USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 26:sc= 0.278 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 24 SER OG : rot 5:sc= 0.192 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 67:sc= 0.844 USER MOD Single : A 34 GLN : amide:sc= -0.742 K(o=-0.74,f=-2.7!) USER MOD Single : A 35 ASN : amide:sc= -2.95! C(o=-3!,f=-7.4!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.59! USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0101 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 -85:sc= 0.201 USER MOD Single : A 57 THR OG1 : rot -36:sc= 0.236 USER MOD Single : A 60 MET CE :methyl -163:sc= -0.376 (180deg=-1.23) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -80:sc= 1.08 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 70 GLN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 73 SER OG : rot 109:sc= 1.1 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc=-0.00606 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 87.265 -9.261 18.053 1.00 0.00 N ATOM 2 CA THR A 13 87.034 -8.290 19.155 1.00 0.00 C ATOM 3 C THR A 13 85.692 -7.576 19.002 1.00 0.00 C ATOM 4 O THR A 13 85.195 -6.965 19.948 1.00 0.00 O ATOM 5 CB THR A 13 88.177 -7.272 19.153 1.00 0.00 C ATOM 6 OG1 THR A 13 89.432 -7.930 19.123 1.00 0.00 O ATOM 7 CG2 THR A 13 88.166 -6.359 20.358 1.00 0.00 C ATOM 0 HA THR A 13 87.007 -8.829 20.102 1.00 0.00 H new ATOM 0 HB THR A 13 88.026 -6.667 18.259 1.00 0.00 H new ATOM 0 HG1 THR A 13 89.330 -8.810 18.703 1.00 0.00 H new ATOM 0 HG21 THR A 13 89.002 -5.662 20.294 1.00 0.00 H new ATOM 0 HG22 THR A 13 87.230 -5.801 20.383 1.00 0.00 H new ATOM 0 HG23 THR A 13 88.258 -6.954 21.266 1.00 0.00 H new ATOM 15 N PHE A 14 85.110 -7.660 17.806 1.00 0.00 N ATOM 16 CA PHE A 14 83.822 -7.032 17.515 1.00 0.00 C ATOM 17 C PHE A 14 83.902 -5.501 17.539 1.00 0.00 C ATOM 18 O PHE A 14 83.021 -4.824 17.008 1.00 0.00 O ATOM 19 CB PHE A 14 82.771 -7.529 18.505 1.00 0.00 C ATOM 20 CG PHE A 14 81.442 -6.836 18.382 1.00 0.00 C ATOM 21 CD1 PHE A 14 80.528 -7.226 17.414 1.00 0.00 C ATOM 22 CD2 PHE A 14 81.113 -5.787 19.225 1.00 0.00 C ATOM 23 CE1 PHE A 14 79.311 -6.583 17.292 1.00 0.00 C ATOM 24 CE2 PHE A 14 79.898 -5.139 19.106 1.00 0.00 C ATOM 25 CZ PHE A 14 78.996 -5.538 18.138 1.00 0.00 C ATOM 0 H PHE A 14 85.515 -8.162 17.016 1.00 0.00 H new ATOM 0 HA PHE A 14 83.535 -7.318 16.503 1.00 0.00 H new ATOM 0 HB2 PHE A 14 82.626 -8.599 18.359 1.00 0.00 H new ATOM 0 HB3 PHE A 14 83.148 -7.393 19.519 1.00 0.00 H new ATOM 0 HD1 PHE A 14 80.770 -8.041 16.748 1.00 0.00 H new ATOM 0 HD2 PHE A 14 81.814 -5.472 19.984 1.00 0.00 H new ATOM 0 HE1 PHE A 14 78.607 -6.897 16.536 1.00 0.00 H new ATOM 0 HE2 PHE A 14 79.654 -4.322 19.769 1.00 0.00 H new ATOM 0 HZ PHE A 14 78.046 -5.033 18.043 1.00 0.00 H new ATOM 35 N LEU A 15 84.954 -4.954 18.145 1.00 0.00 N ATOM 36 CA LEU A 15 85.126 -3.508 18.220 1.00 0.00 C ATOM 37 C LEU A 15 86.081 -3.022 17.134 1.00 0.00 C ATOM 38 O LEU A 15 85.834 -2.007 16.483 1.00 0.00 O ATOM 39 CB LEU A 15 85.654 -3.110 19.599 1.00 0.00 C ATOM 40 CG LEU A 15 84.871 -3.687 20.780 1.00 0.00 C ATOM 41 CD1 LEU A 15 85.548 -3.336 22.096 1.00 0.00 C ATOM 42 CD2 LEU A 15 83.437 -3.180 20.763 1.00 0.00 C ATOM 0 H LEU A 15 85.698 -5.491 18.590 1.00 0.00 H new ATOM 0 HA LEU A 15 84.155 -3.038 18.062 1.00 0.00 H new ATOM 0 HB2 LEU A 15 86.693 -3.429 19.680 1.00 0.00 H new ATOM 0 HB3 LEU A 15 85.648 -2.023 19.674 1.00 0.00 H new ATOM 0 HG LEU A 15 84.855 -4.773 20.685 1.00 0.00 H new ATOM 0 HD11 LEU A 15 84.975 -3.756 22.923 1.00 0.00 H new ATOM 0 HD12 LEU A 15 86.557 -3.748 22.107 1.00 0.00 H new ATOM 0 HD13 LEU A 15 85.597 -2.252 22.202 1.00 0.00 H new ATOM 0 HD21 LEU A 15 82.893 -3.599 21.609 1.00 0.00 H new ATOM 0 HD22 LEU A 15 83.435 -2.092 20.833 1.00 0.00 H new ATOM 0 HD23 LEU A 15 82.954 -3.485 19.834 1.00 0.00 H new ATOM 54 N THR A 16 87.170 -3.760 16.941 1.00 0.00 N ATOM 55 CA THR A 16 88.163 -3.410 15.932 1.00 0.00 C ATOM 56 C THR A 16 87.581 -3.540 14.528 1.00 0.00 C ATOM 57 O THR A 16 87.974 -2.816 13.613 1.00 0.00 O ATOM 58 CB THR A 16 89.392 -4.310 16.068 1.00 0.00 C ATOM 59 OG1 THR A 16 89.834 -4.355 17.413 1.00 0.00 O ATOM 60 CG2 THR A 16 90.560 -3.862 15.215 1.00 0.00 C ATOM 0 H THR A 16 87.387 -4.604 17.471 1.00 0.00 H new ATOM 0 HA THR A 16 88.457 -2.372 16.091 1.00 0.00 H new ATOM 0 HB THR A 16 89.069 -5.293 15.725 1.00 0.00 H new ATOM 0 HG1 THR A 16 90.620 -4.937 17.480 1.00 0.00 H new ATOM 0 HG21 THR A 16 91.398 -4.544 15.359 1.00 0.00 H new ATOM 0 HG22 THR A 16 90.266 -3.865 14.165 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.858 -2.855 15.506 1.00 0.00 H new ATOM 68 N GLN A 17 86.648 -4.473 14.365 1.00 0.00 N ATOM 69 CA GLN A 17 86.015 -4.701 13.072 1.00 0.00 C ATOM 70 C GLN A 17 85.309 -3.444 12.575 1.00 0.00 C ATOM 71 O GLN A 17 85.468 -3.049 11.421 1.00 0.00 O ATOM 72 CB GLN A 17 85.017 -5.859 13.166 1.00 0.00 C ATOM 73 CG GLN A 17 84.821 -6.602 11.854 1.00 0.00 C ATOM 74 CD GLN A 17 85.324 -8.032 11.910 1.00 0.00 C ATOM 75 OE1 GLN A 17 84.575 -8.953 12.233 1.00 0.00 O ATOM 76 NE2 GLN A 17 86.600 -8.223 11.594 1.00 0.00 N ATOM 0 H GLN A 17 86.314 -5.082 15.112 1.00 0.00 H new ATOM 0 HA GLN A 17 86.796 -4.959 12.357 1.00 0.00 H new ATOM 0 HB2 GLN A 17 85.360 -6.563 13.925 1.00 0.00 H new ATOM 0 HB3 GLN A 17 84.055 -5.472 13.502 1.00 0.00 H new ATOM 0 HG2 GLN A 17 83.762 -6.604 11.597 1.00 0.00 H new ATOM 0 HG3 GLN A 17 85.341 -6.069 11.058 1.00 0.00 H new ATOM 0 HE21 GLN A 17 87.185 -7.429 11.332 1.00 0.00 H new ATOM 0 HE22 GLN A 17 86.995 -9.163 11.613 1.00 0.00 H new ATOM 85 N VAL A 18 84.530 -2.817 13.452 1.00 0.00 N ATOM 86 CA VAL A 18 83.801 -1.605 13.097 1.00 0.00 C ATOM 87 C VAL A 18 84.754 -0.514 12.623 1.00 0.00 C ATOM 88 O VAL A 18 84.440 0.245 11.706 1.00 0.00 O ATOM 89 CB VAL A 18 82.978 -1.075 14.287 1.00 0.00 C ATOM 90 CG1 VAL A 18 82.183 0.162 13.887 1.00 0.00 C ATOM 91 CG2 VAL A 18 82.055 -2.161 14.819 1.00 0.00 C ATOM 0 H VAL A 18 84.388 -3.129 14.413 1.00 0.00 H new ATOM 0 HA VAL A 18 83.121 -1.868 12.286 1.00 0.00 H new ATOM 0 HB VAL A 18 83.667 -0.790 15.082 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.610 0.519 14.743 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.868 0.944 13.558 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.502 -0.090 13.074 1.00 0.00 H new ATOM 0 HG21 VAL A 18 81.481 -1.771 15.659 1.00 0.00 H new ATOM 0 HG22 VAL A 18 81.374 -2.478 14.030 1.00 0.00 H new ATOM 0 HG23 VAL A 18 82.649 -3.013 15.150 1.00 0.00 H new ATOM 101 N LYS A 19 85.924 -0.449 13.247 1.00 0.00 N ATOM 102 CA LYS A 19 86.930 0.542 12.887 1.00 0.00 C ATOM 103 C LYS A 19 87.420 0.304 11.470 1.00 0.00 C ATOM 104 O LYS A 19 87.276 1.157 10.595 1.00 0.00 O ATOM 105 CB LYS A 19 88.107 0.473 13.854 1.00 0.00 C ATOM 106 CG LYS A 19 88.597 1.835 14.315 1.00 0.00 C ATOM 107 CD LYS A 19 89.600 1.714 15.450 1.00 0.00 C ATOM 108 CE LYS A 19 90.963 1.267 14.944 1.00 0.00 C ATOM 109 NZ LYS A 19 91.547 0.196 15.799 1.00 0.00 N ATOM 0 H LYS A 19 86.200 -1.072 14.006 1.00 0.00 H new ATOM 0 HA LYS A 19 86.476 1.531 12.946 1.00 0.00 H new ATOM 0 HB2 LYS A 19 87.816 -0.113 14.726 1.00 0.00 H new ATOM 0 HB3 LYS A 19 88.930 -0.056 13.374 1.00 0.00 H new ATOM 0 HG2 LYS A 19 89.056 2.360 13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 19 87.748 2.436 14.641 1.00 0.00 H new ATOM 0 HD2 LYS A 19 89.696 2.675 15.956 1.00 0.00 H new ATOM 0 HD3 LYS A 19 89.232 1.000 16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 19 90.870 0.904 13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 19 91.639 2.121 14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 92.475 -0.082 15.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 91.660 0.550 16.