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= 0.666 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00105 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= -0.0159 (180deg=-0.0582) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 89:sc= 1.25 USER MOD Single : A 24 SER OG : rot 115: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 57:sc= 1.06 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -52:sc= 0.55 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0361 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -1.53 USER MOD Single : A 57 THR OG1 : rot -48:sc= 0.489 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -59:sc= -0.386 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.521 K(o=-0.52,f=-4.7!) USER MOD Single : A 73 SER OG : rot -103:sc= 1.25 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 89.683 3.110 23.350 1.00 0.00 N ATOM 2 CA THR A 13 89.866 2.078 22.296 1.00 0.00 C ATOM 3 C THR A 13 91.326 1.650 22.187 1.00 0.00 C ATOM 4 O THR A 13 91.716 0.606 22.710 1.00 0.00 O ATOM 5 CB THR A 13 89.375 2.650 20.964 1.00 0.00 C ATOM 6 OG1 THR A 13 89.907 3.945 20.748 1.00 0.00 O ATOM 7 CG2 THR A 13 87.867 2.751 20.874 1.00 0.00 C ATOM 0 HA THR A 13 89.288 1.192 22.558 1.00 0.00 H new ATOM 0 HB THR A 13 89.721 1.949 20.204 1.00 0.00 H new ATOM 0 HG1 THR A 13 90.106 4.365 21.611 1.00 0.00 H new ATOM 0 HG21 THR A 13 87.587 3.164 19.905 1.00 0.00 H new ATOM 0 HG22 THR A 13 87.429 1.759 20.986 1.00 0.00 H new ATOM 0 HG23 THR A 13 87.498 3.403 21.666 1.00 0.00 H new ATOM 15 N PHE A 14 92.126 2.462 21.498 1.00 0.00 N ATOM 16 CA PHE A 14 93.551 2.184 21.302 1.00 0.00 C ATOM 17 C PHE A 14 93.762 1.219 20.139 1.00 0.00 C ATOM 18 O PHE A 14 94.640 1.426 19.302 1.00 0.00 O ATOM 19 CB PHE A 14 94.183 1.620 22.580 1.00 0.00 C ATOM 20 CG PHE A 14 95.507 2.242 22.920 1.00 0.00 C ATOM 21 CD1 PHE A 14 95.571 3.530 23.429 1.00 0.00 C ATOM 22 CD2 PHE A 14 96.687 1.541 22.731 1.00 0.00 C ATOM 23 CE1 PHE A 14 96.788 4.105 23.743 1.00 0.00 C ATOM 24 CE2 PHE A 14 97.906 2.111 23.044 1.00 0.00 C ATOM 25 CZ PHE A 14 97.956 3.395 23.550 1.00 0.00 C ATOM 0 H PHE A 14 91.808 3.327 21.061 1.00 0.00 H new ATOM 0 HA PHE A 14 94.042 3.127 21.063 1.00 0.00 H new ATOM 0 HB2 PHE A 14 93.496 1.771 23.412 1.00 0.00 H new ATOM 0 HB3 PHE A 14 94.315 0.544 22.466 1.00 0.00 H new ATOM 0 HD1 PHE A 14 94.660 4.090 23.582 1.00 0.00 H new ATOM 0 HD2 PHE A 14 96.654 0.537 22.334 1.00 0.00 H new ATOM 0 HE1 PHE A 14 96.825 5.109 24.139 1.00 0.00 H new ATOM 0 HE2 PHE A 14 98.818 1.553 22.893 1.00 0.00 H new ATOM 0 HZ PHE A 14 98.908 3.843 23.794 1.00 0.00 H new ATOM 35 N LEU A 15 92.950 0.170 20.090 1.00 0.00 N ATOM 36 CA LEU A 15 93.046 -0.818 19.025 1.00 0.00 C ATOM 37 C LEU A 15 92.342 -0.317 17.771 1.00 0.00 C ATOM 38 O LEU A 15 92.761 -0.608 16.650 1.00 0.00 O ATOM 39 CB LEU A 15 92.434 -2.148 19.472 1.00 0.00 C ATOM 40 CG LEU A 15 91.012 -2.051 20.028 1.00 0.00 C ATOM 41 CD1 LEU A 15 90.177 -3.238 19.574 1.00 0.00 C ATOM 42 CD2 LEU A 15 91.038 -1.968 21.548 1.00 0.00 C ATOM 0 H LEU A 15 92.218 -0.018 20.775 1.00 0.00 H new ATOM 0 HA LEU A 15 94.100 -0.976 18.798 1.00 0.00 H new ATOM 0 HB2 LEU A 15 92.430 -2.832 18.624 1.00 0.00 H new ATOM 0 HB3 LEU A 15 93.077 -2.589 20.234 1.00 0.00 H new ATOM 0 HG LEU A 15 90.554 -1.141 19.640 1.00 0.00 H new ATOM 0 HD11 LEU A 15 89.169 -3.150 19.980 1.00 0.00 H new ATOM 0 HD12 LEU A 15 90.130 -3.254 18.485 1.00 0.00 H new ATOM 0 HD13 LEU A 15 90.633 -4.161 19.931 1.00 0.00 H new ATOM 0 HD21 LEU A 15 90.018 -1.900 21.926 1.00 0.00 H new ATOM 0 HD22 LEU A 15 91.516 -2.860 21.953 1.00 0.00 H new ATOM 0 HD23 LEU A 15 91.599 -1.085 21.855 1.00 0.00 H new ATOM 54 N THR A 16 91.273 0.449 17.969 1.00 0.00 N ATOM 55 CA THR A 16 90.514 1.002 16.856 1.00 0.00 C ATOM 56 C THR A 16 91.300 2.108 16.167 1.00 0.00 C ATOM 57 O THR A 16 91.118 2.361 14.976 1.00 0.00 O ATOM 58 CB THR A 16 89.167 1.539 17.344 1.00 0.00 C ATOM 59 OG1 THR A 16 88.592 0.662 18.296 1.00 0.00 O ATOM 60 CG2 THR A 16 88.160 1.731 16.231 1.00 0.00 C ATOM 0 H THR A 16 90.914 0.700 18.890 1.00 0.00 H new ATOM 0 HA THR A 16 90.334 0.204 16.135 1.00 0.00 H new ATOM 0 HB THR A 16 89.387 2.511 17.785 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.732 1.024 18.597 1.00 0.00 H new ATOM 0 HG21 THR A 16 87.228 2.114 16.646 1.00 0.00 H new ATOM 0 HG22 THR A 16 88.552 2.442 15.504 1.00 0.00 H new ATOM 0 HG23 THR A 16 87.974 0.776 15.740 1.00 0.00 H new ATOM 68 N GLN A 17 92.182 2.763 16.916 1.00 0.00 N ATOM 69 CA GLN A 17 92.995 3.833 16.360 1.00 0.00 C ATOM 70 C GLN A 17 93.895 3.288 15.254 1.00 0.00 C ATOM 71 O GLN A 17 93.916 3.816 14.142 1.00 0.00 O ATOM 72 CB GLN A 17 93.824 4.508 17.465 1.00 0.00 C ATOM 73 CG GLN A 17 95.297 4.116 17.481 1.00 0.00 C ATOM 74 CD GLN A 17 96.144 5.066 18.304 1.00 0.00 C ATOM 75 OE1 GLN A 17 95.644 5.747 19.199 1.00 0.00 O ATOM 76 NE2 GLN A 17 97.437 5.115 18.006 1.00 0.00 N ATOM 0 H GLN A 17 92.350 2.571 17.904 1.00 0.00 H new ATOM 0 HA GLN A 17 92.338 4.587 15.926 1.00 0.00 H new ATOM 0 HB2 GLN A 17 93.750 5.589 17.347 1.00 0.00 H new ATOM 0 HB3 GLN A 17 93.385 4.262 18.432 1.00 0.00 H new ATOM 0 HG2 GLN A 17 95.396 3.107 17.881 1.00 0.00 H new ATOM 0 HG3 GLN A 17 95.674 4.092 16.459 1.00 0.00 H new ATOM 0 HE21 GLN A 17 97.810 4.533 17.256 1.00 0.00 H new ATOM 0 HE22 GLN A 17 98.057 5.735 18.527 1.00 0.00 H new ATOM 85 N VAL A 18 94.632 2.221 15.564 1.00 0.00 N ATOM 86 CA VAL A 18 95.520 1.608 14.585 1.00 0.00 C ATOM 87 C VAL A 18 94.710 1.102 13.408 1.00 0.00 C ATOM 88 O VAL A 18 95.148 1.172 12.263 1.00 0.00 O ATOM 89 CB VAL A 18 96.332 0.434 15.168 1.00 0.00 C ATOM 90 CG1 VAL A 18 97.620 0.240 14.384 1.00 0.00 C ATOM 91 CG2 VAL A 18 96.632 0.648 16.646 1.00 0.00 C ATOM 0 H VAL A 18 94.630 1.769 16.478 1.00 0.00 H new ATOM 0 HA VAL A 18 96.225 2.378 14.273 1.00 0.00 H new ATOM 0 HB VAL A 18 95.728 -0.469 15.079 1.00 0.00 H new ATOM 0 HG11 VAL A 18 98.182 -0.592 14.808 1.00 0.00 H new ATOM 0 HG12 VAL A 18 97.383 0.025 13.342 1.00 0.00 H new ATOM 0 HG13 VAL A 18 98.220 1.148 14.439 1.00 0.00 H new ATOM 0 HG21 VAL A 18 97.205 -0.197 17.027 1.00 0.00 H new ATOM 0 HG22 VAL A 18 97.209 1.564 16.771 1.00 0.00 H new ATOM 0 HG23 VAL A 18 95.696 0.730 17.199 1.00 0.00 H new ATOM 101 N LYS A 19 93.509 0.611 13.698 1.00 0.00 N ATOM 102 CA LYS A 19 92.625 0.115 12.656 1.00 0.00 C ATOM 103 C LYS A 19 92.390 1.204 11.618 1.00 0.00 C ATOM 104 O LYS A 19 92.112 0.918 10.454 1.00 0.00 O ATOM 105 CB LYS A 19 91.292 -0.344 13.252 1.00 0.00 C ATOM 106 CG LYS A 19 91.277 -1.810 13.653 1.00 0.00 C ATOM 107 CD LYS A 19 90.084 -2.541 13.055 1.00 0.00 C ATOM 108 CE LYS A 19 90.402 -3.084 11.671 1.00 0.00 C ATOM 109 NZ LYS A 19 91.280 -4.286 11.733 1.00 0.00 N ATOM 0 H LYS A 19 93.129 0.547 14.643 1.00 0.00 H new ATOM 0 HA LYS A 19 93.097 -0.742 12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 91.066 0.266 14.127 1.00 0.00 H new ATOM 0 HB3 LYS A 19 90.499 -0.166 12.526 1.00 0.00 H new ATOM 0 HG2 LYS A 19 92.200 -2.288 13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 19 91.247 -1.891 14.740 1.00 0.00 H new ATOM 0 HD2 LYS A 19 89.792 -3.361 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 19 89.233 -1.863 12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 19 89.474 -3.339 11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 19 90.890 -2.309 11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 91.363 -4.705 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 92.223 -4.010 12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 90.868 -4.984 12.385 1.00 0.00 H new ATOM 123 N GLU A 20 92.526 2.456 12.047 1.00 0.00 N ATOM 124 CA GLU A 20 92.351 3.588 11.147 1.00 0.00 C ATOM 125 C GLU A 20 93.605 3.786 10.299 1.00 0.00 C ATOM 126 O GLU A 20 93.560 4.411 9.240 1.00 0.00 O ATOM 127 CB GLU A 