USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 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 32:sc= 0.0446 USER MOD Single : A 16 THR OG1 : rot 113:sc= 1.33 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 87:sc= 1.08 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.22 F(o=-0.76,f=-0.22) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.26) 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 101:sc= 0.664 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 71:sc= 0.212 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 102:sc= 1.21 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.716 USER MOD Single : A 62 THR OG1 : rot -56:sc= 0.472 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0238 X(o=-0.024,f=-0.44) USER MOD Single : A 73 SER OG : rot 86:sc= 0.269 USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= -0.108 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 91.722 -20.483 -0.181 1.00 0.00 N ATOM 2 CA THR A 13 90.937 -20.961 -1.349 1.00 0.00 C ATOM 3 C THR A 13 89.695 -20.098 -1.567 1.00 0.00 C ATOM 4 O THR A 13 89.734 -19.121 -2.316 1.00 0.00 O ATOM 5 CB THR A 13 90.551 -22.424 -1.104 1.00 0.00 C ATOM 6 OG1 THR A 13 91.706 -23.241 -1.035 1.00 0.00 O ATOM 7 CG2 THR A 13 89.648 -22.996 -2.177 1.00 0.00 C ATOM 0 HA THR A 13 91.541 -20.884 -2.253 1.00 0.00 H new ATOM 0 HB THR A 13 90.008 -22.424 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 13 92.448 -22.727 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 13 89.414 -24.034 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 13 88.725 -22.418 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 13 90.154 -22.948 -3.141 1.00 0.00 H new ATOM 15 N PHE A 14 88.597 -20.455 -0.906 1.00 0.00 N ATOM 16 CA PHE A 14 87.355 -19.702 -1.029 1.00 0.00 C ATOM 17 C PHE A 14 87.419 -18.434 -0.186 1.00 0.00 C ATOM 18 O PHE A 14 86.740 -17.448 -0.476 1.00 0.00 O ATOM 19 CB PHE A 14 86.166 -20.561 -0.596 1.00 0.00 C ATOM 20 CG PHE A 14 84.843 -19.862 -0.720 1.00 0.00 C ATOM 21 CD1 PHE A 14 84.399 -19.402 -1.950 1.00 0.00 C ATOM 22 CD2 PHE A 14 84.042 -19.662 0.393 1.00 0.00 C ATOM 23 CE1 PHE A 14 83.182 -18.758 -2.067 1.00 0.00 C ATOM 24 CE2 PHE A 14 82.825 -19.018 0.283 1.00 0.00 C ATOM 25 CZ PHE A 14 82.394 -18.565 -0.949 1.00 0.00 C ATOM 0 H PHE A 14 88.543 -21.260 -0.281 1.00 0.00 H new ATOM 0 HA PHE A 14 87.223 -19.422 -2.074 1.00 0.00 H new ATOM 0 HB2 PHE A 14 86.146 -21.469 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 14 86.309 -20.869 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 14 85.012 -19.549 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 14 84.374 -20.014 1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 14 82.847 -18.406 -3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 14 82.211 -18.869 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 14 81.443 -18.061 -1.038 1.00 0.00 H new ATOM 35 N LEU A 15 88.244 -18.465 0.855 1.00 0.00 N ATOM 36 CA LEU A 15 88.404 -17.318 1.739 1.00 0.00 C ATOM 37 C LEU A 15 89.480 -16.374 1.210 1.00 0.00 C ATOM 38 O LEU A 15 89.446 -15.171 1.469 1.00 0.00 O ATOM 39 CB LEU A 15 88.764 -17.781 3.152 1.00 0.00 C ATOM 40 CG LEU A 15 90.140 -18.433 3.289 1.00 0.00 C ATOM 41 CD1 LEU A 15 91.207 -17.380 3.549 1.00 0.00 C ATOM 42 CD2 LEU A 15 90.128 -19.469 4.403 1.00 0.00 C ATOM 0 H LEU A 15 88.813 -19.273 1.107 1.00 0.00 H new ATOM 0 HA LEU A 15 87.456 -16.780 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 15 88.717 -16.922 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 15 88.008 -18.490 3.489 1.00 0.00 H new ATOM 0 HG LEU A 15 90.378 -18.937 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 15 92.180 -17.863 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 15 91.232 -16.674 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 15 90.975 -16.847 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 15 91.115 -19.924 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 89.869 -18.987 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 15 89.392 -20.240 4.175 1.00 0.00 H new ATOM 54 N THR A 16 90.434 -16.927 0.466 1.00 0.00 N ATOM 55 CA THR A 16 91.517 -16.132 -0.100 1.00 0.00 C ATOM 56 C THR A 16 91.019 -15.295 -1.270 1.00 0.00 C ATOM 57 O THR A 16 91.519 -14.196 -1.515 1.00 0.00 O ATOM 58 CB THR A 16 92.662 -17.038 -0.554 1.00 0.00 C ATOM 59 OG1 THR A 16 92.911 -18.050 0.405 1.00 0.00 O ATOM 60 CG2 THR A 16 93.960 -16.293 -0.782 1.00 0.00 C ATOM 0 H THR A 16 90.478 -17.921 0.242 1.00 0.00 H new ATOM 0 HA THR A 16 91.884 -15.459 0.675 1.00 0.00 H new ATOM 0 HB THR A 16 92.335 -17.464 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 16 92.672 -18.923 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 16 94.731 -16.994 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 16 93.815 -15.536 -1.553 1.00 0.00 H new ATOM 0 HG23 THR A 16 94.271 -15.811 0.145 1.00 0.00 H new ATOM 68 N GLN A 17 90.029 -15.812 -1.989 1.00 0.00 N ATOM 69 CA GLN A 17 89.470 -15.097 -3.125 1.00 0.00 C ATOM 70 C GLN A 17 88.831 -13.791 -2.662 1.00 0.00 C ATOM 71 O GLN A 17 89.138 -12.720 -3.185 1.00 0.00 O ATOM 72 CB GLN A 17 88.453 -15.979 -3.869 1.00 0.00 C ATOM 73 CG GLN A 17 86.996 -15.622 -3.608 1.00 0.00 C ATOM 74 CD GLN A 17 86.055 -16.220 -4.636 1.00 0.00 C ATOM 75 OE1 GLN A 17 85.457 -15.502 -5.438 1.00 0.00 O ATOM 76 NE2 GLN A 17 85.920 -17.541 -4.618 1.00 0.00 N ATOM 0 H GLN A 17 89.600 -16.719 -1.805 1.00 0.00 H new ATOM 0 HA GLN A 17 90.274 -14.855 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 17 88.645 -15.908 -4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 17 88.616 -17.018 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 17 86.713 -15.971 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 17 86.886 -14.538 -3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 17 86.435 -18.097 -3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 17 85.301 -18.000 -5.287 1.00 0.00 H new ATOM 85 N VAL A 18 87.946 -13.887 -1.671 1.00 0.00 N ATOM 86 CA VAL A 18 87.279 -12.705 -1.139 1.00 0.00 C ATOM 87 C VAL A 18 88.307 -11.765 -0.542 1.00 0.00 C ATOM 88 O VAL A 18 88.180 -10.546 -0.635 1.00 0.00 O ATOM 89 CB VAL A 18 86.232 -13.046 -0.060 1.00 0.00 C ATOM 90 CG1 VAL A 18 85.172 -11.957 0.011 1.00 0.00 C ATOM 91 CG2 VAL A 18 85.589 -14.402 -0.320 1.00 0.00 C ATOM 0 H VAL A 18 87.677 -14.764 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 18 86.757 -12.234 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 18 86.745 -13.100 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 18 84.440 -12.212 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.643 -11.006 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.673 -11.872 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 18 84.856 -14.612 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 18 85.094 -14.390 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.357 -15.176 -0.314 1.00 0.00 H new ATOM 101 N LYS A 19 89.342 -12.345 0.058 1.00 0.00 N ATOM 102 CA LYS A 19 90.409 -11.559 0.653 1.00 0.00 C ATOM 103 C LYS A 19 91.011 -10.625 -0.389 1.00 0.00 C ATOM 104 O LYS A 19 91.562 -9.577 -0.055 1.00 0.00 O ATOM 105 CB LYS A 19 91.491 -12.472 1.232 1.00 0.00 C ATOM 106 CG LYS A 19 92.594 -11.721 1.962 1.00 0.00 C ATOM 107 CD LYS A 19 93.209 -12.570 3.064 1.00 0.00 C ATOM 108 CE LYS A 19 94.695 -12.293 3.215 1.00 0.00 C ATOM 109 NZ LYS A 19 95.261 -12.945 4.429 1.00 0.00 N ATOM 0 H LYS A 19 89.461 -13.354 0.143 1.00 0.00 H new ATOM 0 HA LYS A 19 89.991 -10.963 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 19 91.028 -13.180 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 19 91.933 -13.055 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 19 93.368 -11.428 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 19 92.190 -10.804 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 19 92.702 -12.367 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 19 93.055 -13.626 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 19 95.223 -12.651 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 19 94.860 -11.217 