USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 682 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 Set 1.1: A 21 THR OG1 : rot -79:sc= 0.898 USER MOD Set 1.2: A 24 GLN : amide:sc= -0.0794 K(o=0.82,f=0.073) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0836 USER MOD Single : A 3 SER OG : rot 27:sc= 0.949 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.16) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0135 (180deg=-0.176) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= -0.0305 (180deg=-0.0358) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00987) USER MOD Single : A 31 SER OG : rot -90:sc= -0.573 USER MOD Single : A 34 LYS NZ :NH3+ 140:sc= 1.23 (180deg=0.477) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 40 GLN : amide:sc= -0.0753 X(o=-0.075,f=-0.075) USER MOD Single : A 50 THR OG1 : rot -65:sc= -0.293! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -19:sc= 0.642 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0674 K(o=-0.067,f=-1.6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 17:sc= 0.275! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.357 -27.745 -9.600 1.00 0.00 N ATOM 2 CA GLY A 1 5.427 -26.517 -10.369 1.00 0.00 C ATOM 3 C GLY A 1 6.334 -26.639 -11.577 1.00 0.00 C ATOM 4 O GLY A 1 7.443 -26.105 -11.585 1.00 0.00 O ATOM 0 H1 GLY A 1 4.725 -27.609 -8.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.989 -28.510 -10.200 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.308 -27.998 -9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.425 -26.240 -10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.786 -25.711 -9.729 1.00 0.00 H new ATOM 8 N SER A 2 5.864 -27.345 -12.599 1.00 0.00 N ATOM 9 CA SER A 2 6.644 -27.541 -13.816 1.00 0.00 C ATOM 10 C SER A 2 7.445 -26.287 -14.157 1.00 0.00 C ATOM 11 O SER A 2 8.673 -26.322 -14.225 1.00 0.00 O ATOM 12 CB SER A 2 5.725 -27.906 -14.983 1.00 0.00 C ATOM 13 OG SER A 2 4.693 -26.947 -15.139 1.00 0.00 O ATOM 0 H SER A 2 4.947 -27.791 -12.609 1.00 0.00 H new ATOM 0 HA SER A 2 7.342 -28.360 -13.642 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.307 -27.971 -15.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.288 -28.890 -14.812 1.00 0.00 H new ATOM 0 HG SER A 2 4.120 -27.202 -15.892 1.00 0.00 H new ATOM 19 N SER A 3 6.738 -25.182 -14.369 1.00 0.00 N ATOM 20 CA SER A 3 7.380 -23.917 -14.706 1.00 0.00 C ATOM 21 C SER A 3 6.447 -22.743 -14.428 1.00 0.00 C ATOM 22 O SER A 3 5.301 -22.929 -14.023 1.00 0.00 O ATOM 23 CB SER A 3 7.801 -23.911 -16.178 1.00 0.00 C ATOM 24 OG SER A 3 9.024 -24.604 -16.360 1.00 0.00 O ATOM 0 H SER A 3 5.721 -25.137 -14.313 1.00 0.00 H new ATOM 0 HA SER A 3 8.266 -23.810 -14.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.023 -24.374 -16.784 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.906 -22.883 -16.526 1.00 0.00 H new ATOM 0 HG SER A 3 9.128 -25.275 -15.654 1.00 0.00 H new ATOM 30 N GLY A 4 6.949 -21.532 -14.647 1.00 0.00 N ATOM 31 CA GLY A 4 6.147 -20.344 -14.415 1.00 0.00 C ATOM 32 C GLY A 4 6.733 -19.111 -15.076 1.00 0.00 C ATOM 33 O GLY A 4 7.677 -18.512 -14.562 1.00 0.00 O ATOM 0 H GLY A 4 7.896 -21.352 -14.981 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.138 -20.511 -14.793 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.061 -20.171 -13.342 1.00 0.00 H new ATOM 37 N SER A 5 6.173 -18.733 -16.220 1.00 0.00 N ATOM 38 CA SER A 5 6.649 -17.568 -16.956 1.00 0.00 C ATOM 39 C SER A 5 5.483 -16.684 -17.386 1.00 0.00 C ATOM 40 O SER A 5 4.359 -17.156 -17.552 1.00 0.00 O ATOM 41 CB SER A 5 7.452 -18.004 -18.183 1.00 0.00 C ATOM 42 OG SER A 5 6.605 -18.563 -19.172 1.00 0.00 O ATOM 0 H SER A 5 5.389 -19.217 -16.658 1.00 0.00 H new ATOM 0 HA SER A 5 7.296 -16.992 -16.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.984 -17.148 -18.597 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.205 -18.735 -17.888 1.00 0.00 H new ATOM 0 HG SER A 5 7.141 -18.833 -19.947 1.00 0.00 H new ATOM 48 N SER A 6 5.759 -15.395 -17.563 1.00 0.00 N ATOM 49 CA SER A 6 4.733 -14.442 -17.969 1.00 0.00 C ATOM 50 C SER A 6 5.229 -13.566 -19.117 1.00 0.00 C ATOM 51 O SER A 6 6.433 -13.396 -19.307 1.00 0.00 O ATOM 52 CB SER A 6 4.322 -13.566 -16.784 1.00 0.00 C ATOM 53 OG SER A 6 3.013 -13.051 -16.960 1.00 0.00 O ATOM 0 H SER A 6 6.685 -14.987 -17.431 1.00 0.00 H new ATOM 0 HA SER A 6 3.865 -15.005 -18.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.366 -14.149 -15.864 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.028 -12.743 -16.674 1.00 0.00 H new ATOM 0 HG SER A 6 2.773 -12.496 -16.189 1.00 0.00 H new ATOM 59 N GLY A 7 4.290 -13.013 -19.879 1.00 0.00 N ATOM 60 CA GLY A 7 4.651 -12.161 -20.998 1.00 0.00 C ATOM 61 C GLY A 7 3.991 -10.799 -20.924 1.00 0.00 C ATOM 62 O GLY A 7 2.767 -10.690 -20.994 1.00 0.00 O ATOM 0 H GLY A 7 3.287 -13.139 -19.742 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.734 -12.036 -21.022 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.366 -12.650 -21.930 1.00 0.00 H new ATOM 66 N ALA A 8 4.803 -9.756 -20.784 1.00 0.00 N ATOM 67 CA ALA A 8 4.291 -8.394 -20.702 1.00 0.00 C ATOM 68 C ALA A 8 3.965 -7.845 -22.087 1.00 0.00 C ATOM 69 O ALA A 8 4.836 -7.762 -22.954 1.00 0.00 O ATOM 70 CB ALA A 8 5.295 -7.493 -19.999 1.00 0.00 C ATOM 0 H ALA A 8 5.819 -9.829 -20.725 1.00 0.00 H new ATOM 0 HA ALA A 8 3.369 -8.414 -20.121 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.899 -6.479 -19.945 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.475 -7.866 -18.991 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.232 -7.487 -20.557 1.00 0.00 H new ATOM 76 N TYR A 9 2.704 -7.475 -22.290 1.00 0.00 N ATOM 77 CA TYR A 9 2.263 -6.939 -23.572 1.00 0.00 C ATOM 78 C TYR A 9 1.545 -5.605 -23.385 1.00 0.00 C ATOM 79 O TYR A 9 0.889 -5.361 -22.373 1.00 0.00 O ATOM 80 CB TYR A 9 1.339 -7.935 -24.275 1.00 0.00 C ATOM 81 CG TYR A 9 1.912 -9.330 -24.365 1.00 0.00 C ATOM 82 CD1 TYR A 9 3.169 -9.554 -24.913 1.00 0.00 C ATOM 83 CD2 TYR A 9 1.196 -10.428 -23.902 1.00 0.00 C ATOM 84 CE1 TYR A 9 3.696 -10.828 -24.998 1.00 0.00 C ATOM 85 CE2 TYR A 9 1.716 -11.705 -23.982 1.00 0.00 C ATOM 86 CZ TYR A 9 2.965 -11.901 -24.532 1.00 0.00 C ATOM 87 OH TYR A 9 3.486 -13.172 -24.614 1.00 0.00 O ATOM 0 H TYR A 9 1.971 -7.537 -21.584 1.00 0.00 H new ATOM 0 HA TYR A 9 3.145 -6.774 -24.191 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.389 -7.975 -23.742 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.126 -7.573 -25.281 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.745 -8.717 -25.279 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.216 -10.280 -23.472 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.675 -10.983 -25.427 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.147 -12.546 -23.615 1.00 0.00 H new ATOM 0 HH TYR A 9 2.845 -13.813 -24.241 1.00 0.00 H new ATOM 97 N PRO A 10 1.670 -4.721 -24.387 1.00 0.00 N ATOM 98 CA PRO A 10 1.038 -3.399 -24.359 1.00 0.00 C ATOM 99 C PRO A 10 -0.479 -3.477 -24.488 1.00 0.00 C ATOM 100 O PRO A 10 -1.015 -3.537 -25.593 1.00 0.00 O ATOM 101 CB PRO A 10 1.642 -2.693 -25.575 1.00 0.00 C ATOM 102 CG PRO A 10 2.029 -3.794 -26.500 1.00 0.00 C ATOM 103 CD PRO A 10 2.437 -4.947 -25.623 1.00 0.00 C ATOM 0 HA PRO A 10 1.216 -2.883 -23.416 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.922 -2.020 -26.040 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.506 -2.090 -25.294 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.197 -4.071 -27.147 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.849 -3.488 -27.149 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.191 -5.906 -26.079 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.511 -4.949 -25.435 1.00 0.00 H new ATOM 111 N ASP A 11 -1.164 -3.477 -23.349 1.00 0.00 N ATOM 112 CA ASP A 11 -2.621 -3.547 -23.334 1.00 0.00 C ATOM 113 C ASP A 11 -3.218 -2.298 -22.694 1.00 0.00 C ATOM 114 O ASP A 11 -2.619 -1.699 -21.801 1.00 0.00 O ATOM 115 CB ASP A 11 -3.085 -4.795 -22.580 1.00 0.00 C ATOM 116 CG ASP A 11 -4.432 -5.295 -23.064 1.00 0.00 C ATOM 117 OD1 ASP A 11 -5.440 -4.591 -22.849 1.00 0.00 O ATOM 118 OD2 ASP A 11 -4.477 -6.392 -23.660 1.00 0.00 O ATOM 0 H ASP A 11 -0.734 -3.429 -22.425 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.969 -3.606 -24.365 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.343 -5.585 -22.699 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.145 -4.571 -21.515 1.00 0.00 H new ATOM 123 N PHE A 12 -4.402 -1.911 -23.156 1.00 0.00 N ATOM 124 CA PHE A 12 -5.080 -0.732 -22.630 1.00 0.00 C ATOM 125 C PHE A 12 -6.384 -1.117 -21.938 1.00 0.00 C ATOM 126 O PHE A 12 -7.301 -1.647 -22.567 1.00 0.00 O ATOM 127 CB PHE A 12 -5.363 0.264 -23.756 1.00 0.00 C ATOM 128 CG PHE A 12 -6.435 1.261 -23.419 1.00 0.00 C ATOM 129 CD1 PHE A 12 -6.133 2.405 -22.696 1.00 0.00 C ATOM 130 CD2 PHE A 12 -7.743 1.055 -23.824 1.00 0.00 C ATOM 131 CE1 PHE A 12 -7.118 3.323 -22.384 1.00 0.00 C ATOM 132 CE2 PHE A 12 -8.731 1.972 -23.518 1.00 0.00 C ATOM 133 CZ PHE A 12 -8.418 3.107 -22.795 1.00 0.00 C ATOM 0 H PHE A 12 -4.912 -2.397 -23.894 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.424 -0.264 -21.896 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.444 0.798 -23.997 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.657 -0.285 -24.651 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.117 2.581 -22.373 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.994 0.167 -24.386 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.871 4.209 -21.819 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.746 1.801 -23.844 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.189 3.824 -22.552 1.00 0.00 H new ATOM 143 N ALA A 13 -6.460 -0.850 -20.639 1.00 0.00 N ATOM 144 CA ALA A 13 -7.651 -1.167 -19.861 1.00 0.00 C ATOM 145 C ALA A 13 -7.793 -0.231 -18.666 1.00 0.00 C ATOM 146 O ALA A 13 -6.816 0.124 -18.005 1.00 0.00 O ATOM 147 CB ALA A 13 -7.608 -2.615 -19.397 1.00 0.00 C ATOM 0 H ALA A 13 -5.710 -0.414 -20.102 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.521 -1.028 -20.503 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.504 -2.838 -18.817 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.564 -3.274 -20.264 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.726 -2.772 -18.777 1.00 0.00 H new ATOM 153 N PRO A 14 -9.037 0.182 -18.380 1.00 0.00 N