20 92.050 4.860 11.943 1.00 0.00 C ATOM 128 CG GLU A 20 90.837 4.737 12.850 1.00 0.00 C ATOM 129 CD GLU A 20 89.539 5.054 12.134 1.00 0.00 C ATOM 130 OE1 GLU A 20 89.110 4.238 11.292 1.00 0.00 O ATOM 131 OE2 GLU A 20 88.950 6.120 12.417 1.00 0.00 O ATOM 0 H GLU A 20 92.756 2.710 13.008 1.00 0.00 H new ATOM 0 HA GLU A 20 91.508 3.380 10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 20 92.921 5.115 12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 20 91.892 5.685 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 20 90.789 3.724 13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 20 90.953 5.411 13.699 1.00 0.00 H new ATOM 138 N SER A 21 94.722 3.243 10.776 1.00 0.00 N ATOM 139 CA SER A 21 95.993 3.348 10.079 1.00 0.00 C ATOM 140 C SER A 21 96.291 2.073 9.296 1.00 0.00 C ATOM 141 O SER A 21 96.547 2.121 8.093 1.00 0.00 O ATOM 142 CB SER A 21 97.111 3.605 11.078 1.00 0.00 C ATOM 143 OG SER A 21 97.717 4.867 10.857 1.00 0.00 O ATOM 0 H SER A 21 94.768 2.722 11.651 1.00 0.00 H new ATOM 0 HA SER A 21 95.930 4.180 9.378 1.00 0.00 H new ATOM 0 HB2 SER A 21 96.713 3.563 12.092 1.00 0.00 H new ATOM 0 HB3 SER A 21 97.862 2.819 10.997 1.00 0.00 H new ATOM 0 HG SER A 21 98.431 5.007 11.514 1.00 0.00 H new ATOM 149 N LEU A 22 96.252 0.930 9.982 1.00 0.00 N ATOM 150 CA LEU A 22 96.516 -0.348 9.331 1.00 0.00 C ATOM 151 C LEU A 22 95.526 -0.580 8.195 1.00 0.00 C ATOM 152 O LEU A 22 95.770 -1.385 7.297 1.00 0.00 O ATOM 153 CB LEU A 22 96.438 -1.493 10.342 1.00 0.00 C ATOM 154 CG LEU A 22 95.043 -1.764 10.906 1.00 0.00 C ATOM 155 CD1 LEU A 22 94.346 -2.852 10.106 1.00 0.00 C ATOM 156 CD2 LEU A 22 95.128 -2.149 12.375 1.00 0.00 C ATOM 0 H LEU A 22 96.042 0.865 10.978 1.00 0.00 H new ATOM 0 HA LEU A 22 97.524 -0.320 8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 22 96.804 -2.403 9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 22 97.112 -1.273 11.170 1.00 0.00 H new ATOM 0 HG LEU A 22 94.455 -0.850 10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 22 93.355 -3.031 10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 22 94.252 -2.536 9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 22 94.931 -3.770 10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 22 94.126 -2.338 12.760 1.00 0.00 H new ATOM 0 HD22 LEU A 22 95.733 -3.049 12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 22 95.586 -1.336 12.938 1.00 0.00 H new ATOM 168 N SER A 23 94.411 0.141 8.241 1.00 0.00 N ATOM 169 CA SER A 23 93.383 0.029 7.215 1.00 0.00 C ATOM 170 C SER A 23 93.416 1.231 6.274 1.00 0.00 C ATOM 171 O SER A 23 92.816 1.201 5.200 1.00 0.00 O ATOM 172 CB SER A 23 92.000 -0.090 7.860 1.00 0.00 C ATOM 173 OG SER A 23 92.009 -1.034 8.916 1.00 0.00 O ATOM 0 H SER A 23 94.197 0.810 8.980 1.00 0.00 H new ATOM 0 HA SER A 23 93.584 -0.870 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 23 91.688 0.883 8.240 1.00 0.00 H new ATOM 0 HB3 SER A 23 91.269 -0.388 7.108 1.00 0.00 H new ATOM 0 HG SER A 23 92.242 -0.584 9.755 1.00 0.00 H new ATOM 179 N SER A 24 94.122 2.288 6.676 1.00 0.00 N ATOM 180 CA SER A 24 94.222 3.487 5.852 1.00 0.00 C ATOM 181 C SER A 24 95.111 3.249 4.635 1.00 0.00 C ATOM 182 O SER A 24 95.143 4.061 3.710 1.00 0.00 O ATOM 183 CB SER A 24 94.757 4.661 6.674 1.00 0.00 C ATOM 184 OG SER A 24 93.714 5.550 7.036 1.00 0.00 O ATOM 0 H SER A 24 94.628 2.336 7.560 1.00 0.00 H new ATOM 0 HA SER A 24 93.220 3.731 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 24 95.247 4.286 7.572 1.00 0.00 H new ATOM 0 HB3 SER A 24 95.512 5.197 6.099 1.00 0.00 H new ATOM 0 HG SER A 24 93.600 5.541 8.009 1.00 0.00 H new ATOM 190 N TYR A 25 95.817 2.125 4.632 1.00 0.00 N ATOM 191 CA TYR A 25 96.689 1.775 3.519 1.00 0.00 C ATOM 192 C TYR A 25 96.028 0.713 2.650 1.00 0.00 C ATOM 193 O TYR A 25 96.441 0.477 1.515 1.00 0.00 O ATOM 194 CB TYR A 25 98.040 1.275 4.030 1.00 0.00 C ATOM 195 CG TYR A 25 98.999 2.386 4.394 1.00 0.00 C ATOM 196 CD1 TYR A 25 99.027 2.912 5.681 1.00 0.00 C ATOM 197 CD2 TYR A 25 99.876 2.911 3.453 1.00 0.00 C ATOM 198 CE1 TYR A 25 99.902 3.926 6.018 1.00 0.00 C ATOM 199 CE2 TYR A 25 100.753 3.926 3.782 1.00 0.00 C ATOM 200 CZ TYR A 25 100.763 4.431 5.066 1.00 0.00 C ATOM 201 OH TYR A 25 101.634 5.443 5.397 1.00 0.00 O ATOM 0 H TYR A 25 95.802 1.441 5.388 1.00 0.00 H new ATOM 0 HA TYR A 25 96.858 2.668 2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 25 97.878 0.646 4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 25 98.498 0.647 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 25 98.353 2.521 6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 25 99.872 2.519 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 25 99.912 4.322 7.023 1.00 0.00 H new ATOM 0 HE2 TYR A 25 101.428 4.323 3.038 1.00 0.00 H new ATOM 0 HH TYR A 25 102.171 5.682 4.613 1.00 0.00 H new ATOM 211 N TRP A 26 94.981 0.093 3.185 1.00 0.00 N ATOM 212 CA TRP A 26 94.243 -0.923 2.454 1.00 0.00 C ATOM 213 C TRP A 26 93.100 -0.267 1.694 1.00 0.00 C ATOM 214 O TRP A 26 92.693 -0.733 0.629 1.00 0.00 O ATOM 215 CB TRP A 26 93.703 -1.991 3.407 1.00 0.00 C ATOM 216 CG TRP A 26 92.938 -3.076 2.714 1.00 0.00 C ATOM 217 CD1 TRP A 26 91.583 -3.159 2.567 1.00 0.00 C ATOM 218 CD2 TRP A 26 93.483 -4.235 2.073 1.00 0.00 C ATOM 219 NE1 TRP A 26 91.253 -4.297 1.874 1.00 0.00 N ATOM 220 CE2 TRP A 26 92.400 -4.974 1.559 1.00 0.00 C ATOM 221 CE3 TRP A 26 94.780 -4.718 1.881 1.00 0.00 C ATOM 222 CZ2 TRP A 26 92.577 -6.171 0.868 1.00 0.00 C ATOM 223 CZ3 TRP A 26 94.955 -5.906 1.195 1.00 0.00 C ATOM 224 CH2 TRP A 26 93.858 -6.620 0.695 1.00 0.00 C ATOM 0 H TRP A 26 94.627 0.279 4.123 1.00 0.00 H new ATOM 0 HA TRP A 26 94.915 -1.410 1.748 1.00 0.00 H new ATOM 0 HB2 TRP A 26 94.536 -2.435 3.952 1.00 0.00 H new ATOM 0 HB3 TRP A 26 93.057 -1.515 4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 26 90.874 -2.435 2.941 1.00 0.00 H new ATOM 0 HE1 TRP A 26 90.306 -4.591 1.633 1.00 0.00 H new ATOM 0 HE3 TRP A 26 95.631 -4.173 2.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 91.733 -6.725 0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 95.953 -6.289 1.042 1.00 0.00 H new ATOM 0 HH2 TRP A 26 94.027 -7.544 0.162 1.00 0.00 H new ATOM 235 N GLU A 27 92.601 0.834 2.247 1.00 0.00 N ATOM 236 CA GLU A 27 91.520 1.579 1.622 1.00 0.00 C ATOM 237 C GLU A 27 92.075 2.550 0.586 1.00 0.00 C ATOM 238 O GLU A 27 91.364 2.982 -0.321 1.00 0.00 O ATOM 239 CB GLU A 27 90.711 2.337 2.675 1.00 0.00 C ATOM 240 CG GLU A 27 91.552 3.262 3.539 1.00 0.00 C ATOM 241 CD GLU A 27 91.070 4.700 3.500 1.00 0.00 C ATOM 242 OE1 GLU A 27 89.990 4.979 4.063 1.00 0.00 O ATOM 243 OE2 GLU A 27 91.771 5.546 2.907 1.00 0.00 O ATOM 0 H GLU A 27 92.930 1.228 3.128 1.00 0.00 H new ATOM 0 HA GLU A 27 90.860 0.871 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 27 89.939 2.922 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 27 90.201 1.618 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 27 91.535 2.905 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 27 92.589 3.222 3.205 1.00 0.00 H new ATOM 250 N SER A 28 93.356 2.881 0.723 1.00 0.00 N ATOM 251 CA SER A 28 94.013 3.788 -0.204 1.00 0.00 C ATOM 252 C SER A 28 94.409 3.047 -1.468 1.00 0.00 C ATOM 253 O SER A 28 94.199 3.530 -2.581 1.00 0.00 O ATOM 254 CB SER A 28 95.247 4.402 0.450 1.00 0.00 C ATOM 255 OG SER A 28 95.575 5.648 -0.138 1.00 0.00 O ATOM 0 H SER A 28 93.958 2.532 1.469 1.00 0.00 H new ATOM 0 HA SER A 28 93.318 4.586 -0.467 1.00 0.00 H new ATOM 0 HB2 SER A 28 95.067 4.537 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 28 96.091 3.719 0.353 1.00 0.00 H new ATOM 0 HG SER A 28 96.368 6.019 0.302 1.00 0.00 H new ATOM 261 N ALA A 29 94.971 1.860 -1.284 1.00 0.00 N ATOM 262 CA ALA A 29 95.386 1.032 -2.409 1.00 0.00 C ATOM 263 C ALA A 29 94.243 0.885 -3.406 1.00 0.00 C ATOM 264 O ALA A 29 