HA THR A 57 109.597 -13.095 1.188 1.00 0.00 H new ATOM 0 HB THR A 57 111.549 -14.615 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 57 111.590 -12.545 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 57 113.816 -13.642 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 57 112.983 -13.200 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 57 113.110 -12.019 0.765 1.00 0.00 H new ATOM 731 N ALA A 58 110.212 -10.644 -0.410 1.00 0.00 N ATOM 732 CA ALA A 58 110.333 -9.197 -0.460 1.00 0.00 C ATOM 733 C ALA A 58 109.373 -8.570 0.536 1.00 0.00 C ATOM 734 O ALA A 58 109.732 -7.654 1.273 1.00 0.00 O ATOM 735 CB ALA A 58 110.062 -8.684 -1.866 1.00 0.00 C ATOM 0 H ALA A 58 109.761 -11.060 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 58 111.352 -8.917 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 58 110.158 -7.598 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 58 110.781 -9.122 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 58 109.052 -8.964 -2.167 1.00 0.00 H new ATOM 741 N ALA A 59 108.154 -9.092 0.562 1.00 0.00 N ATOM 742 CA ALA A 59 107.138 -8.608 1.482 1.00 0.00 C ATOM 743 C ALA A 59 107.450 -9.058 2.906 1.00 0.00 C ATOM 744 O ALA A 59 106.989 -8.450 3.873 1.00 0.00 O ATOM 745 CB ALA A 59 105.761 -9.098 1.058 1.00 0.00 C ATOM 0 H ALA A 59 107.846 -9.852 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 59 107.140 -7.518 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 59 105.012 -8.727 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 59 105.537 -8.731 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 59 105.747 -10.188 1.056 1.00 0.00 H new ATOM 751 N MET A 60 108.238 -10.126 3.031 1.00 0.00 N ATOM 752 CA MET A 60 108.610 -10.650 4.340 1.00 0.00 C ATOM 753 C MET A 60 109.771 -9.859 4.938 1.00 0.00 C ATOM 754 O MET A 60 110.029 -9.935 6.140 1.00 0.00 O ATOM 755 CB MET A 60 108.988 -12.128 4.231 1.00 0.00 C ATOM 756 CG MET A 60 107.801 -13.069 4.351 1.00 0.00 C ATOM 757 SD MET A 60 106.984 -13.360 2.770 1.00 0.00 S ATOM 758 CE MET A 60 105.269 -13.427 3.283 1.00 0.00 C ATOM 0 H MET A 60 108.629 -10.642 2.243 1.00 0.00 H new ATOM 0 HA MET A 60 107.749 -10.548 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 60 109.481 -12.299 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 60 109.712 -12.368 5.010 1.00 0.00 H new ATOM 0 HG2 MET A 60 108.137 -14.021 4.763 1.00 0.00 H new ATOM 0 HG3 MET A 60 107.082 -12.653 5.056 1.00 0.00 H new ATOM 0 HE1 MET A 60 104.636 -13.602 2.413 1.00 0.00 H new ATOM 0 HE2 MET A 60 105.135 -14.238 3.999 1.00 0.00 H new ATOM 0 HE3 MET A 60 104.992 -12.482 3.749 1.00 0.00 H new ATOM 768 N SER A 61 110.472 -9.099 4.099 1.00 0.00 N ATOM 769 CA SER A 61 111.603 -8.301 4.559 1.00 0.00 C ATOM 770 C SER A 61 111.963 -7.230 3.534 1.00 0.00 C ATOM 771 O SER A 61 113.049 -7.252 2.951 1.00 0.00 O ATOM 772 CB SER A 61 112.812 -9.199 4.827 1.00 0.00 C ATOM 773 OG SER A 61 112.712 -9.825 6.094 1.00 0.00 O ATOM 0 H SER A 61 110.277 -9.020 3.101 1.00 0.00 H new ATOM 0 HA SER A 61 111.316 -7.807 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 61 112.885 -9.958 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 61 113.726 -8.607 4.782 1.00 0.00 H new ATOM 0 HG SER A 61 111.783 -9.791 6.403 1.00 0.00 H new ATOM 779 N THR A 62 111.048 -6.292 3.319 1.00 0.00 N