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 90.914 -0.629 15.803 1.00 0.00 H new ATOM 123 N GLU A 20 87.992 -0.875 11.253 1.00 0.00 N ATOM 124 CA GLU A 20 88.496 -1.247 9.937 1.00 0.00 C ATOM 125 C GLU A 20 87.388 -1.138 8.896 1.00 0.00 C ATOM 126 O GLU A 20 87.654 -1.028 7.699 1.00 0.00 O ATOM 127 CB GLU A 20 89.052 -2.671 9.959 1.00 0.00 C ATOM 128 CG GLU A 20 90.213 -2.859 10.923 1.00 0.00 C ATOM 129 CD GLU A 20 91.398 -3.555 10.281 1.00 0.00 C ATOM 130 OE1 GLU A 20 92.063 -2.931 9.429 1.00 0.00 O ATOM 131 OE2 GLU A 20 91.658 -4.726 10.631 1.00 0.00 O ATOM 0 H GLU A 20 88.118 -1.589 11.971 1.00 0.00 H new ATOM 0 HA GLU A 20 89.300 -0.561 9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.252 -3.360 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 20 89.378 -2.940 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 20 90.528 -1.886 11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 20 89.877 -3.440 11.782 1.00 0.00 H new ATOM 138 N SER A 21 86.142 -1.166 9.364 1.00 0.00 N ATOM 139 CA SER A 21 84.992 -1.066 8.485 1.00 0.00 C ATOM 140 C SER A 21 84.825 0.359 7.973 1.00 0.00 C ATOM 141 O SER A 21 84.818 0.600 6.766 1.00 0.00 O ATOM 142 CB SER A 21 83.742 -1.507 9.239 1.00 0.00 C ATOM 143 OG SER A 21 82.981 -2.429 8.479 1.00 0.00 O ATOM 0 H SER A 21 85.908 -1.258 10.353 1.00 0.00 H new ATOM 0 HA SER A 21 85.146 -1.716 7.624 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.028 -1.963 10.187 1.00 0.00 H new ATOM 0 HB3 SER A 21 83.131 -0.636 9.476 1.00 0.00 H new ATOM 0 HG SER A 21 82.187 -2.696 8.988 1.00 0.00 H new ATOM 149 N LEU A 22 84.700 1.301 8.900 1.00 0.00 N ATOM 150 CA LEU A 22 84.546 2.704 8.540 1.00 0.00 C ATOM 151 C LEU A 22 85.832 3.232 7.916 1.00 0.00 C ATOM 152 O LEU A 22 85.802 4.118 7.062 1.00 0.00 O ATOM 153 CB LEU A 22 84.172 3.537 9.769 1.00 0.00 C ATOM 154 CG LEU A 22 83.093 4.596 9.532 1.00 0.00 C ATOM 155 CD1 LEU A 22 83.620 5.707 8.637 1.00 0.00 C ATOM 156 CD2 LEU A 22 81.852 3.965 8.920 1.00 0.00 C ATOM 0 H LEU A 22 84.702 1.119 9.904 1.00 0.00 H new ATOM 0 HA LEU A 22 83.741 2.787 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.831 2.863 10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.070 4.032 10.140 1.00 0.00 H new ATOM 0 HG LEU A 22 82.822 5.029 10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 22 82.838 6.450 8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 22 84.480 6.180 9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 22 83.921 5.289 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.095 4.733 8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 22 82.111 3.504 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 22 81.459 3.205 9.596 1.00 0.00 H new ATOM 168 N SER A 23 86.961 2.675 8.347 1.00 0.00 N ATOM 169 CA SER A 23 88.263 3.082 7.831 1.00 0.00 C ATOM 170 C SER A 23 88.498 2.512 6.440 1.00 0.00 C ATOM 171 O SER A 23 89.178 3.124 5.614 1.00 0.00 O ATOM 172 CB SER A 23 89.378 2.628 8.777 1.00 0.00 C ATOM 173 OG SER A 23 90.422 3.584 8.833 1.00 0.00 O ATOM 0 H SER A 23 86.999 1.940 9.053 1.00 0.00 H new ATOM 0 HA SER A 23 88.274 4.170 7.765 1.00 0.00 H new ATOM 0 HB2 SER A 23 88.970 2.472 9.776 1.00 0.00 H new ATOM 0 HB3 SER A 23 89.776 1.670 8.442 1.00 0.00 H new ATOM 0 HG SER A 23 91.120 3.271 9.445 1.00 0.00 H new ATOM 178 N SER A 24 87.929 1.343 6.180 1.00 0.00 N ATOM 179 CA SER A 24 88.079 0.703 4.883 1.00 0.00 C ATOM 180 C SER A 24 87.244 1.421 3.835 1.00 0.00 C ATOM 181 O SER A 24 87.614 1.477 2.663 1.00 0.00 O ATOM 182 CB SER A 24 87.664 -0.759 4.953 1.00 0.00 C ATOM 183 OG SER A 24 86.395 -0.902 5.567 1.00 0.00 O ATOM 0 H SER A 24 87.362 0.821 6.848 1.00 0.00 H new ATOM 0 HA SER A 24 89.130 0.758 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 24 87.634 -1.180 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 24 88.408 -1.325 5.514 1.00 0.00 H new ATOM 0 HG SER A 24 86.019 -0.016 5.751 1.00 0.00 H new ATOM 189 N TYR A 25 86.118 1.979 4.267 1.00 0.00 N ATOM 190 CA TYR A 25 85.240 2.703 3.374 1.00 0.00 C ATOM 191 C TYR A 25 86.008 3.831 2.705 1.00 0.00 C ATOM 192 O TYR A 25 85.832 4.108 1.519 1.00 0.00 O ATOM 193 CB TYR A 25 84.067 3.252 4.171 1.00 0.00 C ATOM 194 CG TYR A 25 82.724 3.060 3.501 1.00 0.00 C ATOM 195 CD1 TYR A 25 82.334 3.869 2.442 1.00 0.00 C ATOM 196 CD2 TYR A 25 81.848 2.072 3.931 1.00 0.00 C ATOM 197 CE1 TYR A 25 81.107 3.699 1.829 1.00 0.00 C ATOM 198 CE2 TYR A 25 80.619 1.895 3.322 1.00 0.00 C ATOM 199 CZ TYR A 25 80.253 2.710 2.272 1.00 0.00 C ATOM 200 OH TYR A 25 79.031 2.536 1.663 1.00 0.00 O ATOM 0 H TYR A 25 85.797 1.940 5.234 1.00 0.00 H new ATOM 0 HA TYR A 25 84.863 2.036 2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 25 84.047 2.769 5.148 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.226 4.316 4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 25 83.000 4.644 2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 25 82.131 1.432 4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 25 80.818 4.337 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 25 79.949 1.122 3.667 1.00 0.00 H new ATOM 0 HH TYR A 25 78.553 1.797 2.094 1.00 0.00 H new ATOM 210 N TRP A 26 86.880 4.462 3.483 1.00 0.00 N ATOM 211 CA TRP A 26 87.705 5.554 2.985 1.00 0.00 C ATOM 212 C TRP A 26 89.083 5.048 2.568 1.00 0.00 C ATOM 213 O TRP A 26 89.803 5.727 1.836 1.00 0.00 O ATOM 214 CB TRP A 26 87.845 6.644 4.051 1.00 0.00 C ATOM 215 CG TRP A 26 86.534 7.055 4.651 1.00 0.00 C ATOM 216 CD1 TRP A 26 86.118 6.847 5.934 1.00 0.00 C ATOM 217 CD2 TRP A 26 85.463 7.734 3.985 1.00 0.00 C ATOM 218 NE1 TRP A 26 84.852 7.354 6.105 1.00 0.00 N ATOM 219 CE2 TRP A 26 84.430 7.904 4.924 1.00 0.00 C ATOM 220 CE3 TRP A 26 85.277 8.216 2.685 1.00 0.00 C ATOM 221 CZ2 TRP A 26 83.229 8.533 4.606 1.00 0.00 C ATOM 222 CZ3 TRP A 26 84.086 8.839 2.371 1.00 0.00 C ATOM 223 CH2 TRP A 26 83.075 8.993 3.328 1.00 0.00 C ATOM 0 H TRP A 26 87.034 4.234 4.465 1.00 0.00 H new ATOM 0 HA TRP A 26 87.215 5.977 2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 26 88.503 6.286 4.843 1.00 0.00 H new ATOM 0 HB3 TRP A 26 88.324 7.517 3.608 1.00 0.00 H new ATOM 0 HD1 TRP A 26 86.698 6.356 6.702 1.00 0.00 H new ATOM 0 HE1 TRP A 26 84.314 7.325 6.971 1.00 0.00 H new ATOM 0 HE3 TRP A 26 86.051 8.103 1.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 82.448 8.653 5.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 83.931 9.214 1.370 1.00 0.00 H new ATOM 0 HH2 TRP A 26 82.155 9.485 3.050 1.00 0.00 H new ATOM 234 N GLU A 27 89.448 3.850 3.027 1.00 0.00 N ATOM 235 CA GLU A 27 90.743 3.272 2.683 1.00 0.00 C ATOM 236 C GLU A 27 90.896 3.151 1.170 1.00 0.00 C ATOM 237 O GLU A 27 91.966 3.416 0.623 1.00 0.00 O ATOM 238 CB GLU A 27 90.906 1.898 3.336 1.00 0.00 C ATOM 239 CG GLU A 27 92.308 1.326 3.214 1.00 0.00 C ATOM 240 CD GLU A 27 92.615 0.307 4.294 1.00 0.00 C ATOM 241 OE1 GLU A 27 91.978 -0.767 4.294 1.00 0.00 O ATOM 242 OE2 GLU A 27 93.489 0.585 5.141 1.00 0.00 O ATOM 0 H GLU A 27 88.870 3.267 3.632 1.00 0.00 H new ATOM 0 HA GLU A 27 91.521 3.936 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 90.645 1.974 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 27 90.199 1.204 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 27 92.423 0.860 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 27 93.034 2.137 3.267 1.00 0.00 H new ATOM 249 N SER A 28 89.816 2.762 0.500 1.00 0.00 N ATOM 250 CA SER A 28 89.834 2.619 -0.949 1.00 0.00 C ATOM 251 C SER A 28 90.091 3.966 -1.606 1.00 0.00 C ATOM 252 O SER A 28 90.811 4.056 -2.600 1.00 0.00 O ATOM 253 CB SER A 28 88.515 2.026 -1.446 1.00 0.00 C ATOM 254 OG SER A 28 88.185 2.503 -2.740 1.00 0.00 O ATOM 0 H SER A 28 88.921 2.541 0.937 1.00 0.00 H new ATOM 0 HA SER A 28 90.640 1.938 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 28 88.588 0.939 -1.466 1.00 0.00 H new ATOM 0 HB3 SER A 28 87.716 2.279 -0.749 1.00 0.00 H new ATOM 0 HG SER A 28 87.338 2.104 -3.029 1.00 0.00 H new ATOM 260 N ALA A 29 89.517 5.017 -1.029 1.00 0.00 N ATOM 261 CA ALA A 29 89.712 6.360 -1.549 1.00 0.00 C ATOM 262 C ALA A 29 91.185 6.712 -1.476 1.00 0.00 C ATOM 263 O ALA A 29 91.736 7.350 -2.372 1.00 0.00 O ATOM 264 CB ALA A 29 88.878 7.364 -0.767 1.00 0.00 C ATOM 0 H ALA A 29 88.917 4.963 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 29 89.385 6.396 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 29 89.038 8.363 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 29 87.823 7.103 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 29 89.175 7.345 0.282 1.00 0.00 H new ATOM 270 N LYS A 30 91.824 6.253 -0.405 1.00 0.00 N ATOM 271 CA LYS A 30 93.246 6.479 -0.203 1.00 0.00 C ATOM 272 C LYS A 30 94.049 5.566 -1.119 1.00 0.00 C ATOM 273 O LYS A 30 95.164 5.894 -1.523 1.00 0.00 O ATOM 274 CB LYS A 30 93.624 6.222 1.258 1.00 0.00 C ATOM 275 CG LYS A 30 94.129 7.458 1.984 1.00 0.00 C ATOM 276 CD LYS A 30 94.710 7.105 3.343 1.00 0.00 C ATOM 277 CE LYS A 30 94.977 8.347 4.176 1.00 0.00 C ATOM 278 NZ LYS A 30 95.742 8.033 5.415 1.00 0.00 N ATOM 0 H LYS A 30 91.374 5.720 0.339 1.00 0.00 H new ATOM 0 HA LYS A 30 93.475 7.517 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 30 92.754 5.831 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 30 94.393 5.450 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 30 94.889 7.952 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 30 93.311 8.167 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 30 94.020 6.450 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 30 95.638 6.549 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 30 95.533 9.071 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 30 94.030 8.815 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 95.903 8.907 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 95.201 7.362 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 96.657 7.610 5.160 1.00 0.00 H new ATOM 292 N THR A 31 93.462 4.418 -1.452 1.00 0.00 N ATOM 293 CA THR A 31 94.105 3.458 -2.329 1.00 0.00 C ATOM 294 C THR A 31 94.097 3.970 -3.764 1.00 0.00 C ATOM 295 O THR A 31 95.150 4.170 -4.369 1.00 0.00 O ATOM 296 CB THR A 31 93.381 2.117 -2.247 1.00 0.00 C ATOM 297 OG1 THR A 31 93.488 1.568 -0.946 1.00 0.00 O ATOM 298 CG2 THR A 31 93.907 1.093 -3.221 1.00 0.00 C ATOM 0 H THR A 31 92.539 4.135 -1.123 1.00 0.00 H new ATOM 0 HA THR A 31 95.139 3.324 -2.011 1.00 0.00 H new ATOM 0 HB THR A 31 92.343 2.334 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 31 92.996 2.131 -0.312 1.00 0.00 H new ATOM 0 HG21 THR A 31 93.348 0.164 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 31 93.791 1.466 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 31 94.962 0.908 -3.020 1.00 0.00 H new ATOM 306 N ALA A 32 92.899 4.197 -4.300 1.00 0.00 N ATOM 307 CA ALA A 32 92.760 4.707 -5.657 1.00 0.00 C ATOM 308 C ALA A 32 93.521 6.015 -5.799 1.00 0.00 C ATOM 309 O ALA A 32 93.945 6.390 -6.893 1.00 0.00 O ATOM 310 CB ALA A 32 91.291 4.895 -6.009 1.00 0.00 C ATOM 0 H ALA A 32 92.016 4.036 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 32 93.182 3.981 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 32 91.207 5.277 -7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 32 90.774 3.938 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 32 90.839 5.605 -5.317 1.00 0.00 H new ATOM 316 N ALA A 33 93.712 6.693 -4.674 1.00 0.00 N ATOM 317 CA ALA A 33 94.445 7.947 -4.660 1.00 0.00 C ATOM 318 C ALA A 33 95.930 7.675 -4.850 1.00 0.00 C ATOM 319 O ALA A 33 96.641 8.462 -5.473 1.00 0.00 O ATOM 320 CB ALA A 33 94.198 8.693 -3.358 1.00 0.00 C ATOM 0 H ALA A 33 93.369 6.394 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 33 94.094 8.574 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 33 94.755 9.630 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 33 93.134 8.904 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 33 94.529 8.080 -2.519 1.00 0.00 H new ATOM 326 N GLN A 34 96.387 6.544 -4.314 1.00 0.00 N ATOM 327 CA GLN A 34 97.788 6.151 -4.426 1.00 0.00 C ATOM 328 C GLN A 34 98.252 6.206 -5.878 1.00 0.00 C ATOM 329 O GLN A 34 99.367 6.635 -6.168 1.00 0.00 O ATOM 330 CB GLN A 34 97.988 4.740 -3.869 1.00 0.00 C ATOM 331 CG GLN A 34 99.348 4.528 -3.220 1.00 0.00 C ATOM 332 CD GLN A 34 99.539 5.369 -1.974 1.00 0.00 C ATOM 333 OE1 GLN A 34 99.805 6.568 -2.054 1.00 0.00 O ATOM 334 NE2 GLN A 34 99.406 4.742 -0.810 1.00 0.00 N ATOM 0 H GLN A 34 95.805 5.884 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 34 98.386 6.853 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 34 97.209 4.534 -3.135 1.00 0.00 H new ATOM 0 HB3 GLN A 34 97.864 4.019 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 34 99.463 3.475 -2.964 1.00 0.00 H new ATOM 0 HG3 GLN A 34 100.131 4.769 -3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 34 99.185 3.746 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 34 99.525 5.256 0.063 1.00 0.00 H new ATOM 343 N ASN A 35 97.385 5.772 -6.788 1.00 0.00 N ATOM 344 CA ASN A 35 97.697 5.774 -8.206 1.00 0.00 C ATOM 345 C ASN A 35 98.029 7.180 -8.694 1.00 0.00 C ATOM 346 O ASN A 35 99.073 7.413 -9.299 1.00 0.00 O ATOM 347 CB ASN A 35 96.502 5.225 -8.973 1.00 0.00 C ATOM 348 CG ASN A 35 96.907 4.341 -10.136 1.00 0.00 C ATOM 349 OD1 ASN A 35 97.938 4.565 -10.772 1.00 0.00 O ATOM 350 ND2 ASN A 35 96.089 3.335 -10.427 1.00 0.00 N ATOM 0 H ASN A 35 96.457 5.413 -6.563 1.00 0.00 H new ATOM 0 HA ASN A 35 98.572 5.147 -8.377 1.00 0.00 H new ATOM 0 HB2 ASN A 35 95.870 4.655 -8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 35 95.902 6.055 -9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 35 96.305 2.711 -11.204 1.00 0.00 H new ATOM 0 HD22 ASN A 35 95.246 3.187 -9.873 1.00 0.00 H new ATOM 357 N LEU A 36 97.122 8.111 -8.440 1.00 0.00 N ATOM 358 CA LEU A 36 97.294 9.484 -8.860 1.00 0.00 C ATOM 359 C LEU A 36 98.268 10.240 -7.958 1.00 0.00 C ATOM 360 O LEU A 36 98.820 11.265 -8.359 1.00 0.00 O ATOM 361 CB LEU A 36 95.930 10.154 -8.835 1.00 0.00 C ATOM 362 CG LEU A 36 95.459 10.733 -10.171 1.00 0.00 C ATOM 363 CD1 LEU A 36 95.166 9.616 -11.161 1.00 0.00 C ATOM 364 CD2 LEU A 36 94.231 11.609 -9.968 1.00 0.00 C ATOM 0 H LEU A 36 96.252 7.932 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 36 97.718 9.499 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 36 95.193 9.427 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 36 95.952 10.957 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 36 96.257 11.352 -10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 36 94.832 10.045 -12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 36 96.071 9.031 -11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 36 94.385 8.970 -10.760 1.00 0.00 H new ATOM 0 HD21 LEU A 36 93.909 12.013 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 36 93.426 11.013 -9.537 1.00 0.00 H new ATOM 0 HD23 LEU A 36 94.477 12.429 -9.294 1.00 0.00 H new ATOM 376 N TYR A 37 98.464 9.749 -6.736 1.00 0.00 N ATOM 377 CA TYR A 37 99.359 10.419 -5.785 1.00 0.00 C ATOM 378 C TYR A 37 100.741 9.772 -5.720 1.00 0.00 C ATOM 379 O TYR A 37 101.642 10.294 -5.066 1.00 0.00 O ATOM 380 CB TYR A 37 98.731 10.445 -4.389 1.00 0.00 C ATOM 381 CG TYR A 37 98.204 11.808 -4.010 1.00 0.00 C ATOM 382 CD1 TYR A 37 99.070 12.817 -3.607 1.00 0.00 C ATOM 383 CD2 TYR A 37 96.846 12.094 -4.075 1.00 0.00 C ATOM 384 CE1 TYR A 37 98.595 14.072 -3.277 1.00 0.00 C ATOM 385 CE2 TYR A 37 96.365 13.348 -3.750 1.00 0.00 C ATOM 386 CZ TYR A 37 97.243 14.333 -3.350 1.00 0.00 C ATOM 387 OH TYR A 37 96.768 15.581 -3.023 1.00 0.00 O ATOM 0 H TYR A 37 98.023 8.901 -6.381 1.00 0.00 H new ATOM 0 HA TYR A 37 99.495 11.438 -6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 37 97.917 9.721 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 37 99.474 10.131 -3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 