ATOM 154 CA PRO A 14 -9.335 1.084 -17.264 1.00 0.00 C ATOM 155 C PRO A 14 -9.141 0.411 -15.908 1.00 0.00 C ATOM 156 O PRO A 14 -9.230 -0.809 -15.794 1.00 0.00 O ATOM 157 CB PRO A 14 -10.808 1.439 -17.478 1.00 0.00 C ATOM 158 CG PRO A 14 -11.366 0.293 -18.249 1.00 0.00 C ATOM 159 CD PRO A 14 -10.248 -0.200 -19.125 1.00 0.00 C ATOM 0 HA PRO A 14 -8.672 1.949 -17.251 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.326 1.567 -16.528 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.914 2.375 -18.027 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.714 -0.494 -17.581 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.222 0.605 -18.847 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.303 -1.278 -19.278 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.276 0.263 -20.111 1.00 0.00 H new ATOM 167 N GLN A 15 -8.878 1.219 -14.886 1.00 0.00 N ATOM 168 CA GLN A 15 -8.672 0.701 -13.538 1.00 0.00 C ATOM 169 C GLN A 15 -9.192 1.681 -12.493 1.00 0.00 C ATOM 170 O GLN A 15 -9.573 2.806 -12.816 1.00 0.00 O ATOM 171 CB GLN A 15 -7.188 0.421 -13.298 1.00 0.00 C ATOM 172 CG GLN A 15 -6.713 -0.897 -13.890 1.00 0.00 C ATOM 173 CD GLN A 15 -5.555 -1.500 -13.118 1.00 0.00 C ATOM 174 OE1 GLN A 15 -5.633 -1.681 -11.903 1.00 0.00 O ATOM 175 NE2 GLN A 15 -4.474 -1.814 -13.821 1.00 0.00 N ATOM 0 H GLN A 15 -8.803 2.233 -14.965 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.230 -0.231 -13.445 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.600 1.234 -13.724 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.996 0.418 -12.225 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.542 -1.604 -13.905 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.411 -0.738 -14.925 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.453 -1.646 -14.827 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.664 -2.223 -13.355 1.00 0.00 H new ATOM 184 N LYS A 16 -9.208 1.246 -11.236 1.00 0.00 N ATOM 185 CA LYS A 16 -9.681 2.085 -10.141 1.00 0.00 C ATOM 186 C LYS A 16 -8.890 1.811 -8.867 1.00 0.00 C ATOM 187 O LYS A 16 -8.641 0.659 -8.512 1.00 0.00 O ATOM 188 CB LYS A 16 -11.171 1.841 -9.892 1.00 0.00 C ATOM 189 CG LYS A 16 -11.511 0.387 -9.614 1.00 0.00 C ATOM 190 CD LYS A 16 -12.819 0.257 -8.853 1.00 0.00 C ATOM 191 CE LYS A 16 -12.924 -1.089 -8.151 1.00 0.00 C ATOM 192 NZ LYS A 16 -12.003 -1.180 -6.985 1.00 0.00 N ATOM 0 H LYS A 16 -8.899 0.317 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.532 3.127 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.494 2.449 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.736 2.178 -10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.581 -0.158 -10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.707 -0.072 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.895 1.059 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.655 0.376 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.950 -1.245 -7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.694 -1.886 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.286 -1.978 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.030 -1.329 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.048 -0.297 -6.437 1.00 0.00 H new ATOM 206 N PHE A 17 -8.497 2.880 -8.180 1.00 0.00 N ATOM 207 CA PHE A 17 -7.734 2.755 -6.943 1.00 0.00 C ATOM 208 C PHE A 17 -8.572 2.095 -5.851 1.00 0.00 C ATOM 209 O PHE A 17 -9.761 2.386 -5.704 1.00 0.00 O ATOM 210 CB PHE A 17 -7.256 4.129 -6.473 1.00 0.00 C ATOM 211 CG PHE A 17 -6.594 4.106 -5.126 1.00 0.00 C ATOM 212 CD1 PHE A 17 -5.346 3.527 -4.960 1.00 0.00 C ATOM 213 CD2 PHE A 17 -7.221 4.662 -4.021 1.00 0.00 C ATOM 214 CE1 PHE A 17 -4.735 3.504 -3.722 1.00 0.00 C ATOM 215 CE2 PHE A 17 -6.614 4.642 -2.780 1.00 0.00 C ATOM 216 CZ PHE A 17 -5.370 4.061 -2.629 1.00 0.00 C ATOM 0 H PHE A 17 -8.694 3.841 -8.459 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.867 2.125 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.556 4.531 -7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.108 4.809 -6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.845 3.088 -5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.195 5.116 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.761 3.051 -3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.112 5.081 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.895 4.042 -1.659 1.00 0.00 H new ATOM 226 N LYS A 18 -7.946 1.206 -5.088 1.00 0.00 N ATOM 227 CA LYS A 18 -8.631 0.504 -4.010 1.00 0.00 C ATOM 228 C LYS A 18 -8.505 1.272 -2.696 1.00 0.00 C ATOM 229 O LYS A 18 -7.454 1.834 -2.395 1.00 0.00 O ATOM 230 CB LYS A 18 -8.059 -0.905 -3.846 1.00 0.00 C ATOM 231 CG LYS A 18 -8.533 -1.881 -4.910 1.00 0.00 C ATOM 232 CD LYS A 18 -7.718 -3.162 -4.893 1.00 0.00 C ATOM 233 CE LYS A 18 -8.447 -4.295 -5.600 1.00 0.00 C ATOM 234 NZ LYS A 18 -7.504 -5.329 -6.108 1.00 0.00 N ATOM 0 H LYS A 18 -6.964 0.954 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.687 0.432 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.971 -0.852 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.336 -1.288 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.585 -2.116 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.459 -1.414 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.756 -2.989 -5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.510 -3.449 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.156 -4.756 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.026 -3.892 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.039 -6.084 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.844 -4.895 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.969 -5.732 -5.312 1.00 0.00 H new ATOM 248 N GLU A 19 -9.584 1.287 -1.921 1.00 0.00 N ATOM 249 CA GLU A 19 -9.592 1.984 -0.639 1.00 0.00 C ATOM 250 C GLU A 19 -9.222 1.036 0.498 1.00 0.00 C ATOM 251 O GLU A 19 -9.216 -0.183 0.329 1.00 0.00 O ATOM 252 CB GLU A 19 -10.969 2.599 -0.377 1.00 0.00 C ATOM 253 CG GLU A 19 -11.310 3.748 -1.311 1.00 0.00 C ATOM 254 CD GLU A 19 -10.714 5.066 -0.857 1.00 0.00 C ATOM 255 OE1 GLU A 19 -10.738 5.339 0.361 1.00 0.00 O ATOM 256 OE2 GLU A 19 -10.224 5.824 -1.720 1.00 0.00 O ATOM 0 H GLU A 19 -10.463 0.826 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.848 2.780 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.729 1.824 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.009 2.955 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.949 3.516 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.393 3.847 -1.378 1.00 0.00 H new ATOM 263 N LYS A 20 -8.913 1.607 1.657 1.00 0.00 N ATOM 264 CA LYS A 20 -8.542 0.816 2.824 1.00 0.00 C ATOM 265 C LYS A 20 -9.356 1.231 4.046 1.00 0.00 C ATOM 266 O LYS A 20 -9.634 2.414 4.247 1.00 0.00 O ATOM 267 CB LYS A 20 -7.048 0.970 3.118 1.00 0.00 C ATOM 268 CG LYS A 20 -6.180 -0.057 2.411 1.00 0.00 C ATOM 269 CD LYS A 20 -4.754 0.439 2.243 1.00 0.00 C ATOM 270 CE LYS A 20 -4.575 1.186 0.931 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.170 1.641 0.739 1.00 0.00 N ATOM 0 H LYS A 20 -8.912 2.615 1.813 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.757 -0.230 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.729 1.969 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.888 0.890 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.178 -0.987 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.605 -0.283 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.495 1.095 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.067 -0.407 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.864 0.539 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.242 2.048 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.093 2.161 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.897 2.265 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.538 0.816 0.716 1.00 0.00 H new ATOM 285 N THR A 21 -9.734 0.252 4.861 1.00 0.00 N ATOM 286 CA THR A 21 -10.515 0.517 6.062 1.00 0.00 C ATOM 287 C THR A 21 -9.610 0.776 7.262 1.00 0.00 C ATOM 288 O THR A 21 -8.441 0.395 7.260 1.00 0.00 O ATOM 289 CB THR A 21 -11.459 -0.657 6.390 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.713 -1.876 6.468 1.00 0.00 O ATOM 291 CG2 THR A 21 -12.546 -0.789 5.333 1.00 0.00 C ATOM 0 H THR A 21 -9.512 -0.732 4.711 1.00 0.00 H new ATOM 0 HA THR A 21 -11.110 1.407 5.860 1.00 0.00 H new ATOM 0 HB THR A 21 -11.932 -0.457 7.352 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.530 -2.206 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.200 -1.624 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.130 0.131 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.088 -0.968 4.360 1.00 0.00 H new ATOM 299 N GLN A 22 -10.160 1.424 8.282 1.00 0.00 N ATOM 300 CA GLN A 22 -9.400 1.733 9.488 1.00 0.00 C ATOM 301 C GLN A 22 -8.530 0.551 9.902 1.00 0.00 C ATOM 302 O GLN A 22 -7.356 0.715 10.229 1.00 0.00 O ATOM 303 CB GLN A 22 -10.346 2.111 10.630 1.00 0.00 C ATOM 304 CG GLN A 22 -10.836 3.549 10.565 1.00 0.00 C ATOM 305 CD GLN A 22 -11.564 3.976 11.824 1.00 0.00 C ATOM 306 OE1 GLN A 22 -12.721 3.615 12.038 1.00 0.00 O ATOM 307 NE2 GLN A 22 -10.887 4.748 12.666 1.00 0.00 N ATOM 0 H GLN A 22 -11.128 1.745 8.299 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.749 2.580 9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.206 1.442 10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.836 1.952 11.580 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.986 4.211 10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.501 3.664 9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.929 5.023 12.448 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.325 5.066 13.531 1.00 0.00 H new ATOM 316 N GLY A 23 -9.117 -0.642 9.886 1.00 0.00 N ATOM 317 CA GLY A 23 -8.382 -1.834 10.262 1.00 0.00 C ATOM 318 C GLY A 23 -7.168 -2.069 9.384 1.00 0.00 C ATOM 319 O GLY A 23 -6.038 -2.096 9.871 1.00 0.00 O ATOM 0 H GLY A 23 -10.088 -0.803 9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.064 -1.748 11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.043 -2.699 10.202 1.00 0.00 H new ATOM 323 N GLN A 24 -7.403 -2.241 8.088 1.00 0.00 N ATOM 324 CA GLN A 24 -6.320 -2.477 7.139 1.00 0.00 C ATOM 325 C GLN A 24 -5.202 -1.455 7.326 1.00 0.00 C ATOM 326 O GLN A 24 -4.047 -1.818 7.551 1.00 0.00 O ATOM 327 CB