94.463 0.755 -4.610 1.00 0.00 O ATOM 265 CB ALA A 29 95.849 -0.333 -1.922 1.00 0.00 C ATOM 0 H ALA A 29 95.150 1.449 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 29 96.222 1.519 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 29 96.155 -0.939 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 29 96.692 -0.210 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 29 95.031 -0.829 -1.399 1.00 0.00 H new ATOM 271 N LYS A 30 93.017 0.925 -2.890 1.00 0.00 N ATOM 272 CA LYS A 30 91.831 0.815 -3.726 1.00 0.00 C ATOM 273 C LYS A 30 91.404 2.192 -4.223 1.00 0.00 C ATOM 274 O LYS A 30 90.815 2.320 -5.297 1.00 0.00 O ATOM 275 CB LYS A 30 90.689 0.162 -2.946 1.00 0.00 C ATOM 276 CG LYS A 30 89.829 -0.766 -3.788 1.00 0.00 C ATOM 277 CD LYS A 30 88.561 -1.170 -3.055 1.00 0.00 C ATOM 278 CE LYS A 30 88.027 -2.501 -3.556 1.00 0.00 C ATOM 279 NZ LYS A 30 87.320 -2.360 -4.859 1.00 0.00 N ATOM 0 H LYS A 30 92.822 1.033 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 30 92.071 0.190 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 30 91.106 -0.401 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 30 90.058 0.942 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 30 89.568 -0.272 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 30 90.400 -1.657 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 30 88.763 -1.237 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 30 87.802 -0.399 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 30 88.852 -3.205 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 30 87.345 -2.920 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 86.971 -3.290 -5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 86.518 -1.708 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 87.977 -1.984 -5.572 1.00 0.00 H new ATOM 293 N THR A 31 91.712 3.223 -3.438 1.00 0.00 N ATOM 294 CA THR A 31 91.365 4.590 -3.805 1.00 0.00 C ATOM 295 C THR A 31 92.253 5.085 -4.942 1.00 0.00 C ATOM 296 O THR A 31 91.834 5.905 -5.758 1.00 0.00 O ATOM 297 CB THR A 31 91.500 5.517 -2.595 1.00 0.00 C ATOM 298 OG1 THR A 31 90.696 5.061 -1.522 1.00 0.00 O ATOM 299 CG2 THR A 31 91.106 6.948 -2.890 1.00 0.00 C ATOM 0 H THR A 31 92.200 3.136 -2.547 1.00 0.00 H new ATOM 0 HA THR A 31 90.329 4.599 -4.144 1.00 0.00 H new ATOM 0 HB THR A 31 92.558 5.496 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 31 90.941 4.139 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 31 91.225 7.551 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 31 91.743 7.345 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 31 90.065 6.980 -3.213 1.00 0.00 H new ATOM 307 N ALA A 32 93.482 4.579 -4.990 1.00 0.00 N ATOM 308 CA ALA A 32 94.428 4.967 -6.028 1.00 0.00 C ATOM 309 C ALA A 32 94.731 3.801 -6.964 1.00 0.00 C ATOM 310 O ALA A 32 95.752 3.795 -7.653 1.00 0.00 O ATOM 311 CB ALA A 32 95.712 5.492 -5.403 1.00 0.00 C ATOM 0 H ALA A 32 93.845 3.899 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 32 93.972 5.762 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 32 96.409 5.778 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 32 95.487 6.361 -4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 32 96.161 4.714 -4.786 1.00 0.00 H new ATOM 317 N ALA A 33 93.837 2.816 -6.991 1.00 0.00 N ATOM 318 CA ALA A 33 94.011 1.650 -7.848 1.00 0.00 C ATOM 319 C ALA A 33 93.342 1.868 -9.198 1.00 0.00 C ATOM 320 O ALA A 33 93.978 1.744 -10.244 1.00 0.00 O ATOM 321 CB ALA A 33 93.454 0.407 -7.171 1.00 0.00 C ATOM 0 H ALA A 33 92.986 2.803 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 33 95.078 1.505 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 33 93.591 -0.455 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 33 93.980 0.238 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 33 92.391 0.546 -6.973 1.00 0.00 H new ATOM 327 N GLN A 34 92.054 2.199 -9.169 1.00 0.00 N ATOM 328 CA GLN A 34 91.300 2.440 -10.395 1.00 0.00 C ATOM 329 C GLN A 34 91.979 3.504 -11.251 1.00 0.00 C ATOM 330 O GLN A 34 91.794 3.548 -12.468 1.00 0.00 O ATOM 331 CB GLN A 34 89.869 2.868 -10.064 1.00 0.00 C ATOM 332 CG GLN A 34 88.863 2.512 -11.146 1.00 0.00 C ATOM 333 CD GLN A 34 87.428 2.697 -10.691 1.00 0.00 C ATOM 334 OE1 GLN A 34 86.872 3.792 -10.784 1.00 0.00 O ATOM 335 NE2 GLN A 34 86.822 1.625 -10.195 1.00 0.00 N ATOM 0 H GLN A 34 91.512 2.306 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 34 91.270 1.510 -10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 34 89.565 2.399 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 34 89.849 3.946 -9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 34 89.045 3.132 -12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 34 89.013 1.476 -11.450 1.00 0.00 H new ATOM 0 HE21 GLN A 34 87.322 0.738 -10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 34 85.857 1.689 -9.872 1.00 0.00 H new ATOM 344 N ASN A 35 92.770 4.355 -10.609 1.00 0.00 N ATOM 345 CA ASN A 35 93.484 5.415 -11.307 1.00 0.00 C ATOM 346 C ASN A 35 94.695 4.852 -12.038 1.00 0.00 C ATOM 347 O ASN A 35 94.783 4.917 -13.264 1.00 0.00 O ATOM 348 CB ASN A 35 93.930 6.485 -10.314 1.00 0.00 C ATOM 349 CG ASN A 35 94.048 7.857 -10.951 1.00 0.00 C ATOM 350 OD1 ASN A 35 93.318 8.783 -10.600 1.00 0.00 O ATOM 351 ND2 ASN A 35 94.973 7.991 -11.896 1.00 0.00 N ATOM 0 H ASN A 35 92.933 4.331 -9.602 1.00 0.00 H new ATOM 0 HA ASN A 35 92.811 5.862 -12.039 1.00 0.00 H new ATOM 0 HB2 ASN A 35 93.218 6.531 -9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 35 94.893 6.202 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 35 95.100 8.889 -12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 35 95.556 7.195 -12.155 1.00 0.00 H new ATOM 358 N LEU A 36 95.629 4.297 -11.271 1.00 0.00 N ATOM 359 CA LEU A 36 96.841 3.718 -11.838 1.00 0.00 C ATOM 360 C LEU A 36 96.505 2.641 -12.865 1.00 0.00 C ATOM 361 O LEU A 36 97.209 2.479 -13.861 1.00 0.00 O ATOM 362 CB LEU A 36 97.718 3.128 -10.731 1.00 0.00 C ATOM 363 CG LEU A 36 97.014 2.135 -9.805 1.00 0.00 C ATOM 364 CD1 LEU A 36 96.948 0.756 -10.446 1.00 0.00 C ATOM 365 CD2 LEU A 36 97.725 2.068 -8.460 1.00 0.00 C ATOM 0 H LEU A 36 95.569 4.236 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 36 97.390 4.514 -12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 36 98.571 2.629 -11.192 1.00 0.00 H new ATOM 0 HB3 LEU A 36 98.114 3.945 -10.128 1.00 0.00 H new ATOM 0 HG LEU A 36 95.994 2.482 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 36 96.444 0.065 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 36 96.395 0.817 -11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.958 0.398 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 36 97.212 1.357 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 36 98.755 1.745 -8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 36 97.717 3.054 -7.995 1.00 0.00 H new ATOM 377 N TYR A 37 95.422 1.907 -12.618 1.00 0.00 N ATOM 378 CA TYR A 37 94.998 0.849 -13.530 1.00 0.00 C ATOM 379 C TYR A 37 94.695 1.408 -14.918 1.00 0.00 C ATOM 380 O TYR A 37 94.666 0.669 -15.903 1.00 0.00 O ATOM 381 CB TYR A 37 93.766 0.128 -12.976 1.00 0.00 C ATOM 382 CG TYR A 37 93.861 -1.379 -13.054 1.00 0.00 C ATOM 383 CD1 TYR A 37 94.343 -2.006 -14.195 1.00 0.00 C ATOM 384 CD2 TYR A 37 93.466 -2.175 -11.985 1.00 0.00 C ATOM 385 CE1 TYR A 37 94.431 -3.384 -14.270 1.00 0.00 C ATOM 386 CE2 TYR A 37 93.551 -3.552 -12.051 1.00 0.00 C ATOM 387 CZ TYR A 37 94.033 -4.152 -13.196 1.00 0.00 C ATOM 388 OH TYR A 37 94.118 -5.523 -13.266 1.00 0.00 O ATOM 0 H TYR A 37 94.826 2.025 -11.799 1.00 0.00 H new ATOM 0 HA TYR A 37 95.818 0.136 -13.619 1.00 0.00 H new ATOM 0 HB2 TYR A 37 93.621 0.421 -11.936 1.00 0.00 H new ATOM 0 HB3 TYR A 37 92.885 0.457 -13.526 1.00 0.00 H new ATOM 0 HD1 TYR A 37 94.654 -1.407 -15.038 1.00 0.00 H new ATOM 0 HD2 TYR A 