37 100.130 12.618 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 37 96.155 11.324 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 37 99.280 14.846 -2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 37 95.307 13.555 -3.809 1.00 0.00 H new ATOM 0 HH TYR A 37 95.794 15.598 -3.129 1.00 0.00 H new ATOM 397 N GLU A 38 100.910 8.641 -6.391 1.00 0.00 N ATOM 398 CA GLU A 38 102.199 7.948 -6.385 1.00 0.00 C ATOM 399 C GLU A 38 102.363 7.012 -7.587 1.00 0.00 C ATOM 400 O GLU A 38 103.481 6.618 -7.919 1.00 0.00 O ATOM 401 CB GLU A 38 102.366 7.162 -5.082 1.00 0.00 C ATOM 402 CG GLU A 38 103.186 7.892 -4.029 1.00 0.00 C ATOM 403 CD GLU A 38 103.337 7.099 -2.745 1.00 0.00 C ATOM 404 OE1 GLU A 38 102.415 7.150 -1.905 1.00 0.00 O ATOM 405 OE2 GLU A 38 104.378 6.428 -2.581 1.00 0.00 O ATOM 0 H GLU A 38 100.183 8.185 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 38 102.976 8.709 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 38 101.380 6.940 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 38 102.842 6.207 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 38 104.174 8.111 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 38 102.713 8.848 -3.806 1.00 0.00 H new ATOM 412 N LYS A 39 101.259 6.656 -8.238 1.00 0.00 N ATOM 413 CA LYS A 39 101.308 5.769 -9.397 1.00 0.00 C ATOM 414 C LYS A 39 101.780 4.370 -9.006 1.00 0.00 C ATOM 415 O LYS A 39 102.097 3.552 -9.870 1.00 0.00 O ATOM 416 CB LYS A 39 102.230 6.355 -10.467 1.00 0.00 C ATOM 417 CG LYS A 39 101.492 6.934 -11.665 1.00 0.00 C ATOM 418 CD LYS A 39 102.413 7.801 -12.512 1.00 0.00 C ATOM 419 CE LYS A 39 101.744 8.241 -13.804 1.00 0.00 C ATOM 420 NZ LYS A 39 102.601 9.184 -14.576 1.00 0.00 N ATOM 0 H LYS A 39 100.321 6.967 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 39 100.299 5.683 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 39 102.842 7.137 -10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 39 102.910 5.577 -10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 39 101.089 6.124 -12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 39 100.644 7.527 -11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 39 102.712 8.679 -11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.322 7.247 -12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.523 7.366 -14.416 1.00 0.00 H new ATOM 0 HE3 LYS A 39 100.791 8.719 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 102.111 9.462 -15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.791 10.030 -14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 103.500 8.719 -14.815 1.00 0.00 H new ATOM 434 N THR A 40 101.815 4.091 -7.705 1.00 0.00 N ATOM 435 CA THR A 40 102.233 2.785 -7.222 1.00 0.00 C ATOM 436 C THR A 40 101.146 1.757 -7.496 1.00 0.00 C ATOM 437 O THR A 40 101.427 0.596 -7.791 1.00 0.00 O ATOM 438 CB THR A 40 102.535 2.843 -5.726 1.00 0.00 C ATOM 439 OG1 THR A 40 103.113 4.088 -5.378 1.00 0.00 O ATOM 440 CG2 THR A 40 103.476 1.756 -5.268 1.00 0.00 C ATOM 0 H THR A 40 101.559 4.752 -6.971 1.00 0.00 H new ATOM 0 HA THR A 40 103.141 2.491 -7.749 1.00 0.00 H new ATOM 0 HB THR A 40 101.574 2.704 -5.230 1.00 0.00 H new ATOM 0 HG1 THR A 40 103.297 4.106 -4.416 1.00 0.00 H new ATOM 0 HG21 THR A 40 103.650 1.853 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 40 103.035 0.781 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 40 104.424 1.847 -5.799 1.00 0.00 H new ATOM 448 N TYR A 41 99.897 2.204 -7.405 1.00 0.00 N ATOM 449 CA TYR A 41 98.749 1.345 -7.646 1.00 0.00 C ATOM 450 C TYR A 41 98.816 0.704 -9.033 1.00 0.00 C ATOM 451 O TYR A 41 98.165 -0.309 -9.290 1.00 0.00 O ATOM 452 CB TYR A 41 97.464 2.159 -7.494 1.00 0.00 C ATOM 453 CG TYR A 41 96.302 1.362 -6.940 1.00 0.00 C ATOM 454 CD1 TYR A 41 96.484 0.457 -5.901 1.00 0.00 C ATOM 455 CD2 TYR A 41 95.024 1.511 -7.462 1.00 0.00 C ATOM 456 CE1 TYR A 41 95.426 -0.277 -5.401 1.00 0.00 C ATOM 457 CE2 TYR A 41 93.961 0.783 -6.967 1.00 0.00 C ATOM 458 CZ TYR A 41 94.166 -0.111 -5.937 1.00 0.00 C ATOM 459 OH TYR A 41 93.109 -0.843 -5.439 1.00 0.00 O ATOM 0 H TYR A 41 99.656 3.165 -7.164 1.00 0.00 H new ATOM 0 HA TYR A 41 98.757 0.539 -6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 41 97.657 3.008 -6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 41 97.184 2.565 -8.466 1.00 0.00 H new ATOM 0 HD1 TYR A 41 97.469 0.325 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 41 94.859 2.209 -8.270 1.00 0.00 H new ATOM 0 HE1 TYR A 41 95.585 -0.977 -4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 41 92.973 0.913 -7.384 1.00 0.00 H new ATOM 0 HH TYR A 41 92.291 -0.608 -5.924 1.00 0.00 H new ATOM 469 N LEU A 42 99.608 1.297 -9.925 1.00 0.00 N ATOM 470 CA LEU A 42 99.764 0.773 -11.278 1.00 0.00 C ATOM 471 C LEU A 42 100.485 -0.576 -11.247 1.00 0.00 C ATOM 472 O LEU A 42 101.019 -0.976 -10.213 1.00 0.00 O ATOM 473 CB LEU A 42 100.545 1.765 -12.147 1.00 0.00 C ATOM 474 CG LEU A 42 99.690 2.736 -12.965 1.00 0.00 C ATOM 475 CD1 LEU A 42 100.573 3.744 -13.686 1.00 0.00 C ATOM 476 CD2 LEU A 42 98.823 1.981 -13.963 1.00 0.00 C ATOM 0 H LEU A 42 100.150 2.139 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 42 98.773 0.632 -11.709 1.00 0.00 H new ATOM 0 HB2 LEU A 42 101.206 2.344 -11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 101.180 1.201 -12.831 1.00 0.00 H new ATOM 0 HG LEU A 42 99.035 3.274 -12.280 1.00 0.00 H new ATOM 0 HD11 LEU A 42 99.949 4.427 -14.263 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.151 4.310 -12.955 1.00 0.00 H new ATOM 0 HD13 LEU A 42 101.252 3.218 -14.357 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.224 2.690 -14.534 1.00 0.00 H new ATOM 0 HD22 LEU A 42 99.460 1.415 -14.643 1.00 0.00 H new ATOM 0 HD23 LEU A 42 98.164 1.297 -13.428 1.00 0.00 H new ATOM 488 N PRO A 43 100.513 -1.299 -12.381 1.00 0.00 N ATOM 489 CA PRO A 43 101.173 -2.606 -12.467 1.00 0.00 C ATOM 490 C PRO A 43 102.692 -2.502 -12.603 1.00 0.00 C ATOM 491 O PRO A 43 103.293 -3.162 -13.450 1.00 0.00 O ATOM 492 CB PRO A 43 100.562 -3.212 -13.727 1.00 0.00 C ATOM 493 CG PRO A 43 100.252 -2.040 -14.595 1.00 0.00 C ATOM 494 CD PRO A 43 99.902 -0.905 -13.667 1.00 0.00 C ATOM 0 HA PRO A 43 101.022 -3.198 -11.565 1.00 0.00 H new ATOM 0 HB2 PRO A 43 101.257 -3.895 -14.216 1.00 0.00 H new ATOM 0 HB3 PRO A 43 99.663 -3.783 -13.496 1.00 0.00 H new ATOM 0 HG2 PRO A 43 101.107 -1.782 -15.219 1.00 0.00 H new ATOM 0 HG3 PRO A 43 99.423 -2.262 -15.267 1.00 0.00 H new ATOM 0 HD2 PRO A 43 100.302 0.043 -14.026 1.00 0.00 H new ATOM 0 HD3 PRO A 43 98.823 -0.781 -13.576 1.00 0.00 H new ATOM 502 N ALA A 44 103.308 -1.677 -11.760 1.00 0.00 N ATOM 503 CA ALA A 44 104.756 -1.494 -11.781 1.00 0.00 C ATOM 504 C ALA A 44 105.263 -1.190 -13.188 1.00 0.00 C ATOM 505 O ALA A 44 106.143 -1.878 -13.706 1.00 0.00 O ATOM 506 CB ALA A 44 105.446 -2.729 -11.222 1.00 0.00 C ATOM 0 H ALA A 44 102.825 -1.124 -11.052 1.00 0.00 H new ATOM 0 HA ALA A 44 104.996 -0.636 -11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 44 106.526 -2.583 -11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 44 105.121 -2.894 -10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 44 105.186 -3.597 -11.828 1.00 0.00 H new ATOM 512 N VAL A 45 104.704 -0.154 -13.801 1.00 0.00 N ATOM 513 CA VAL A 45 105.101 0.242 -15.146 1.00 0.00 C ATOM 514 C VAL A 45 106.510 0.827 -15.155 1.00 0.00 C ATOM 515 O VAL A 45 107.311 0.527 -16.041 1.00 0.00 O ATOM 516 CB VAL A 45 104.126 1.275 -15.742 1.00 0.00 C ATOM 517 CG1 VAL A 45 104.459 1.543 -17.202 1.00 0.00 C ATOM 518 CG2 VAL A 45 102.687 0.799 -15.596 1.00 0.00 C ATOM 0 H VAL A 45 103.974 0.427 -13.388 1.00 0.00 H new ATOM 0 HA VAL A 45 105.080 -0.660 -15.757 1.00 0.00 H new ATOM 0 HB VAL A 45 104.234 2.209 -15.190 1.00 0.00 H new ATOM 0 HG11 VAL A 45 103.760 2.275 -17.606 1.00 0.00 H new ATOM 0 HG12 VAL A 45 105.475 