GLN A 24 -6.847 -2.417 5.705 1.00 0.00 C ATOM 328 CG GLN A 24 -7.782 -3.563 5.352 1.00 0.00 C ATOM 329 CD GLN A 24 -8.622 -3.273 4.124 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.852 -3.276 4.186 1.00 0.00 O ATOM 331 NE2 GLN A 24 -7.962 -3.020 3.001 1.00 0.00 N ATOM 0 H GLN A 24 -8.333 -2.222 7.670 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.915 -3.471 7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.372 -1.473 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.003 -2.423 5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.196 -4.466 5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.439 -3.765 6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.942 -3.028 2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.475 -2.817 2.143 1.00 0.00 H new ATOM 340 N VAL A 25 -5.552 -0.177 7.230 1.00 0.00 N ATOM 341 CA VAL A 25 -4.580 0.897 7.389 1.00 0.00 C ATOM 342 C VAL A 25 -3.760 0.713 8.661 1.00 0.00 C ATOM 343 O VAL A 25 -2.545 0.907 8.664 1.00 0.00 O ATOM 344 CB VAL A 25 -5.265 2.276 7.427 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.241 3.377 7.656 1.00 0.00 C ATOM 346 CG2 VAL A 25 -6.044 2.518 6.143 1.00 0.00 C ATOM 0 H VAL A 25 -6.503 0.140 7.043 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.918 0.854 6.524 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.968 2.290 8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.745 4.343 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.733 3.209 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.510 3.368 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.522 3.497 6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.363 2.484 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.806 1.747 6.029 1.00 0.00 H new ATOM 356 N LYS A 26 -4.435 0.338 9.743 1.00 0.00 N ATOM 357 CA LYS A 26 -3.771 0.126 11.024 1.00 0.00 C ATOM 358 C LYS A 26 -2.647 -0.896 10.890 1.00 0.00 C ATOM 359 O LYS A 26 -1.561 -0.715 11.444 1.00 0.00 O ATOM 360 CB LYS A 26 -4.780 -0.346 12.073 1.00 0.00 C ATOM 361 CG LYS A 26 -4.374 -0.018 13.499 1.00 0.00 C ATOM 362 CD LYS A 26 -3.340 -1.001 14.023 1.00 0.00 C ATOM 363 CE LYS A 26 -2.432 -0.355 15.059 1.00 0.00 C ATOM 364 NZ LYS A 26 -3.188 0.081 16.266 1.00 0.00 N ATOM 0 H LYS A 26 -5.442 0.175 9.758 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.341 1.075 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.748 0.111 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.910 -1.424 11.980 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.970 0.993 13.540 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.254 -0.036 14.142 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.844 -1.860 14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.739 -1.375 13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.656 -1.062 15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.929 0.504 14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.525 0.454 16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.866 0.824 16.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.702 -0.730 16.666 1.00 0.00 H new ATOM 378 N ILE A 27 -2.912 -1.970 10.154 1.00 0.00 N ATOM 379 CA ILE A 27 -1.921 -3.018 9.946 1.00 0.00 C ATOM 380 C ILE A 27 -0.713 -2.489 9.179 1.00 0.00 C ATOM 381 O ILE A 27 0.426 -2.870 9.453 1.00 0.00 O ATOM 382 CB ILE A 27 -2.518 -4.213 9.180 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.732 -4.769 9.926 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.467 -5.296 8.986 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.632 -5.625 9.062 1.00 0.00 C ATOM 0 H ILE A 27 -3.806 -2.137 9.691 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.603 -3.352 10.934 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.844 -3.870 8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.388 -5.360 10.775 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.312 -3.939 10.330 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.904 -6.134 8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.629 -4.892 8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.114 -5.639 9.959 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.472 -5.985 9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.006 -5.032 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.067 -6.475 8.679 1.00 0.00 H new ATOM 397 N LEU A 28 -0.969 -1.609 8.217 1.00 0.00 N ATOM 398 CA LEU A 28 0.096 -1.025 7.410 1.00 0.00 C ATOM 399 C LEU A 28 0.913 -0.027 8.227 1.00 0.00 C ATOM 400 O LEU A 28 2.143 -0.045 8.196 1.00 0.00 O ATOM 401 CB LEU A 28 -0.490 -0.334 6.178 1.00 0.00 C ATOM 402 CG LEU A 28 -1.275 -1.227 5.219 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.819 -0.413 4.055 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.402 -2.365 4.713 1.00 0.00 C ATOM 0 H LEU A 28 -1.906 -1.284 7.977 1.00 0.00 H new ATOM 0 HA LEU A 28 0.756 -1.830 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.146 0.469 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.326 0.131 5.624 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.118 -1.656 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.375 -1.066 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.481 0.366 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.992 0.045 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.978 -2.990 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.461 -1.956 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.062 -2.966 5.557 1.00 0.00 H new ATOM 416 N GLU A 29 0.219 0.840 8.958 1.00 0.00 N ATOM 417 CA GLU A 29 0.881 1.844 9.782 1.00 0.00 C ATOM 418 C GLU A 29 1.893 1.195 10.722 1.00 0.00 C ATOM 419 O GLU A 29 3.060 1.582 10.759 1.00 0.00 O ATOM 420 CB GLU A 29 -0.151 2.632 10.591 1.00 0.00 C ATOM 421 CG GLU A 29 -0.670 3.870 9.877 1.00 0.00 C ATOM 422 CD GLU A 29 -1.987 4.360 10.443 1.00 0.00 C ATOM 423 OE1 GLU A 29 -2.818 3.515 10.836 1.00 0.00 O ATOM 424 OE2 GLU A 29 -2.188 5.592 10.494 1.00 0.00 O ATOM 0 H GLU A 29 -0.800 0.867 8.996 1.00 0.00 H new ATOM 0 HA GLU A 29 1.413 2.528 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.992 1.979 10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.295 2.930 11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.072 4.665 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.794 3.648 8.817 1.00 0.00 H new ATOM 431 N ASP A 30 1.435 0.205 11.481 1.00 0.00 N ATOM 432 CA ASP A 30 2.298 -0.500 12.422 1.00 0.00 C ATOM 433 C ASP A 30 3.564 -0.996 11.731 1.00 0.00 C ATOM 434 O ASP A 30 4.661 -0.905 12.281 1.00 0.00 O ATOM 435 CB ASP A 30 1.551 -1.676 13.052 1.00 0.00 C ATOM 436 CG ASP A 30 2.246 -2.207 14.289 1.00 0.00 C ATOM 437 OD1 ASP A 30 3.376 -2.724 14.162 1.00 0.00 O ATOM 438 OD2 ASP A 30 1.659 -2.106 15.388 1.00 0.00 O ATOM 0 H ASP A 30 0.471 -0.127 11.463 1.00 0.00 H new ATOM 0 HA ASP A 30 2.584 0.199 13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.540 -1.363 13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.457 -2.478 12.319 1.00 0.00 H new ATOM 443 N SER A 31 3.403 -1.524 10.521 1.00 0.00 N ATOM 444 CA SER A 31 4.531 -2.040 9.754 1.00 0.00 C ATOM 445 C SER A 31 5.507 -0.921 9.404 1.00 0.00 C ATOM 446 O SER A 31 6.712 -1.040 9.623 1.00 0.00 O ATOM 447 CB SER A 31 4.039 -2.723 8.478 1.00 0.00 C ATOM 448 OG SER A 31 4.911 -3.770 8.091 1.00 0.00 O ATOM 0 H SER A 31 2.502 -1.606 10.051 1.00 0.00 H new ATOM 0 HA SER A 31 5.052 -2.773 10.370 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.037 -3.121 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.967 -1.990 7.674 1.00 0.00 H new ATOM 0 HG SER A 31 5.602 -3.416 7.492 1.00 0.00 H new ATOM 454 N PHE A 32 4.976 0.168 8.856 1.00 0.00 N ATOM 455 CA PHE A 32 5.799 1.309 8.473 1.00 0.00 C ATOM 456 C PHE A 32 6.453 1.944 9.697 1.00 0.00 C ATOM 457 O PHE A 32 7.675 1.907 9.852 1.00 0.00 O ATOM 458 CB PHE A 32 4.954 2.349 7.734 1.00 0.00 C ATOM 459 CG PHE A 32 5.767 3.432 7.086 1.00 0.00 C ATOM 460 CD1 PHE A 32 6.276 4.479 7.839 1.00 0.00 C ATOM 461 CD2 PHE A 32 6.024 3.403 5.725 1.00 0.00 C ATOM 462 CE1 PHE A 32 7.024 5.478 7.245 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.771 4.399 5.126 1.00 0.00 C ATOM 464 CZ PHE A 32 7.274 5.437 5.886 1.00 0.00 C ATOM 0 H PHE A 32 3.980 0.284 8.668 1.00 0.00 H new ATOM 0 HA PHE A 32 6.585 0.951 7.808 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.359 1.846 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.254 2.802 8.436 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.086 4.514 8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.636 2.593 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.413 6.290 7.842 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.962 4.366 4.063 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.861 6.214 5.420 1.00 0.00 H new ATOM 474 N LEU A 33 5.630 2.528 10.563 1.00 0.00 N ATOM 475 CA LEU A 33 6.128 3.172 11.773 1.00 0.00 C ATOM 476 C LEU A 33 7.341 2.432 12.326 1.00 0.00 C ATOM 477 O LEU A 33 8.270 3.045 12.851 1.00 0.00 O ATOM 478 CB LEU A 33 5.026 3.230 12.833 1.00 0.00 C ATOM 479 CG LEU A 33 3.830 4.125 12.508 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.694 3.875 13.487 1.00 0.00 C ATOM 481 CD2 LEU A 33 4.238 5.590 12.527 1.00 0.00 C ATOM 0 H LEU A 33 4.617 2.568 10.449 1.00 0.00 H new ATOM 0 HA LEU A 33 6.432 4.187 11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.661 2.217 13.005 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.467 3.573 13.769 1.00 0.00 H new ATOM 0 HG LEU A 33 3.480 3.879 11.506 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.852 4.521 13.240 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.382 2.832 13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.032 4.092 14.500 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.374 6.211 12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.615 5.850 13.516 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.018 5.760 11.785 1.00 0.00 H new ATOM 493 N LYS A 34 7.327 1.108 12.203 1.00 0.00 N ATOM 494 CA LYS A 34 8.428 0.283 12.686 1.00 0.00 C ATOM 495 C LYS A 34 9.585 0.282 11.692 1.00 0.00 C ATOM 496 O LYS A 34 10.722 0.587 12.049 1.00 0.00 O ATOM 497 CB LYS A 34 7.949 -1.151 12.927 1.00 0.00 C ATOM 498 CG LYS A 34 7.329 -1.361 14.299 1.00 0.00 C ATOM 499 CD LYS A 34 6.909 -2.807 14.504 1.00 0.00 C ATOM 500 CE LYS A 34 6.573 -3.089 15.960 1.00 0.00 C ATOM 501 NZ LYS A 34 5.168 -2.716 16.287 1.00 0.00 N ATOM 0 H LYS A 34 6.565 0.584 11.773 1.00 0.00 H new ATOM 0 HA LYS A 34 8.781 0.706 13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.218 -1.415 12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.792 -1.832 12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.044 -1.076 15.070 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.462 -0.710 14.412 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.043 -3.027 13.880 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.712 -3.469 14.180 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.726 -4.148 16.170 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.255 -2.535 16.