ATOM 780 CA THR A 62 111.267 -5.211 2.370 1.00 0.00 C ATOM 781 C THR A 62 111.860 -3.992 3.059 1.00 0.00 C ATOM 782 O THR A 62 112.441 -3.122 2.408 1.00 0.00 O ATOM 783 CB THR A 62 109.957 -4.826 1.688 1.00 0.00 C ATOM 784 OG1 THR A 62 108.868 -5.557 2.227 1.00 0.00 O ATOM 785 CG2 THR A 62 109.968 -5.051 0.191 1.00 0.00 C ATOM 0 H THR A 62 110.145 -6.260 3.792 1.00 0.00 H new ATOM 0 HA THR A 62 111.973 -5.566 1.619 1.00 0.00 H new ATOM 0 HB THR A 62 109.843 -3.758 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 62 108.981 -6.509 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 62 109.006 -4.756 -0.228 1.00 0.00 H new ATOM 0 HG22 THR A 62 110.759 -4.453 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 62 110.147 -6.106 -0.017 1.00 0.00 H new ATOM 793 N TYR A 63 111.713 -3.930 4.379 1.00 0.00 N ATOM 794 CA TYR A 63 112.237 -2.816 5.155 1.00 0.00 C ATOM 795 C TYR A 63 113.675 -2.519 4.759 1.00 0.00 C ATOM 796 O TYR A 63 114.136 -1.385 4.865 1.00 0.00 O ATOM 797 CB TYR A 63 112.168 -3.123 6.645 1.00 0.00 C ATOM 798 CG TYR A 63 110.922 -2.593 7.319 1.00 0.00 C ATOM 799 CD1 TYR A 63 109.660 -3.005 6.911 1.00 0.00 C ATOM 800 CD2 TYR A 63 111.009 -1.680 8.362 1.00 0.00 C ATOM 801 CE1 TYR A 63 108.518 -2.522 7.524 1.00 0.00 C ATOM 802 CE2 TYR A 63 109.872 -1.193 8.981 1.00 0.00 C ATOM 803 CZ TYR A 63 108.631 -1.617 8.558 1.00 0.00 C ATOM 804 OH TYR A 63 107.497 -1.134 9.170 1.00 0.00 O ATOM 0 H TYR A 63 111.234 -4.640 4.932 1.00 0.00 H new ATOM 0 HA TYR A 63 111.624 -1.940 4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 63 112.216 -4.203 6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 63 113.044 -2.698 7.135 1.00 0.00 H new ATOM 0 HD1 TYR A 63 109.569 -3.714 6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 63 111.980 -1.345 8.695 1.00 0.00 H new ATOM 0 HE1 TYR A 63 107.544 -2.852 7.195 1.00 0.00 H new ATOM 0 HE2 TYR A 63 109.956 -0.484 9.792 1.00 0.00 H new ATOM 0 HH TYR A 63 107.750 -0.507 9.879 1.00 0.00 H new ATOM 814 N THR A 64 114.376 -3.546 4.291 1.00 0.00 N ATOM 815 CA THR A 64 115.759 -3.390 3.864 1.00 0.00 C ATOM 816 C THR A 64 115.889 -2.204 2.913 1.00 0.00 C ATOM 817 O THR A 64 116.949 -1.586 2.816 1.00 0.00 O ATOM 818 CB THR A 64 116.254 -4.666 3.180 1.00 0.00 C ATOM 819 OG1 THR A 64 115.665 -5.812 3.770 1.00 0.00 O ATOM 820 CG2 THR A 64 117.755 -4.837 3.245 1.00 0.00 C ATOM 0 H THR A 64 114.009 -4.493 4.198 1.00 0.00 H new ATOM 0 HA THR A 64 116.373 -3.204 4.745 1.00 0.00 H new ATOM 0 HB THR A 64 115.962 -4.565 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 64 114.837 -6.036 3.295 1.00 0.00 H new ATOM 0 HG21 THR A 64 118.038 -5.761 2.741 1.00 0.00 H new ATOM 0 HG22 THR A 64 118.239 -3.993 2.754 1.00 0.00 H new ATOM 0 HG23 THR A 64 118.071 -4.880 4.287 1.00 0.00 H new ATOM 828 N GLY A 65 114.796 -1.887 2.218 1.00 0.00 N ATOM 829 CA GLY A 65 114.808 -0.773 1.293 1.00 0.00 C ATOM 830 C GLY A 65 114.652 0.566 1.992 1.00 0.00 C ATOM 831 O GLY A 65 115.004 1.605 1.435 1.00 0.00 O ATOM 0 H GLY A 65 113.907 -2.383 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 65 115.743 -0.780 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 65 114.002 -0.897 0.569 1.00 0.00 H new ATOM 835 N ILE A 66 114.121 0.546 3.215 1.00 0.00 N ATOM 836 CA ILE A 66 113.923 1.772 3.977 1.00 0.00 C ATOM 837 C ILE A 