1.931 -17.278 1.00 0.00 H new ATOM 0 HG13 VAL A 45 104.381 0.615 -17.769 1.00 0.00 H new ATOM 0 HG21 VAL A 45 102.013 1.542 -16.023 1.00 0.00 H new ATOM 0 HG22 VAL A 45 102.562 -0.148 -16.121 1.00 0.00 H new ATOM 0 HG23 VAL A 45 102.454 0.662 -14.540 1.00 0.00 H new ATOM 528 N ASP A 46 106.804 1.667 -14.168 1.00 0.00 N ATOM 529 CA ASP A 46 108.116 2.300 -14.066 1.00 0.00 C ATOM 530 C ASP A 46 109.206 1.267 -13.808 1.00 0.00 C ATOM 531 O ASP A 46 110.336 1.417 -14.275 1.00 0.00 O ATOM 532 CB ASP A 46 108.117 3.350 -12.953 1.00 0.00 C ATOM 533 CG ASP A 46 109.366 4.211 -12.974 1.00 0.00 C ATOM 534 OD1 ASP A 46 109.685 4.768 -14.044 1.00 0.00 O ATOM 535 OD2 ASP A 46 110.024 4.327 -11.918 1.00 0.00 O ATOM 0 H ASP A 46 106.152 1.926 -13.427 1.00 0.00 H new ATOM 0 HA ASP A 46 108.326 2.789 -15.017 1.00 0.00 H new ATOM 0 HB2 ASP A 46 107.238 3.986 -13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 46 108.038 2.852 -11.987 1.00 0.00 H new ATOM 540 N GLU A 47 108.867 0.221 -13.064 1.00 0.00 N ATOM 541 CA GLU A 47 109.827 -0.831 -12.754 1.00 0.00 C ATOM 542 C GLU A 47 109.943 -1.809 -13.915 1.00 0.00 C ATOM 543 O GLU A 47 111.045 -2.164 -14.334 1.00 0.00 O ATOM 544 CB GLU A 47 109.421 -1.574 -11.484 1.00 0.00 C ATOM 545 CG GLU A 47 109.211 -0.661 -10.288 1.00 0.00 C ATOM 546 CD GLU A 47 107.745 -0.393 -10.013 1.00 0.00 C ATOM 547 OE1 GLU A 47 107.065 0.154 -10.906 1.00 0.00 O ATOM 548 OE2 GLU A 47 107.277 -0.730 -8.905 1.00 0.00 O ATOM 0 H GLU A 47 107.939 0.079 -12.666 1.00 0.00 H new ATOM 0 HA GLU A 47 110.798 -0.365 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 47 108.501 -2.127 -11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 47 110.190 -2.308 -11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 47 109.666 -1.112 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 47 109.723 0.285 -10.463 1.00 0.00 H new ATOM 555 N LYS A 48 108.801 -2.236 -14.443 1.00 0.00 N ATOM 556 CA LYS A 48 108.788 -3.163 -15.567 1.00 0.00 C ATOM 557 C LYS A 48 109.619 -2.614 -16.722 1.00 0.00 C ATOM 558 O LYS A 48 110.123 -3.369 -17.554 1.00 0.00 O ATOM 559 CB LYS A 48 107.354 -3.424 -16.029 1.00 0.00 C ATOM 560 CG LYS A 48 107.208 -4.679 -16.872 1.00 0.00 C ATOM 561 CD LYS A 48 107.335 -5.935 -16.024 1.00 0.00 C ATOM 562 CE LYS A 48 106.835 -7.163 -16.768 1.00 0.00 C ATOM 563 NZ LYS A 48 106.092 -8.093 -15.872 1.00 0.00 N ATOM 0 H LYS A 48 107.877 -1.956 -14.112 1.00 0.00 H new ATOM 0 HA LYS A 48 109.226 -4.105 -15.238 1.00 0.00 H new ATOM 0 HB2 LYS A 48 106.708 -3.506 -15.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 107.004 -2.567 -16.604 1.00 0.00 H new ATOM 0 HG2 LYS A 48 106.240 -4.672 -17.372 1.00 0.00 H new ATOM 0 HG3 LYS A 48 107.970 -4.686 -17.652 1.00 0.00 H new ATOM 0 HD2 LYS A 48 108.377 -6.080 -15.740 1.00 0.00 H new ATOM 0 HD3 LYS A 48 106.768 -5.811 -15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 48 106.186 -6.852 -17.587 1.00 0.00 H new ATOM 0 HE3 LYS A 48 107.681 -7.687 -17.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 105.768 -8.917 -16.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 106.718 -8.411 -15.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 105.270 -7.602 -15.467 1.00 0.00 H new ATOM 577 N LEU A 49 109.761 -1.291 -16.759 1.00 0.00 N ATOM 578 CA LEU A 49 110.533 -0.628 -17.800 1.00 0.00 C ATOM 579 C LEU A 49 111.894 -0.174 -17.270 1.00 0.00 C ATOM 580 O LEU A 49 112.804 0.112 -18.048 1.00 0.00 O ATOM 581 CB LEU A 49 109.762 0.579 -18.335 1.00 0.00 C ATOM 582 CG LEU A 49 108.654 0.253 -19.338 1.00 0.00 C ATOM 583 CD1 LEU A 49 107.637 1.385 -19.399 1.00 0.00 C ATOM 584 CD2 LEU A 49 109.246 -0.012 -20.715 1.00 0.00 C ATOM 0 H LEU A 49 109.348 -0.657 -16.075 1.00 0.00 H new ATOM 0 HA LEU A 49 110.697 -1.343 -18.606 1.00 0.00 H new ATOM 0 HB2 LEU A 49 109.321 1.111 -17.492 1.00 0.00 H new ATOM 0 HB3 LEU A 49 110.469 1.261 -18.808 1.00 0.00 H new ATOM 0 HG LEU A 49 108.140 -0.649 -19.005 1.00 0.00 H new ATOM 0 HD11 LEU A 49 106.857 1.135 -20.118 1.00 0.00 H new ATOM 0 HD12 LEU A 49 107.191 1.527 -18.414 1.00 0.00 H new ATOM 0 HD13 LEU A 49 108.134 2.304 -19.708 1.00 0.00 H new ATOM 0 HD21 LEU A 49 108.445 -0.242 -21.417 1.00 0.00 H new ATOM 0 HD22 LEU A 49 109.784 0.872 -21.056 1.00 0.00 H new ATOM 0 HD23 LEU A 49 109.933 -0.856 -20.659 1.00 0.00 H new ATOM 596 N ARG A 50 112.027 -0.100 -15.944 1.00 0.00 N ATOM 597 CA ARG A 50 113.280 0.327 -15.329 1.00 0.00 C ATOM 598 C ARG A 50 113.354 -0.101 -13.866 1.00 0.00 C ATOM 599 O ARG A 50 112.836 0.582 -12.982 1.00 0.00 O ATOM 600 CB ARG A 50 113.426 1.847 -15.431 1.00 0.00 C ATOM 601 CG ARG A 50 114.160 2.308 -16.680 1.00 0.00 C ATOM 602 CD ARG A 50 114.520 3.783 -16.603 1.00 0.00 C ATOM 603 NE ARG A 50 113.344 4.622 -16.383 1.00 0.00 N ATOM 604 CZ ARG A 50 112.433 4.881 -17.318 1.00 0.00 C ATOM 605 NH1 ARG A 50 112.565 4.382 -18.541 1.00 0.00 N ATOM 606 NH2 ARG A 50 111.387 5.644 -17.029 1.00 0.00 N ATOM 0 H ARG A 50 111.286 -0.329 -15.281 1.00 0.00 H new ATOM 0 HA ARG A 50 114.097 -0.154 -15.867 1.00 0.00 H new ATOM 0 HB2 ARG A 50 112.435 2.300 -15.415 1.00 0.00 H new ATOM 0 HB3 ARG A 50 113.958 2.212 -14.552 1.00 0.00 H new ATOM 0 HG2 ARG A 50 115.067 1.717 -16.809 1.00 0.00 H new ATOM 0 HG3 ARG A 50 113.536 2.130 -17.556 1.00 0.00 H new ATOM 0 HD2 ARG A 50 115.234 3.940 -15.795 1.00 0.00 H new ATOM 0 HD3 ARG A 50 115.013 4.085 -17.527 1.00 0.00 H new ATOM 0 HE ARG A 50 113.214 5.033 -15.459 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.368 3.796 -18.769 1.00 0.00 H new ATOM 0 HH12 ARG A 50 111.863 4.584 -19.253 1.00 0.00 H new ATOM 0 HH21 ARG A 50 111.282 6.031 -16.091 1.00 0.00 H new ATOM 0 HH22 ARG A 50 110.688 5.843 -17.745 1.00 0.00 H new ATOM 620 N ASP A 51 114.009 -1.231 -13.617 1.00 0.00 N ATOM 621 CA ASP A 51 114.163 -1.747 -12.261 1.00 0.00 C ATOM 622 C ASP A 51 115.296 -2.768 -12.192 1.00 0.00 C ATOM 623 O ASP A 51 116.183 -2.667 -11.345 1.00 0.00 O ATOM 624 CB ASP A 51 112.858 -2.378 -11.775 1.00 0.00 C ATOM 625 CG ASP A 51 112.492 -1.938 -10.370 1.00 0.00 C ATOM 626 OD1 ASP A 51 112.521 -0.719 -10.103 1.00 0.00 O ATOM 627 OD2 ASP A 51 112.173 -2.814 -9.537 1.00 0.00 O ATOM 0 H ASP A 51 114.442 -1.808 -14.338 1.00 0.00 H new ATOM 0 HA ASP A 51 114.413 -0.910 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.052 -2.111 -12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 51 112.951 -3.464 -11.800 1.00 0.00 H new ATOM 632 N LEU A 52 115.262 -3.748 -13.093 1.00 0.00 N ATOM 633 CA LEU A 52 116.293 -4.784 -13.135 1.00 0.00 C ATOM 634 C LEU A 52 117.684 -4.162 -13.117 1.00 0.00 C ATOM 635 O LEU A 52 118.613 -4.702 -12.516 1.00 0.00 O ATOM 636 CB LEU A 52 116.130 -5.649 -14.388 1.00 0.00 C ATOM 637 CG LEU A 52 115.685 -4.894 -15.642 1.00 0.00 C ATOM 638 CD1 LEU A 52 116.472 -5.361 -16.859 1.00 0.00 C ATOM 639 CD2 LEU A 52 114.191 -5.077 -15.869 1.00 0.00 C ATOM 0 H LEU A 52 114.535 -3.847 -13.801 1.00 0.00 H new ATOM 0 HA LEU A 52 116.178 -5.411 -12.251 1.00 0.00 H new ATOM 0 HB2 LEU A 52 117.079 -6.142 -14.597 1.00 0.00 H new ATOM 0 HB3 LEU A 52 115.403 -6.433 -14.177 1.00 0.00 H new ATOM 0 HG LEU A 52 115.885 -3.833 -15.494 1.00 0.00 H new ATOM 0 HD11 LEU A 52 116.140 -4.812 -17.740 1.00 0.00 H new ATOM 0 HD12 LEU A 52 117.534 -5.179 -16.697 1.00 0.00 H new ATOM 0 HD13 LEU A 52 116.306 -6.427 -17.013 1.00 0.00 H new ATOM 0 HD21 LEU A 52 113.890 -4.534 -16.765 1.00 0.00 H new ATOM 0 HD22 LEU A 52 113.969 -6.137 -15.995 1.00 0.00 H new ATOM 0 HD23 LEU A 52 113.642 -4.692 -15.009 1.00 0.00 H new ATOM 651 N TYR A 53 117.813 -3.019 -13.778 1.00 0.00 N ATOM 652 CA TYR A 53 119.082 -2.309 -13.846 1.00 0.00 C ATOM 653 C TYR A 53 119.520 -1.838 -12.466 1.00 0.00 C ATOM 654 O TYR A 53 120.609 -2.172 -12.002 1.00 0.00 O ATOM 655 CB TYR A 53 118.959 -1.110 -14.784 1.00 0.00 C ATOM 656 CG TYR A 53 120.226 -0.826 -15.555 