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.755 -3.435 16.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.156 -1.791 16.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.610 -2.661 15.411 1.00 0.00 H new ATOM 515 N SER A 35 9.286 -0.060 10.443 1.00 0.00 N ATOM 516 CA SER A 35 10.302 -0.103 9.398 1.00 0.00 C ATOM 517 C SER A 35 9.775 0.505 8.102 1.00 0.00 C ATOM 518 O SER A 35 8.973 -0.108 7.397 1.00 0.00 O ATOM 519 CB SER A 35 10.753 -1.544 9.152 1.00 0.00 C ATOM 520 OG SER A 35 11.323 -2.106 10.321 1.00 0.00 O ATOM 0 H SER A 35 8.348 -0.311 10.130 1.00 0.00 H new ATOM 0 HA SER A 35 11.157 0.484 9.734 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.902 -2.146 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.481 -1.567 8.341 1.00 0.00 H new ATOM 0 HG SER A 35 11.602 -3.028 10.138 1.00 0.00 H new ATOM 526 N SER A 36 10.230 1.715 7.795 1.00 0.00 N ATOM 527 CA SER A 36 9.801 2.410 6.586 1.00 0.00 C ATOM 528 C SER A 36 9.812 1.467 5.386 1.00 0.00 C ATOM 529 O SER A 36 8.913 1.504 4.545 1.00 0.00 O ATOM 530 CB SER A 36 10.708 3.612 6.313 1.00 0.00 C ATOM 531 OG SER A 36 12.062 3.211 6.196 1.00 0.00 O ATOM 0 H SER A 36 10.896 2.235 8.366 1.00 0.00 H new ATOM 0 HA SER A 36 8.781 2.762 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.392 4.110 5.396 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.609 4.338 7.120 1.00 0.00 H new ATOM 0 HG SER A 36 12.622 3.996 6.020 1.00 0.00 H new ATOM 537 N PHE A 37 10.836 0.622 5.314 1.00 0.00 N ATOM 538 CA PHE A 37 10.966 -0.329 4.217 1.00 0.00 C ATOM 539 C PHE A 37 10.791 -1.761 4.716 1.00 0.00 C ATOM 540 O PHE A 37 11.697 -2.355 5.304 1.00 0.00 O ATOM 541 CB PHE A 37 12.328 -0.176 3.538 1.00 0.00 C ATOM 542 CG PHE A 37 12.324 0.806 2.402 1.00 0.00 C ATOM 543 CD1 PHE A 37 11.835 2.089 2.579 1.00 0.00 C ATOM 544 CD2 PHE A 37 12.811 0.445 1.155 1.00 0.00 C ATOM 545 CE1 PHE A 37 11.829 2.995 1.533 1.00 0.00 C ATOM 546 CE2 PHE A 37 12.809 1.345 0.107 1.00 0.00 C ATOM 547 CZ PHE A 37 12.319 2.622 0.297 1.00 0.00 C ATOM 0 H PHE A 37 11.587 0.577 6.002 1.00 0.00 H new ATOM 0 HA PHE A 37 10.181 -0.117 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.061 0.141 4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.651 -1.148 3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.454 2.386 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.197 -0.552 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.442 3.992 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 37 13.190 1.050 -0.860 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.319 3.328 -0.520 1.00 0.00 H new ATOM 557 N PRO A 38 9.601 -2.329 4.478 1.00 0.00 N ATOM 558 CA PRO A 38 9.279 -3.698 4.894 1.00 0.00 C ATOM 559 C PRO A 38 10.048 -4.744 4.094 1.00 0.00 C ATOM 560 O PRO A 38 10.528 -4.469 2.994 1.00 0.00 O ATOM 561 CB PRO A 38 7.778 -3.811 4.616 1.00 0.00 C ATOM 562 CG PRO A 38 7.516 -2.814 3.541 1.00 0.00 C ATOM 563 CD PRO A 38 8.475 -1.682 3.782 1.00 0.00 C ATOM 0 HA PRO A 38 9.549 -3.881 5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.509 -4.818 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.192 -3.593 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.671 -3.253 2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.484 -2.465 3.576 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.793 -1.219 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.025 -0.897 4.390 1.00 0.00 H new ATOM 571 N THR A 39 10.164 -5.944 4.654 1.00 0.00 N ATOM 572 CA THR A 39 10.874 -7.031 3.993 1.00 0.00 C ATOM 573 C THR A 39 9.903 -8.056 3.419 1.00 0.00 C ATOM 574 O THR A 39 8.752 -8.140 3.848 1.00 0.00 O ATOM 575 CB THR A 39 11.841 -7.740 4.960 1.00 0.00 C ATOM 576 OG1 THR A 39 12.357 -8.929 4.351 1.00 0.00 O ATOM 577 CG2 THR A 39 11.139 -8.094 6.262 1.00 0.00 C ATOM 0 H THR A 39 9.775 -6.187 5.565 1.00 0.00 H new ATOM 0 HA THR A 39 11.447 -6.585 3.180 1.00 0.00 H new ATOM 0 HB THR A 39 12.663 -7.060 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.972 -9.373 4.971 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.841 -8.594 6.930 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.772 -7.184 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.300 -8.758 6.054 1.00 0.00 H new ATOM 585 N GLN A 40 10.374 -8.835 2.452 1.00 0.00 N ATOM 586 CA GLN A 40 9.544 -9.856 1.822 1.00 0.00 C ATOM 587 C GLN A 40 8.580 -10.473 2.830 1.00 0.00 C ATOM 588 O GLN A 40 7.364 -10.354 2.691 1.00 0.00 O ATOM 589 CB GLN A 40 10.422 -10.946 1.205 1.00 0.00 C ATOM 590 CG GLN A 40 11.316 -10.445 0.082 1.00 0.00 C ATOM 591 CD GLN A 40 10.530 -9.960 -1.119 1.00 0.00 C ATOM 592 OE1 GLN A 40 9.894 -10.749 -1.817 1.00 0.00 O ATOM 593 NE2 GLN A 40 10.570 -8.656 -1.367 1.00 0.00 N ATOM 0 H GLN A 40 11.325 -8.780 2.087 1.00 0.00 H new ATOM 0 HA GLN A 40 8.960 -9.379 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.044 -11.384 1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.783 -11.742 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.940 -9.633 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.987 -11.246 -0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.110 -8.038 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.060 -8.272 -2.163 1.00 0.00 H new ATOM 602 N ALA A 41 9.133 -11.132 3.842 1.00 0.00 N ATOM 603 CA ALA A 41 8.321 -11.766 4.874 1.00 0.00 C ATOM 604 C ALA A 41 7.200 -10.843 5.335 1.00 0.00 C ATOM 605 O ALA A 41 6.029 -11.221 5.326 1.00 0.00 O ATOM 606 CB ALA A 41 9.192 -12.173 6.054 1.00 0.00 C ATOM 0 H ALA A 41 10.139 -11.241 3.970 1.00 0.00 H new ATOM 0 HA ALA A 41 7.866 -12.660 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.573 -12.645 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.954 -12.876 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.673 -11.289 6.473 1.00 0.00 H new ATOM 612 N GLU A 42 7.567 -9.629 5.740 1.00 0.00 N ATOM 613 CA GLU A 42 6.590 -8.653 6.206 1.00 0.00 C ATOM 614 C GLU A 42 5.487 -8.449 5.171 1.00 0.00 C ATOM 615 O GLU A 42 4.337 -8.831 5.390 1.00 0.00 O ATOM 616 CB GLU A 42 7.274 -7.318 6.508 1.00 0.00 C ATOM 617 CG GLU A 42 6.642 -6.557 7.659 1.00 0.00 C ATOM 618 CD GLU A 42 7.545 -5.465 8.204 1.00 0.00 C ATOM 619 OE1 GLU A 42 7.996 -4.617 7.405 1.00 0.00 O ATOM 620 OE2 GLU A 42 7.800 -5.459 9.425 1.00 0.00 O ATOM 0 H GLU A 42 8.532 -9.300 5.754 1.00 0.00 H new ATOM 0 HA GLU A 42 6.139 -9.038 7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.324 -7.501 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.247 -6.695 5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.704 -6.114 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.398 -7.255 8.460 1.00 0.00 H new ATOM 627 N LEU A 43 5.845 -7.845 4.044 1.00 0.00 N ATOM 628 CA LEU A 43 4.887 -7.589 2.974 1.00 0.00 C ATOM 629 C LEU A 43 4.014 -8.813 2.721 1.00 0.00 C ATOM 630 O LEU A 43 2.804 -8.696 2.529 1.00 0.00 O ATOM 631 CB LEU A 43 5.619 -7.196 1.691 1.00 0.00 C ATOM 632 CG LEU A 43 6.124 -5.754 1.620 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.063 -5.575 0.436 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.956 -4.783 1.528 1.00 0.00 C ATOM 0 H LEU A 43 6.793 -7.523 3.847 1.00 0.00 H new ATOM 0 HA LEU A 43 4.244 -6.765 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.470 -7.864 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.950 -7.367 0.848 1.00 0.00 H new ATOM 0 HG LEU A 43 6.678 -5.538 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.412 -4.543 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.917 -6.244 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.533 -5.810 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.335 -3.762 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.374 -4.998 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.322 -4.892 2.408 1.00 0.00 H new ATOM 646 N ASP A 44 4.635 -9.987 2.725 1.00 0.00 N ATOM 647 CA ASP A 44 3.913 -11.235 2.500 1.00 0.00 C ATOM 648 C ASP A 44 2.715 -11.345 3.436 1.00 0.00 C ATOM 649 O ASP A 44 1.665 -11.865 3.055 1.00 0.00 O ATOM 650 CB ASP A 44 4.846 -12.430 2.701 1.00 0.00 C ATOM 651 CG ASP A 44 4.192 -13.745 2.320 1.00 0.00 C ATOM 652 OD1 ASP A 44 3.567 -14.372 3.202 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.307 -14.146 1.144 1.00 0.00 O ATOM 0 H ASP A 44 5.636 -10.101 2.881 1.00 0.00 H new ATOM 0 HA ASP A 44 3.549 -11.237 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.747 -12.289 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.159 -12.472 3.744 1.00 0.00 H new ATOM 658 N ARG A 45 2.879 -10.857 4.660 1.00 0.00 N ATOM 659 CA ARG A 45 1.811 -10.904 5.651 1.00 0.00 C ATOM 660 C ARG A 45 0.918 -9.670 5.549 1.00 0.00 C ATOM 661 O ARG A 45 -0.290 -9.744 5.774 1.00 0.00 O ATOM 662 CB ARG A 45 2.398 -11.006 7.060 1.00 0.00 C ATOM 663 CG ARG A 45 1.481 -11.703 8.053 1.00 0.00 C ATOM 664 CD ARG A 45 1.725 -13.204 8.078 1.00 0.00 C ATOM 665 NE ARG A 45 3.065 -13.531 8.559 1.00 0.00 N ATOM 666 CZ ARG A 45 3.502 -14.774 8.728 1.00 0.00 C ATOM 667 NH1 ARG A 45 2.708 -15.803 8.458 1.00 0.00 N ATOM 668 NH2 ARG A 45 4.734 -14.992 9.170 1.00 0.00 N ATOM 0 H ARG A 45 3.742 -10.424 4.990 1.00 0.00 H new ATOM 0 HA ARG A 45 1.204 -11.787 5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.344 -11.545 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.620 -10.003 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.641 -11.291 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.442 -11.507 7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.983 -13.682 8.718 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.590 -13.610 7.076 1.00 0.00 H new ATOM 0 HE ARG A 45 3.700 -12.763 