37 93.086 -1.709 -11.088 1.00 0.00 H new ATOM 0 HE1 TYR A 37 94.809 -3.856 -15.165 1.00 0.00 H new ATOM 0 HE2 TYR A 37 93.242 -4.156 -11.211 1.00 0.00 H new ATOM 0 HH TYR A 37 93.799 -5.914 -12.426 1.00 0.00 H new ATOM 398 N GLU A 38 94.472 2.714 -14.988 1.00 0.00 N ATOM 399 CA GLU A 38 94.175 3.374 -16.253 1.00 0.00 C ATOM 400 C GLU A 38 95.406 3.398 -17.153 1.00 0.00 C ATOM 401 O GLU A 38 95.294 3.344 -18.378 1.00 0.00 O ATOM 402 CB GLU A 38 93.679 4.801 -16.005 1.00 0.00 C ATOM 403 CG GLU A 38 92.557 5.226 -16.938 1.00 0.00 C ATOM 404 CD GLU A 38 92.993 5.281 -18.389 1.00 0.00 C ATOM 405 OE1 GLU A 38 93.038 4.214 -19.036 1.00 0.00 O ATOM 406 OE2 GLU A 38 93.291 6.391 -18.876 1.00 0.00 O ATOM 0 H GLU A 38 94.491 3.339 -14.182 1.00 0.00 H new ATOM 0 HA GLU A 38 93.390 2.809 -16.755 1.00 0.00 H new ATOM 0 HB2 GLU A 38 93.334 4.883 -14.974 1.00 0.00 H new ATOM 0 HB3 GLU A 38 94.515 5.492 -16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 38 91.724 4.530 -16.839 1.00 0.00 H new ATOM 0 HG3 GLU A 38 92.190 6.207 -16.636 1.00 0.00 H new ATOM 413 N LYS A 39 96.581 3.478 -16.536 1.00 0.00 N ATOM 414 CA LYS A 39 97.834 3.505 -17.281 1.00 0.00 C ATOM 415 C LYS A 39 98.419 2.101 -17.428 1.00 0.00 C ATOM 416 O LYS A 39 99.597 1.943 -17.749 1.00 0.00 O ATOM 417 CB LYS A 39 98.843 4.424 -16.589 1.00 0.00 C ATOM 418 CG LYS A 39 98.947 5.801 -17.225 1.00 0.00 C ATOM 419 CD LYS A 39 97.937 6.768 -16.628 1.00 0.00 C ATOM 420 CE LYS A 39 98.593 7.718 -15.638 1.00 0.00 C ATOM 421 NZ LYS A 39 98.951 9.018 -16.270 1.00 0.00 N ATOM 0 H LYS A 39 96.691 3.525 -15.523 1.00 0.00 H new ATOM 0 HA LYS A 39 97.624 3.892 -18.278 1.00 0.00 H new ATOM 0 HB2 LYS A 39 98.561 4.537 -15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 39 99.824 3.950 -16.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 99.954 6.193 -17.084 1.00 0.00 H new ATOM 0 HG3 LYS A 39 98.784 5.720 -18.300 1.00 0.00 H new ATOM 0 HD2 LYS A 39 97.465 7.341 -17.426 1.00 0.00 H new ATOM 0 HD3 LYS A 39 97.147 6.208 -16.128 1.00 0.00 H new ATOM 0 HE2 LYS A 39 97.917 7.895 -14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 39 99.490 7.254 -15.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 99.395 9.637 -15.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 99.616 8.852 -17.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 98.091 9.474 -16.638 1.00 0.00 H new ATOM 435 N THR A 40 97.589 1.084 -17.191 1.00 0.00 N ATOM 436 CA THR A 40 98.017 -0.310 -17.297 1.00 0.00 C ATOM 437 C THR A 40 99.375 -0.531 -16.632 1.00 0.00 C ATOM 438 O THR A 40 100.236 -1.228 -17.171 1.00 0.00 O ATOM 439 CB THR A 40 98.077 -0.739 -18.765 1.00 0.00 C ATOM 440 OG1 THR A 40 98.337 -2.127 -18.872 1.00 0.00 O ATOM 441 CG2 THR A 40 99.136 -0.011 -19.565 1.00 0.00 C ATOM 0 H THR A 40 96.612 1.202 -16.923 1.00 0.00 H new ATOM 0 HA THR A 40 97.282 -0.922 -16.774 1.00 0.00 H new ATOM 0 HB THR A 40 97.100 -0.486 -19.176 1.00 0.00 H new ATOM 0 HG1 THR A 40 99.129 -2.353 -18.341 1.00 0.00 H new ATOM 0 HG21 THR A 40 99.121 -0.366 -20.596 1.00 0.00 H new ATOM 0 HG22 THR A 40 98.934 1.060 -19.547 1.00 0.00 H new ATOM 0 HG23 THR A 40 100.117 -0.202 -19.129 1.00 0.00 H new ATOM 449 N TYR A 41 99.559 0.063 -15.457 1.00 0.00 N ATOM 450 CA TYR A 41 100.811 -0.073 -14.721 1.00 0.00 C ATOM 451 C TYR A 41 100.645 -1.019 -13.537 1.00 0.00 C ATOM 452 O TYR A 41 101.338 -0.897 -12.527 1.00 0.00 O ATOM 453 CB TYR A 41 101.294 1.294 -14.235 1.00 0.00 C ATOM 454 CG TYR A 41 102.743 1.580 -14.563 1.00 0.00 C ATOM 455 CD1 TYR A 41 103.710 0.588 -14.452 1.00 0.00 C ATOM 456 CD2 TYR A 41 103.143 2.842 -14.985 1.00 0.00 C ATOM 457 CE1 TYR A 41 105.034 0.847 -14.752 1.00 0.00 C ATOM 458 CE2 TYR A 41 104.465 3.107 -15.287 1.00 0.00 C ATOM 459 CZ TYR A 41 105.406 2.107 -15.168 1.00 0.00 C ATOM 460 OH TYR A 41 106.724 2.368 -15.467 1.00 0.00 O ATOM 0 H TYR A 41 98.858 0.642 -14.995 1.00 0.00 H new ATOM 0 HA TYR A 41 101.557 -0.493 -15.396 1.00 0.00 H new ATOM 0 HB2 TYR A 41 100.670 2.069 -14.680 1.00 0.00 H new ATOM 0 HB3 TYR A 41 101.156 1.355 -13.155 1.00 0.00 H new ATOM 0 HD1 TYR A 41 103.422 -0.401 -14.126 1.00 0.00 H new ATOM 0 HD2 TYR A 41 102.409 3.628 -15.078 1.00 0.00 H new ATOM 0 HE1 TYR A 41 105.774 0.065 -14.661 1.00 0.00 H new ATOM 0 HE2 TYR A 41 104.760 4.093 -15.615 1.00 0.00 H new ATOM 0 HH TYR A 41 106.817 3.303 -15.746 1.00 0.00 H new ATOM 470 N LEU A 42 99.719 -1.958 -13.671 1.00 0.00 N ATOM 471 CA LEU A 42 99.450 -2.930 -12.616 1.00 0.00 C ATOM 472 C LEU A 42 99.934 -4.329 -13.005 1.00 0.00 C ATOM 473 O LEU A 42 100.677 -4.963 -12.258 1.00 0.00 O ATOM 474 CB LEU A 42 97.954 -2.961 -12.289 1.00 0.00 C ATOM 475 CG LEU A 42 97.614 -2.872 -10.801 1.00 0.00 C ATOM 476 CD1 LEU A 42 96.225 -2.285 -10.605 1.00 0.00 C ATOM 477 CD2 LEU A 42 97.713 -4.244 -10.150 1.00 0.00 C ATOM 0 H LEU A 42 99.139 -2.069 -14.502 1.00 0.00 H new ATOM 0 HA LEU A 42 100.003 -2.619 -11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 42 97.467 -2.135 -12.807 1.00 0.00 H new ATOM 0 HB3 LEU A 42 97.529 -3.882 -12.688 1.00 0.00 H new ATOM 0 HG LEU A 42 98.335 -2.211 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 42 96.000 -2.229 -9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 42 96.189 -1.285 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 42 95.489 -2.920 -11.098 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.468 -4.163 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.014 -4.927 -10.633 1.00 0.00 H new ATOM 0 HD23 LEU A 42 98.728 -4.626 -10.259 1.00 0.00 H new ATOM 489 N PRO A 43 99.515 -4.840 -14.178 1.00 0.00 N ATOM 490 CA PRO A 43 99.913 -6.175 -14.644 1.00 0.00 C ATOM 491 C PRO A 43 101.414 -6.291 -14.913 1.00 0.00 C ATOM 492 O PRO A 43 101.920 -7.388 -15.153 1.00 0.00 O ATOM 493 CB PRO A 43 99.127 -6.360 -15.949 1.00 0.00 C ATOM 494 CG PRO A 43 98.055 -5.324 -15.915 1.00 0.00 C ATOM 495 CD PRO A 43 98.620 -4.174 -15.137 1.00 0.00 C ATOM 0 HA PRO A 43 99.702 -6.933 -13.890 1.00 0.00 H new ATOM 0 HB2 PRO A 43 99.772 -6.230 -16.818 1.00 0.00 H new ATOM 0 HB3 PRO A 43 98.703 -7.362 -16.014 1.00 0.00 H new ATOM 0 HG2 PRO A 43 97.778 -5.015 -16.923 1.00 0.00 H new ATOM 0 HG3 PRO A 43 97.153 -5.711 -15.441 1.00 0.00 H new ATOM 0 HD2 PRO A 43 99.160 -3.478 -15.779 1.00 0.00 H new ATOM 0 HD3 PRO A 43 97.840 -3.604 -14.633 1.00 0.00 H new ATOM 503 N ALA A 44 102.124 -5.165 -14.883 1.00 0.00 N ATOM 504 CA ALA A 44 103.562 -5.170 -15.136 1.00 0.00 C ATOM 505 C ALA A 44 104.351 -4.560 -13.980 1.00 0.00 C ATOM 506 O ALA A 44 105.570 -4.422 -14.063 1.00 0.00 O ATOM 507 CB ALA A 44 103.870 -4.437 -16.431 1.00 0.00 C ATOM 0 H ALA A 44 101.730 -4.245 -14.688 1.00 0.00 H new ATOM 0 HA ALA A 44 103.874 -6.210 -15.228 1.00 0.00 H new ATOM 0 HB1 ALA A 44 104.945 -4.448 -16.608 1.00 0.00 H new ATOM 0 HB2 ALA A 44 103.361 -4.931 -17.259 1.00 0.00 H new ATOM 0 HB3 ALA A 44 103.525 -3.406 -16.356 1.00 0.00 H new ATOM 513 N VAL A 45 103.663 -4.206 -12.903 1.00 0.00 N ATOM 514 CA VAL A 45 104.329 -3.624 -11.743 1.00 0.00 C ATOM 515 C VAL A 45 105.196 -4.665 -11.045 1.00 0.00 C ATOM 516 O VAL A 45 106.180 -4.332 -10.387 1.00 0.00 O ATOM 517 CB VAL A 45 103.318 -3.042 -10.738 1.00 0.00 C ATOM 518 CG1 VAL A 45 102.310 -4.099 -10.312 1.00 0.00 C ATOM 519 CG2 VAL A 45 104.031 -2.453 -9.525 1.00 0.00 C ATOM 0 H VAL A 45 102.653 -4.310 -12.807 1.00 0.00 H new ATOM 0 HA VAL A 45 104.957 -2.811 -12.107 1.00 0.00 H new ATOM 0 HB VAL A 45 102.776 -2.236 -11.234 1.00 0.00 H new ATOM 0 HG11 VAL A 45 101.606 -3.665 -9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 45 101.768 -4.459 -11.187 1.00 0.00 H new ATOM 0 HG13 VAL A 45 102.833 -4.932 -9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 45 103.294 -2.049 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 45 104.608 -3.233 -9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 