1.00 0.00 C ATOM 657 CD1 TYR A 53 120.543 -1.556 -16.694 1.00 0.00 C ATOM 658 CD2 TYR A 53 121.111 0.158 -15.137 1.00 0.00 C ATOM 659 CE1 TYR A 53 121.709 -1.310 -17.395 1.00 0.00 C ATOM 660 CE2 TYR A 53 122.279 0.407 -15.831 1.00 0.00 C ATOM 661 CZ TYR A 53 122.574 -0.329 -16.960 1.00 0.00 C ATOM 662 OH TYR A 53 123.736 -0.083 -17.654 1.00 0.00 O ATOM 0 H TYR A 53 117.049 -2.562 -14.277 1.00 0.00 H new ATOM 0 HA TYR A 53 119.835 -2.997 -14.230 1.00 0.00 H new ATOM 0 HB2 TYR A 53 118.146 -1.289 -15.487 1.00 0.00 H new ATOM 0 HB3 TYR A 53 118.690 -0.228 -14.203 1.00 0.00 H new ATOM 0 HD1 TYR A 53 119.869 -2.327 -17.037 1.00 0.00 H new ATOM 0 HD2 TYR A 53 120.883 0.738 -14.255 1.00 0.00 H new ATOM 0 HE1 TYR A 53 121.941 -1.884 -18.280 1.00 0.00 H new ATOM 0 HE2 TYR A 53 122.958 1.175 -15.491 1.00 0.00 H new ATOM 0 HH TYR A 53 124.232 0.640 -17.216 1.00 0.00 H new ATOM 672 N SER A 54 118.663 -1.056 -11.817 1.00 0.00 N ATOM 673 CA SER A 54 118.962 -0.526 -10.489 1.00 0.00 C ATOM 674 C SER A 54 118.561 -1.502 -9.383 1.00 0.00 C ATOM 675 O SER A 54 118.496 -1.130 -8.212 1.00 0.00 O ATOM 676 CB SER A 54 118.251 0.812 -10.280 1.00 0.00 C ATOM 677 OG SER A 54 118.189 1.551 -11.489 1.00 0.00 O ATOM 0 H SER A 54 117.756 -0.775 -12.188 1.00 0.00 H new ATOM 0 HA SER A 54 120.041 -0.380 -10.432 1.00 0.00 H new ATOM 0 HB2 SER A 54 117.243 0.637 -9.905 1.00 0.00 H new ATOM 0 HB3 SER A 54 118.777 1.392 -9.522 1.00 0.00 H new ATOM 0 HG SER A 54 117.729 2.401 -11.329 1.00 0.00 H new ATOM 683 N LYS A 55 118.307 -2.749 -9.759 1.00 0.00 N ATOM 684 CA LYS A 55 117.923 -3.779 -8.797 1.00 0.00 C ATOM 685 C LYS A 55 119.017 -4.836 -8.659 1.00 0.00 C ATOM 686 O LYS A 55 118.996 -5.647 -7.735 1.00 0.00 O ATOM 687 CB LYS A 55 116.608 -4.436 -9.223 1.00 0.00 C ATOM 688 CG LYS A 55 116.062 -5.426 -8.206 1.00 0.00 C ATOM 689 CD LYS A 55 114.551 -5.309 -8.068 1.00 0.00 C ATOM 690 CE LYS A 55 113.832 -6.421 -8.819 1.00 0.00 C ATOM 691 NZ LYS A 55 113.234 -7.425 -7.895 1.00 0.00 N ATOM 0 H LYS A 55 118.360 -3.074 -10.724 1.00 0.00 H new ATOM 0 HA LYS A 55 117.786 -3.302 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 55 115.863 -3.659 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 55 116.760 -4.950 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 55 116.323 -6.440 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.531 -5.251 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 55 114.277 -5.345 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 55 114.224 -4.341 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 55 113.048 -5.990 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 55 114.534 -6.918 -9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 112.755 -8.164 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 113.984 -7.856 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 112.545 -6.957 -7.272 1.00 0.00 H new ATOM 705 N SER A 56 119.976 -4.816 -9.580 1.00 0.00 N ATOM 706 CA SER A 56 121.082 -5.769 -9.554 1.00 0.00 C ATOM 707 C SER A 56 122.423 -5.053 -9.392 1.00 0.00 C ATOM 708 O SER A 56 123.448 -5.689 -9.149 1.00 0.00 O ATOM 709 CB SER A 56 121.087 -6.605 -10.834 1.00 0.00 C ATOM 710 OG SER A 56 121.451 -5.820 -11.957 1.00 0.00 O ATOM 0 H SER A 56 120.010 -4.151 -10.353 1.00 0.00 H new ATOM 0 HA SER A 56 120.941 -6.427 -8.696 1.00 0.00 H new ATOM 0 HB2 SER A 56 121.784 -7.436 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 56 120.099 -7.037 -10.994 1.00 0.00 H new ATOM 0 HG SER A 56 120.659 -5.360 -12.305 1.00 0.00 H new ATOM 716 N THR A 57 122.412 -3.727 -9.529 1.00 0.00 N ATOM 717 CA THR A 57 123.629 -2.934 -9.398 1.00 0.00 C ATOM 718 C THR A 57 123.597 -2.058 -8.147 1.00 0.00 C ATOM 719 O THR A 57 124.603 -1.443 -7.791 1.00 0.00 O ATOM 720 CB THR A 57 123.823 -2.057 -10.637 1.00 0.00 C ATOM 721 OG1 THR A 57 125.081 -1.407 -10.598 1.00 0.00 O ATOM 722 CG2 THR A 57 122.760 -0.990 -10.790 1.00 0.00 C ATOM 0 H THR A 57 121.574 -3.182 -9.730 1.00 0.00 H new ATOM 0 HA THR A 57 124.466 -3.626 -9.306 1.00 0.00 H new ATOM 0 HB THR A 57 123.755 -2.738 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 57 125.298 -1.170 -9.672 1.00 0.00 H new ATOM 0 HG21 THR A 57 122.958 -0.405 -11.688 1.00 0.00 H new ATOM 0 HG22 THR A 57 121.781 -1.461 -10.873 1.00 0.00 H new ATOM 0 HG23 THR A 57 122.775 -0.334 -9.919 1.00 0.00 H new ATOM 730 N ALA A 58 122.444 -1.996 -7.481 1.00 0.00 N ATOM 731 CA ALA A 58 122.312 -1.184 -6.273 1.00 0.00 C ATOM 732 C ALA A 58 121.489 -1.900 -5.213 1.00 0.00 C ATOM 733 O ALA A 58 121.897 -1.995 -4.056 1.00 0.00 O ATOM 734 CB ALA A 58 121.695 0.166 -6.608 1.00 0.00 C ATOM 0 H ALA A 58 121.596 -2.493 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 58 123.310 -1.022 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 58 121.603 0.760 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 58 122.332 0.690 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 58 120.708 0.016 -7.045 1.00 0.00 H new ATOM 740 N ALA A 59 120.329 -2.411 -5.609 1.00 0.00 N ATOM 741 CA ALA A 59 119.458 -3.124 -4.685 1.00 0.00 C ATOM 742 C ALA A 59 120.170 -4.328 -4.066 1.00 0.00 C ATOM 743 O ALA A 59 119.699 -4.896 -3.081 1.00 0.00 O ATOM 744 CB ALA A 59 118.186 -3.560 -5.394 1.00 0.00 C ATOM 0 H ALA A 59 119.971 -2.345 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 59 119.194 -2.444 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 59 117.543 -4.092 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 59 117.662 -2.683 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 59 118.440 -4.218 -6.225 1.00 0.00 H new ATOM 750 N MET A 60 121.307 -4.716 -4.646 1.00 0.00 N ATOM 751 CA MET A 60 122.073 -5.849 -4.142 1.00 0.00 C ATOM 752 C MET A 60 123.527 -5.459 -3.886 1.00 0.00 C ATOM 753 O MET A 60 124.124 -5.868 -2.890 1.00 0.00 O ATOM 754 CB MET A 60 122.007 -7.012 -5.134 1.00 0.00 C ATOM 755 CG MET A 60 122.761 -6.758 -6.429 1.00 0.00 C ATOM 756 SD MET A 60 122.740 -8.183 -7.535 1.00 0.00 S ATOM 757 CE MET A 60 123.395 -9.457 -6.460 1.00 0.00 C ATOM 0 H MET A 60 121.714 -4.261 -5.463 1.00 0.00 H new ATOM 0 HA MET A 60 121.633 -6.161 -3.195 1.00 0.00 H new ATOM 0 HB2 MET A 60 122.411 -7.906 -4.659 1.00 0.00 H new ATOM 0 HB3 MET A 60 120.963 -7.219 -5.367 1.00 0.00 H new ATOM 0 HG2 MET A 60 122.322 -5.901 -6.939 1.00 0.00 H new ATOM 0 HG3 MET A 60 123.794 -6.497 -6.199 1.00 0.00 H new ATOM 0 HE1 MET A 60 123.726 -10.305 -7.060 1.00 0.00 H new ATOM 0 HE2 MET A 60 124.240 -9.059 -5.897 1.00 0.00 H new ATOM 0 HE3 MET A 60 122.619 -9.783 -5.768 1.00 0.00 H new ATOM 767 N SER A 61 124.092 -4.676 -4.799 1.00 0.00 N ATOM 768 CA SER A 61 125.478 -4.237 -4.682 1.00 0.00 C ATOM 769 C SER A 61 125.633 -3.140 -3.632 1.00 0.00 C ATOM 770 O SER A 61 126.586 -3.150 -2.852 1.00 0.00 O ATOM 771 CB SER A 61 125.989 -3.734 -6.033 1.00 0.00 C ATOM 772 OG SER A 61 127.377 -3.978 -6.174 1.00 0.00 O ATOM 0 H SER A 61 123.610 -4.332 -5.630 1.00 0.00 H new ATOM 0 HA SER A 61 126.070 -5.096 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 61 125.446 -4.228 -6.838 1.00 0.00 H new ATOM 0 HB3 SER A 61 125.793 -2.666 -6.125 1.00 0.00 H new ATOM 0 HG SER A 61 127.680 -3.649 -7.046 1.00 0.00 H new ATOM 778 N THR A 62 124.705 -2.188 -3.621 1.00 0.00 N ATOM 779 CA THR A 62 124.764 -1.086 -2.666 1.00 0.00 C ATOM 780 C THR A 62 124.428 -1.548 -1.250 1.00 0.00 C ATOM 781 O THR A 62 124.584 -0.789 -0.294 1.00 0.00 O ATOM 782 CB THR A 62 123.816 0.039 -3.084 1.00 0.00 C ATOM 783 OG1 THR A 62 124.079 0.450 -4.414 1.00 0.00 O ATOM 784 CG2 THR A 62 123.920 1.262 -2.198 1.00 0.00 C ATOM 0 H THR A 62 123.909 -2.157 -4.257 1.00 0.00 H new ATOM 0 HA THR A 62 125.788 -0.711 -2.666 1.00 0.00 H new ATOM 0 HB THR A 62 122.813 -0.377 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 62 123.461 1.169 -4.663 1.00 0.00 H new ATOM 0 HG21 THR A 62 123.223 2.024 -2.546 1.00 0.00 H new ATOM 0 HG22 THR A 62 123.676 0.989 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 62 124.936 1.655 -2.238 1.00 0.00 H new ATOM 792 N TYR A 63 123.972 -2.789 -1.112 1.00 0.00 N ATOM 793 CA TYR A 63 123.628 -3.331 0.187 1.00 0.00 C ATOM 794 C TYR A 63 124.882 -3.547 1.019 1.00 0.00 C ATOM 795 O TYR A 63 124.859 -3.424 2.244 1.00 0.00 O ATOM 796 CB TYR A 63 122.897 -4.647 -0.001 1.00 0.00 C ATOM 797 CG TYR A 63 121.557 -4.707 0.699 1.00 0.00 C ATOM 798 CD1 TYR A 63 121.458 -5.142 2.014 1.00 0.00 C ATOM 799 CD2 TYR A 63 120.392 -4.327 0.044 1.00 0.00 C ATOM 800 CE1 TYR A 63 120.235 -5.197 2.658 1.00 0.00 C ATOM 801 CE2 TYR A 63 119.166 -4.377 0.681 1.00 0.00 C ATOM 802 CZ TYR A 63 119.093 -4.814 1.988 1.00 0.00 C ATOM 803 OH TYR A 63 117.874 -4.865 2.626 1.00 0.00 O ATOM 0 H TYR A 63 123.834 -3.435 -1.889 1.00 0.00 H new ATOM 0 HA TYR A 63 122.984 -2.626 0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 63 122.748 -4.820 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 63 123.526 -5.457 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 63 122.351 -5.442 2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 63 120.445 -3.987 -0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 63 120.175 -5.538 3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 63 118.270 -4.076 0.159 1.00 0.00 H new ATOM 0 HH TYR A 63 117.172 -4.560 2.014 1.00 0.00 H new ATOM 813 N THR A 64 125.982 -3.854 0.340 1.00 0.00 N ATOM 814 CA THR A 64 127.256 -4.068 1.014 1.00 0.00 C ATOM 815 C THR A 64 127.613 -2.844 1.847 1.00 0.00 C ATOM 816 O THR A 64 128.361 -2.928 2.820 1.00 0.00 O ATOM 817 CB THR A 64 128.359 -4.358 -0.006 1.00 0.00 C ATOM 818 OG1 THR A 64 128.555 -3.247 -0.864 1.00 0.00 O ATOM 819 CG2 THR A 64 128.070 -5.564 -0.875 1.00 0.00 C ATOM 0 H THR A 64 126.017 -3.960 -0.674 1.00 0.00 H new ATOM 0 HA THR A 64 127.164 -4.931 1.674 1.00 0.00 H new ATOM 0 HB THR A 64 129.251 -4.562 0.585 1.00 0.00 H new ATOM 0 HG1 THR A 64 127.865 -3.245 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 64 128.892 -5.713 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 64 127.964 -6.448 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 64 127.146 -5.400 -1.429 1.00 0.00 H new ATOM 827 N GLY A 65 127.047 -1.711 1.455 1.00 0.00 N ATOM 828 CA GLY A 65 127.278 -0.473 2.166 1.00 0.00 C ATOM 829 C GLY A 65 126.194 -0.200 3.187 1.00 0.00 C ATOM 830 O GLY A 65 126.397 0.573 4.123 1.00 0.00 O ATOM 0 H GLY A 65 126.427 -1.629 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 65 128.246 -0.516 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 65 127.323 0.352 1.455 1.00 0.00 H new ATOM 834 N ILE A 66 125.036 -0.842 3.011 1.00 0.00 N ATOM 835 CA ILE A 66 123.923 -0.668 3.933 1.00 0.00 C ATOM 836 C ILE A 66 123.935 -1.747 5.011 1.00 0.00 C ATOM 837 O ILE A 66 123.179 -1.681 5.980 1.00 0.00 O ATOM 838 CB ILE A 66 122.568 -0.701 3.198 1.00 0.00 C ATOM 839 CG1 ILE A 66 122.573 0.287 2.029 1.00 0.00 C ATOM 840 CG2 ILE A 66 121.431 -0.386 4.160 1.00 0.00 C ATOM 841 CD1 ILE A 66 122.848 1.716 2.446 1.00 0.00 C ATOM 0 H ILE A 66 124.850 -1.483 2.240 1.00 0.00 H new ATOM 0 HA ILE A 66 124.046 0.310 4.398 1.00 0.00 H new ATOM 0 HB ILE A 66 122.413 -1.705 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 66 123.327 -0.023 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 66 121.608 0.244 1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 66 120.482 -0.414 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 66 121.417 -1.125 4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 66 121.579 0.607 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 66 122.836 2.360 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 66 122.081 2.045 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 66 123.825 1.774 2.925 1.00 0.00 H new ATOM 853 N PHE A 67 124.805 -2.737 4.835 1.00 0.00 N ATOM 854 CA PHE A 67 124.929 -3.832 5.779 1.00 0.00 C ATOM 855 C PHE A 67 125.400 -3.333 7.140 1.00 0.00 C ATOM 856 O PHE A 67 124.816 -3.659 8.173 1.00 0.00 O ATOM 857 CB PHE A 67 125.916 -4.853 5.223 1.00 0.00 C ATOM 858 CG PHE A 67 125.463 -6.277 5.376 1.00 0.00 C ATOM 859 CD1 PHE A 67 124.337 -6.734 4.711 1.00 0.00 C ATOM 860 CD2 PHE A 67 126.160 -7.158 6.189 1.00 0.00 C ATOM 861 CE1 PHE A 67 123.914 -8.042 4.854 1.00 0.00 C ATOM 862 CE2 PHE A 67 125.742 -8.468 6.335 1.00 0.00 C ATOM 863 CZ PHE A 67 124.617 -8.910 5.666 1.00 0.00 C ATOM 0 H PHE A 67 125.438 -2.799 4.038 1.00 0.00 H new ATOM 0 HA PHE A 67 123.952 -4.295 5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 67 126.083 -4.646 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 67 126.875 -4.730 5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 67 123.783 -6.061 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 67 127.040 -6.817 6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 67 123.034 -8.385 4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 67 126.294 -9.144 6.971 1.00 0.00 H new ATOM 0 HZ PHE A 67 124.288 -9.933 5.778 1.00 0.00 H new ATOM 873 N THR A 68 126.467 -2.545 7.126 1.00 0.00 N ATOM 874 CA THR A 68 127.042 -1.999 8.353 1.00 0.00 C ATOM 875 C THR A 68 126.460 -0.623 8.678 1.00 0.00 C ATOM 876 O THR A 68 126.391 -0.231 9.843 1.00 0.00 O ATOM 877 CB THR A 68 128.566 -1.902 8.222 1.00 0.00 C ATOM 878 OG1 THR A 68 128.998 -2.422 6.976 1.00 0.00 O ATOM 879 CG2 THR A 68 129.305 -2.649 9.308 1.00 0.00 C ATOM 0 H THR A 68 126.956 -2.267 6.275 1.00 0.00 H new ATOM 0 HA THR A 68 126.790 -2.675 9.170 1.00 0.00 H new ATOM 0 HB THR A 68 128.796 -0.840 8.308 1.00 0.00 H new ATOM 0 HG1 THR A 68 129.973 -2.349 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 68 130.379 -2.541 9.158 1.00 0.00 H new ATOM 0 HG22 THR A 68 129.032 -2.241 10.281 1.00 0.00 H new ATOM 0 HG23 THR A 68 129.038 -3.705 9.270 1.00 0.00 H new ATOM 887 N ASP A 69 126.054 0.108 7.646 1.00 0.00 N ATOM 888 CA ASP A 69 125.488 1.439 7.830 1.00 0.00 C ATOM 889 C ASP A 69 124.290 1.411 8.774 1.00 0.00 C ATOM 890 O ASP A 69 123.956 2.419 9.392 1.00 0.00 O ATOM 891 CB ASP A 69 125.077 2.033 6.481 1.00 0.00 C ATOM 892 CG ASP A 69 126.035 3.106 6.006 1.00 0.00 C ATOM 893 OD1 ASP A 69 126.487 3.914 6.845 1.00 0.00 O ATOM 894 OD2 ASP A 69 126.333 3.140 4.793 1.00 0.00 O ATOM 0 H ASP A 69 126.106 -0.198 6.674 1.00 0.00 H new ATOM 0 HA ASP A 69 126.257 2.067 8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 69 125.028 1.238 5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 69 124.075 2.455 6.563 1.00 0.00 H new ATOM 899 N GLN A 70 123.646 0.255 8.882 1.00 0.00 N ATOM 900 CA GLN A 70 122.484 0.113 9.754 1.00 0.00 C ATOM 901 C GLN A 70 122.890 -0.296 11.169 1.00 0.00 C ATOM 902 O GLN A 70 122.038 -0.482 12.037 1.00 0.00 O ATOM 903 CB GLN A 70 121.505 -0.910 9.176 1.00 0.00 C ATOM 904 CG GLN A 70 122.115 -2.284 8.955 1.00 0.00 C ATOM 905 CD GLN A 70 121.123 -3.274 8.379 1.00 0.00 C ATOM 906 OE1 GLN A 70 120.628 -4.155 9.082 1.00 0.00 O ATOM 907 NE2 GLN A 70 120.828 -3.133 7.092 1.00 0.00 N ATOM 0 H GLN A 70 123.906 -0.594 8.380 1.00 0.00 H new ATOM 0 HA GLN A 70 121.995 1.086 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 70 120.653 -1.005 9.849 1.00 0.00 H new ATOM 0 HB3 GLN A 70 121.121 -0.536 8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 70 122.967 -2.195 8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 70 122.496 -2.666 9.902 1.00 0.00 H new ATOM 0 HE21 GLN A 70 121.263 -2.388 6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 70 120.167 -3.770 6.648 1.00 0.00 H new ATOM 916 N VAL A 71 124.192 -0.426 11.398 1.00 0.00 N ATOM 917 CA VAL A 71 124.709 -0.805 12.707 1.00 0.00 C ATOM 918 C VAL A 71 125.218 0.421 13.454 1.00 0.00 C ATOM 919 O VAL A 71 124.589 0.881 14.404 1.00 0.00 O ATOM 920 CB VAL A 71 125.844 -1.839 12.570 1.00 0.00 C ATOM 921 CG1 VAL A 71 126.426 -2.199 