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.760 -15.640 8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.046 -16.756 8.589 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.347 -14.204 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.068 -15.947 9.299 1.00 0.00 H new ATOM 682 N LEU A 46 1.523 -8.538 5.205 1.00 0.00 N ATOM 683 CA LEU A 46 0.784 -7.287 5.072 1.00 0.00 C ATOM 684 C LEU A 46 -0.317 -7.413 4.022 1.00 0.00 C ATOM 685 O LEU A 46 -1.470 -7.062 4.271 1.00 0.00 O ATOM 686 CB LEU A 46 1.733 -6.147 4.696 1.00 0.00 C ATOM 687 CG LEU A 46 2.899 -5.903 5.654 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.823 -4.828 5.107 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.385 -5.516 7.033 1.00 0.00 C ATOM 0 H LEU A 46 2.522 -8.461 5.013 1.00 0.00 H new ATOM 0 HA LEU A 46 0.321 -7.064 6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.139 -6.351 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.153 -5.228 4.620 1.00 0.00 H new ATOM 0 HG LEU A 46 3.467 -6.829 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.647 -4.668 5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.219 -5.145 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.267 -3.899 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.229 -5.346 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.793 -4.604 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.765 -6.320 7.429 1.00 0.00 H new ATOM 701 N ARG A 47 0.048 -7.919 2.848 1.00 0.00 N ATOM 702 CA ARG A 47 -0.909 -8.093 1.762 1.00 0.00 C ATOM 703 C ARG A 47 -2.134 -8.870 2.235 1.00 0.00 C ATOM 704 O ARG A 47 -3.235 -8.324 2.316 1.00 0.00 O ATOM 705 CB ARG A 47 -0.252 -8.821 0.587 1.00 0.00 C ATOM 706 CG ARG A 47 0.910 -8.060 -0.027 1.00 0.00 C ATOM 707 CD ARG A 47 1.705 -8.935 -0.986 1.00 0.00 C ATOM 708 NE ARG A 47 1.676 -10.341 -0.595 1.00 0.00 N ATOM 709 CZ ARG A 47 0.704 -11.180 -0.937 1.00 0.00 C ATOM 710 NH1 ARG A 47 -0.314 -10.755 -1.674 1.00 0.00 N ATOM 711 NH2 ARG A 47 0.749 -12.446 -0.543 1.00 0.00 N ATOM 0 H ARG A 47 0.998 -8.215 2.625 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.232 -7.105 1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.101 -9.795 0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.003 -9.004 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.534 -7.185 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.566 -7.695 0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.300 -8.830 -1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.738 -8.589 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 47 2.444 -10.699 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.352 -9.782 -1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.059 -11.401 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.530 -12.776 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.002 -13.089 -0.806 1.00 0.00 H new ATOM 725 N VAL A 48 -1.936 -10.148 2.545 1.00 0.00 N ATOM 726 CA VAL A 48 -3.022 -10.999 3.011 1.00 0.00 C ATOM 727 C VAL A 48 -3.758 -10.361 4.184 1.00 0.00 C ATOM 728 O VAL A 48 -4.987 -10.289 4.194 1.00 0.00 O ATOM 729 CB VAL A 48 -2.507 -12.386 3.437 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.269 -12.251 4.311 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.597 -13.162 4.160 1.00 0.00 C ATOM 0 H VAL A 48 -1.032 -10.616 2.481 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.711 -11.116 2.174 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.232 -12.942 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.919 -13.242 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.485 -11.739 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.515 -11.676 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.214 -14.140 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.907 -12.612 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.452 -13.291 3.497 1.00 0.00 H new ATOM 741 N GLU A 49 -2.997 -9.897 5.170 1.00 0.00 N ATOM 742 CA GLU A 49 -3.578 -9.264 6.349 1.00 0.00 C ATOM 743 C GLU A 49 -4.572 -8.176 5.949 1.00 0.00 C ATOM 744 O GLU A 49 -5.766 -8.277 6.228 1.00 0.00 O ATOM 745 CB GLU A 49 -2.477 -8.666 7.228 1.00 0.00 C ATOM 746 CG GLU A 49 -1.721 -9.701 8.044 1.00 0.00 C ATOM 747 CD GLU A 49 -2.432 -10.058 9.335 1.00 0.00 C ATOM 748 OE1 GLU A 49 -3.180 -9.205 9.855 1.00 0.00 O ATOM 749 OE2 GLU A 49 -2.239 -11.190 9.825 1.00 0.00 O ATOM 0 H GLU A 49 -1.978 -9.947 5.176 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.111 -10.028 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.771 -8.128 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.920 -7.935 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.587 -10.602 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.726 -9.320 8.275 1.00 0.00 H new ATOM 756 N THR A 50 -4.068 -7.135 5.292 1.00 0.00 N ATOM 757 CA THR A 50 -4.908 -6.029 4.855 1.00 0.00 C ATOM 758 C THR A 50 -5.749 -6.421 3.644 1.00 0.00 C ATOM 759 O THR A 50 -6.596 -5.653 3.188 1.00 0.00 O ATOM 760 CB THR A 50 -4.066 -4.788 4.500 1.00 0.00 C ATOM 761 OG1 THR A 50 -3.222 -5.074 3.379 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.215 -4.357 5.686 1.00 0.00 C ATOM 0 H THR A 50 -3.082 -7.036 5.052 1.00 0.00 H new ATOM 0 HA THR A 50 -5.567 -5.786 5.689 1.00 0.00 H new ATOM 0 HB THR A 50 -4.745 -3.974 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.566 -5.757 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.629 -3.479 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.862 -4.114 6.529 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.544 -5.169 5.966 1.00 0.00 H new ATOM 770 N LYS A 51 -5.508 -7.621 3.127 1.00 0.00 N ATOM 771 CA LYS A 51 -6.244 -8.116 1.970 1.00 0.00 C ATOM 772 C LYS A 51 -6.008 -7.228 0.753 1.00 0.00 C ATOM 773 O LYS A 51 -6.950 -6.836 0.064 1.00 0.00 O ATOM 774 CB LYS A 51 -7.741 -8.186 2.281 1.00 0.00 C ATOM 775 CG LYS A 51 -8.077 -9.097 3.450 1.00 0.00 C ATOM 776 CD LYS A 51 -7.997 -10.562 3.055 1.00 0.00 C ATOM 777 CE LYS A 51 -8.457 -11.470 4.185 1.00 0.00 C ATOM 778 NZ LYS A 51 -9.942 -11.560 4.255 1.00 0.00 N ATOM 0 H LYS A 51 -4.809 -8.268 3.491 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.880 -9.118 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.106 -7.182 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.272 -8.535 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.389 -8.903 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.080 -8.871 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.613 -10.736 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.972 -10.811 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.039 -12.467 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.071 -11.095 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.215 -12.188 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.340 -10.613 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.309 -11.942 3.360 1.00 0.00 H new ATOM 792 N LEU A 52 -4.743 -6.914 0.492 1.00 0.00 N ATOM 793 CA LEU A 52 -4.384 -6.072 -0.643 1.00 0.00 C ATOM 794 C LEU A 52 -3.158 -6.625 -1.364 1.00 0.00 C ATOM 795 O LEU A 52 -2.481 -7.522 -0.861 1.00 0.00 O ATOM 796 CB LEU A 52 -4.110 -4.640 -0.176 1.00 0.00 C ATOM 797 CG LEU A 52 -5.174 -4.016 0.728 1.00 0.00 C ATOM 798 CD1 LEU A 52 -4.566 -2.917 1.586 1.00 0.00 C ATOM 799 CD2 LEU A 52 -6.326 -3.470 -0.104 1.00 0.00 C ATOM 0 H LEU A 52 -3.950 -7.230 1.051 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.223 -6.067 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.158 -4.628 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.993 -4.008 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.564 -4.791 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.337 -2.484 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.775 -3.336 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.149 -2.142 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.074 -3.030 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.952 -2.708 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.778 -4.281 -0.676 1.00 0.00 H new ATOM 811 N SER A 53 -2.879 -6.083 -2.545 1.00 0.00 N ATOM 812 CA SER A 53 -1.736 -6.523 -3.337 1.00 0.00 C ATOM 813 C SER A 53 -0.465 -5.793 -2.913 1.00 0.00 C ATOM 814 O SER A 53 -0.509 -4.624 -2.526 1.00 0.00 O ATOM 815 CB SER A 53 -1.999 -6.289 -4.827 1.00 0.00 C ATOM 816 OG SER A 53 -3.182 -6.947 -5.245 1.00 0.00 O ATOM 0 H SER A 53 -3.428 -5.339 -2.975 1.00 0.00 H new ATOM 0 HA SER A 53 -1.596 -7.590 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.086 -5.220 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.152 -6.651 -5.410 1.00 0.00 H new ATOM 0 HG SER A 53 -3.329 -6.781 -6.200 1.00 0.00 H new ATOM 822 N ARG A 54 0.663 -6.489 -2.986 1.00 0.00 N ATOM 823 CA ARG A 54 1.947 -5.908 -2.608 1.00 0.00 C ATOM 824 C ARG A 54 2.151 -4.556 -3.285 1.00 0.00 C ATOM 825 O ARG A 54 2.799 -3.666 -2.734 1.00 0.00 O ATOM 826 CB ARG A 54 3.089 -6.855 -2.980 1.00 0.00 C ATOM 827 CG ARG A 54 3.689 -6.577 -4.350 1.00 0.00 C ATOM 828 CD ARG A 54 4.671 -5.417 -4.303 1.00 0.00 C ATOM 829 NE ARG A 54 5.751 -5.575 -5.272 1.00 0.00 N ATOM 830 CZ ARG A 54 6.812 -6.349 -5.069 1.00 0.00 C ATOM 831 NH1 ARG A 54 6.934 -7.030 -3.939 1.00 0.00 N ATOM 832 NH2 ARG A 54 7.754 -6.441 -5.999 1.00 0.00 N ATOM 0 H ARG A 54 0.715 -7.457 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 54 1.947 -5.758 -1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.873 -6.778 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.722 -7.881 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.197 -7.470 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.892 -6.352 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.141 -4.485 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.092 -5.339 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 54 5.688 -5.064 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.212 -6.961 -3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.750 -7.623 -3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.664 -5.918 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.568 -7.035 -5.843 1.00 0.00 H new ATOM 846 N ARG A 55 1.594 -4.411 -4.484 1.00 0.00 N ATOM 847 CA ARG A 55 1.717 -3.168 -5.236 1.00 0.00 C ATOM 848 C ARG A 55 0.931 -2.046 -4.566 1.00 0.00 C ATOM 849 O ARG A 55 1.431 -0.933 -4.407 1.00 0.00 O ATOM 850 CB ARG A 55 1.224 -3.364 -6.672 1.00 0.00 C ATOM 851 CG ARG A 55 1.109 -2.070 -7.459 1.00 0.00 C ATOM 852 CD ARG A 55 0.042 -2.168 -8.539 1.00 0.00 C ATOM 853 NE ARG A 55 -0.104 -0.917 -9.279 1.00 0.00 N ATOM 854 CZ ARG A 55 0.755 -0.506 -10.205 1.00 0.00 C ATOM 855 NH1 ARG A 55 1.816 -1.243 -10.502 1.00 0.00 N ATOM 856 NH2 ARG A 55 0.553 0.644 -10.834 1.00 0.00 N ATOM 0 H ARG A 55 1.054 -5.138 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 55 2.770 -2.888 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.906 -4.036 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.250 -3.853 -6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.868 -1.251 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.070 -1.834 -7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.299 -2.970 -9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.912 -2.433 -8.083 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.910 -0.327 -9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.974 -2.127 -10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.474 -0.926 -11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.262 1.213 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.213 0.959 -11.545 1.00 0.00 H new ATOM 870 N GLU A 56 -0.305 -2.346 -4.178 1.00 0.00 N ATOM 871 CA GLU A 56 -1.161 -1.363 -3.526 1.00 0.00 C ATOM 872 C GLU A 56 -0.495 -0.806 -2.270 1.00 0.00 C ATOM 873 O GLU A 56 -0.567 0.391 -1.996 1.00 0.00 O ATOM 874 CB GLU A 56 -2.511 -1.986 -3.166 1.00 0.00 C ATOM 875 CG GLU A 56 -3.433 -2.173 -4.359 1.00 0.00 C ATOM 876 CD GLU A 56 -3.495 -0.945 -5.247 1.00 0.00 C ATOM 877 OE1 GLU A 56 -4.037 0.086 -4.798 1.00 0.00 O ATOM 878 OE2 GLU A 56 -2.998 -1.015 -6.391 1.00 0.00 O ATOM 0 H GLU A 56 -0.735 -3.262 -4.304 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.322 -0.542 -4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.341 -2.954 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.008 -1.355 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.092 -3.025 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.436 -2.411 -4.005 1.00 0.00 H new ATOM 885 N ILE A 57 0.154 -1.686 -1.515 1.00 0.00 N ATOM 886 CA ILE A 57 0.834 -1.283 -0.290 1.00 0.00 C ATOM 887 C ILE A 57 2.048 -0.411 -0.596 1.00 0.00 C ATOM 888 O ILE A 57 2.291 0.590 0.079 1.00 0.00 O ATOM 889 CB ILE A 57 1.288 -2.506 0.529 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.078 -3.334 0.964 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.095 -2.062 1.740 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.444 -4.687 1.534 1.00 0.00 C ATOM 0 H ILE A 57 0.223 -2.681 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 57 0.116 -0.709 0.296 1.00 0.00 H new ATOM 0 HB ILE A 57 1.924 -3.129 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.485 -2.775 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.582 -3.476 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.409 -2.937 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.975 -1.510 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.481 -1.420 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.463 -5.218 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.981 -5.265 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.079 -4.553 2.410 1.00 0.00 H new ATOM 904 N ASP A 58 2.804 -0.797 -1.617 1.00 0.00 N ATOM 905 CA ASP A 58 3.991 -0.049 -2.015 1.00 0.00 C ATOM 906 C ASP A 58 3.674 1.436 -2.157 1.00 0.00 C ATOM 907 O ASP A 58 4.356 2.284 -1.581 1.00 0.00 O ATOM 908 CB ASP A 58 4.545 -0.593 -3.333 1.00 0.00 C ATOM 909 CG ASP A 58 5.735 0.203 -3.832 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.411 0.844 -3.002 1.00 0.00 O ATOM 911 OD2 ASP A 58 5.990 0.184 -5.054 1.00 0.00 O ATOM 0 H ASP A 58 2.616 -1.624 -2.184 1.00 0.00 H new ATOM 0 HA ASP A 58 4.744 -0.169 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.838 -1.634 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.759 -0.578 -4.088 1.00 0.00 H new ATOM 916 N SER A 59 2.636 1.745 -2.928 1.00 0.00 N ATOM 917 CA SER A 59 2.233 3.128 -3.149 1.00 0.00 C ATOM 918 C SER A 59 1.964 3.835 -1.824 1.00 0.00 C ATOM 919 O SER A 59 2.380 4.976 -1.621 1.00 0.00 O ATOM 920 CB SER A 59 0.983 3.182 -4.030 1.00 0.00 C ATOM 921 OG SER A 59 -0.059 2.389 -3.487 1.00 0.00 O ATOM 0 H SER A 59 2.059 1.056 -3.410 1.00 0.00 H new ATOM 0 HA SER A 59 3.050 3.641 -3.656 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.646 4.214 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.226 2.831 -5.033 1.00 0.00 H new ATOM 0 HG SER A 59 0.318 1.743 -2.854 1.00 0.00 H new ATOM 927 N TRP A 60 1.268 3.150 -0.925 1.00 0.00 N ATOM 928 CA TRP A 60 0.945 3.709 0.381 1.00 0.00 C ATOM 929 C TRP A 60 2.212 4.038 1.164 1.00 0.00 C ATOM 930 O TRP A 60 2.341 5.125 1.727 1.00 0.00 O ATOM 931 CB TRP A 60 0.078 2.734 1.179 1.00 0.00 C ATOM 932 CG TRP A 60 -0.361 3.275 2.506 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.556 3.867 2.794 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.393 3.275 3.722 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.592 4.237 4.117 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.407 3.882 4.709 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.665 2.818 4.076 1.00 0.00 C ATOM 938 CZ2 TRP A 60 0.025 4.045 6.022 1.00 0.00 C ATOM 939 CZ3 TRP A 60 2.095 2.981 5.379 1.00 0.00 C ATOM 940 CH2 TRP A 60 1.276 3.590 6.340 1.00 0.00 C ATOM 0 H TRP A 60 0.916 2.205 -1.077 1.00 0.00 H new ATOM 0 HA TRP A 60 0.388 4.633 0.222 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.803 2.478 0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.635 1.811 1.338 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.357 4.022 2.086 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.373 4.700 4.583 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.302 2.345 3.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.605 4.514 6.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.078 2.634 5.662 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.639 3.702 7.351 1.00 0.00 H new ATOM 951 N PHE A 61 3.146 3.091 1.193 1.00 0.00 N ATOM 952 CA PHE A 61 4.402 3.281 1.906 1.00 0.00 C ATOM 953 C PHE A 61 5.184 4.458 1.330 1.00 0.00 C ATOM 954 O PHE A 61 5.479 5.424 2.034 1.00 0.00 O ATOM 955 CB PHE A 61 5.251 2.009 1.832 1.00 0.00 C ATOM 956 CG PHE A 61 4.938 1.017 2.918 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.677 0.456 3.020 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.908 0.648 3.836 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.386 -0.457 4.016 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.623 -0.265 4.835 1.00 0.00 C ATOM 961 CZ PHE A 61 4.361 -0.817 4.926 1.00 0.00 C ATOM 0 H PHE A 61 3.055 2.186 0.731 1.00 0.00 H new ATOM 0 HA PHE A 61 4.169 3.497 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.098 1.535 0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.305 2.281 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.910 0.735 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.897 1.078 3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.398 -0.888 4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.388 -0.546 5.544 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.136 -1.529 5.707 1.00 0.00 H new ATOM 971 N SER A 62 5.514 4.371 0.046 1.00 0.00 N ATOM 972 CA SER A 62 6.264 5.426 -0.624 1.00 0.00 C ATOM 973 C SER A 62 5.759 6.803 -0.203 1.00 0.00 C ATOM 974 O SER A 62 6.528 7.640 0.267 1.00 0.00 O ATOM 975 CB SER A 62 6.155 5.273 -2.143 1.00 0.00 C ATOM 976 OG SER A 62 6.999 4.236 -2.613 1.00 0.00 O ATOM 0 H SER A 62 5.274 3.580 -0.552 1.00 0.00 H new ATOM 0 HA SER A 62 7.310 5.336 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.122 5.058 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.424 6.212 -2.626 1.00 0.00 H new ATOM 0 HG SER A 62 6.910 4.157 -3.586 1.00 0.00 H new ATOM 982 N GLU A 63 4.460 7.028 -0.376 1.00 0.00 N ATOM 983 CA GLU A 63 3.852 8.303 -0.014 1.00 0.00 C ATOM 984 C GLU A 63 4.085 8.618 1.460 1.00 0.00 C ATOM 985 O GLU A 63 4.354 9.763 1.826 1.00 0.00 O ATOM 986 CB GLU A 63 2.351 8.279 -0.311 1.00 0.00 C ATOM 987 CG GLU A 63 2.000 8.732 -1.718 1.00 0.00 C ATOM 988 CD GLU A 63 2.002 7.590 -2.715 1.00 0.00 C ATOM 989 OE1 GLU A 63 0.964 6.904 -2.832 1.00 0.00 O ATOM 990 OE2 GLU A 63 3.039 7.383 -3.379 1.00 0.00 O ATOM 0 H GLU A 63 3.809 6.345 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 63 4.322 9.084 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.976 7.267 -0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.837 8.919 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.016 9.201 -1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.712 9.492 -2.040 1.00 0.00 H new ATOM 997 N ARG A 64 3.980 7.596 2.301 1.00 0.00 N ATOM 998 CA ARG A 64 4.177 7.763 3.737 1.00 0.00 C ATOM 999 C ARG A 64 5.462 8.536 4.022 1.00 0.00 C ATOM 1000 O ARG A 64 5.490 9.417 4.881 1.00 0.00 O ATOM 1001 CB ARG A 64 4.224 6.400 4.429 1.00 0.00 C ATOM 1002 CG ARG A 64 3.717 6.428 5.862 1.00 0.00 C ATOM 1003 CD ARG A 64 2.207 6.598 5.915 1.00 0.00 C ATOM 1004 NE ARG A 64 1.703 6.586 7.286 1.00 0.00 N ATOM 1005 CZ ARG A 64 0.518 7.073 7.637 1.00 0.00 C ATOM 1006 NH1 ARG A 64 -0.281 7.608 6.724 1.00 0.00 N ATOM 1007 NH2 ARG A 64 0.130 7.027 8.905 1.00 0.00 N ATOM 0 H ARG A 64 3.760 6.642 2.014 1.00 0.00 H new ATOM 0 HA ARG A 64 3.335 8.333 4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.628 5.690 3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.251 6.034 4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.998 5.504 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.195 7.245 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.931 7.537 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.732 5.798 5.347 1.00 0.00 H new ATOM 0 HE ARG A 64 2.293 6.182 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.014 7.647 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.190 7.981 6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.742 6.618 9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.780 7.401 9.174 1.00 0.00 H new ATOM 1021 N ARG A 65 6.523 8.198 3.296 1.00 0.00 N ATOM 1022 CA ARG A 65 7.809 8.859 3.472 1.00 0.00 C ATOM 1023 C ARG A 65 7.691 10.359 3.219 1.00 0.00 C ATOM 1024 O ARG A 65 8.316 11.168 3.906 1.00 0.00 O ATOM 1025 CB ARG A 65 8.852 8.252 2.530 1.00 0.00 C ATOM 1026 