45 104.701 -1.656 -9.848 1.00 0.00 H new ATOM 529 N ASP A 46 104.826 -5.932 -11.202 1.00 0.00 N ATOM 530 CA ASP A 46 105.572 -7.024 -10.596 1.00 0.00 C ATOM 531 C ASP A 46 106.793 -7.383 -11.439 1.00 0.00 C ATOM 532 O ASP A 46 107.731 -8.013 -10.949 1.00 0.00 O ATOM 533 CB ASP A 46 104.675 -8.252 -10.430 1.00 0.00 C ATOM 534 CG ASP A 46 105.227 -9.239 -9.421 1.00 0.00 C ATOM 535 OD1 ASP A 46 105.529 -8.820 -8.284 1.00 0.00 O ATOM 536 OD2 ASP A 46 105.355 -10.433 -9.766 1.00 0.00 O ATOM 0 H ASP A 46 104.014 -6.226 -11.744 1.00 0.00 H new ATOM 0 HA ASP A 46 105.914 -6.696 -9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 46 103.681 -7.933 -10.116 1.00 0.00 H new ATOM 0 HB3 ASP A 46 104.560 -8.748 -11.394 1.00 0.00 H new ATOM 541 N GLU A 47 106.779 -6.983 -12.709 1.00 0.00 N ATOM 542 CA GLU A 47 107.889 -7.272 -13.608 1.00 0.00 C ATOM 543 C GLU A 47 108.288 -6.040 -14.419 1.00 0.00 C ATOM 544 O GLU A 47 108.767 -6.162 -15.547 1.00 0.00 O ATOM 545 CB GLU A 47 107.520 -8.418 -14.552 1.00 0.00 C ATOM 546 CG GLU A 47 108.697 -9.307 -14.919 1.00 0.00 C ATOM 547 CD GLU A 47 108.599 -9.853 -16.329 1.00 0.00 C ATOM 548 OE1 GLU A 47 107.464 -10.050 -16.811 1.00 0.00 O ATOM 549 OE2 GLU A 47 109.657 -10.081 -16.953 1.00 0.00 O ATOM 0 H GLU A 47 106.014 -6.460 -13.135 1.00 0.00 H new ATOM 0 HA GLU A 47 108.742 -7.566 -12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 47 106.747 -9.028 -14.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 107.091 -8.003 -15.464 1.00 0.00 H new ATOM 0 HG2 GLU A 47 109.622 -8.739 -14.817 1.00 0.00 H new ATOM 0 HG3 GLU A 47 108.753 -10.137 -14.215 1.00 0.00 H new ATOM 556 N LYS A 48 108.096 -4.856 -13.842 1.00 0.00 N ATOM 557 CA LYS A 48 108.450 -3.616 -14.527 1.00 0.00 C ATOM 558 C LYS A 48 108.500 -2.440 -13.559 1.00 0.00 C ATOM 559 O LYS A 48 109.534 -1.788 -13.421 1.00 0.00 O ATOM 560 CB LYS A 48 107.464 -3.325 -15.660 1.00 0.00 C ATOM 561 CG LYS A 48 108.075 -2.545 -16.812 1.00 0.00 C ATOM 562 CD LYS A 48 107.339 -2.808 -18.116 1.00 0.00 C ATOM 563 CE LYS A 48 107.990 -2.079 -19.280 1.00 0.00 C ATOM 564 NZ LYS A 48 107.833 -2.822 -20.560 1.00 0.00 N ATOM 0 H LYS A 48 107.701 -4.729 -12.910 1.00 0.00 H new ATOM 0 HA LYS A 48 109.446 -3.747 -14.951 1.00 0.00 H new ATOM 0 HB2 LYS A 48 107.070 -4.268 -16.039 1.00 0.00 H new ATOM 0 HB3 LYS A 48 106.619 -2.764 -15.260 1.00 0.00 H new ATOM 0 HG2 LYS A 48 108.047 -1.479 -16.586 1.00 0.00 H new ATOM 0 HG3 LYS A 48 109.124 -2.820 -16.923 1.00 0.00 H new ATOM 0 HD2 LYS A 48 107.326 -3.879 -18.318 1.00 0.00 H new ATOM 0 HD3 LYS A 48 106.301 -2.489 -18.020 1.00 0.00 H new ATOM 0 HE2 LYS A 48 107.548 -1.087 -19.380 1.00 0.00 H new ATOM 0 HE3 LYS A 48 109.050 -1.936 -19.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 108.291 -2.291 -21.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 108.277 -3.759 -20.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 106.822 -2.936 -20.773 1.00 0.00 H new ATOM 578 N LEU A 49 107.389 -2.176 -12.879 1.00 0.00 N ATOM 579 CA LEU A 49 107.335 -1.083 -11.917 1.00 0.00 C ATOM 580 C LEU A 49 107.837 -1.561 -10.560 1.00 0.00 C ATOM 581 O LEU A 49 107.272 -1.229 -9.518 1.00 0.00 O ATOM 582 CB LEU A 49 105.910 -0.541 -11.796 1.00 0.00 C ATOM 583 CG LEU A 49 105.806 0.913 -11.328 1.00 0.00 C ATOM 584 CD1 LEU A 49 106.668 1.818 -12.196 1.00 0.00 C ATOM 585 CD2 LEU A 49 104.357 1.375 -11.347 1.00 0.00 C ATOM 0 H LEU A 49 106.520 -2.701 -12.976 1.00 0.00 H new ATOM 0 HA LEU A 49 107.978 -0.276 -12.269 1.00 0.00 H new ATOM 0 HB2 LEU A 49 105.420 -0.630 -12.766 1.00 0.00 H new ATOM 0 HB3 LEU A 49 105.356 -1.171 -11.100 1.00 0.00 H new ATOM 0 HG LEU A 49 106.173 0.972 -10.303 1.00 0.00 H new ATOM 0 HD11 LEU A 49 106.581 2.847 -11.848 1.00 0.00 H new ATOM 0 HD12 LEU A 49 107.709 1.500 -12.132 1.00 0.00 H new ATOM 0 HD13 LEU A 49 106.333 1.756 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 49 104.301 2.411 -11.012 1.00 0.00 H new ATOM 0 HD22 LEU A 49 103.965 1.300 -12.361 1.00 0.00 H new ATOM 0 HD23 LEU A 49 103.766 0.746 -10.682 1.00 0.00 H new ATOM 597 N ARG A 50 108.905 -2.351 -10.594 1.00 0.00 N ATOM 598 CA ARG A 50 109.506 -2.897 -9.385 1.00 0.00 C ATOM 599 C ARG A 50 110.728 -3.750 -9.724 1.00 0.00 C ATOM 600 O ARG A 50 111.639 -3.890 -8.908 1.00 0.00 O ATOM 601 CB ARG A 50 108.483 -3.733 -8.614 1.00 0.00 C ATOM 602 CG ARG A 50 108.670 -3.681 -7.105 1.00 0.00 C ATOM 603 CD ARG A 50 107.447 -3.105 -6.409 1.00 0.00 C ATOM 604 NE ARG A 50 107.811 -2.210 -5.313 1.00 0.00 N ATOM 605 CZ ARG A 50 106.982 -1.314 -4.780 1.00 0.00 C ATOM 606 NH1 ARG A 50 105.743 -1.191 -5.238 1.00 0.00 N ATOM 607 NH2 ARG A 50 107.394 -0.540 -3.785 1.00 0.00 N ATOM 0 H ARG A 50 109.375 -2.629 -11.455 1.00 0.00 H new ATOM 0 HA ARG A 50 109.828 -2.064 -8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 50 107.480 -3.383 -8.860 1.00 0.00 H new ATOM 0 HB3 ARG A 50 108.549 -4.769 -8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 50 108.865 -4.685 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 50 109.544 -3.075 -6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 50 106.840 -2.562 -7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 50 106.833 -3.919 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 50 108.756 -2.275 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 50 105.421 -1.784 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 50 105.113 -0.503 -4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 50 108.345 -0.631 -3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 50 106.760 0.146 -3.376 1.00 0.00 H new ATOM 621 N ASP A 51 110.749 -4.321 -10.931 1.00 0.00 N ATOM 622 CA ASP A 51 111.867 -5.155 -11.358 1.00 0.00 C ATOM 623 C ASP A 51 112.678 -4.460 -12.446 1.00 0.00 C ATOM 624 O ASP A 51 113.890 -4.653 -12.547 1.00 0.00 O ATOM 625 CB ASP A 51 111.362 -6.508 -11.863 1.00 0.00 C ATOM 626 CG ASP A 51 112.455 -7.557 -11.897 1.00 0.00 C ATOM 627 OD1 ASP A 51 113.407 -7.398 -12.690 1.00 0.00 O ATOM 628 OD2 ASP A 51 112.360 -8.539 -11.130 1.00 0.00 O ATOM 0 H ASP A 51 110.007 -4.220 -11.624 1.00 0.00 H new ATOM 0 HA ASP A 51 112.515 -5.319 -10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 51 110.551 -6.853 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 51 110.947 -6.387 -12.864 1.00 0.00 H new ATOM 633 N LEU A 52 112.005 -3.646 -13.251 1.00 0.00 N ATOM 634 CA LEU A 52 112.669 -2.913 -14.324 1.00 0.00 C ATOM 635 C LEU A 52 113.144 -1.545 -13.835 1.00 0.00 C ATOM 636 O LEU A 52 113.451 -0.662 -14.635 1.00 0.00 O ATOM 637 CB LEU A 52 111.726 -2.746 -15.516 1.00 0.00 C ATOM 638 CG LEU A 52 112.387 -2.235 -16.800 1.00 0.00 C ATOM 639 CD1 LEU A 52 111.929 -3.051 -18.000 1.00 0.00 C ATOM 640 CD2 LEU A 52 112.080 -0.760 -17.010 1.00 0.00 C ATOM 0 H LEU A 52 111.002 -3.477 -13.182 1.00 0.00 H new ATOM 0 HA LEU A 52 113.540 -3.487 -14.639 1.00 0.00 H new ATOM 0 HB2 LEU A 52 111.256 -3.707 -15.725 1.00 0.00 H new ATOM 0 HB3 LEU A 52 110.930 -2.056 -15.236 1.00 0.00 H new ATOM 0 HG LEU A 52 113.466 -2.350 -16.698 1.00 0.00 H new ATOM 0 HD11 LEU A 52 112.410 -2.673 -18.902 1.00 0.00 H new ATOM 0 HD12 LEU A 52 112.202 -4.096 -17.855 1.00 0.00 H new ATOM 0 HD13 LEU A 52 110.847 -2.970 -18.104 1.00 0.00 H new ATOM 0 HD21 LEU A 52 112.558 -0.416 -17.927 1.00 0.00 H new ATOM 0 HD22 LEU A 52 111.002 -0.620 -17.089 1.00 0.00 H new ATOM 0 HD23 LEU A 52 112.460 -0.185 -16.165 1.00 0.00 H new ATOM 652 N TYR A 53 113.199 -1.380 -12.516 1.00 0.00 N ATOM 653 CA TYR A 53 113.632 -0.128 -11.913 1.00 0.00 C ATOM 654 C TYR A 53 114.821 -0.355 -10.992 1.00 0.00 C ATOM 655 O TYR A 53 115.827 0.347 -11.079 1.00 0.00 O ATOM 656 CB TYR A 53 112.481 0.507 -11.136 1.00 0.00 C ATOM 657 CG TYR A 53 112.261 1.964 -11.473 1.00 0.00 C ATOM 658 CD1 TYR A 53 113.209 2.924 -11.142 1.00 0.00 C ATOM 659 CD2 