66 114.840 1.829 5.196 1.00 0.00 C ATOM 838 O ILE A 66 114.997 2.884 5.811 1.00 0.00 O ATOM 839 CB ILE A 66 112.466 1.907 4.451 1.00 0.00 C ATOM 840 CG1 ILE A 66 111.498 1.511 3.333 1.00 0.00 C ATOM 841 CG2 ILE A 66 112.188 3.326 4.924 1.00 0.00 C ATOM 842 CD1 ILE A 66 111.602 2.390 2.105 1.00 0.00 C ATOM 0 H ILE A 66 113.823 -0.303 3.695 1.00 0.00 H new ATOM 0 HA ILE A 66 114.165 2.596 3.306 1.00 0.00 H new ATOM 0 HB ILE A 66 112.313 1.230 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 66 111.689 0.477 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 66 110.478 1.553 3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.152 3.403 5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.853 3.570 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 66 112.359 4.023 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 66 110.888 2.052 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 66 111.382 3.422 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 66 112.612 2.330 1.699 1.00 0.00 H new ATOM 854 N PHE A 67 115.442 0.690 5.549 1.00 0.00 N ATOM 855 CA PHE A 67 116.342 0.618 6.699 1.00 0.00 C ATOM 856 C PHE A 67 117.276 1.824 6.743 1.00 0.00 C ATOM 857 O PHE A 67 117.668 2.282 7.815 1.00 0.00 O ATOM 858 CB PHE A 67 117.160 -0.673 6.651 1.00 0.00 C ATOM 859 CG PHE A 67 117.578 -1.172 8.005 1.00 0.00 C ATOM 860 CD1 PHE A 67 116.635 -1.395 8.996 1.00 0.00 C ATOM 861 CD2 PHE A 67 118.912 -1.416 8.287 1.00 0.00 C ATOM 862 CE1 PHE A 67 117.016 -1.854 10.243 1.00 0.00 C ATOM 863 CE2 PHE A 67 119.299 -1.874 9.533 1.00 0.00 C ATOM 864 CZ PHE A 67 118.349 -2.094 10.511 1.00 0.00 C ATOM 0 H PHE A 67 115.321 -0.194 5.054 1.00 0.00 H new ATOM 0 HA PHE A 67 115.733 0.623 7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 67 116.574 -1.446 6.153 1.00 0.00 H new ATOM 0 HB3 PHE A 67 118.050 -0.507 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 67 115.591 -1.208 8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 67 119.658 -1.247 7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 67 116.272 -2.025 11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 67 120.342 -2.059 9.741 1.00 0.00 H new ATOM 0 HZ PHE A 67 118.648 -2.453 11.484 1.00 0.00 H new ATOM 874 N THR A 68 117.618 2.337 5.566 1.00 0.00 N ATOM 875 CA THR A 68 118.494 3.496 5.463 1.00 0.00 C ATOM 876 C THR A 68 117.714 4.725 5.007 1.00 0.00 C ATOM 877 O THR A 68 118.131 5.859 5.245 1.00 0.00 O ATOM 878 CB THR A 68 119.640 3.213 4.490 1.00 0.00 C ATOM 879 OG1 THR A 68 120.219 1.947 4.753 1.00 0.00 O ATOM 880 CG2 THR A 68 120.745 4.246 4.550 1.00 0.00 C ATOM 0 H THR A 68 117.301 1.967 4.670 1.00 0.00 H new ATOM 0 HA THR A 68 118.910 3.696 6.451 1.00 0.00 H new ATOM 0 HB THR A 68 119.191 3.243 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 68 120.949 1.783 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 68 121.526 3.986 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 68 120.340 5.227 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 68 121.166 4.270 5.555 1.00 0.00 H new ATOM 888 N ASP A 69 116.576 4.496 4.356 1.00 0.00 N ATOM 889 CA ASP A 69 115.740 5.590 3.877 1.00 0.00 C ATOM 890 C ASP A 69 115.015 6.258 5.037 1.00 0.00 C ATOM 891 O ASP A 69 114.845 7.478 5.057 1.00 0.00 O ATOM 892 CB ASP A 69 114.728 5.077 2.852 1.00 0.00 C ATOM 893 