CG ARG A 65 9.496 6.985 3.067 1.00 0.00 C ATOM 1027 CD ARG A 65 10.732 6.606 2.268 1.00 0.00 C ATOM 1028 NE ARG A 65 11.736 7.666 2.276 1.00 0.00 N ATOM 1029 CZ ARG A 65 12.902 7.578 1.647 1.00 0.00 C ATOM 1030 NH1 ARG A 65 13.210 6.485 0.963 1.00 0.00 N ATOM 1031 NH2 ARG A 65 13.764 8.586 1.701 1.00 0.00 N ATOM 0 H ARG A 65 6.517 7.471 2.581 1.00 0.00 H new ATOM 0 HA ARG A 65 8.128 8.707 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.379 8.031 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.630 8.991 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.768 7.129 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.776 6.168 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.164 5.694 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.445 6.386 1.240 1.00 0.00 H new ATOM 0 HE ARG A 65 11.530 8.521 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.550 5.708 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.107 6.421 0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.531 9.429 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.660 8.518 1.218 1.00 0.00 H new ATOM 1045 N LYS A 66 6.886 10.724 2.228 1.00 0.00 N ATOM 1046 CA LYS A 66 6.683 12.126 1.882 1.00 0.00 C ATOM 1047 C LYS A 66 6.039 12.883 3.038 1.00 0.00 C ATOM 1048 O LYS A 66 6.630 13.811 3.593 1.00 0.00 O ATOM 1049 CB LYS A 66 5.809 12.244 0.632 1.00 0.00 C ATOM 1050 CG LYS A 66 6.565 12.010 -0.664 1.00 0.00 C ATOM 1051 CD LYS A 66 6.542 10.544 -1.066 1.00 0.00 C ATOM 1052 CE LYS A 66 7.777 10.166 -1.870 1.00 0.00 C ATOM 1053 NZ LYS A 66 7.589 10.417 -3.326 1.00 0.00 N ATOM 0 H LYS A 66 6.362 10.067 1.649 1.00 0.00 H new ATOM 0 HA LYS A 66 7.658 12.568 1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.992 11.525 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.359 13.236 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.124 12.613 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.597 12.341 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.484 9.922 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.647 10.341 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.633 10.737 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.006 9.113 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.452 10.147 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.788 9.853 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.395 11.427 -3.482 1.00 0.00 H new ATOM 1067 N LEU A 67 4.825 12.481 3.401 1.00 0.00 N ATOM 1068 CA LEU A 67 4.102 13.122 4.494 1.00 0.00 C ATOM 1069 C LEU A 67 4.956 13.176 5.756 1.00 0.00 C ATOM 1070 O LEU A 67 4.922 14.155 6.500 1.00 0.00 O ATOM 1071 CB LEU A 67 2.799 12.370 4.778 1.00 0.00 C ATOM 1072 CG LEU A 67 2.878 11.268 5.834 1.00 0.00 C ATOM 1073 CD1 LEU A 67 2.643 11.841 7.224 1.00 0.00 C ATOM 1074 CD2 LEU A 67 1.871 10.168 5.532 1.00 0.00 C ATOM 0 H LEU A 67 4.321 11.715 2.954 1.00 0.00 H new ATOM 0 HA LEU A 67 3.869 14.143 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.046 13.093 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.447 11.928 3.846 1.00 0.00 H new ATOM 0 HG LEU A 67 3.878 10.836 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.703 11.041 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.402 12.593 7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.655 12.300 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.941 9.392 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.864 10.586 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.085 9.737 4.554 1.00 0.00 H new ATOM 1086 N ARG A 68 5.725 12.117 5.989 1.00 0.00 N ATOM 1087 CA ARG A 68 6.591 12.044 7.160 1.00 0.00 C ATOM 1088 C ARG A 68 7.742 13.040 7.048 1.00 0.00 C ATOM 1089 O ARG A 68 8.121 13.677 8.031 1.00 0.00 O ATOM 1090 CB ARG A 68 7.143 10.627 7.325 1.00 0.00 C ATOM 1091 CG ARG A 68 7.996 10.447 8.570 1.00 0.00 C ATOM 1092 CD ARG A 68 8.311 8.981 8.823 1.00 0.00 C ATOM 1093 NE ARG A 68 9.596 8.803 9.492 1.00 0.00 N ATOM 1094 CZ ARG A 68 9.960 7.681 10.101 1.00 0.00 C ATOM 1095 NH1 ARG A 68 9.140 6.640 10.123 1.00 0.00 N ATOM 1096 NH2 ARG A 68 11.147 7.597 10.687 1.00 0.00 N ATOM 0 H ARG A 68 5.766 11.298 5.382 1.00 0.00 H new ATOM 0 HA ARG A 68 5.996 12.299 8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.311 9.924 7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.738 10.373 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.925 11.006 8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.475 10.862 9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.522 8.541 9.432 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.319 8.443 7.875 1.00 0.00 H new ATOM 0 HE ARG A 68 10.251 9.585 9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.227 6.700 9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.422 5.779 10.591 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.782 8.395 10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.425 6.734 11.154 1.00 0.00 H new ATOM 1110 N ASP A 69 8.292 13.167 5.846 1.00 0.00 N ATOM 1111 CA ASP A 69 9.400 14.086 5.606 1.00 0.00 C ATOM 1112 C ASP A 69 8.936 15.535 5.714 1.00 0.00 C ATOM 1113 O ASP A 69 9.624 16.376 6.294 1.00 0.00 O ATOM 1114 CB ASP A 69 10.008 13.834 4.226 1.00 0.00 C ATOM 1115 CG ASP A 69 11.132 12.817 4.265 1.00 0.00 C ATOM 1116 OD1 ASP A 69 12.064 12.995 5.076 1.00 0.00 O ATOM 1117 OD2 ASP A 69 11.078 11.844 3.485 1.00 0.00 O ATOM 0 H ASP A 69 7.990 12.646 5.023 1.00 0.00 H new ATOM 0 HA ASP A 69 10.160 13.909 6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.230 13.485 3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.386 14.773 3.822 1.00 0.00 H new ATOM 1122 N SER A 70 7.766 15.821 5.152 1.00 0.00 N ATOM 1123 CA SER A 70 7.213 17.171 5.182 1.00 0.00 C ATOM 1124 C SER A 70 6.997 17.637 6.618 1.00 0.00 C ATOM 1125 O SER A 70 6.704 16.836 7.506 1.00 0.00 O ATOM 1126 CB SER A 70 5.892 17.220 4.413 1.00 0.00 C ATOM 1127 OG SER A 70 5.354 18.531 4.405 1.00 0.00 O ATOM 0 H SER A 70 7.183 15.137 4.671 1.00 0.00 H new ATOM 0 HA SER A 70 7.928 17.841 4.705 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.051 16.883 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.178 16.533 4.867 1.00 0.00 H new ATOM 0 HG SER A 70 4.511 18.536 3.906 1.00 0.00 H new ATOM 1133 N MET A 71 7.143 18.940 6.838 1.00 0.00 N ATOM 1134 CA MET A 71 6.962 19.515 8.166 1.00 0.00 C ATOM 1135 C MET A 71 8.035 19.014 9.127 1.00 0.00 C ATOM 1136 O MET A 71 7.757 18.738 10.293 1.00 0.00 O ATOM 1137 CB MET A 71 5.573 19.171 8.710 1.00 0.00 C ATOM 1138 CG MET A 71 5.176 19.993 9.925 1.00 0.00 C ATOM 1139 SD MET A 71 3.822 19.249 10.855 1.00 0.00 S ATOM 1140 CE MET A 71 3.477 20.543 12.043 1.00 0.00 C ATOM 0 H MET A 71 7.386 19.617 6.115 1.00 0.00 H new ATOM 0 HA MET A 71 7.053 20.598 8.080 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.835 19.323 7.922 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.546 18.113 8.972 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.040 20.108 10.579 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.884 20.993 9.603 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.659 20.232 12.693 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.367 20.732 12.644 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.195 21.455 11.516 1.00 0.00 H new ATOM 1150 N GLU A 72 9.263 18.897 8.628 1.00 0.00 N ATOM 1151 CA GLU A 72 10.377 18.428 9.442 1.00 0.00 C ATOM 1152 C GLU A 72 10.722 19.443 10.529 1.00 0.00 C ATOM 1153 O GLU A 72 10.275 20.589 10.485 1.00 0.00 O ATOM 1154 CB GLU A 72 11.603 18.165 8.566 1.00 0.00 C ATOM 1155 CG GLU A 72 12.576 17.164 9.165 1.00 0.00 C ATOM 1156 CD GLU A 72 11.888 15.909 9.667 1.00 0.00 C ATOM 1157 OE1 GLU A 72 11.166 15.271 8.872 1.00 0.00 O ATOM 1158 OE2 GLU A 72 12.070 15.566 10.854 1.00 0.00 O ATOM 0 H GLU A 72 9.510 19.121 7.664 1.00 0.00 H new ATOM 0 HA GLU A 72 10.076 17.496 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.273 17.800 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.124 19.107 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.318 16.891 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.113 17.634 9.989 1.00 0.00 H new ATOM 1165 N GLN A 73 11.519 19.012 11.501 1.00 0.00 N ATOM 1166 CA GLN A 73 11.922 19.882 12.599 1.00 0.00 C ATOM 1167 C GLN A 73 12.919 20.934 12.121 1.00 0.00 C ATOM 1168 O GLN A 73 13.859 20.626 11.389 1.00 0.00 O ATOM 1169 CB GLN A 73 12.539 19.057 13.731 1.00 0.00 C ATOM 1170 CG GLN A 73 13.751 18.247 13.304 1.00 0.00 C ATOM 1171 CD GLN A 73 14.552 17.730 14.483 1.00 0.00 C ATOM 1172 OE1 GLN A 73 14.396 18.201 15.608 1.00 0.00 O ATOM 1173 NE2 GLN A 73 15.415 16.753 14.229 1.00 0.00 N ATOM 0 H GLN A 73 11.898 18.066 11.551 1.00 0.00 H new ATOM 0 HA GLN A 73 11.033 20.391 12.972 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.827 19.726 14.541 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.783 18.381 14.130 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.424 17.405 12.694 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.393 18.865 12.676 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.512 16.392 13.280 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.981 16.364 14.983 1.00 0.00 H new ATOM 1182 N ALA A 74 12.707 22.177 12.542 1.00 0.00 N ATOM 1183 CA ALA A 74 13.586 23.273 12.158 1.00 0.00 C ATOM 1184 C ALA A 74 13.345 24.502 13.030 1.00 0.00 C ATOM 1185 O ALA A 74 12.461 24.501 13.888 1.00 0.00 O ATOM 1186 CB ALA A 74 13.389 23.620 10.690 1.00 0.00 C ATOM 0 H ALA A 74 11.934 22.449 13.149 1.00 0.00 H new ATOM 0 HA ALA A 74 14.616 22.948 12.308 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.053 24.441 10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.619 22.749 10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.354 23.919 10.523 1.00 0.00 H new ATOM 1192 N VAL A 75 14.134 25.547 12.805 1.00 0.00 N ATOM 1193 CA VAL A 75 14.005 26.781 13.570 1.00 0.00 C ATOM 1194 C VAL A 75 13.023 27.739 12.907 1.00 0.00 C ATOM 1195 O VAL A 75 13.090 27.978 11.700 1.00 0.00 O ATOM 1196 CB VAL A 75 15.366 27.488 13.729 1.00 0.00 C ATOM 1197 CG1 VAL A 75 15.202 28.795 14.489 1.00 0.00 C ATOM 1198 CG2 VAL A 75 16.360 26.574 14.429 1.00 0.00 C ATOM 0 H VAL A 75 14.870 25.564 12.099 1.00 0.00 H new ATOM 0 HA VAL A 75 13.629 26.504 14.555 1.00 0.00 H new ATOM 0 HB VAL A 75 15.756 27.719 12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 