TYR A 53 111.104 2.380 -12.119 1.00 0.00 C ATOM 660 CE1 TYR A 53 113.011 4.257 -11.447 1.00 0.00 C ATOM 661 CE2 TYR A 53 110.899 3.711 -12.428 1.00 0.00 C ATOM 662 CZ TYR A 53 111.855 4.646 -12.090 1.00 0.00 C ATOM 663 OH TYR A 53 111.654 5.972 -12.396 1.00 0.00 O ATOM 0 H TYR A 53 112.947 -2.104 -11.843 1.00 0.00 H new ATOM 0 HA TYR A 53 113.939 0.548 -12.711 1.00 0.00 H new ATOM 0 HB2 TYR A 53 111.565 -0.048 -11.340 1.00 0.00 H new ATOM 0 HB3 TYR A 53 112.679 0.415 -10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 53 114.116 2.623 -10.638 1.00 0.00 H new ATOM 0 HD2 TYR A 53 110.352 1.651 -12.384 1.00 0.00 H new ATOM 0 HE1 TYR A 53 113.758 4.991 -11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 53 109.994 4.018 -12.932 1.00 0.00 H new ATOM 0 HH TYR A 53 110.791 6.076 -12.849 1.00 0.00 H new ATOM 673 N SER A 54 114.689 -1.336 -10.101 1.00 0.00 N ATOM 674 CA SER A 54 115.745 -1.659 -9.144 1.00 0.00 C ATOM 675 C SER A 54 116.373 -0.388 -8.594 1.00 0.00 C ATOM 676 O SER A 54 117.574 -0.323 -8.331 1.00 0.00 O ATOM 677 CB SER A 54 116.811 -2.544 -9.790 1.00 0.00 C ATOM 678 OG SER A 54 116.333 -3.864 -9.980 1.00 0.00 O ATOM 0 H SER A 54 113.858 -1.923 -10.022 1.00 0.00 H new ATOM 0 HA SER A 54 115.297 -2.211 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 54 117.107 -2.120 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 54 117.701 -2.563 -9.161 1.00 0.00 H new ATOM 0 HG SER A 54 117.033 -4.409 -10.396 1.00 0.00 H new ATOM 684 N LYS A 55 115.531 0.617 -8.434 1.00 0.00 N ATOM 685 CA LYS A 55 115.947 1.913 -7.923 1.00 0.00 C ATOM 686 C LYS A 55 114.729 2.757 -7.570 1.00 0.00 C ATOM 687 O LYS A 55 114.817 3.669 -6.747 1.00 0.00 O ATOM 688 CB LYS A 55 116.812 2.641 -8.955 1.00 0.00 C ATOM 689 CG LYS A 55 117.966 3.418 -8.342 1.00 0.00 C ATOM 690 CD LYS A 55 119.239 3.267 -9.161 1.00 0.00 C ATOM 691 CE LYS A 55 119.942 4.603 -9.348 1.00 0.00 C ATOM 692 NZ LYS A 55 119.505 5.291 -10.593 1.00 0.00 N ATOM 0 H LYS A 55 114.537 0.558 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 55 116.538 1.756 -7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 55 117.210 1.913 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 55 116.184 3.327 -9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 55 117.700 4.473 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 55 118.143 3.067 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 55 119.911 2.567 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 55 118.998 2.842 -10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 55 119.739 5.243 -8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 55 121.020 4.445 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 120.007 6.197 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 119.721 4.692 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 118.481 5.466 -10.552 1.00 0.00 H new ATOM 706 N SER A 56 113.582 2.443 -8.180 1.00 0.00 N ATOM 707 CA SER A 56 112.354 3.183 -7.892 1.00 0.00 C ATOM 708 C SER A 56 112.132 3.245 -6.389 1.00 0.00 C ATOM 709 O SER A 56 111.933 4.317 -5.817 1.00 0.00 O ATOM 710 CB SER A 56 111.148 2.524 -8.566 1.00 0.00 C ATOM 711 OG SER A 56 111.274 1.114 -8.576 1.00 0.00 O ATOM 0 H SER A 56 113.480 1.694 -8.865 1.00 0.00 H new ATOM 0 HA SER A 56 112.460 4.193 -8.288 1.00 0.00 H new ATOM 0 HB2 SER A 56 110.235 2.806 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 56 111.054 2.891 -9.588 1.00 0.00 H new ATOM 0 HG SER A 56 110.490 0.719 -9.011 1.00 0.00 H new ATOM 717 N THR A 57 112.186 2.080 -5.757 1.00 0.00 N ATOM 718 CA THR A 57 112.012 1.978 -4.317 1.00 0.00 C ATOM 719 C THR A 57 113.153 1.187 -3.687 1.00 0.00 C ATOM 720 O THR A 57 113.053 0.733 -2.547 1.00 0.00 O ATOM 721 CB THR A 57 110.673 1.325 -3.993 1.00 0.00 C ATOM 722 OG1 THR A 57 110.372 1.450 -2.614 1.00 0.00 O ATOM 723 CG2 THR A 57 110.614 -0.146 -4.347 1.00 0.00 C ATOM 0 H THR A 57 112.350 1.188 -6.224 1.00 0.00 H new ATOM 0 HA THR A 57 112.024 2.984 -3.899 1.00 0.00 H new ATOM 0 HB THR A 57 109.944 1.854 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 57 111.154 1.189 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 57 109.632 -0.543 -4.089 1.00 0.00 H new ATOM 0 HG22 THR A 57 110.786 -0.270 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 57 111.381 -0.685 -3.791 1.00 0.00 H new ATOM 731 N ALA A 58 114.242 1.043 -4.431 1.00 0.00 N ATOM 732 CA ALA A 58 115.409 0.326 -3.940 1.00 0.00 C ATOM 733 C ALA A 58 116.082 1.137 -2.847 1.00 0.00 C ATOM 734 O ALA A 58 116.466 0.606 -1.805 1.00 0.00 O ATOM 735 CB ALA A 58 116.379 0.045 -5.076 1.00 0.00 C ATOM 0 H ALA A 58 114.340 1.413 -5.376 1.00 0.00 H new ATOM 0 HA ALA A 58 115.092 -0.631 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 58 117.246 -0.492 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 58 115.885 -0.562 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 58 116.703 0.987 -5.519 1.00 0.00 H new ATOM 741 N ALA A 59 116.205 2.436 -3.092 1.00 0.00 N ATOM 742 CA ALA A 59 116.812 3.341 -2.128 1.00 0.00 C ATOM 743 C ALA A 59 115.902 3.526 -0.916 1.00 0.00 C ATOM 744 O ALA A 59 116.369 3.851 0.176 1.00 0.00 O ATOM 745 CB ALA A 59 117.109 4.684 -2.778 1.00 0.00 C ATOM 0 H ALA A 59 115.891 2.885 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 59 117.750 2.903 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 59 117.563 5.351 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 59 117.796 4.541 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 59 116.181 5.124 -3.144 1.00 0.00 H new ATOM 751 N MET A 60 114.600 3.315 -1.114 1.00 0.00 N ATOM 752 CA MET A 60 113.631 3.457 -0.033 1.00 0.00 C ATOM 753 C MET A 60 113.629 2.227 0.871 1.00 0.00 C ATOM 754 O MET A 60 113.167 2.286 2.011 1.00 0.00 O ATOM 755 CB MET A 60 112.231 3.686 -0.605 1.00 0.00 C ATOM 756 CG MET A 60 111.376 4.620 0.235 1.00 0.00 C ATOM 757 SD MET A 60 110.239 3.736 1.320 1.00 0.00 S ATOM 758 CE MET A 60 108.702 4.584 0.965 1.00 0.00 C ATOM 0 H MET A 60 114.196 3.046 -2.011 1.00 0.00 H new ATOM 0 HA MET A 60 113.920 4.320 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 60 112.321 4.096 -1.611 1.00 0.00 H new ATOM 0 HB3 MET A 60 111.723 2.726 -0.696 1.00 0.00 H new ATOM 0 HG2 MET A 60 112.024 5.257 0.837 1.00 0.00 H new ATOM 0 HG3 MET A 60 110.807 5.276 -0.424 1.00 0.00 H new ATOM 0 HE1 MET A 60 107.900 4.149 1.562 1.00 0.00 H new ATOM 0 HE2 MET A 60 108.805 5.641 1.210 1.00 0.00 H new ATOM 0 HE3 MET A 60 108.464 4.478 -0.094 1.00 0.00 H new ATOM 768 N SER A 61 114.146 1.113 0.359 1.00 0.00 N ATOM 769 CA SER A 61 114.201 -0.127 1.125 1.00 0.00 C ATOM 770 C SER A 61 115.522 -0.851 0.887 1.00 0.00 C ATOM 771 O SER A 61 115.544 -2.031 0.532 1.00 0.00 O ATOM 772 CB SER A 61 113.028 -1.035 0.749 1.00 0.00 C ATOM 773 OG SER A 61 112.455 -1.631 1.901 1.00 0.00 O ATOM 0 H SER A 61 114.532 1.045 -0.583 1.00 0.00 H new ATOM 0 HA SER A 61 114.130 0.122 2.184 1.00 0.00 H new ATOM 0 HB2 SER A 61 112.271 -0.456 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 61 113.370 -1.812 0.065 1.00 0.00 H new ATOM 0 HG SER A 61 111.707 -2.205 1.635 1.00 0.00 H new ATOM 779 N THR A 62 116.624 -0.136 1.085 1.00 0.00 N ATOM 780 CA THR A 62 117.951 -0.704 0.895 1.00 0.00 C ATOM 781 C THR A 62 118.581 -1.082 2.229 1.00 0.00 C ATOM 782 O THR A 62 119.559 -1.828 2.272 1.00 0.00 O ATOM 783 CB THR A 62 118.856 0.286 0.166 1.00 0.00 C ATOM 784 OG1 THR A 62 118.147 1.463 -0.178 1.00 0.00 O ATOM 785 CG2 THR A 62 119.459 -0.276 -1.103 1.00 0.00 C ATOM 0 H THR A 62 116.623 0.841 1.378 1.00 0.00 H new ATOM 0 HA THR A 62 117.843 -1.605 0.292 1.00 0.00 H new ATOM 0 HB THR A 62 119.662 0.505 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 62 117.387 1.231 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 62 120.091 0.479 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 