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 96.277 -12.732 4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 94.775 -12.585 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 95.127 -13.974 4.365 1.00 0.00 H new ATOM 123 N GLU A 20 90.882 -11.007 -1.659 1.00 0.00 N ATOM 124 CA GLU A 20 91.396 -10.190 -2.748 1.00 0.00 C ATOM 125 C GLU A 20 90.444 -9.034 -3.042 1.00 0.00 C ATOM 126 O GLU A 20 90.819 -8.054 -3.685 1.00 0.00 O ATOM 127 CB GLU A 20 91.593 -11.037 -4.007 1.00 0.00 C ATOM 128 CG GLU A 20 92.618 -12.146 -3.840 1.00 0.00 C ATOM 129 CD GLU A 20 92.639 -13.101 -5.016 1.00 0.00 C ATOM 130 OE1 GLU A 20 91.611 -13.767 -5.260 1.00 0.00 O ATOM 131 OE2 GLU A 20 93.685 -13.184 -5.695 1.00 0.00 O ATOM 0 H GLU A 20 90.429 -11.872 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 20 92.361 -9.783 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 20 90.637 -11.477 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 20 91.902 -10.388 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 20 93.607 -11.706 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 20 92.401 -12.703 -2.928 1.00 0.00 H new ATOM 138 N SER A 21 89.206 -9.159 -2.566 1.00 0.00 N ATOM 139 CA SER A 21 88.193 -8.136 -2.773 1.00 0.00 C ATOM 140 C SER A 21 87.951 -7.344 -1.493 1.00 0.00 C ATOM 141 O SER A 21 88.027 -6.116 -1.492 1.00 0.00 O ATOM 142 CB SER A 21 86.892 -8.783 -3.227 1.00 0.00 C ATOM 143 OG SER A 21 86.522 -8.340 -4.521 1.00 0.00 O ATOM 0 H SER A 21 88.883 -9.966 -2.032 1.00 0.00 H new ATOM 0 HA SER A 21 88.550 -7.451 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 21 87.004 -9.867 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 21 86.099 -8.546 -2.518 1.00 0.00 H new ATOM 0 HG SER A 21 85.684 -8.773 -4.788 1.00 0.00 H new ATOM 149 N LEU A 22 87.665 -8.052 -0.399 1.00 0.00 N ATOM 150 CA LEU A 22 87.424 -7.397 0.880 1.00 0.00 C ATOM 151 C LEU A 22 88.650 -6.596 1.303 1.00 0.00 C ATOM 152 O LEU A 22 88.561 -5.698 2.140 1.00 0.00 O ATOM 153 CB LEU A 22 87.069 -8.426 1.953 1.00 0.00 C ATOM 154 CG LEU A 22 88.156 -9.465 2.232 1.00 0.00 C ATOM 155 CD1 LEU A 22 88.987 -9.058 3.439 1.00 0.00 C ATOM 156 CD2 LEU A 22 87.538 -10.839 2.447 1.00 0.00 C ATOM 0 H LEU A 22 87.596 -9.069 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 22 86.582 -6.715 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 22 86.843 -7.900 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 22 86.159 -8.945 1.651 1.00 0.00 H new ATOM 0 HG LEU A 22 88.814 -9.516 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 22 89.755 -9.809 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 22 89.460 -8.095 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 22 88.342 -8.978 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 22 88.326 -11.566 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 22 86.857 -10.803 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 22 86.988 -11.134 1.554 1.00 0.00 H new ATOM 168 N SER A 23 89.792 -6.925 0.708 1.00 0.00 N ATOM 169 CA SER A 23 91.039 -6.236 1.007 1.00 0.00 C ATOM 170 C SER A 23 91.469 -5.347 -0.159 1.00 0.00 C ATOM 171 O SER A 23 92.367 -4.518 -0.016 1.00 0.00 O ATOM 172 CB SER A 23 92.142 -7.246 1.328 1.00 0.00 C ATOM 173 OG SER A 23 91.636 -8.329 2.090 1.00 0.00 O ATOM 0 H SER A 23 89.878 -7.667 0.014 1.00 0.00 H new ATOM 0 HA SER A 23 90.871 -5.602 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 23 92.577 -7.621 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 23 92.942 -6.752 1.879 1.00 0.00 H new ATOM 0 HG SER A 23 91.274 -9.012 1.488 1.00 0.00 H new ATOM 179 N SER A 24 90.826 -5.520 -1.315 1.00 0.00 N ATOM 180 CA SER A 24 91.158 -4.724 -2.492 1.00 0.00 C ATOM 181 C SER A 24 90.933 -3.236 -2.233 1.00 0.00 C ATOM 182 O SER A 24 91.484 -2.385 -2.934 1.00 0.00 O ATOM 183 CB SER A 24 90.334 -5.184 -3.699 1.00 0.00 C ATOM 184 OG SER A 24 90.042 -4.103 -4.569 1.00 0.00 O ATOM 0 H SER A 24 90.079 -6.199 -1.459 1.00 0.00 H new ATOM 0 HA SER A 24 92.215 -4.873 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 24 90.882 -5.953 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 24 89.404 -5.638 -3.355 1.00 0.00 H new ATOM 0 HG SER A 24 89.517 -4.428 -5.330 1.00 0.00 H new ATOM 190 N TYR A 25 90.139 -2.927 -1.216 1.00 0.00 N ATOM 191 CA TYR A 25 89.863 -1.543 -0.859 1.00 0.00 C ATOM 192 C TYR A 25 90.725 -1.125 0.324 1.00 0.00 C ATOM 193 O TYR A 25 90.853 0.061 0.628 1.00 0.00 O ATOM 194 CB TYR A 25 88.382 -1.357 -0.525 1.00 0.00 C ATOM 195 CG TYR A 25 87.500 -1.201 -1.745 1.00 0.00 C ATOM 196 CD1 TYR A 25 87.342 -2.245 -2.648 1.00 0.00 C ATOM 197 CD2 TYR A 25 86.828 -0.011 -1.992 1.00 0.00 C ATOM 198 CE1 TYR A 25 86.537 -2.106 -3.764 1.00 0.00 C ATOM 199 CE2 TYR A 25 86.022 0.135 -3.105 1.00 0.00 C ATOM 200 CZ TYR A 25 85.880 -0.915 -3.988 1.00 0.00 C ATOM 201 OH TYR A 25 85.078 -0.773 -5.096 1.00 0.00 O ATOM 0 H TYR A 25 89.675 -3.616 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 25 90.105 -0.911 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 25 88.038 -2.214 0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 25 88.269 -0.478 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.856 -3.179 -2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.937 0.814 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 25 86.424 -2.927 -4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 25 85.506 1.067 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 25 84.688 0.126 -5.105 1.00 0.00 H new ATOM 211 N TRP A 26 91.337 -2.111 0.970 1.00 0.00 N ATOM 212 CA TRP A 26 92.214 -1.853 2.100 1.00 0.00 C ATOM 213 C TRP A 26 93.646 -1.708 1.606 1.00 0.00 C ATOM 214 O TRP A 26 94.475 -1.059 2.243 1.00 0.00 O ATOM 215 CB TRP A 26 92.117 -2.984 3.126 1.00 0.00 C ATOM 216 CG TRP A 26 92.997 -2.778 4.322 1.00 0.00 C ATOM 217 CD1 TRP A 26 94.269 -3.246 4.495 1.00 0.00 C ATOM 218 CD2 TRP A 26 92.672 -2.051 5.512 1.00 0.00 C ATOM 219 NE1 TRP A 26 94.753 -2.855 5.718 1.00 0.00 N ATOM 220 CE2 TRP A 26 93.792 -2.120 6.362 1.00 0.00 C ATOM 221 CE3 TRP A 26 91.543 -1.349 5.942 1.00 0.00 C ATOM 222 CZ2 TRP A 26 93.815 -1.514 7.615 1.00 0.00 C ATOM 223 CZ3 TRP A 26 91.567 -0.746 7.186 1.00 0.00 C ATOM 224 CH2 TRP A 26 92.696 -0.832 8.009 1.00 0.00 C ATOM 0 H TRP A 26 91.240 -3.097 0.728 1.00 0.00 H new ATOM 0 HA TRP A 26 91.905 -0.928 2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 26 91.083 -3.077 3.457 1.00 0.00 H new ATOM 0 HB3 TRP A 26 92.384 -3.925 2.645 1.00 0.00 H new ATOM 0 HD1 TRP A 26 94.814 -3.837 3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 26 95.678 -3.076 6.088 1.00 0.00 H new ATOM 0 HE3 TRP A 26 90.667 -1.279 5.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 94.684 -1.580 8.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 90.701 -0.200 7.528 1.00 0.00 H new ATOM 0 HH2 TRP A 26 92.684 -0.350 8.975 1.00 0.00 H new ATOM 235 N GLU A 27 93.920 -2.309 0.451 1.00 0.00 N ATOM 236 CA GLU A 27 95.241 -2.239 -0.151 1.00 0.00 C ATOM 237 C GLU A 27 95.380 -0.971 -0.985 1.00 0.00 C ATOM 238 O GLU A 27 96.490 -0.505 -1.247 1.00 0.00 O ATOM 239 CB GLU A 27 95.501 -3.471 -1.020 1.00 0.00 C ATOM 240 CG GLU A 27 96.106 -4.637 -0.257 1.00 0.00 C ATOM 241 CD GLU A 27 97.575 -4.428 0.057 1.00 0.00 C ATOM 242 OE1 GLU A 27 97.897 -3.453 0.768 1.00 0.00 O ATOM 243 OE2 GLU A 27 98.403 -5.240 -0.407 1.00 0.00 O ATOM 0 H GLU A 27 93.241 -2.850 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 27 95.981 -2.215 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 27 94.562 -3.791 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.169 -3.195 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 27 95.556 -4.782 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 27 95.989 -5.549 -0.842 1.00 0.00 H new ATOM 250 N SER A 28 94.244 -0.410 -1.391 1.00 0.00 N ATOM 251 CA SER A 28 94.237 0.809 -2.185 1.00 0.00 C ATOM 252 C SER A 28 94.460 2.018 -1.296 1.00 0.00 C ATOM 253 O SER A 28 95.272 2.892 -1.605 1.00 0.00 O ATOM 254 CB SER A 28 92.910 0.944 -2.926 1.00 0.00 C ATOM 255 OG SER A 28 93.048 1.752 -4.083 1.00 0.00 O ATOM 0 H SER A 28 93.318 -0.782 -1.182 1.00 0.00 H new