75 16.173 29.280 14.592 1.00 0.00 H new ATOM 0 HG12 VAL A 75 14.524 29.451 13.943 1.00 0.00 H new ATOM 0 HG13 VAL A 75 14.791 28.592 15.478 1.00 0.00 H new ATOM 0 HG21 VAL A 75 17.316 27.088 14.534 1.00 0.00 H new ATOM 0 HG22 VAL A 75 15.980 26.311 15.416 1.00 0.00 H new ATOM 0 HG23 VAL A 75 16.498 25.667 13.840 1.00 0.00 H new ATOM 1208 N LEU A 76 12.109 28.285 13.702 1.00 0.00 N ATOM 1209 CA LEU A 76 11.110 29.218 13.192 1.00 0.00 C ATOM 1210 C LEU A 76 10.709 30.226 14.265 1.00 0.00 C ATOM 1211 O LEU A 76 10.737 29.922 15.457 1.00 0.00 O ATOM 1212 CB LEU A 76 9.876 28.459 12.703 1.00 0.00 C ATOM 1213 CG LEU A 76 10.069 27.602 11.451 1.00 0.00 C ATOM 1214 CD1 LEU A 76 10.603 26.227 11.822 1.00 0.00 C ATOM 1215 CD2 LEU A 76 8.760 27.477 10.685 1.00 0.00 C ATOM 0 H LEU A 76 12.039 28.098 14.702 1.00 0.00 H new ATOM 0 HA LEU A 76 11.550 29.761 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.527 27.815 13.510 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.084 29.181 12.506 1.00 0.00 H new ATOM 0 HG LEU A 76 10.800 28.092 10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.734 25.632 10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.562 26.334 12.328 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.896 25.729 12.485 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.915 26.864 9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.009 27.010 11.322 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.417 28.468 10.387 1.00 0.00 H new ATOM 1227 N ASP A 77 10.334 31.424 13.832 1.00 0.00 N ATOM 1228 CA ASP A 77 9.923 32.477 14.755 1.00 0.00 C ATOM 1229 C ASP A 77 8.524 32.206 15.299 1.00 0.00 C ATOM 1230 O ASP A 77 7.765 31.423 14.727 1.00 0.00 O ATOM 1231 CB ASP A 77 9.961 33.837 14.060 1.00 0.00 C ATOM 1232 CG ASP A 77 8.752 34.068 13.174 1.00 0.00 C ATOM 1233 OD1 ASP A 77 8.641 33.387 12.132 1.00 0.00 O ATOM 1234 OD2 ASP A 77 7.917 34.928 13.523 1.00 0.00 O ATOM 0 H ASP A 77 10.306 31.691 12.848 1.00 0.00 H new ATOM 0 HA ASP A 77 10.622 32.487 15.591 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.013 34.625 14.812 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.868 33.910 13.459 1.00 0.00 H new ATOM 1239 N SER A 78 8.188 32.860 16.406 1.00 0.00 N ATOM 1240 CA SER A 78 6.881 32.687 17.030 1.00 0.00 C ATOM 1241 C SER A 78 5.782 33.298 16.166 1.00 0.00 C ATOM 1242 O SER A 78 5.784 34.499 15.899 1.00 0.00 O ATOM 1243 CB SER A 78 6.868 33.326 18.421 1.00 0.00 C ATOM 1244 OG SER A 78 5.682 32.995 19.121 1.00 0.00 O ATOM 0 H SER A 78 8.803 33.515 16.890 1.00 0.00 H new ATOM 0 HA SER A 78 6.690 31.618 17.128 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.735 32.988 18.988 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.950 34.409 18.328 1.00 0.00 H new ATOM 0 HG SER A 78 5.698 33.413 20.007 1.00 0.00 H new ATOM 1250 N MET A 79 4.846 32.462 15.733 1.00 0.00 N ATOM 1251 CA MET A 79 3.740 32.919 14.899 1.00 0.00 C ATOM 1252 C MET A 79 2.409 32.770 15.631 1.00 0.00 C ATOM 1253 O MET A 79 2.190 31.794 16.350 1.00 0.00 O ATOM 1254 CB MET A 79 3.702 32.134 13.586 1.00 0.00 C ATOM 1255 CG MET A 79 3.455 30.647 13.775 1.00 0.00 C ATOM 1256 SD MET A 79 4.963 29.734 14.155 1.00 0.00 S ATOM 1257 CE MET A 79 4.468 28.067 13.726 1.00 0.00 C ATOM 0 H MET A 79 4.830 31.464 15.945 1.00 0.00 H new ATOM 0 HA MET A 79 3.898 33.975 14.678 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.920 32.546 12.948 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.647 32.273 13.061 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.735 30.502 14.580 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.007 30.239 12.869 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.297 27.383 13.907 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.615 27.772 14.337 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.190 28.030 12.673 1.00 0.00 H new ATOM 1267 N GLY A 80 1.523 33.744 15.446 1.00 0.00 N ATOM 1268 CA GLY A 80 0.226 33.702 16.097 1.00 0.00 C ATOM 1269 C GLY A 80 0.338 33.641 17.607 1.00 0.00 C ATOM 1270 O GLY A 80 1.055 34.433 18.216 1.00 0.00 O ATOM 0 H GLY A 80 1.680 34.562 14.857 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.348 34.584 15.814 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.328 32.833 15.741 1.00 0.00 H new ATOM 1274 N SER A 81 -0.375 32.696 18.213 1.00 0.00 N ATOM 1275 CA SER A 81 -0.359 32.537 19.663 1.00 0.00 C ATOM 1276 C SER A 81 -0.506 31.070 20.050 1.00 0.00 C ATOM 1277 O SER A 81 -1.183 30.301 19.369 1.00 0.00 O ATOM 1278 CB SER A 81 -1.480 33.359 20.300 1.00 0.00 C ATOM 1279 OG SER A 81 -2.752 32.901 19.875 1.00 0.00 O ATOM 0 H SER A 81 -0.971 32.029 17.722 1.00 0.00 H new ATOM 0 HA SER A 81 0.601 32.898 20.032 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.411 33.294 21.386 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.361 34.410 20.035 1.00 0.00 H new ATOM 0 HG SER A 81 -3.452 33.441 20.297 1.00 0.00 H new ATOM 1285 N GLY A 82 0.135 30.687 21.152 1.00 0.00 N ATOM 1286 CA GLY A 82 0.064 29.313 21.612 1.00 0.00 C ATOM 1287 C GLY A 82 1.243 28.483 21.147 1.00 0.00 C ATOM 1288 O GLY A 82 1.078 27.517 20.401 1.00 0.00 O ATOM 0 H GLY A 82 0.702 31.305 21.733 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.022 29.300 22.701 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.860 28.860 21.252 1.00 0.00 H new ATOM 1292 N LYS A 83 2.440 28.861 21.584 1.00 0.00 N ATOM 1293 CA LYS A 83 3.654 28.146 21.209 1.00 0.00 C ATOM 1294 C LYS A 83 3.451 26.638 21.312 1.00 0.00 C ATOM 1295 O LYS A 83 3.989 25.874 20.511 1.00 0.00 O ATOM 1296 CB LYS A 83 4.820 28.578 22.100 1.00 0.00 C ATOM 1297 CG LYS A 83 4.584 28.320 23.578 1.00 0.00 C ATOM 1298 CD LYS A 83 5.888 28.307 24.357 1.00 0.00 C ATOM 1299 CE LYS A 83 6.710 27.064 24.049 1.00 0.00 C ATOM 1300 NZ LYS A 83 7.666 26.745 25.143 1.00 0.00 N ATOM 0 H LYS A 83 2.595 29.660 22.199 1.00 0.00 H new ATOM 0 HA LYS A 83 3.886 28.393 20.173 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.721 28.050 21.787 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.006 29.642 21.951 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.926 29.089 23.982 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.074 27.365 23.705 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.468 29.197 24.113 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.675 28.348 25.425 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.042 26.217 23.892 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.259 27.213 23.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.206 25.892 24.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.320 27.543 25.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.141 26.577 26.025 1.00 0.00 H new ATOM 1314 N SER A 84 2.671 26.217 22.302 1.00 0.00 N ATOM 1315 CA SER A 84 2.400 24.799 22.511 1.00 0.00 C ATOM 1316 C SER A 84 1.674 24.202 21.310 1.00 0.00 C ATOM 1317 O SER A 84 1.154 24.926 20.461 1.00 0.00 O ATOM 1318 CB SER A 84 1.563 24.599 23.777 1.00 0.00 C ATOM 1319 OG SER A 84 0.245 25.088 23.599 1.00 0.00 O ATOM 0 H SER A 84 2.216 26.837 22.972 1.00 0.00 H new ATOM 0 HA SER A 84 3.354 24.286 22.629 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.530 23.540 24.031 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.035 25.113 24.614 1.00 0.00 H new ATOM 0 HG SER A 84 -0.270 24.947 24.421 1.00 0.00 H new ATOM 1325 N GLY A 85 1.645 22.874 21.243 1.00 0.00 N ATOM 1326 CA GLY A 85 0.982 22.201 20.142 1.00 0.00 C ATOM 1327 C GLY A 85 1.536 20.811 19.895 1.00 0.00 C ATOM 1328 O GLY A 85 2.488 20.625 19.138 1.00 0.00 O ATOM 0 H GLY A 85 2.069 22.253 21.932 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.085 22.132 20.352 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.090 22.798 19.237 1.00 0.00 H new ATOM 1332 N PRO A 86 0.932 19.805 20.545 1.00 0.00 N ATOM 1333 CA PRO A 86 1.354 18.408 20.409 1.00 0.00 C ATOM 1334 C PRO A 86 1.036 17.839 19.031 1.00 0.00 C ATOM 1335 O PRO A 86 0.359 18.477 18.226 1.00 0.00 O ATOM 1336 CB PRO A 86 0.542 17.685 21.486 1.00 0.00 C ATOM 1337 CG PRO A 86 -0.663 18.538 21.690 1.00 0.00 C ATOM 1338 CD PRO A 86 -0.210 19.954 21.463 1.00 0.00 C ATOM 0 HA PRO A 86 2.432 18.295 20.522 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.266 16.680 21.166 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.113 17.580 22.408 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.456 18.266 20.994 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.064 18.413 22.696 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.001 20.563 21.025 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.084 20.436 22.395 1.00 0.00 H new ATOM 1346 N SER A 87 1.529 16.633 18.766 1.00 0.00 N ATOM 1347 CA SER A 87 1.300 15.978 17.483 1.00 0.00 C ATOM 1348 C SER A 87 1.132 14.473 17.664 1.00 0.00 C ATOM 1349 O SER A 87 1.961 13.815 18.292 1.00 0.00 O ATOM 1350 CB SER A 87 2.459 16.262 16.527 1.00 0.00 C ATOM 1351 OG SER A 87 3.608 15.512 16.883 1.00 0.00 O ATOM 0 H SER A 87 2.089 16.090 19.423 1.00 0.00 H new ATOM 0 HA SER A 87 0.381 16.380 17.057 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.162 16.017 15.507 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.696 17.326 16.543 1.00 0.00 H new ATOM 0 HG SER A 87 3.349 14.784 17.485 1.00 0.00 H new ATOM 1357 N SER A 88 0.051 13.933 17.108 1.00 0.00 N ATOM 1358 CA SER A 88 -0.228 12.506 17.210 1.00 0.00 C ATOM 1359 C SER A 88 0.990 11.682 16.809 1.00 0.00 C ATOM 1360 O SER A 88 1.342 10.707 17.471 1.00 0.00 O ATOM 1361 CB SER A 88 -1.423 12.135 16.328 1.00 0.00 C ATOM 1362 OG SER A 88 -1.219 12.557 14.990 1.00 0.00 O ATOM 0 H SER A 88 -0.645 14.463 16.583 1.00 0.00 H new ATOM 0 HA SER A 88 -0.468 12.282 18.249 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.577 11.056 16.353 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.328 12.595 16.724 1.00 0.00 H new ATOM 0 HG SER A 88 -1.995 12.307 14.446 1.00 0.00 H new ATOM 1368 N GLY A 89 1.634 12.083 15.716 1.00 0.00 N ATOM 1369 CA GLY A 89 2.808 11.372 15.243 1.00 0.00 C ATOM 1370 C GLY A 89 2.491 9.956 14.808 1.00 0.00 C ATOM 1371 O GLY A 89 2.471 9.037 15.627 1.00 0.00 O ATOM 0 H GLY A 89 1.363 12.887 15.150 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.246 11.916 14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.557 11.347 16.034 1.00 0.00 H new TER 1375 GLY A 89