62 120.059 -1.154 -0.863 1.00 0.00 H new ATOM 0 HG23 THR A 62 118.662 -0.559 -1.790 1.00 0.00 H new ATOM 793 N TYR A 63 118.016 -0.566 3.316 1.00 0.00 N ATOM 794 CA TYR A 63 118.522 -0.854 4.651 1.00 0.00 C ATOM 795 C TYR A 63 118.780 -2.343 4.821 1.00 0.00 C ATOM 796 O TYR A 63 119.647 -2.750 5.594 1.00 0.00 O ATOM 797 CB TYR A 63 117.535 -0.377 5.709 1.00 0.00 C ATOM 798 CG TYR A 63 117.843 1.000 6.253 1.00 0.00 C ATOM 799 CD1 TYR A 63 117.524 2.142 5.527 1.00 0.00 C ATOM 800 CD2 TYR A 63 118.449 1.159 7.492 1.00 0.00 C ATOM 801 CE1 TYR A 63 117.804 3.402 6.020 1.00 0.00 C ATOM 802 CE2 TYR A 63 118.732 2.416 7.992 1.00 0.00 C ATOM 803 CZ TYR A 63 118.407 3.534 7.252 1.00 0.00 C ATOM 804 OH TYR A 63 118.687 4.787 7.747 1.00 0.00 O ATOM 0 H TYR A 63 117.207 0.054 3.297 1.00 0.00 H new ATOM 0 HA TYR A 63 119.464 -0.320 4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.532 -0.373 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 63 117.527 -1.090 6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.050 2.043 4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 63 118.703 0.286 8.075 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.552 4.279 5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 63 119.205 2.522 8.957 1.00 0.00 H new ATOM 0 HH TYR A 63 119.111 4.704 8.627 1.00 0.00 H new ATOM 814 N THR A 64 118.034 -3.156 4.079 1.00 0.00 N ATOM 815 CA THR A 64 118.199 -4.603 4.136 1.00 0.00 C ATOM 816 C THR A 64 119.673 -4.972 3.993 1.00 0.00 C ATOM 817 O THR A 64 120.120 -6.003 4.496 1.00 0.00 O ATOM 818 CB THR A 64 117.380 -5.277 3.034 1.00 0.00 C ATOM 819 OG1 THR A 64 116.010 -4.931 3.143 1.00 0.00 O ATOM 820 CG2 THR A 64 117.476 -6.788 3.057 1.00 0.00 C ATOM 0 H THR A 64 117.312 -2.838 3.433 1.00 0.00 H new ATOM 0 HA THR A 64 117.840 -4.955 5.103 1.00 0.00 H new ATOM 0 HB THR A 64 117.804 -4.916 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 64 115.504 -5.371 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 64 116.872 -7.203 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 64 118.515 -7.089 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 64 117.110 -7.161 4.013 1.00 0.00 H new ATOM 828 N GLY A 65 120.425 -4.112 3.307 1.00 0.00 N ATOM 829 CA GLY A 65 121.843 -4.352 3.117 1.00 0.00 C ATOM 830 C GLY A 65 122.709 -3.384 3.905 1.00 0.00 C ATOM 831 O GLY A 65 123.926 -3.554 3.979 1.00 0.00 O ATOM 0 H GLY A 65 120.075 -3.254 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 65 122.079 -5.373 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 65 122.083 -4.269 2.057 1.00 0.00 H new ATOM 835 N ILE A 66 122.085 -2.365 4.496 1.00 0.00 N ATOM 836 CA ILE A 66 122.811 -1.375 5.278 1.00 0.00 C ATOM 837 C ILE A 66 122.674 -1.644 6.774 1.00 0.00 C ATOM 838 O ILE A 66 123.417 -1.086 7.581 1.00 0.00 O ATOM 839 CB ILE A 66 122.312 0.051 4.981 1.00 0.00 C ATOM 840 CG1 ILE A 66 122.047 0.229 3.484 1.00 0.00 C ATOM 841 CG2 ILE A 66 123.321 1.080 5.469 1.00 0.00 C ATOM 842 CD1 ILE A 66 121.374 1.539 3.140 1.00 0.00 C ATOM 0 H ILE A 66 121.079 -2.207 4.446 1.00 0.00 H new ATOM 0 HA ILE A 66 123.859 -1.455 4.991 1.00 0.00 H new ATOM 0 HB ILE A 66 121.375 0.205 5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 66 122.993 0.164 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 66 121.423 -0.593 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 66 122.953 2.082 5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 66 123.461 0.971 6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 66 124.273 0.925 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 66 121.218 1.596 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 66 120.412 1.599 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 66 122.006 2.368 3.459 1.00 0.00 H new ATOM 854 N PHE A 67 121.718 -2.500 7.143 1.00 0.00 N ATOM 855 CA PHE A 67 121.485 -2.842 8.546 1.00 0.00 C ATOM 856 C PHE A 67 122.804 -3.040 9.291 1.00 0.00 C ATOM 857 O PHE A 67 122.905 -2.753 10.484 1.00 0.00 O ATOM 858 CB PHE A 67 120.629 -4.107 8.648 1.00 0.00 C ATOM 859 CG PHE A 67 119.314 -3.888 9.341 1.00 0.00 C ATOM 860 CD1 PHE A 67 118.202 -3.469 8.627 1.00 0.00 C ATOM 861 CD2 PHE A 67 119.190 -4.102 10.704 1.00 0.00 C ATOM 862 CE1 PHE A 67 116.991 -3.267 9.262 1.00 0.00 C ATOM 863 CE2 PHE A 67 117.982 -3.902 11.344 1.00 0.00 C ATOM 864 CZ PHE A 67 116.881 -3.483 10.622 1.00 0.00 C ATOM 0 H PHE A 67 121.093 -2.969 6.488 1.00 0.00 H new ATOM 0 HA PHE A 67 120.953 -2.012 9.011 1.00 0.00 H new ATOM 0 HB2 PHE A 67 120.442 -4.491 7.645 1.00 0.00 H new ATOM 0 HB3 PHE A 67 121.190 -4.873 9.184 1.00 0.00 H new ATOM 0 HD1 PHE A 67 118.283 -3.299 7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 67 120.048 -4.429 11.273 1.00 0.00 H new ATOM 0 HE1 PHE A 67 116.131 -2.941 8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 67 117.898 -4.073 12.407 1.00 0.00 H new ATOM 0 HZ PHE A 67 115.936 -3.325 11.120 1.00 0.00 H new ATOM 874 N THR A 68 123.812 -3.526 8.574 1.00 0.00 N ATOM 875 CA THR A 68 125.127 -3.753 9.160 1.00 0.00 C ATOM 876 C THR A 68 126.093 -2.642 8.759 1.00 0.00 C ATOM 877 O THR A 68 127.045 -2.345 9.481 1.00 0.00 O ATOM 878 CB THR A 68 125.679 -5.110 8.722 1.00 0.00 C ATOM 879 OG1 THR A 68 124.639 -6.068 8.629 1.00 0.00 O ATOM 880 CG2 THR A 68 126.727 -5.661 9.664 1.00 0.00 C ATOM 0 H THR A 68 123.743 -3.770 7.586 1.00 0.00 H new ATOM 0 HA THR A 68 125.022 -3.749 10.245 1.00 0.00 H new ATOM 0 HB THR A 68 126.142 -4.934 7.751 1.00 0.00 H new ATOM 0 HG1 THR A 68 125.012 -6.929 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 68 127.077 -6.625 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 68 127.566 -4.968 9.720 1.00 0.00 H new ATOM 0 HG23 THR A 68 126.294 -5.788 10.656 1.00 0.00 H new ATOM 888 N ASP A 69 125.837 -2.026 7.609 1.00 0.00 N ATOM 889 CA ASP A 69 126.682 -0.944 7.121 1.00 0.00 C ATOM 890 C ASP A 69 126.492 0.305 7.974 1.00 0.00 C ATOM 891 O ASP A 69 127.446 1.031 8.253 1.00 0.00 O ATOM 892 CB ASP A 69 126.361 -0.632 5.659 1.00 0.00 C ATOM 893 CG ASP A 69 127.596 -0.267 4.860 1.00 0.00 C ATOM 894 OD1 ASP A 69 128.388 -1.178 4.539 1.00 0.00 O ATOM 895 OD2 ASP A 69 127.773 0.932 4.555 1.00 0.00 O ATOM 0 H ASP A 69 125.053 -2.258 7.000 1.00 0.00 H new ATOM 0 HA ASP A 69 127.722 -1.263 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 69 125.880 -1.497 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 69 125.647 0.190 5.614 1.00 0.00 H new ATOM 900 N GLN A 70 125.253 0.543 8.392 1.00 0.00 N ATOM 901 CA GLN A 70 124.937 1.697 9.223 1.00 0.00 C ATOM 902 C GLN A 70 125.618 1.582 10.582 1.00 0.00 C ATOM 903 O GLN A 70 125.958 2.588 11.205 1.00 0.00 O ATOM 904 CB GLN A 70 123.422 1.823 9.405 1.00 0.00 C ATOM 905 CG GLN A 70 122.941 3.259 9.518 1.00 0.00 C ATOM 906 CD GLN A 70 123.257 4.079 8.282 1.00 0.00 C ATOM 907 OE1 GLN A 70 123.336 3.548 7.174 1.00 0.00 O ATOM 908 NE2 GLN A 70 123.440 5.382 8.467 1.00 0.00 N ATOM 0 H GLN A 70 124.452 -0.048 8.169 1.00 0.00 H new ATOM 0 HA GLN A 70 125.308 2.591 8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 70 122.922 1.346 8.562 1.00 0.00 H new ATOM 0 HB3 GLN A 70 123.125 1.278 10.301 1.00 0.00 H new ATOM 0 HG2 GLN A 70 121.864 3.265 9.688 1.00 0.00 H new ATOM 0 HG3 GLN A 70 123.404 3.726 10.387 1.00 0.00 H new ATOM 0 HE21 GLN A 70 123.365 5.780 9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 70 123.655 5.985 7.673 1.00 0.00 H new ATOM 917 N VAL A 71 125.817 0.347 11.035 1.00 0.00 N ATOM 918 CA VAL A 71 126.459 0.096 12.316 1.00 0.00 C ATOM 919 C VAL A 71 127.977 0.153 12.182 1.00 0.00 C ATOM 920 O VAL A 71 128.662 0.754 13.010 1.00 0.00 O ATOM 921 CB VAL A 71 126.048 -1.278 12.875 1.00 0.00 C ATOM 922 CG1 VAL A 71 126.759 -1.567 14.191 1.00 0.00 C ATOM 923 CG2 VAL A 71 124.539 -1.351 13.051 1.00 0.00 C ATOM 0 H VAL A 71 125.541 -0.495 10.530 1.00 0.00 H new