ATOM 0 HA SER A 28 95.046 0.756 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 28 92.547 -0.044 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 28 92.163 1.379 -2.262 1.00 0.00 H new ATOM 0 HG SER A 28 92.183 1.820 -4.539 1.00 0.00 H new ATOM 261 N ALA A 29 93.745 2.055 -0.182 1.00 0.00 N ATOM 262 CA ALA A 29 93.874 3.153 0.769 1.00 0.00 C ATOM 263 C ALA A 29 95.338 3.365 1.135 1.00 0.00 C ATOM 264 O ALA A 29 95.757 4.477 1.456 1.00 0.00 O ATOM 265 CB ALA A 29 93.043 2.880 2.013 1.00 0.00 C ATOM 0 H ALA A 29 93.070 1.339 0.087 1.00 0.00 H new ATOM 0 HA ALA A 29 93.500 4.064 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 29 93.151 3.709 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 29 91.995 2.774 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 29 93.387 1.960 2.486 1.00 0.00 H new ATOM 271 N LYS A 30 96.113 2.286 1.067 1.00 0.00 N ATOM 272 CA LYS A 30 97.535 2.347 1.370 1.00 0.00 C ATOM 273 C LYS A 30 98.327 2.689 0.113 1.00 0.00 C ATOM 274 O LYS A 30 99.404 3.282 0.188 1.00 0.00 O ATOM 275 CB LYS A 30 98.014 1.014 1.949 1.00 0.00 C ATOM 276 CG LYS A 30 99.015 1.169 3.083 1.00 0.00 C ATOM 277 CD LYS A 30 100.042 0.049 3.075 1.00 0.00 C ATOM 278 CE LYS A 30 101.272 0.416 3.891 1.00 0.00 C ATOM 279 NZ LYS A 30 101.826 -0.758 4.621 1.00 0.00 N ATOM 0 H LYS A 30 95.777 1.359 0.804 1.00 0.00 H new ATOM 0 HA LYS A 30 97.699 3.128 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 30 97.152 0.453 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 30 98.468 0.423 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 30 99.522 2.130 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.488 1.174 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.594 -0.860 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 30 100.337 -0.169 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 30 102.036 0.826 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 30 101.014 1.198 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 102.663 -0.465 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 101.106 -1.135 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 102.097 -1.495 3.939 1.00 0.00 H new ATOM 293 N THR A 31 97.784 2.316 -1.045 1.00 0.00 N ATOM 294 CA THR A 31 98.440 2.591 -2.317 1.00 0.00 C ATOM 295 C THR A 31 98.425 4.085 -2.620 1.00 0.00 C ATOM 296 O THR A 31 99.327 4.604 -3.276 1.00 0.00 O ATOM 297 CB THR A 31 97.752 1.822 -3.447 1.00 0.00 C ATOM 298 OG1 THR A 31 97.749 0.431 -3.177 1.00 0.00 O ATOM 299 CG2 THR A 31 98.408 2.027 -4.796 1.00 0.00 C ATOM 0 H THR A 31 96.894 1.824 -1.126 1.00 0.00 H new ATOM 0 HA THR A 31 99.477 2.262 -2.244 1.00 0.00 H new ATOM 0 HB THR A 31 96.737 2.218 -3.491 1.00 0.00 H new ATOM 0 HG1 THR A 31 97.050 0.227 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 31 97.871 1.454 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 31 98.382 3.085 -5.056 1.00 0.00 H new ATOM 0 HG23 THR A 31 99.443 1.689 -4.752 1.00 0.00 H new ATOM 307 N ALA A 32 97.394 4.776 -2.135 1.00 0.00 N ATOM 308 CA ALA A 32 97.270 6.211 -2.357 1.00 0.00 C ATOM 309 C ALA A 32 97.707 7.008 -1.129 1.00 0.00 C ATOM 310 O ALA A 32 97.504 8.219 -1.063 1.00 0.00 O ATOM 311 CB ALA A 32 95.841 6.566 -2.739 1.00 0.00 C ATOM 0 H ALA A 32 96.637 4.365 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 32 97.933 6.479 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 32 95.764 7.641 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 32 95.568 6.040 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 32 95.166 6.271 -1.936 1.00 0.00 H new ATOM 317 N ALA A 33 98.315 6.325 -0.164 1.00 0.00 N ATOM 318 CA ALA A 33 98.787 6.978 1.049 1.00 0.00 C ATOM 319 C ALA A 33 100.305 7.067 1.045 1.00 0.00 C ATOM 320 O ALA A 33 100.882 8.053 1.502 1.00 0.00 O ATOM 321 CB ALA A 33 98.298 6.231 2.281 1.00 0.00 C ATOM 0 H ALA A 33 98.492 5.321 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 33 98.382 7.989 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 33 98.660 6.733 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 33 97.208 6.216 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 33 98.675 5.208 2.260 1.00 0.00 H new ATOM 327 N GLN A 34 100.946 6.034 0.509 1.00 0.00 N ATOM 328 CA GLN A 34 102.400 5.998 0.427 1.00 0.00 C ATOM 329 C GLN A 34 102.896 6.915 -0.688 1.00 0.00 C ATOM 330 O GLN A 34 104.059 7.317 -0.702 1.00 0.00 O ATOM 331 CB GLN A 34 102.886 4.568 0.186 1.00 0.00 C ATOM 332 CG GLN A 34 104.153 4.219 0.947 1.00 0.00 C ATOM 333 CD GLN A 34 103.920 4.092 2.440 1.00 0.00 C ATOM 334 OE1 GLN A 34 104.039 5.205 3.154 1.00 0.00 O flip ATOM 335 NE2 GLN A 34 103.636 3.006 2.946 1.00 0.00 N flip ATOM 0 H GLN A 34 100.481 5.211 0.125 1.00 0.00 H new ATOM 0 HA GLN A 34 102.805 6.351 1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 34 102.097 3.872 0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 34 103.063 4.428 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 34 104.555 3.281 0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 34 104.905 4.986 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 34 103.555 2.176 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 34 103.482 2.937 3.952 1.00 0.00 H new ATOM 344 N ASN A 35 102.004 7.246 -1.618 1.00 0.00 N ATOM 345 CA ASN A 35 102.345 8.117 -2.731 1.00 0.00 C ATOM 346 C ASN A 35 102.407 9.568 -2.275 1.00 0.00 C ATOM 347 O ASN A 35 103.421 10.244 -2.443 1.00 0.00 O ATOM 348 CB ASN A 35 101.306 7.970 -3.838 1.00 0.00 C ATOM 349 CG ASN A 35 101.889 8.204 -5.219 1.00 0.00 C ATOM 350 OD1 ASN A 35 102.479 9.250 -5.486 1.00 0.00 O ATOM 351 ND2 ASN A 35 101.723 7.228 -6.103 1.00 0.00 N ATOM 0 H ASN A 35 101.037 6.921 -1.619 1.00 0.00 H new ATOM 0 HA ASN A 35 103.325 7.828 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.873 6.971 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.494 8.677 -3.666 1.00 0.00 H new ATOM 0 HD21 ASN A 35 102.092 7.328 -7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 35 101.227 6.378 -5.837 1.00 0.00 H new ATOM 358 N LEU A 36 101.308 10.038 -1.695 1.00 0.00 N ATOM 359 CA LEU A 36 101.226 11.411 -1.208 1.00 0.00 C ATOM 360 C LEU A 36 102.212 11.642 -0.068 1.00 0.00 C ATOM 361 O LEU A 36 102.901 12.661 -0.027 1.00 0.00 O ATOM 362 CB LEU A 36 99.804 11.732 -0.737 1.00 0.00 C ATOM 363 CG LEU A 36 98.683 11.108 -1.569 1.00 0.00 C ATOM 364 CD1 LEU A 36 97.325 11.569 -1.063 1.00 0.00 C ATOM 365 CD2 LEU A 36 98.850 11.453 -3.042 1.00 0.00 C ATOM 0 H LEU A 36 100.461 9.488 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 36 101.484 12.075 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.697 11.398 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.675 12.814 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 36 98.741 10.025 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 36 96.539 11.115 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 36 97.203 11.268 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.258 12.654 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 36 98.042 10.999 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 36 98.821 12.535 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 99.807 11.072 -3.399 1.00 0.00 H new ATOM 377 N TYR A 37 102.273 10.689 0.856 1.00 0.00 N ATOM 378 CA TYR A 37 103.175 10.790 1.999 1.00 0.00 C ATOM 379 C TYR A 37 104.637 10.774 1.559 1.00 0.00 C ATOM 380 O TYR A 37 105.529 11.137 2.326 1.00 0.00 O ATOM 381 CB TYR A 37 102.916 9.652 2.986 1.00 0.00 C ATOM 382 CG TYR A 37 101.696 9.867 3.855 1.00 0.00 C ATOM 383 CD1 TYR A 37 100.451 10.113 3.289 1.00 0.00 C ATOM 384 CD2 TYR A 37 101.790 9.822 5.240 1.00 0.00 C ATOM 385 CE1 TYR A 37 99.334 10.309 4.079 1.00 0.00 C ATOM 386 CE2 TYR A 37 100.677 10.017 6.037 1.00 0.00 C ATOM 387 CZ TYR A 37 99.453 10.261 5.452 1.00 0.00 C ATOM 388 OH TYR A 37 98.344 10.456 6.242 1.00 0.00 O ATOM 0 H TYR A 37 101.710 9.839 0.837 1.00 0.00 H new ATOM 0 HA TYR A 37 102.978 11.743 2.491 1.00 0.00 H new ATOM 0 HB2 TYR A 37 102.796 8.722 2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 37 103.790 9.532 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 