CG ASP A 69 114.493 6.064 1.725 1.00 0.00 C ATOM 894 OD1 ASP A 69 115.471 6.704 1.284 1.00 0.00 O ATOM 895 OD2 ASP A 69 113.333 6.197 1.284 1.00 0.00 O ATOM 0 H ASP A 69 116.214 3.565 4.149 1.00 0.00 H new ATOM 0 HA ASP A 69 116.384 6.328 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 69 115.083 4.134 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 69 113.782 4.870 3.352 1.00 0.00 H new ATOM 900 N GLN A 70 114.593 5.452 6.007 1.00 0.00 N ATOM 901 CA GLN A 70 113.892 5.969 7.175 1.00 0.00 C ATOM 902 C GLN A 70 114.829 6.806 8.039 1.00 0.00 C ATOM 903 O GLN A 70 114.406 7.770 8.678 1.00 0.00 O ATOM 904 CB GLN A 70 113.310 4.817 7.998 1.00 0.00 C ATOM 905 CG GLN A 70 112.115 5.221 8.847 1.00 0.00 C ATOM 906 CD GLN A 70 112.269 4.821 10.302 1.00 0.00 C ATOM 907 OE1 GLN A 70 111.352 4.264 10.906 1.00 0.00 O ATOM 908 NE2 GLN A 70 113.434 5.104 10.873 1.00 0.00 N ATOM 0 H GLN A 70 114.725 4.441 6.006 1.00 0.00 H new ATOM 0 HA GLN A 70 113.077 6.605 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 70 113.012 4.014 7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 70 114.088 4.416 8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 70 111.978 6.300 8.784 1.00 0.00 H new ATOM 0 HG3 GLN A 70 111.214 4.761 8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 70 114.167 5.567 10.335 1.00 0.00 H new ATOM 0 HE22 GLN A 70 113.596 4.859 11.850 1.00 0.00 H new ATOM 917 N VAL A 71 116.104 6.430 8.052 1.00 0.00 N ATOM 918 CA VAL A 71 117.104 7.142 8.833 1.00 0.00 C ATOM 919 C VAL A 71 117.738 8.264 8.015 1.00 0.00 C ATOM 920 O VAL A 71 118.032 9.338 8.540 1.00 0.00 O ATOM 921 CB VAL A 71 118.205 6.182 9.318 1.00 0.00 C ATOM 922 CG1 VAL A 71 119.282 6.932 10.090 1.00 0.00 C ATOM 923 CG2 VAL A 71 117.607 5.073 10.170 1.00 0.00 C ATOM 0 H VAL A 71 116.468 5.634 7.528 1.00 0.00 H new ATOM 0 HA VAL A 71 116.598 7.573 9.697 1.00 0.00 H new ATOM 0 HB VAL A 71 118.672 5.731 8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 71 120.048 6.230 10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 71 119.735 7.685 9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 71 118.836 7.418 10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 71 118.400 4.404 10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 71 117.110 5.508 11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 71 116.883 4.511 9.580 1.00 0.00 H new ATOM 933 N LEU A 72 117.945 8.007 6.728 1.00 0.00 N ATOM 934 CA LEU A 72 118.543 8.997 5.838 1.00 0.00 C ATOM 935 C LEU A 72 117.697 10.265 5.785 1.00 0.00 C ATOM 936 O LEU A 72 118.213 11.356 5.548 1.00 0.00 O ATOM 937 CB LEU A 72 118.705 8.417 4.431 1.00 0.00 C ATOM 938 CG LEU A 72 119.269 9.388 3.391 1.00 0.00 C ATOM 939 CD1 LEU A 72 120.133 8.648 2.381 1.00 0.00 C ATOM 940 CD2 LEU A 72 118.142 10.129 2.689 1.00 0.00 C ATOM 0 H LEU A 72 117.708 7.123 6.278 1.00 0.00 H new ATOM 0 HA LEU A 72 119.526 9.256 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 72 119.360 7.547 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 72 117.733 8.063 4.086 1.00 0.00 H new ATOM 0 HG LEU A 72 119.894 10.118 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 72 120.525 9.355 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 72 120.962 8.163 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 72 119.532 7.895 