ATOM 0 HA VAL A 71 126.132 0.874 13.006 1.00 0.00 H new ATOM 0 HB VAL A 71 126.349 -2.041 12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 71 126.451 -2.544 14.564 1.00 0.00 H new ATOM 0 HG12 VAL A 71 127.837 -1.564 14.030 1.00 0.00 H new ATOM 0 HG13 VAL A 71 126.498 -0.801 14.921 1.00 0.00 H new ATOM 0 HG21 VAL A 71 124.266 -2.329 13.447 1.00 0.00 H new ATOM 0 HG22 VAL A 71 124.216 -0.575 13.745 1.00 0.00 H new ATOM 0 HG23 VAL A 71 124.053 -1.201 12.087 1.00 0.00 H new ATOM 933 N LEU A 72 128.495 -0.475 11.132 1.00 0.00 N ATOM 934 CA LEU A 72 129.932 -0.497 10.885 1.00 0.00 C ATOM 935 C LEU A 72 130.471 0.919 10.698 1.00 0.00 C ATOM 936 O LEU A 72 131.634 1.195 10.994 1.00 0.00 O ATOM 937 CB LEU A 72 130.247 -1.344 9.650 1.00 0.00 C ATOM 938 CG LEU A 72 130.636 -2.794 9.943 1.00 0.00 C ATOM 939 CD1 LEU A 72 129.396 -3.659 10.102 1.00 0.00 C ATOM 940 CD2 LEU A 72 131.529 -3.337 8.838 1.00 0.00 C ATOM 0 H LEU A 72 127.941 -0.976 10.438 1.00 0.00 H new ATOM 0 HA LEU A 72 130.419 -0.941 11.753 1.00 0.00 H new ATOM 0 HB2 LEU A 72 129.376 -1.343 8.995 1.00 0.00 H new ATOM 0 HB3 LEU A 72 131.060 -0.870 9.100 1.00 0.00 H new ATOM 0 HG LEU A 72 131.192 -2.819 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 72 129.694 -4.687 10.310 1.00 0.00 H new ATOM 0 HD12 LEU A 72 128.793 -3.282 10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 72 128.811 -3.629 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 72 131.797 -4.370 9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 72 130.997 -3.298 7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 72 132.434 -2.733 8.772 1.00 0.00 H new ATOM 952 N SER A 73 129.618 1.813 10.209 1.00 0.00 N ATOM 953 CA SER A 73 130.010 3.200 9.985 1.00 0.00 C ATOM 954 C SER A 73 130.027 3.977 11.296 1.00 0.00 C ATOM 955 O SER A 73 130.731 4.979 11.425 1.00 0.00 O ATOM 956 CB SER A 73 129.056 3.870 8.996 1.00 0.00 C ATOM 957 OG SER A 73 127.744 3.348 9.117 1.00 0.00 O ATOM 0 H SER A 73 128.651 1.602 9.960 1.00 0.00 H new ATOM 0 HA SER A 73 131.016 3.203 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 73 129.040 4.945 9.173 1.00 0.00 H new ATOM 0 HB3 SER A 73 129.418 3.720 7.979 1.00 0.00 H new ATOM 0 HG SER A 73 127.570 2.725 8.380 1.00 0.00 H new ATOM 963 N VAL A 74 129.250 3.509 12.270 1.00 0.00 N ATOM 964 CA VAL A 74 129.183 4.163 13.571 1.00 0.00 C ATOM 965 C VAL A 74 130.558 4.225 14.215 1.00 0.00 C ATOM 966 O VAL A 74 130.862 5.148 14.967 1.00 0.00 O ATOM 967 CB VAL A 74 128.192 3.448 14.508 1.00 0.00 C ATOM 968 CG1 VAL A 74 128.294 3.983 15.931 1.00 0.00 C ATOM 969 CG2 VAL A 74 126.782 3.607 13.974 1.00 0.00 C ATOM 0 H VAL A 74 128.660 2.682 12.182 1.00 0.00 H new ATOM 0 HA VAL A 74 128.825 5.180 13.408 1.00 0.00 H new ATOM 0 HB VAL A 74 128.445 2.388 14.539 1.00 0.00 H new ATOM 0 HG11 VAL A 74 127.582 3.459 16.569 1.00 0.00 H new ATOM 0 HG12 VAL A 74 129.304 3.824 16.308 1.00 0.00 H new ATOM 0 HG13 VAL A 74 128.068 5.049 15.936 1.00 0.00 H new ATOM 0 HG21 VAL A 74 126.082 3.100 14.638 1.00 0.00 H new ATOM 0 HG22 VAL A 74 126.530 4.666 13.921 1.00 0.00 H new ATOM 0 HG23 VAL A 74 126.719 3.169 12.978 1.00 0.00 H new ATOM 979 N LEU A 75 131.393 3.251 13.893 1.00 0.00 N ATOM 980 CA LEU A 75 132.745 3.212 14.417 1.00 0.00 C ATOM 981 C LEU A 75 133.709 3.838 13.418 1.00 0.00 C ATOM 982 O LEU A 75 134.903 3.536 13.424 1.00 0.00 O ATOM 983 CB LEU A 75 133.162 1.770 14.717 1.00 0.00 C ATOM 984 CG LEU A 75 132.107 0.927 15.436 1.00 0.00 C ATOM 985 CD1 LEU A 75 132.181 -0.522 14.979 1.00 0.00 C ATOM 986 CD2 LEU A 75 132.288 1.022 16.943 1.00 0.00 C ATOM 0 H LEU A 75 131.157 2.478 13.271 1.00 0.00 H new ATOM 0 HA LEU A 75 132.775 3.782 15.346 1.00 0.00 H new ATOM 0 HB2 LEU A 75 133.419 1.279 13.778 1.00 0.00 H new ATOM 0 HB3 LEU A 75 134.066 1.788 15.325 1.00 0.00 H new ATOM 0 HG LEU A 75 131.121 1.317 15.182 1.00 0.00 H new ATOM 0 HD11 LEU A 75 131.424 -1.107 15.501 1.00 0.00 H new ATOM 0 HD12 LEU A 75 132.004 -0.574 13.905 1.00 0.00 H new ATOM 0 HD13 LEU A 75 133.169 -0.924 15.204 1.00 0.00 H new ATOM 0 HD21 LEU A 75 131.530 0.417 17.439 1.00 0.00 H new ATOM 0 HD22 LEU A 75 133.279 0.657 17.214 1.00 0.00 H new ATOM 0 HD23 LEU A 75 132.186 2.061 17.257 1.00 0.00 H new ATOM 998 N LYS A 76 133.183 4.719 12.556 1.00 0.00 N ATOM 999 CA LYS A 76 133.994 5.391 11.546 1.00 0.00 C ATOM 1000 C LYS A 76 133.097 5.996 10.486 1.00 0.00 C ATOM 1001 O LYS A 76 132.705 5.335 9.525 1.00 0.00 O ATOM 1002 CB LYS A 76 134.995 4.430 10.900 1.00 0.00 C ATOM 1003 CG LYS A 76 134.416 3.056 10.602 1.00 0.00 C ATOM 1004 CD LYS A 76 134.959 2.493 9.299 1.00 0.00 C ATOM 1005 CE LYS A 76 134.352 3.192 8.094 1.00 0.00 C ATOM 1006 NZ LYS A 76 135.125 2.928 6.849 1.00 0.00 N ATOM 0 H LYS A 76 132.197 4.980 12.543 1.00 0.00 H new ATOM 0 HA LYS A 76 134.561 6.181 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 76 135.361 4.870 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 76 135.855 4.317 11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 76 134.652 2.375 11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 76 133.329 3.122 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 76 136.043 2.604 9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 76 134.747 1.425 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 76 133.323 2.857 7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 76 134.316 4.266 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 134.678 3.423 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 136.100 3.271 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 135.138 1.906 6.659 1.00 0.00 H new ATOM 1020 N GLY A 77 132.750 7.248 10.702 1.00 0.00 N ATOM 1021 CA GLY A 77 131.864 7.941 9.803 1.00 0.00 C ATOM 1022 C GLY A 77 130.561 8.241 10.500 1.00 0.00 C ATOM 1023 O GLY A 77 129.742 9.019 10.010 1.00 0.00 O ATOM 0 H GLY A 77 133.071 7.803 11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 77 132.327 8.868 9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 77 131.681 7.333 8.917 1.00 0.00 H new ATOM 1027 N GLU A 78 130.377 7.615 11.664 1.00 0.00 N ATOM 1028 CA GLU A 78 129.178 7.813 12.449 1.00 0.00 C ATOM 1029 C GLU A 78 129.429 7.524 13.928 1.00 0.00 C ATOM 1030 O GLU A 78 128.575 6.967 14.617 1.00 0.00 O ATOM 1031 CB GLU A 78 128.045 6.940 11.910 1.00 0.00 C ATOM 1032 CG GLU A 78 126.869 7.736 11.366 1.00 0.00 C ATOM 1033 CD GLU A 78 125.771 7.927 12.392 1.00 0.00 C ATOM 1034 OE1 GLU A 78 125.611 7.046 13.263 1.00 0.00 O ATOM 1035 OE2 GLU A 78 125.068 8.958 12.325 1.00 0.00 O ATOM 0 H GLU A 78 131.049 6.968 12.076 1.00 0.00 H new ATOM 0 HA GLU A 78 128.884 8.859 12.364 1.00 0.00 H new ATOM 0 HB2 GLU A 78 128.436 6.299 11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 78 127.692 6.285 12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 78 127.220 8.711 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 78 126.461 7.225 10.494 1.00 0.00 H new ATOM 1042 N GLU A 79 130.604 7.919 14.409 1.00 0.00 N ATOM 1043 CA GLU A 79 130.966 7.710 15.807 1.00 0.00 C ATOM 1044 C GLU A 79 130.813 9.000 16.607 1.00 0.00 C ATOM 1045 O GLU A 79 130.030 9.002 17.580 1.00 0.00 O ATOM 1046 CB GLU A 79 132.404 7.199 15.913 1.00 0.00 C ATOM 1047 CG GLU A 79 132.623 6.232 17.065 1.00 0.00 C ATOM 1048 CD GLU A 79 134.064 5.772 17.175 1.00 0.00 C ATOM 1049 OE1 GLU A 79 134.967 6.633 17.134 1.00 0.00 O ATOM 1050 OE2 GLU A 79 134.288 4.550 17.301 1.00 0.00 O ATOM 1051 OXT GLU A 79 131.478 9.997 16.254 1.00 0.00 O ATOM 0 H GLU A 79 131.321 8.385 13.852 1.00 0.00 H new ATOM 0 HA GLU A 79 130.291 6.962 16.223 1.00 0.00 H new ATOM 0 HB2 GLU A 79 132.675 6.706 14.979 1.00 0.00 H new ATOM 0 HB3 GLU A 79 133.075 8.050 16.031 1.00 0.00 H new ATOM 0 HG2 GLU A 79 132.326 6.711 17.998 1.00 0.00 H new ATOM 0 HG3 GLU A 79 131.977 5.364 16.933 1.00 0.00 H new TER 1058 GLU A 79