37 100.355 10.152 2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 37 102.748 9.632 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 37 98.373 10.499 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 37 100.766 9.978 7.113 1.00 0.00 H new ATOM 0 HH TYR A 37 98.599 10.389 7.186 1.00 0.00 H new ATOM 398 N GLU A 38 104.878 10.350 0.323 1.00 0.00 N ATOM 399 CA GLU A 38 106.233 10.289 -0.213 1.00 0.00 C ATOM 400 C GLU A 38 106.649 11.637 -0.796 1.00 0.00 C ATOM 401 O GLU A 38 107.833 11.977 -0.813 1.00 0.00 O ATOM 402 CB GLU A 38 106.330 9.204 -1.288 1.00 0.00 C ATOM 403 CG GLU A 38 107.716 9.071 -1.898 1.00 0.00 C ATOM 404 CD GLU A 38 108.472 7.866 -1.372 1.00 0.00 C ATOM 405 OE1 GLU A 38 108.693 7.793 -0.145 1.00 0.00 O ATOM 406 OE2 GLU A 38 108.843 6.997 -2.187 1.00 0.00 O ATOM 0 H GLU A 38 104.153 10.044 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 38 106.910 10.043 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 38 106.041 8.247 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 38 105.614 9.424 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.626 8.994 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.289 9.974 -1.689 1.00 0.00 H new ATOM 413 N LYS A 39 105.670 12.400 -1.271 1.00 0.00 N ATOM 414 CA LYS A 39 105.938 13.710 -1.853 1.00 0.00 C ATOM 415 C LYS A 39 105.323 14.820 -1.005 1.00 0.00 C ATOM 416 O LYS A 39 104.945 15.871 -1.522 1.00 0.00 O ATOM 417 CB LYS A 39 105.389 13.779 -3.280 1.00 0.00 C ATOM 418 CG LYS A 39 106.279 14.552 -4.238 1.00 0.00 C ATOM 419 CD LYS A 39 107.185 13.624 -5.030 1.00 0.00 C ATOM 420 CE LYS A 39 108.571 14.220 -5.213 1.00 0.00 C ATOM 421 NZ LYS A 39 109.637 13.184 -5.129 1.00 0.00 N ATOM 0 H LYS A 39 104.685 12.134 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 39 107.018 13.854 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.256 12.765 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 39 104.403 14.243 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.660 15.131 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 39 106.886 15.264 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 39 107.265 12.666 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 39 106.741 13.426 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 39 108.626 14.720 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 39 108.743 14.980 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 110.567 13.631 -5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 109.601 12.724 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 109.489 12.472 -5.872 1.00 0.00 H new ATOM 435 N THR A 40 105.227 14.580 0.299 1.00 0.00 N ATOM 436 CA THR A 40 104.659 15.561 1.214 1.00 0.00 C ATOM 437 C THR A 40 105.157 15.337 2.637 1.00 0.00 C ATOM 438 O THR A 40 105.524 16.282 3.335 1.00 0.00 O ATOM 439 CB THR A 40 103.131 15.496 1.181 1.00 0.00 C ATOM 440 OG1 THR A 40 102.672 15.142 -0.112 1.00 0.00 O ATOM 441 CG2 THR A 40 102.468 16.802 1.562 1.00 0.00 C ATOM 0 H THR A 40 105.535 13.716 0.744 1.00 0.00 H new ATOM 0 HA THR A 40 104.982 16.550 0.889 1.00 0.00 H new ATOM 0 HB THR A 40 102.858 14.740 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 40 102.438 14.191 -0.127 1.00 0.00 H new ATOM 0 HG21 THR A 40 101.385 16.687 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 40 102.763 17.078 2.574 1.00 0.00 H new ATOM 0 HG23 THR A 40 102.778 17.583 0.868 1.00 0.00 H new ATOM 449 N TYR A 41 105.164 14.081 3.058 1.00 0.00 N ATOM 450 CA TYR A 41 105.615 13.723 4.399 1.00 0.00 C ATOM 451 C TYR A 41 106.772 12.734 4.341 1.00 0.00 C ATOM 452 O TYR A 41 106.917 11.878 5.215 1.00 0.00 O ATOM 453 CB TYR A 41 104.461 13.124 5.203 1.00 0.00 C ATOM 454 CG TYR A 41 104.652 13.213 6.700 1.00 0.00 C ATOM 455 CD1 TYR A 41 104.735 14.445 7.335 1.00 0.00 C ATOM 456 CD2 TYR A 41 104.749 12.066 7.476 1.00 0.00 C ATOM 457 CE1 TYR A 41 104.909 14.532 8.704 1.00 0.00 C ATOM 458 CE2 TYR A 41 104.923 12.144 8.845 1.00 0.00 C ATOM 459 CZ TYR A 41 105.002 13.379 9.454 1.00 0.00 C ATOM 460 OH TYR A 41 105.176 13.460 10.816 1.00 0.00 O ATOM 0 H TYR A 41 104.862 13.289 2.490 1.00 0.00 H new ATOM 0 HA TYR A 41 105.962 14.631 4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 41 103.537 13.636 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 41 104.339 12.078 4.923 1.00 0.00 H new ATOM 0 HD1 TYR A 41 104.662 15.350 6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 41 104.688 11.097 7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 41 104.972 15.498 9.183 1.00 0.00 H new ATOM 0 HE2 TYR A 41 104.997 11.242 9.435 1.00 0.00 H new ATOM 0 HH TYR A 41 105.221 12.557 11.194 1.00 0.00 H new ATOM 470 N LEU A 42 107.593 12.855 3.304 1.00 0.00 N ATOM 471 CA LEU A 42 108.740 11.970 3.127 1.00 0.00 C ATOM 472 C LEU A 42 109.642 11.985 4.359 1.00 0.00 C ATOM 473 O LEU A 42 109.836 13.029 4.983 1.00 0.00 O ATOM 474 CB LEU A 42 109.544 12.367 1.883 1.00 0.00 C ATOM 475 CG LEU A 42 109.602 13.868 1.587 1.00 0.00 C ATOM 476 CD1 LEU A 42 110.992 14.268 1.117 1.00 0.00 C ATOM 477 CD2 LEU A 42 108.558 14.246 0.547 1.00 0.00 C ATOM 0 H LEU A 42 107.486 13.558 2.572 1.00 0.00 H new ATOM 0 HA LEU A 42 108.359 10.958 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 42 110.563 11.997 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 42 109.116 11.860 1.018 1.00 0.00 H new ATOM 0 HG LEU A 42 109.383 14.408 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 42 111.013 15.338 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 42 111.720 14.033 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 42 111.241 13.720 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 42 108.613 15.316 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 42 108.747 13.696 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 42 107.565 13.997 0.921 1.00 0.00 H new ATOM 489 N PRO A 43 110.205 10.820 4.731 1.00 0.00 N ATOM 490 CA PRO A 43 111.082 10.701 5.893 1.00 0.00 C ATOM 491 C PRO A 43 112.535 11.055 5.578 1.00 0.00 C ATOM 492 O PRO A 43 113.443 10.703 6.329 1.00 0.00 O ATOM 493 CB PRO A 43 110.960 9.223 6.247 1.00 0.00 C ATOM 494 CG PRO A 43 110.753 8.542 4.936 1.00 0.00 C ATOM 495 CD PRO A 43 110.022 9.523 4.050 1.00 0.00 C ATOM 0 HA PRO A 43 110.801 11.384 6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 43 111.858 8.859 6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 43 110.124 9.044 6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 43 111.707 8.256 4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 43 110.174 7.627 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.438 9.538 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 43 108.967 9.267 3.955 1.00 0.00 H new ATOM 503 N ALA A 44 112.748 11.753 4.465 1.00 0.00 N ATOM 504 CA ALA A 44 114.090 12.152 4.062 1.00 0.00 C ATOM 505 C ALA A 44 114.247 13.667 4.070 1.00 0.00 C ATOM 506 O ALA A 44 115.323 14.187 3.779 1.00 0.00 O ATOM 507 CB ALA A 44 114.419 11.590 2.687 1.00 0.00 C ATOM 0 H ALA A 44 112.009 12.052 3.829 1.00 0.00 H new ATOM 0 HA ALA A 44 114.792 11.742 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 44 115.425 11.897 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 44 114.366 10.502 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 44 113.702 11.968 1.958 1.00 0.00 H new ATOM 513 N VAL A 45 113.178 14.373 4.420 1.00 0.00 N ATOM 514 CA VAL A 45 113.225 15.828 4.478 1.00 0.00 C ATOM 515 C VAL A 45 114.230 16.272 5.534 1.00 0.00 C ATOM 516 O VAL A 45 114.858 17.324 5.411 1.00 0.00 O ATOM 517 CB VAL A 45 111.856 16.449 4.812 1.00 0.00 C ATOM 518 CG1 VAL A 45 111.822 17.914 4.408 1.00 0.00 C ATOM 519 CG2 VAL A 45 110.722 15.680 4.145 1.00 0.00 C ATOM 0 H VAL A 45 112.276 13.965 4.666 1.00 0.00 H new ATOM 0 HA VAL A 45 113.523 16.174 3.488 1.00 0.00 H new ATOM 0 HB VAL A 45 111.712 16.384 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 45 110.847 18.336 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 45 112.598 18.458 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 45 111.997 18.000 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 45 109.769 16.143 