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 72 118.561 10.815 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 72 117.492 9.412 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 72 117.564 10.692 3.422 1.00 0.00 H new ATOM 952 N SER A 73 116.396 10.113 6.007 1.00 0.00 N ATOM 953 CA SER A 73 115.481 11.247 5.986 1.00 0.00 C ATOM 954 C SER A 73 115.562 12.037 7.288 1.00 0.00 C ATOM 955 O SER A 73 115.260 13.230 7.320 1.00 0.00 O ATOM 956 CB SER A 73 114.047 10.769 5.755 1.00 0.00 C ATOM 957 OG SER A 73 113.823 10.464 4.390 1.00 0.00 O ATOM 0 H SER A 73 115.952 9.216 6.203 1.00 0.00 H new ATOM 0 HA SER A 73 115.775 11.902 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 73 113.852 9.886 6.364 1.00 0.00 H new ATOM 0 HB3 SER A 73 113.347 11.540 6.078 1.00 0.00 H new ATOM 0 HG SER A 73 114.043 9.524 4.224 1.00 0.00 H new ATOM 963 N VAL A 74 115.972 11.367 8.361 1.00 0.00 N ATOM 964 CA VAL A 74 116.094 12.011 9.662 1.00 0.00 C ATOM 965 C VAL A 74 117.048 13.198 9.591 1.00 0.00 C ATOM 966 O VAL A 74 116.880 14.186 10.307 1.00 0.00 O ATOM 967 CB VAL A 74 116.582 11.019 10.734 1.00 0.00 C ATOM 968 CG1 VAL A 74 116.766 11.713 12.076 1.00 0.00 C ATOM 969 CG2 VAL A 74 115.608 9.858 10.859 1.00 0.00 C ATOM 0 H VAL A 74 116.225 10.379 8.354 1.00 0.00 H new ATOM 0 HA VAL A 74 115.103 12.366 9.943 1.00 0.00 H new ATOM 0 HB VAL A 74 117.551 10.629 10.424 1.00 0.00 H new ATOM 0 HG11 VAL A 74 117.111 10.990 12.815 1.00 0.00 H new ATOM 0 HG12 VAL A 74 117.503 12.509 11.976 1.00 0.00 H new ATOM 0 HG13 VAL A 74 115.816 12.137 12.400 1.00 0.00 H new ATOM 0 HG21 VAL A 74 115.965 9.164 11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 74 114.626 10.236 11.144 1.00 0.00 H new ATOM 0 HG23 VAL A 74 115.534 9.341 9.902 1.00 0.00 H new ATOM 979 N LEU A 75 118.042 13.100 8.714 1.00 0.00 N ATOM 980 CA LEU A 75 119.013 14.173 8.541 1.00 0.00 C ATOM 981 C LEU A 75 118.310 15.476 8.172 1.00 0.00 C ATOM 982 O LEU A 75 118.840 16.565 8.392 1.00 0.00 O ATOM 983 CB LEU A 75 120.032 13.802 7.461 1.00 0.00 C ATOM 984 CG LEU A 75 121.306 13.133 7.975 1.00 0.00 C ATOM 985 CD1 LEU A 75 121.117 11.627 8.074 1.00 0.00 C ATOM 986 CD2 LEU A 75 122.485 13.465 7.072 1.00 0.00 C ATOM 0 H LEU A 75 118.196 12.290 8.113 1.00 0.00 H new ATOM 0 HA LEU A 75 119.538 14.315 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 75 119.553 13.134 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 75 120.308 14.706 6.918 1.00 0.00 H new ATOM 0 HG LEU A 75 121.517 13.518 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 75 122.035 11.168 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 75 120.301 11.407 8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 75 120.880 11.225 7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 75 123.383 12.980 7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 75 122.281 13.109 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 75 122.636 14.544 7.053 1.00 0.00 H new ATOM 998 N LYS A 76 117.107 15.354 7.613 1.00 0.00 N ATOM 999 CA LYS A 76 116.324 16.518 7.218 1.00 0.00 C ATOM 1000 C LYS A 76 114.936 16.100 6.755 1.00 0.00 C ATOM 1001 O LYS A 76 114.783 15.423 5.739 1.00 0.00 O ATOM 1002 CB LYS A 76 117.038 17.294 6.110 1.00 0.00 C ATOM 1003 CG LYS A 76 116.764 18.789 6.141 1.00 0.00 C ATOM 1004 CD LYS A 76 117.435 19.502 