13.931 1.00 0.00 C ATOM 922 CG2 VAL A 71 125.339 -3.081 11.849 1.00 0.00 C ATOM 0 H VAL A 71 124.911 -0.274 10.691 1.00 0.00 H new ATOM 0 HA VAL A 71 123.893 -1.254 13.273 1.00 0.00 H new ATOM 0 HB VAL A 71 126.643 -1.395 11.977 1.00 0.00 H new ATOM 0 HG11 VAL A 71 127.224 -2.930 13.803 1.00 0.00 H new ATOM 0 HG12 VAL A 71 126.827 -1.303 14.404 1.00 0.00 H new ATOM 0 HG13 VAL A 71 125.644 -2.622 14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 71 126.150 -3.804 11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 71 124.520 -3.523 12.416 1.00 0.00 H new ATOM 0 HG23 VAL A 71 124.985 -2.806 10.855 1.00 0.00 H new ATOM 932 N LEU A 72 126.348 0.958 13.007 1.00 0.00 N ATOM 933 CA LEU A 72 126.924 2.140 13.627 1.00 0.00 C ATOM 934 C LEU A 72 125.892 3.263 13.690 1.00 0.00 C ATOM 935 O LEU A 72 125.944 4.122 14.569 1.00 0.00 O ATOM 936 CB LEU A 72 128.154 2.591 12.840 1.00 0.00 C ATOM 937 CG LEU A 72 127.975 2.616 11.320 1.00 0.00 C ATOM 938 CD1 LEU A 72 128.368 3.974 10.760 1.00 0.00 C ATOM 939 CD2 LEU A 72 128.791 1.509 10.667 1.00 0.00 C ATOM 0 H LEU A 72 126.881 0.592 12.218 1.00 0.00 H new ATOM 0 HA LEU A 72 127.226 1.894 14.645 1.00 0.00 H new ATOM 0 HB2 LEU A 72 128.435 3.590 13.174 1.00 0.00 H new ATOM 0 HB3 LEU A 72 128.985 1.928 13.082 1.00 0.00 H new ATOM 0 HG LEU A 72 126.923 2.443 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 72 128.235 3.974 9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 72 127.739 4.746 11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 72 129.413 4.177 10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 72 128.651 1.543 9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 72 129.846 1.649 10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 72 128.461 0.542 11.046 1.00 0.00 H new ATOM 951 N SER A 73 124.942 3.232 12.756 1.00 0.00 N ATOM 952 CA SER A 73 123.879 4.230 12.703 1.00 0.00 C ATOM 953 C SER A 73 122.894 4.028 13.844 1.00 0.00 C ATOM 954 O SER A 73 122.273 4.977 14.324 1.00 0.00 O ATOM 955 CB SER A 73 123.131 4.132 11.379 1.00 0.00 C ATOM 956 OG SER A 73 123.886 4.691 10.317 1.00 0.00 O ATOM 0 H SER A 73 124.889 2.523 12.024 1.00 0.00 H new ATOM 0 HA SER A 73 124.337 5.215 12.795 1.00 0.00 H new ATOM 0 HB2 SER A 73 122.910 3.087 11.160 1.00 0.00 H new ATOM 0 HB3 SER A 73 122.175 4.650 11.460 1.00 0.00 H new ATOM 0 HG SER A 73 124.203 3.974 9.728 1.00 0.00 H new ATOM 962 N VAL A 74 122.749 2.779 14.263 1.00 0.00 N ATOM 963 CA VAL A 74 121.832 2.430 15.337 1.00 0.00 C ATOM 964 C VAL A 74 122.574 2.231 16.650 1.00 0.00 C ATOM 965 O VAL A 74 121.978 2.299 17.726 1.00 0.00 O ATOM 966 CB VAL A 74 121.053 1.144 15.007 1.00 0.00 C ATOM 967 CG1 VAL A 74 119.921 0.932 16.001 1.00 0.00 C ATOM 968 CG2 VAL A 74 120.518 1.194 13.583 1.00 0.00 C ATOM 0 H VAL A 74 123.258 1.986 13.872 1.00 0.00 H new ATOM 0 HA VAL A 74 121.133 3.260 15.439 1.00 0.00 H new ATOM 0 HB VAL A 74 121.737 0.299 15.086 1.00 0.00 H new ATOM 0 HG11 VAL A 74 119.383 0.018 15.750 1.00 0.00 H new ATOM 0 HG12 VAL A 74 120.331 0.847 17.007 1.00 0.00 H new ATOM 0 HG13 VAL A 74 119.236 1.779 15.959 1.00 0.00 H new ATOM 0 HG21 VAL A 74 119.970 0.277 13.368 1.00 0.00 H new ATOM 0 HG22 VAL A 74 119.851 2.049 13.475 1.00 0.00 H new ATOM 0 HG23 VAL A 74 121.350 1.292 12.885 1.00 0.00 H new ATOM 978 N LEU A 75 123.875 1.980 16.562 1.00 0.00 N ATOM 979 CA LEU A 75 124.679 1.772 17.754 1.00 0.00 C ATOM 980 C LEU A 75 124.800 3.063 18.552 1.00 0.00 C ATOM 981 O LEU A 75 124.652 3.064 19.773 1.00 0.00 O ATOM 982 CB LEU A 75 126.068 1.257 17.377 1.00 0.00 C ATOM 983 CG LEU A 75 126.096 -0.166 16.822 1.00 0.00 C ATOM 984 CD1 LEU A 75 127.458 -0.479 16.225 1.00 0.00 C ATOM 985 CD2 LEU A 75 125.740 -1.172 17.910 1.00 0.00 C ATOM 0 H LEU A 75 124.390 1.916 15.684 1.00 0.00 H new ATOM 0 HA LEU A 75 124.183 1.025 18.374 1.00 0.00 H new ATOM 0 HB2 LEU A 75 126.500 1.929 16.636 1.00 0.00 H new ATOM 0 HB3 LEU A 75 126.708 1.301 18.259 1.00 0.00 H new ATOM 0 HG LEU A 75 125.351 -0.242 16.030 1.00 0.00 H new ATOM 0 HD11 LEU A 75 127.459 -1.497 15.835 1.00 0.00 H new ATOM 0 HD12 LEU A 75 127.670 0.220 15.416 1.00 0.00 H new ATOM 0 HD13 LEU A 75 128.223 -0.385 16.995 1.00 0.00 H new ATOM 0 HD21 LEU A 75 125.765 -2.180 17.496 1.00 0.00 H new ATOM 0 HD22 LEU A 75 126.460 -1.096 18.725 1.00 0.00 H new ATOM 0 HD23 LEU A 75 124.740 -0.960 18.288 1.00 0.00 H new ATOM 997 N LYS A 76 125.091 4.158 17.857 1.00 0.00 N ATOM 998 CA LYS A 76 125.258 5.446 18.504 1.00 0.00 C ATOM 999 C LYS A 76 124.570 6.556 17.716 1.00 0.00 C ATOM 1000 O LYS A 76 123.588 7.147 18.166 1.00 0.00 O ATOM 1001 CB LYS A 76 126.746 5.730 18.604 1.00 0.00 C ATOM 1002 CG LYS A 76 127.299 5.634 20.018 1.00 0.00 C ATOM 1003 CD LYS A 76 128.275 4.476 20.164 1.00 0.00 C ATOM 1004 CE LYS A 76 129.697 4.897 19.827 1.00 0.00 C ATOM 1005 NZ LYS A 76 130.292 5.742 20.900 1.00 0.00 N ATOM 0 H LYS A 76 125.215 4.175 16.845 1.00 0.00 H new ATOM 0 HA LYS A 76 124.801 5.416 19.493 1.00 0.00 H new ATOM 0 HB2 LYS A 76 127.283 5.028 17.966 1.00 0.00 H new ATOM 0 HB3 LYS A 76 126.942 6.729 18.215 1.00 0.00 H new ATOM 0 HG2 LYS A 76 127.800 6.567 20.277 1.00 0.00 H new ATOM 0 HG3 LYS A 76 126.477 5.508 20.722 1.00 0.00 H new ATOM 0 HD2 LYS A 76 128.240 4.096 21.185 1.00 0.00 H new ATOM 0 HD3 LYS A 76 127.972 3.659 19.509 1.00 0.00 H new ATOM 0 HE2 LYS A 76 130.313 4.010 19.679 1.00 0.00 H new ATOM 0 HE3 LYS A 76 129.700 5.448 18.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 131.322 5.799 20.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 129.884 6.698 20.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 130.086 5.321 21.828 1.00 0.00 H new ATOM 1019 N GLY A 77 125.110 6.829 16.538 1.00 0.00 N ATOM 1020 CA GLY A 77 124.575 7.865 15.676 1.00 0.00 C ATOM 1021 C GLY A 77 125.356 7.949 14.385 1.00 0.00 C ATOM 1022 O GLY A 77 125.820 9.020 13.992 1.00 0.00 O ATOM 0 H GLY A 77 125.922 6.343 16.158 1.00 0.00 H new ATOM 0 HA2 GLY A 77 123.527 7.658 15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 77 124.610 8.825 16.190 1.00 0.00 H new ATOM 1026 N GLU A 78 125.506 6.801 13.734 1.00 0.00 N ATOM 1027 CA GLU A 78 126.243 6.702 12.488 1.00 0.00 C ATOM 1028 C GLU A 78 127.740 6.725 12.760 1.00 0.00 C ATOM 1029 O GLU A 78 128.468 7.574 12.242 1.00 0.00 O ATOM 1030 CB GLU A 78 125.834 7.831 11.554 1.00 0.00 C ATOM 1031 CG GLU A 78 125.960 7.487 10.076 1.00 0.00 C ATOM 1032 CD GLU A 78 124.886 8.142 9.231 1.00 0.00 C ATOM 1033 OE1 GLU A 78 124.503 9.290 9.543 1.00 0.00 O ATOM 1034 OE2 GLU A 78 124.426 7.510 8.257 1.00 0.00 O ATOM 0 H GLU A 78 125.119 5.915 14.058 1.00 0.00 H new ATOM 0 HA GLU A 78 126.006 5.755 12.002 1.00 0.00 H new ATOM 0 HB2 GLU A 78 124.801 8.108 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 78 126.448 8.706 11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 78 126.941 7.799 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 78 125.905 6.405 9.953 1.00 0.00 H new ATOM 1041 N GLU A 79 128.191 5.782 13.588 1.00 0.00 N ATOM 1042 CA GLU A 79 129.603 5.688 13.948 1.00 0.00 C ATOM 1043 C GLU A 79 129.848 4.512 14.890 1.00 0.00 C ATOM 1044 O GLU A 79 131.005 4.049 14.968 1.00 0.00 O ATOM 1045 CB GLU A 79 130.072 6.985 14.610 1.00 0.00 C ATOM 1046 CG GLU A 79 131.533 7.314 14.340 1.00 0.00 C ATOM 1047 CD GLU A 79 132.468 6.728 15.380 1.00 0.00 C ATOM 1048 OE1 GLU A 79 132.098 6.716 16.573 1.00 0.00 O ATOM 1049 OE2 GLU A 79 133.575 6.286 15.003 1.00 0.00 O ATOM 0 H GLU A 79 127.598 5.074 14.021 1.00 0.00 H new ATOM 0 HA GLU A 79 130.173 5.526 13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 79 129.452 7.808 14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 79 129.918 6.910 15.686 1.00 0.00 H new ATOM 0 HG2 GLU A 79 131.810 6.937 13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 79 131.658 8.396 14.314 1.00 0.00 H new TER 1056 GLU A 79