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 45 110.856 15.699 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 45 110.728 14.647 4.494 1.00 0.00 H new ATOM 529 N ASP A 46 114.383 15.452 6.570 1.00 0.00 N ATOM 530 CA ASP A 46 115.320 15.745 7.646 1.00 0.00 C ATOM 531 C ASP A 46 116.757 15.608 7.154 1.00 0.00 C ATOM 532 O ASP A 46 117.673 16.224 7.699 1.00 0.00 O ATOM 533 CB ASP A 46 115.081 14.809 8.832 1.00 0.00 C ATOM 534 CG ASP A 46 115.291 15.498 10.165 1.00 0.00 C ATOM 535 OD1 ASP A 46 116.112 16.436 10.225 1.00 0.00 O ATOM 536 OD2 ASP A 46 114.632 15.101 11.149 1.00 0.00 O ATOM 0 H ASP A 46 113.869 14.579 6.686 1.00 0.00 H new ATOM 0 HA ASP A 46 115.158 16.773 7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 46 114.064 14.419 8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 46 115.754 13.955 8.758 1.00 0.00 H new ATOM 541 N GLU A 47 116.943 14.805 6.109 1.00 0.00 N ATOM 542 CA GLU A 47 118.263 14.594 5.529 1.00 0.00 C ATOM 543 C GLU A 47 118.285 15.085 4.086 1.00 0.00 C ATOM 544 O GLU A 47 119.034 14.576 3.253 1.00 0.00 O ATOM 545 CB GLU A 47 118.642 13.113 5.589 1.00 0.00 C ATOM 546 CG GLU A 47 120.073 12.869 6.039 1.00 0.00 C ATOM 547 CD GLU A 47 120.378 11.399 6.246 1.00 0.00 C ATOM 548 OE1 GLU A 47 119.856 10.570 5.471 1.00 0.00 O ATOM 549 OE2 GLU A 47 121.137 11.076 7.184 1.00 0.00 O ATOM 0 H GLU A 47 116.194 14.290 5.647 1.00 0.00 H new ATOM 0 HA GLU A 47 118.993 15.162 6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 47 117.963 12.600 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 47 118.499 12.670 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 47 120.758 13.277 5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 47 120.254 13.408 6.969 1.00 0.00 H new ATOM 556 N LYS A 48 117.448 16.077 3.804 1.00 0.00 N ATOM 557 CA LYS A 48 117.348 16.648 2.469 1.00 0.00 C ATOM 558 C LYS A 48 116.701 18.023 2.525 1.00 0.00 C ATOM 559 O LYS A 48 117.281 19.014 2.082 1.00 0.00 O ATOM 560 CB LYS A 48 116.533 15.725 1.561 1.00 0.00 C ATOM 561 CG LYS A 48 117.018 15.701 0.120 1.00 0.00 C ATOM 562 CD LYS A 48 116.492 14.485 -0.624 1.00 0.00 C ATOM 563 CE LYS A 48 117.439 14.060 -1.735 1.00 0.00 C ATOM 564 NZ LYS A 48 117.526 12.578 -1.854 1.00 0.00 N ATOM 0 H LYS A 48 116.825 16.504 4.489 1.00 0.00 H new ATOM 0 HA LYS A 48 118.354 16.751 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 48 116.566 14.712 1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.490 16.041 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 48 116.694 16.609 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 48 118.108 15.697 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 48 116.356 13.660 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 48 115.512 14.710 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 48 117.100 14.481 -2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 48 118.431 14.468 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 118.181 12.329 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 117.874 12.178 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 116.584 12.191 -2.064 1.00 0.00 H new ATOM 578 N LEU A 49 115.489 18.078 3.072 1.00 0.00 N ATOM 579 CA LEU A 49 114.755 19.336 3.184 1.00 0.00 C ATOM 580 C LEU A 49 114.408 19.916 1.810 1.00 0.00 C ATOM 581 O LEU A 49 113.714 20.929 1.723 1.00 0.00 O ATOM 582 CB LEU A 49 115.570 20.355 3.985 1.00 0.00 C ATOM 583 CG LEU A 49 116.264 19.797 5.229 1.00 0.00 C ATOM 584 CD1 LEU A 49 117.534 20.579 5.527 1.00 0.00 C ATOM 585 CD2 LEU A 49 115.323 19.830 6.423 1.00 0.00 C ATOM 0 H LEU A 49 114.995 17.267 3.444 1.00 0.00 H new ATOM 0 HA LEU A 49 113.821 19.124 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 49 116.326 20.788 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 49 114.909 21.167 4.290 1.00 0.00 H new ATOM 0 HG LEU A 49 116.537 18.760 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 49 118.014 20.168 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 49 118.215 20.504 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 49 117.284 21.626 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 49 115.833 19.430 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 49 115.019 20.858 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 49 114.442 19.226 6.208 1.00 0.00 H new ATOM 597 N ARG A 50 114.888 19.271 0.740 1.00 0.00 N ATOM 598 CA ARG A 50 114.630 19.722 -0.626 1.00 0.00 C ATOM 599 C ARG A 50 115.627 19.096 -1.600 1.00 0.00 C ATOM 600 O ARG A 50 115.311 18.887 -2.771 1.00 0.00 O ATOM 601 CB ARG A 50 114.712 21.250 -0.732 1.00 0.00 C ATOM 602 CG ARG A 50 115.900 21.852 0.005 1.00 0.00 C ATOM 603 CD ARG A 50 115.509 23.117 0.754 1.00 0.00 C ATOM 604 NE ARG A 50 116.518 23.503 1.738 1.00 0.00 N ATOM 605 CZ ARG A 50 116.425 24.584 2.508 1.00 0.00 C ATOM 606 NH1 ARG A 50 115.373 25.389 2.412 1.00 0.00 N ATOM 607 NH2 ARG A 50 117.388 24.864 3.378 1.00 0.00 N ATOM 0 H ARG A 50 115.461 18.429 0.799 1.00 0.00 H new ATOM 0 HA ARG A 50 113.621 19.404 -0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 50 114.769 21.530 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 50 113.793 21.683 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 50 116.302 21.122 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 50 116.693 22.080 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 50 115.366 23.930 0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 50 114.554 22.961 1.256 1.00 0.00 H new ATOM 0 HE ARG A 50 117.341 22.909 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 50 114.630 25.180 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 50 115.308 26.216 3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 50 118.199 24.250 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 50 117.317 25.693 3.968 1.00 0.00 H new ATOM 621 N ASP A 51 116.834 18.802 -1.108 1.00 0.00 N ATOM 622 CA ASP A 51 117.883 18.207 -1.936 1.00 0.00 C ATOM 623 C ASP A 51 119.239 18.302 -1.244 1.00 0.00 C ATOM 624 O ASP A 51 120.274 18.433 -1.898 1.00 0.00 O ATOM 625 CB ASP A 51 117.954 18.903 -3.297 1.00 0.00 C ATOM 626 CG ASP A 51 117.348 18.067 -4.408 1.00 0.00 C ATOM 627 OD1 ASP A 51 117.868 16.963 -4.671 1.00 0.00 O ATOM 628 OD2 ASP A 51 116.354 18.518 -5.014 1.00 0.00 O ATOM 0 H ASP A 51 117.108 18.967 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 51 117.635 17.156 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 51 117.433 19.859 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 51 118.995 19.121 -3.537 1.00 0.00 H new ATOM 633 N LEU A 52 119.228 18.230 0.081 1.00 0.00 N ATOM 634 CA LEU A 52 120.459 18.301 0.859 1.00 0.00 C ATOM 635 C LEU A 52 121.162 16.948 0.905 1.00 0.00 C ATOM 636 O LEU A 52 122.140 16.768 1.631 1.00 0.00 O ATOM 637 CB LEU A 52 120.166 18.789 2.280 1.00 0.00 C ATOM 638 CG LEU A 52 121.389 19.271 3.065 1.00 0.00 C ATOM 639 CD1 LEU A 52 121.069 20.550 3.823 1.00 0.00 C ATOM 640 CD2 LEU A 52 121.871 18.189 4.021 1.00 0.00 C ATOM 0 H LEU A 52 118.381 18.123 0.639 1.00 0.00 H new ATOM 0 HA LEU A 52 121.123 19.013 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 52 119.444 19.604 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 52 119.693 17.979 2.835 1.00 0.00 H new ATOM 0 HG LEU A 52 122.189 19.484 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 52 121.951 20.876 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.774 21.327 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 52 120.253 20.365 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 52 122.741 18.550 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 52 121.075 17.943 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 52 122.143 17.298 3.455 1.00 0.00 H new ATOM 652 N TYR A 53 120.661 16.002 0.120 1.00 0.00 N ATOM 653 CA TYR A 53 121.241 14.665 0.061 1.00 0.00 C ATOM 654 C TYR A 53 122.037 14.486 -1.225 1.00 0.00 C ATOM 655 O TYR A 53 123.259 14.338 -1.199 1.00 0.00 O ATOM 656 CB TYR A 53 120.140 13.605 0.151 1.00 0.00 C ATOM 657 CG TYR A 53 120.453 12.482 1.116 1.00 0.00 C ATOM 658 CD1 TYR A 53 121.033 12.743 2.351 1.00 0.00 C ATOM 659 CD2 TYR A 53 120.167 