4.979 1.00 0.00 C ATOM 1005 CE LYS A 76 116.750 19.185 3.659 1.00 0.00 C ATOM 1006 NZ LYS A 76 117.727 19.051 2.544 1.00 0.00 N ATOM 0 H LYS A 76 116.655 14.459 7.424 1.00 0.00 H new ATOM 0 HA LYS A 76 116.219 17.167 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 76 118.112 17.128 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 76 116.730 16.897 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 76 115.689 18.964 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 76 117.123 19.206 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 76 117.415 20.578 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 76 118.483 19.207 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 76 116.183 18.259 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 76 116.035 19.973 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 117.220 18.835 1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 118.251 19.942 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 118.394 18.282 2.757 1.00 0.00 H new ATOM 1020 N GLY A 77 113.928 16.500 7.520 1.00 0.00 N ATOM 1021 CA GLY A 77 112.560 16.153 7.193 1.00 0.00 C ATOM 1022 C GLY A 77 111.955 15.207 8.212 1.00 0.00 C ATOM 1023 O GLY A 77 110.763 14.907 8.160 1.00 0.00 O ATOM 0 H GLY A 77 114.035 17.061 8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 77 111.959 17.061 7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 77 112.529 15.691 6.206 1.00 0.00 H new ATOM 1027 N GLU A 78 112.784 14.740 9.147 1.00 0.00 N ATOM 1028 CA GLU A 78 112.337 13.827 10.192 1.00 0.00 C ATOM 1029 C GLU A 78 111.447 12.725 9.625 1.00 0.00 C ATOM 1030 O GLU A 78 110.547 12.227 10.302 1.00 0.00 O ATOM 1031 CB GLU A 78 111.591 14.605 11.272 1.00 0.00 C ATOM 1032 CG GLU A 78 111.206 13.763 12.477 1.00 0.00 C ATOM 1033 CD GLU A 78 111.304 14.532 13.780 1.00 0.00 C ATOM 1034 OE1 GLU A 78 112.367 15.136 14.035 1.00 0.00 O ATOM 1035 OE2 GLU A 78 110.316 14.531 14.546 1.00 0.00 O ATOM 0 H GLU A 78 113.773 14.983 9.199 1.00 0.00 H new ATOM 0 HA GLU A 78 113.216 13.352 10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 78 112.214 15.436 11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.689 15.037 10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.187 13.398 12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.854 12.888 12.526 1.00 0.00 H new ATOM 1042 N GLU A 79 111.709 12.349 8.378 1.00 0.00 N ATOM 1043 CA GLU A 79 110.935 11.306 7.715 1.00 0.00 C ATOM 1044 C GLU A 79 111.732 10.008 7.631 1.00 0.00 C ATOM 1045 O GLU A 79 111.343 9.127 6.837 1.00 0.00 O ATOM 1046 CB GLU A 79 110.525 11.758 6.313 1.00 0.00 C ATOM 1047 CG GLU A 79 109.165 11.236 5.879 1.00 0.00 C ATOM 1048 CD GLU A 79 108.044 11.709 6.784 1.00 0.00 C ATOM 1049 OE1 GLU A 79 107.848 11.099 7.855 1.00 0.00 O ATOM 1050 OE2 GLU A 79 107.361 12.691 6.420 1.00 0.00 O ATOM 1051 OXT GLU A 79 112.738 9.884 8.360 1.00 0.00 O ATOM 0 H GLU A 79 112.452 12.751 7.806 1.00 0.00 H new ATOM 0 HA GLU A 79 110.038 11.123 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 79 110.514 12.847 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 79 111.278 11.425 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 79 108.964 11.560 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 79 109.184 10.146 5.869 1.00 0.00 H new TER 1058 GLU A 79