11.163 0.791 1.00 0.00 C ATOM 660 CE1 TYR A 53 121.320 11.718 3.235 1.00 0.00 C ATOM 661 CE2 TYR A 53 120.449 10.133 1.669 1.00 0.00 C ATOM 662 CZ TYR A 53 121.025 10.416 2.890 1.00 0.00 C ATOM 663 OH TYR A 53 121.307 9.395 3.767 1.00 0.00 O ATOM 0 H TYR A 53 119.852 16.136 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 53 121.916 14.544 0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 53 119.210 14.085 0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 53 119.972 13.184 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 53 121.263 13.762 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 53 119.716 10.938 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 53 121.773 11.937 4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 53 120.220 9.112 1.400 1.00 0.00 H new ATOM 0 HH TYR A 53 120.688 9.435 4.525 1.00 0.00 H new ATOM 673 N SER A 54 121.333 14.502 -2.350 1.00 0.00 N ATOM 674 CA SER A 54 121.965 14.345 -3.656 1.00 0.00 C ATOM 675 C SER A 54 122.772 13.055 -3.721 1.00 0.00 C ATOM 676 O SER A 54 123.937 13.056 -4.117 1.00 0.00 O ATOM 677 CB SER A 54 122.866 15.545 -3.957 1.00 0.00 C ATOM 678 OG SER A 54 122.122 16.750 -3.975 1.00 0.00 O ATOM 0 H SER A 54 120.321 14.622 -2.385 1.00 0.00 H new ATOM 0 HA SER A 54 121.178 14.294 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 123.652 15.611 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 54 123.357 15.403 -4.920 1.00 0.00 H new ATOM 0 HG SER A 54 122.721 17.501 -4.168 1.00 0.00 H new ATOM 684 N LYS A 55 122.143 11.954 -3.324 1.00 0.00 N ATOM 685 CA LYS A 55 122.804 10.654 -3.332 1.00 0.00 C ATOM 686 C LYS A 55 124.029 10.659 -2.421 1.00 0.00 C ATOM 687 O LYS A 55 124.889 9.785 -2.523 1.00 0.00 O ATOM 688 CB LYS A 55 123.215 10.276 -4.757 1.00 0.00 C ATOM 689 CG LYS A 55 122.063 9.766 -5.607 1.00 0.00 C ATOM 690 CD LYS A 55 122.095 8.251 -5.742 1.00 0.00 C ATOM 691 CE LYS A 55 121.132 7.584 -4.773 1.00 0.00 C ATOM 692 NZ LYS A 55 120.456 6.408 -5.385 1.00 0.00 N ATOM 0 H LYS A 55 121.178 11.936 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 55 122.098 9.914 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 55 123.656 11.147 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 55 123.989 9.510 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 55 121.117 10.072 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 55 122.111 10.221 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 55 121.838 7.970 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 55 123.107 7.890 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 55 121.674 7.268 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 55 120.382 8.307 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 119.808 5.981 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 119.918 6.713 -6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 121.169 5.707 -5.670 1.00 0.00 H new ATOM 706 N SER A 56 124.102 11.645 -1.527 1.00 0.00 N ATOM 707 CA SER A 56 125.224 11.748 -0.598 1.00 0.00 C ATOM 708 C SER A 56 125.402 10.442 0.166 1.00 0.00 C ATOM 709 O SER A 56 126.510 9.918 0.277 1.00 0.00 O ATOM 710 CB SER A 56 125.001 12.902 0.380 1.00 0.00 C ATOM 711 OG SER A 56 125.566 14.105 -0.112 1.00 0.00 O ATOM 0 H SER A 56 123.401 12.379 -1.428 1.00 0.00 H new ATOM 0 HA SER A 56 126.130 11.945 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 56 123.933 13.040 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 56 125.445 12.656 1.345 1.00 0.00 H new ATOM 0 HG SER A 56 124.858 14.669 -0.487 1.00 0.00 H new ATOM 717 N THR A 57 124.296 9.918 0.679 1.00 0.00 N ATOM 718 CA THR A 57 124.311 8.666 1.423 1.00 0.00 C ATOM 719 C THR A 57 123.044 7.864 1.154 1.00 0.00 C ATOM 720 O THR A 57 122.679 6.983 1.932 1.00 0.00 O ATOM 721 CB THR A 57 124.453 8.936 2.919 1.00 0.00 C ATOM 722 OG1 THR A 57 125.385 9.977 3.155 1.00 0.00 O ATOM 723 CG2 THR A 57 124.907 7.725 3.706 1.00 0.00 C ATOM 0 H THR A 57 123.373 10.344 0.592 1.00 0.00 H new ATOM 0 HA THR A 57 125.168 8.082 1.088 1.00 0.00 H new ATOM 0 HB THR A 57 123.455 9.215 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 57 125.461 10.136 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 57 124.987 7.986 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 57 124.182 6.920 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 57 125.879 7.396 3.339 1.00 0.00 H new ATOM 731 N ALA A 58 122.387 8.166 0.041 1.00 0.00 N ATOM 732 CA ALA A 58 121.170 7.466 -0.340 1.00 0.00 C ATOM 733 C ALA A 58 121.512 6.092 -0.895 1.00 0.00 C ATOM 734 O ALA A 58 120.885 5.092 -0.548 1.00 0.00 O ATOM 735 CB ALA A 58 120.386 8.275 -1.363 1.00 0.00 C ATOM 0 H ALA A 58 122.678 8.892 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 58 120.546 7.341 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 58 119.479 7.735 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 58 120.119 9.241 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 58 120.998 8.429 -2.252 1.00 0.00 H new ATOM 741 N ALA A 59 122.528 6.054 -1.751 1.00 0.00 N ATOM 742 CA ALA A 59 122.975 4.805 -2.348 1.00 0.00 C ATOM 743 C ALA A 59 123.670 3.929 -1.310 1.00 0.00 C ATOM 744 O ALA A 59 123.702 2.704 -1.438 1.00 0.00 O ATOM 745 CB ALA A 59 123.907 5.081 -3.519 1.00 0.00 C ATOM 0 H ALA A 59 123.056 6.875 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 59 122.100 4.269 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 59 124.233 4.137 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 59 123.381 5.666 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 59 124.776 5.638 -3.169 1.00 0.00 H new ATOM 751 N MET A 60 124.222 4.563 -0.277 1.00 0.00 N ATOM 752 CA MET A 60 124.911 3.838 0.785 1.00 0.00 C ATOM 753 C MET A 60 123.923 3.348 1.842 1.00 0.00 C ATOM 754 O MET A 60 124.222 2.430 2.606 1.00 0.00 O ATOM 755 CB MET A 60 125.972 4.729 1.435 1.00 0.00 C ATOM 756 CG MET A 60 126.940 5.347 0.440 1.00 0.00 C ATOM 757 SD MET A 60 128.228 4.197 -0.080 1.00 0.00 S ATOM 758 CE MET A 60 128.590 4.814 -1.722 1.00 0.00 C ATOM 0 H MET A 60 124.205 5.575 -0.154 1.00 0.00 H new ATOM 0 HA MET A 60 125.398 2.970 0.340 1.00 0.00 H new ATOM 0 HB2 MET A 60 125.476 5.526 1.989 1.00 0.00 H new ATOM 0 HB3 MET A 60 126.535 4.140 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 60 126.387 5.688 -0.435 1.00 0.00 H new ATOM 0 HG3 MET A 60 127.403 6.227 0.887 1.00 0.00 H new ATOM 0 HE1 MET A 60 129.371 4.204 -2.176 1.00 0.00 H new ATOM 0 HE2 MET A 60 127.690 4.767 -2.335 1.00 0.00 H new ATOM 0 HE3 MET A 60 128.930 5.848 -1.656 1.00 0.00 H new ATOM 768 N SER A 61 122.745 3.965 1.878 1.00 0.00 N ATOM 769 CA SER A 61 121.713 3.591 2.838 1.00 0.00 C ATOM 770 C SER A 61 120.363 3.446 2.144 1.00 0.00 C ATOM 771 O SER A 61 119.359 4.001 2.591 1.00 0.00 O ATOM 772 CB SER A 61 121.623 4.635 3.954 1.00 0.00 C ATOM 773 OG SER A 61 122.902 5.154 4.272 1.00 0.00 O ATOM 0 H SER A 61 122.482 4.727 1.253 1.00 0.00 H new ATOM 0 HA SER A 61 121.982 2.630 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 61 120.965 5.447 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 61 121.179 4.185 4.842 1.00 0.00 H new ATOM 0 HG SER A 61 122.817 5.820 4.986 1.00 0.00 H new ATOM 779 N THR A 62 120.349 2.696 1.048 1.00 0.00 N ATOM 780 CA THR A 62 119.129 2.471 0.287 1.00 0.00 C ATOM 781 C THR A 62 118.490 1.140 0.658 1.00 0.00 C ATOM 782 O THR A 62 117.322 0.897 0.354 1.00 0.00 O ATOM 783 CB THR A 62 119.418 2.496 -1.213 1.00 0.00 C ATOM 784 OG1 THR A 62 120.785 2.780 -1.460 1.00 0.00 O ATOM 785 CG2 THR A 62 118.593 3.517 -1.966 1.00 0.00 C ATOM 0 H THR A 62 121.173 2.232 0.666 1.00 0.00 H new ATOM 0 HA THR A 62 118.435 3.275 0.533 1.00 0.00 H new ATOM 0 HB THR A 62 119.152 1.502 -1.572 1.00 0.00 H new ATOM 0 HG1 THR A 62 121.028 3.623 -1.023 1.00 0.00 H new ATOM 0 HG21 THR A 62 118.848 3.481 -3.025 1.00 0.00 H new ATOM 0 HG22 THR A 62 117.534 3.293 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 62 118.802 4.513 -1.576 1.00 0.00 H new ATOM 793 N TYR A 63 119.260 0.281 1.322 1.00 0.00 N ATOM 794 CA TYR A 63 118.766 -1.024 1.739 1.00 0.00 C ATOM 795 C TYR A 63 117.394 -0.899 2.383 1.00 0.00 C ATOM 796 O TYR A 63 116.592 -1.830 2.346 1.00 0.00 O ATOM 797 CB TYR A 63 119.737 -1.671 2.720 1.00 0.00 C ATOM 798 CG TYR A 63 120.718 -2.620 2.069 1.00 0.00 C ATOM 799 CD1 TYR A 63 121.515 -2.207 1.009 1.00 0.00 C ATOM 800 CD2 TYR A 63 120.846 -3.930 2.515 1.00 0.00 C ATOM 801 CE1 TYR A 63 122.413 -3.072 0.412 1.00 0.00 C ATOM 802 CE2 TYR A 63 121.741 -4.801 1.922 1.00 0.00 C ATOM 803 CZ TYR A 63 122.522 -4.366 0.873 1.00 0.00 C ATOM 804 OH TYR A 63 123.414 -5.230 0.280 1.00 0.00 O ATOM 0 H TYR A 63 120.229 0.468 1.582 1.00 0.00 H new ATOM 0 HA TYR A 63 118.682 -1.653 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 63 120.292 -0.888 3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 63 119.169 -2.213 3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 63 121.432 -1.194 0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 63 120.237 -4.273 3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 63 123.026 -2.735 -0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 63 121.828 -5.817 2.279 1.00 0.00 H new ATOM 0 HH TYR A 63 123.368 -6.103 0.724 1.00 0.00 H new ATOM 814 N THR A 64 117.124 0.268 2.962 1.00 0.00 N ATOM 815 CA THR A 64 115.837 0.522 3.598 1.00 0.00 C ATOM 816 C THR A 64 114.696 0.107 2.672 1.00 0.00 C ATOM 817 O THR A 64 113.611 -0.254 3.128 1.00 0.00 O ATOM 818 CB THR A 64 115.705 2.002 3.960 1.00 0.00 C ATOM 819 OG1 THR A 64 116.950 2.527 4.383 1.00 0.00 O ATOM 820 CG2 THR A 64 114.700 2.260 5.062 1.00 0.00 C ATOM 0 H THR A 64 117.778 1.050 3.003 1.00 0.00 H new ATOM 0 HA THR A 64 115.781 -0.070 4.512 1.00 0.00 H new ATOM 0 HB THR A 64 115.358 2.493 3.051 1.00 0.00 H new ATOM 0 HG1 THR A 64 116.846 3.475 4.608 1.00 0.00 H new ATOM 0 HG21 THR A 64 114.655 3.329 5.270 1.00 0.00 H new ATOM 0 HG22 THR A 64 113.717 1.910 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 64 115.003 1.727 5.963 1.00 0.00 H new ATOM 828 N GLY A 65 114.955 0.153 1.366 1.00 0.00 N ATOM 829 CA GLY A 65 113.947 -0.229 0.396 1.00 0.00 C ATOM 830 C GLY A 65 114.035 -1.696 0.016 1.00 0.00 C ATOM 831 O GLY A 65 113.069 -2.270 -0.487 1.00 0.00 O ATOM 0 H GLY A 65 115.845 0.448 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 65 112.958 -0.021 0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 65 114.058 0.383 -0.499 1.00 0.00 H new ATOM 835 N ILE A 66 115.195 -2.307 0.253 1.00 0.00 N ATOM 836 CA ILE A 66 115.396 -3.712 -0.070 1.00 0.00 C ATOM 837 C ILE A 66 115.214 -4.596 1.161 1.00 0.00 C ATOM 838 O ILE A 66 115.051 -5.809 1.040 1.00 0.00 O ATOM 839 CB ILE A 66 116.798 -3.963 -0.652 1.00 0.00 C ATOM 840 CG1 ILE A 66 117.193 -2.838 -1.612 1.00 0.00 C ATOM 841 CG2 ILE A 66 116.846 -5.309 -1.359 1.00 0.00 C ATOM 842 CD1 ILE A 66 118.607 -2.960 -2.138 1.00 0.00 C ATOM 0 H ILE A 66 116.007 -1.849 0.667 1.00 0.00 H new ATOM 0 HA ILE A 66 114.645 -3.968 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 66 117.514 -3.978 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.500 -2.830 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.085 -1.881 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.844 -5.471 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.610 -6.102 -0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 66 116.118 -5.320 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 66 118.818 -2.129 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.309 -2.938 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 66 118.715 -3.901 -2.678 1.00 0.00 H new ATOM 854 N PHE A 67 115.244 -3.984 2.347 1.00 0.00 N ATOM 855 CA PHE A 67 115.080 -4.722 3.601 1.00 0.00 C ATOM 856 C PHE A 67 113.983 -5.779 3.480 1.00 0.00 C ATOM 857 O PHE A 67 114.054 -6.837 4.106 1.00 0.00 O ATOM 858 CB PHE A 67 114.755 -3.757 4.745 1.00 0.00 C ATOM 859 CG PHE A 67 115.856 -3.635 5.759 1.00 0.00 C ATOM 860 CD1 PHE A 67 116.509 -4.763 6.231 1.00 0.00 C ATOM 861 CD2 PHE A 67 116.238 -2.394 6.240 1.00 0.00 C ATOM 862 CE1 PHE A 67 117.522 -4.655 7.164 1.00 0.00 C ATOM 863 CE2 PHE A 67 117.251 -2.278 7.173 1.00 0.00 C ATOM 864 CZ PHE A 67 117.894 -3.410 7.636 1.00 0.00 C ATOM 0 H PHE A 67 115.380 -2.980 2.465 1.00 0.00 H new ATOM 0 HA PHE A 67 116.020 -5.230 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 67 114.544 -2.772 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 67 113.847 -4.093 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 67 116.222 -5.738 5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 67 115.738 -1.506 5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 67 118.023 -5.542 7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 67 117.540 -1.304 7.540 1.00 0.00 H new ATOM 0 HZ PHE A 67 118.686 -3.322 8.365 1.00 0.00 H new ATOM 874 N THR A 68 112.977 -5.486 2.663 1.00 0.00 N ATOM 875 CA THR A 68 111.873 -6.410 2.449 1.00 0.00 C ATOM 876 C THR A 68 112.050 -7.166 1.136 1.00 0.00 C ATOM 877 O THR A 68 111.581 -8.295 0.990 1.00 0.00 O ATOM 878 CB THR A 68 110.540 -5.659 2.445 1.00 0.00 C ATOM 879 OG1 THR A 68 110.371 -4.935 3.652 1.00 0.00 O ATOM 880 CG2 THR A 68 109.341 -6.568 2.283 1.00 0.00 C ATOM 0 H THR A 68 112.905 -4.614 2.138 1.00 0.00 H new ATOM 0 HA THR A 68 111.869 -7.130 3.267 1.00 0.00 H new ATOM 0 HB THR A 68 110.586 -4.991 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 68 109.514 -4.460 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 68 108.429 -5.971 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 68 109.417 -7.106 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 68 109.312 -7.282 3.106 1.00 0.00 H new ATOM 888 N ASP A 69 112.735 -6.540 0.184 1.00 0.00 N ATOM 889 CA ASP A 69 112.980 -7.161 -1.112 1.00 0.00 C ATOM 890 C ASP A 69 113.981 -8.301 -0.976 1.00 0.00 C ATOM 891 O ASP A 69 113.855 -9.334 -1.632 1.00 0.00 O ATOM 892 CB ASP A 69 113.498 -6.124 -2.111 1.00 0.00 C ATOM 893 CG ASP A 69 112.958 -6.350 -3.510 1.00 0.00 C ATOM 894 OD1 ASP A 69 112.922 -7.517 -3.951 1.00 0.00 O ATOM 895 OD2 ASP A 69 112.571 -5.357 -4.163 1.00 0.00 O ATOM 0 H ASP A 69 113.129 -5.605 0.286 1.00 0.00 H new ATOM 0 HA ASP A 69 112.038 -7.565 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 69 113.218 -5.126 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 69 114.587 -6.159 -2.135 1.00 0.00 H new ATOM 900 N GLN A 70 114.972 -8.107 -0.110 1.00 0.00 N ATOM 901 CA GLN A 70 115.992 -9.122 0.121 1.00 0.00 C ATOM 902 C GLN A 70 115.383 -10.353 0.784 1.00 0.00 C ATOM 903 O GLN A 70 115.853 -11.474 0.585 1.00 0.00 O ATOM 904 CB GLN A 70 117.114 -8.558 0.994 1.00 0.00 C ATOM 905 CG GLN A 70 118.256 -7.947 0.199 1.00 0.00 C ATOM 906 CD GLN A 70 119.300 -8.972 -0.200 1.00 0.00 C ATOM 907 OE1 GLN A 70 119.719 -9.798 0.611 1.00 0.00 O ATOM 908 NE2 GLN A 70 119.728 -8.923 -1.457 1.00 0.00 N ATOM 0 H GLN A 70 115.089 -7.257 0.442 1.00 0.00 H new ATOM 0 HA GLN A 70 116.408 -9.416 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 70 116.699 -7.800 1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 70 117.507 -9.355 1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 70 117.857 -7.472 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 70 118.729 -7.164 0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 70 119.354 -8.222 -2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 70 120.431 -9.587 -1.783 1.00 0.00 H new ATOM 917 N VAL A 71 114.333 -10.137 1.570 1.00 0.00 N ATOM 918 CA VAL A 71 113.657 -11.226 2.260 1.00 0.00 C ATOM 919 C VAL A 71 112.608 -11.871 1.360 1.00 0.00 C ATOM 920 O VAL A 71 112.474 -13.093 1.321 1.00 0.00 O ATOM 921 CB VAL A 71 112.983 -10.725 3.552 1.00 0.00 C ATOM 922 CG1 VAL A 71 112.225 -11.848 4.243 1.00 0.00 C ATOM 923 CG2 VAL A 71 114.017 -10.117 4.489 1.00 0.00 C ATOM 0 H VAL A 71 113.932 -9.215 1.744 1.00 0.00 H new ATOM 0 HA VAL A 71 114.412 -11.969 2.518 1.00 0.00 H new ATOM 0 HB VAL A 71 112.263 -9.952 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 71 111.759 -11.467 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 71 111.455 -12.233 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 71 112.917 -12.650 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 71 113.525 -9.768 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 71 114.762 -10.870 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 71 114.506 -9.277 3.996 1.00 0.00 H new ATOM 933 N LEU A 72 111.870 -11.037 0.634 1.00 0.00 N ATOM 934 CA LEU A 72 110.835 -11.524 -0.270 1.00 0.00 C ATOM 935 C LEU A 72 111.431 -12.435 -1.339 1.00 0.00 C ATOM 936 O LEU A 72 110.760 -13.332 -1.850 1.00 0.00 O ATOM 937 CB LEU A 72 110.111 -10.348 -0.932 1.00 0.00 C ATOM 938 CG LEU A 72 108.652 -10.615 -1.307 1.00 0.00 C ATOM 939 CD1 LEU A 72 107.935 -9.310 -1.617 1.00 0.00 C ATOM 940 CD2 LEU A 72 108.574 -11.563 -2.494 1.00 0.00 C ATOM 0 H LEU A 72 111.970 -10.022 0.654 1.00 0.00 H new ATOM 0 HA LEU A 72 110.118 -12.100 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 72 110.146 -9.493 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 72 110.656 -10.066 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 72 108.157 -11.085 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 72 106.898 -9.518 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 72 107.963 -8.663 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 72 108.430 -8.812 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 72 107.529 -11.743 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 72 109.084 -11.119 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 72 109.053 -12.508 -2.237 1.00 0.00 H new ATOM 952 N SER A 73 112.698 -12.201 -1.669 1.00 0.00 N ATOM 953 CA SER A 73 113.387 -13.003 -2.673 1.00 0.00 C ATOM 954 C SER A 73 113.808 -14.350 -2.097 1.00 0.00 C ATOM 955 O SER A 73 114.026 -15.311 -2.835 1.00 0.00 O ATOM 956 CB SER A 73 114.612 -12.255 -3.200 1.00 0.00 C ATOM 957 OG SER A 73 114.232 -11.163 -4.019 1.00 0.00 O ATOM 0 H SER A 73 113.267 -11.463 -1.256 1.00 0.00 H new ATOM 0 HA SER A 73 112.696 -13.181 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 73 115.209 -11.894 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 73 115.242 -12.939 -3.770 1.00 0.00 H new ATOM 0 HG SER A 73 114.069 -10.375 -3.459 1.00 0.00 H new ATOM 963 N VAL A 74 113.917 -14.416 -0.772 1.00 0.00 N ATOM 964 CA VAL A 74 114.308 -15.648 -0.098 1.00 0.00 C ATOM 965 C VAL A 74 113.334 -16.774 -0.424 1.00 0.00 C ATOM 966 O VAL A 74 113.716 -17.942 -0.476 1.00 0.00 O ATOM 967 CB VAL A 74 114.376 -15.452 1.429 1.00 0.00 C ATOM 968 CG1 VAL A 74 114.732 -16.756 2.129 1.00 0.00 C ATOM 969 CG2 VAL A 74 115.381 -14.365 1.776 1.00 0.00 C ATOM 0 H VAL A 74 113.740 -13.631 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 74 115.301 -15.917 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 74 113.392 -15.141 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 74 114.774 -16.591 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 74 113.974 -17.507 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 74 115.703 -17.104 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 74 115.419 -14.237 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 74 116.367 -14.651 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 74 115.078 -13.427 1.310 1.00 0.00 H new ATOM 979 N LEU A 75 112.075 -16.412 -0.658 1.00 0.00 N ATOM 980 CA LEU A 75 111.051 -17.392 -0.995 1.00 0.00 C ATOM 981 C LEU A 75 111.480 -18.216 -2.206 1.00 0.00 C ATOM 982 O LEU A 75 111.029 -19.346 -2.394 1.00 0.00 O ATOM 983 CB LEU A 75 109.720 -16.694 -1.282 1.00 0.00 C ATOM 984 CG LEU A 75 108.503 -17.619 -1.340 1.00 0.00 C ATOM 985 CD1 LEU A 75 107.249 -16.878 -0.902 1.00 0.00 C ATOM 986 CD2 LEU A 75 108.329 -18.182 -2.743 1.00 0.00 C ATOM 0 H LEU A 75 111.742 -15.449 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 75 110.922 -18.061 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 75 109.549 -15.941 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 75 109.802 -16.166 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 75 108.668 -18.450 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 75 106.393 -17.551 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 75 107.375 -16.523 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 75 107.079 -16.028 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 75 107.459 -18.838 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 75 108.186 -17.363 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 75 109.218 -18.749 -3.021 1.00 0.00 H new ATOM 998 N LYS A 76 112.363 -17.641 -3.020 1.00 0.00 N ATOM 999 CA LYS A 76 112.864 -18.320 -4.208 1.00 0.00 C ATOM 1000 C LYS A 76 114.070 -17.585 -4.777 1.00 0.00 C ATOM 1001 O LYS A 76 113.960 -16.453 -5.249 1.00 0.00 O ATOM 1002 CB LYS A 76 111.766 -18.431 -5.267 1.00 0.00 C ATOM 1003 CG LYS A 76 111.854 -19.698 -6.103 1.00 0.00 C ATOM 1004 CD LYS A 76 112.990 -19.623 -7.110 1.00 0.00 C ATOM 1005 CE LYS A 76 112.651 -20.372 -8.388 1.00 0.00 C ATOM 1006 NZ LYS A 76 111.524 -19.736 -9.124 1.00 0.00 N ATOM 0 H LYS A 76 112.745 -16.706 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 76 113.173 -19.325 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 76 110.794 -18.397 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 76 111.820 -17.565 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.002 -20.557 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.911 -19.855 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 76 113.202 -18.580 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 76 113.895 -20.042 -6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.530 -20.408 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 76 112.391 -21.402 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 111.607 -19.950 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 110.621 -20.107 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 111.555 -18.706 -8.984 1.00 0.00 H new ATOM 1020 N GLY A 77 115.224 -18.235 -4.712 1.00 0.00 N ATOM 1021 CA GLY A 77 116.446 -17.636 -5.206 1.00 0.00 C ATOM 1022 C GLY A 77 117.407 -17.301 -4.082 1.00 0.00 C ATOM 1023 O GLY A 77 118.548 -16.911 -4.327 1.00 0.00 O ATOM 0 H GLY A 77 115.335 -19.172 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 77 116.929 -18.320 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 77 116.207 -16.729 -5.761 1.00 0.00 H new ATOM 1027 N GLU A 78 116.942 -17.459 -2.841 1.00 0.00 N ATOM 1028 CA GLU A 78 117.758 -17.180 -1.666 1.00 0.00 C ATOM 1029 C GLU A 78 118.522 -15.869 -1.818 1.00 0.00 C ATOM 1030 O GLU A 78 119.622 -15.713 -1.288 1.00 0.00 O ATOM 1031 CB GLU A 78 118.727 -18.333 -1.426 1.00 0.00 C ATOM 1032 CG GLU A 78 119.525 -18.205 -0.139 1.00 0.00 C ATOM 1033 CD GLU A 78 119.711 -19.534 0.567 1.00 0.00 C ATOM 1034 OE1 GLU A 78 120.166 -20.496 -0.089 1.00 0.00 O ATOM 1035 OE2 GLU A 78 119.401 -19.614 1.774 1.00 0.00 O ATOM 0 H GLU A 78 115.998 -17.781 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 78 117.096 -17.079 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 78 118.167 -19.268 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 78 119.418 -18.396 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 78 120.502 -17.777 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 78 119.018 -17.510 0.531 1.00 0.00 H new ATOM 1042 N GLU A 79 117.929 -14.930 -2.546 1.00 0.00 N ATOM 1043 CA GLU A 79 118.550 -13.629 -2.771 1.00 0.00 C ATOM 1044 C GLU A 79 118.318 -12.703 -1.582 1.00 0.00 C ATOM 1045 O GLU A 79 119.299 -12.393 -0.874 1.00 0.00 O ATOM 1046 CB GLU A 79 117.998 -12.991 -4.046 1.00 0.00 C ATOM 1047 CG GLU A 79 119.008 -12.120 -4.777 1.00 0.00 C ATOM 1048 CD GLU A 79 119.549 -12.781 -6.030 1.00 0.00 C ATOM 1049 OE1 GLU A 79 119.673 -14.024 -6.039 1.00 0.00 O ATOM 1050 OE2 GLU A 79 119.849 -12.055 -7.001 1.00 0.00 O ATOM 1051 OXT GLU A 79 117.157 -12.293 -1.370 1.00 0.00 O ATOM 0 H GLU A 79 117.018 -15.045 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 79 119.623 -13.781 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 79 117.656 -13.778 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 79 117.126 -12.388 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 79 118.540 -11.173 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 79 119.836 -11.889 -4.106 1.00 0.00 H new TER 1058 GLU A 79