USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 29 SER OG : rot 32:sc= 0.359 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.503) USER MOD Single : A 50 SER OG : rot -40:sc= 0.283 USER MOD Single : A 54 THR OG1 : rot 58:sc= 0.392 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.2) USER MOD Single : A 62 MET CE :methyl 156:sc= -0.143 (180deg=-0.734) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 68:sc= 1.21 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00485 USER MOD Single : A 72 THR OG1 : rot -75:sc= 0.166 USER MOD Single : A 80 SER OG : rot 54:sc= 1.26 USER MOD Single : A 81 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.18) USER MOD Single : A 84 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.33) USER MOD Single : A 86 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.087) USER MOD Single : A 94 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.00567 USER MOD Single : A 102 SER OG : rot 180:sc= 0.18 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 29 12.920 11.695 -0.290 1.00 10.00 N ATOM 38 CA SER A 29 13.523 11.325 0.978 1.00 10.00 C ATOM 39 C SER A 29 14.160 9.944 0.883 1.00 10.00 C ATOM 40 O SER A 29 13.544 8.930 1.224 1.00 10.00 O ATOM 41 CB SER A 29 12.478 11.360 2.094 1.00 10.00 C ATOM 42 OG SER A 29 11.625 12.484 1.947 1.00 10.00 O ATOM 0 HA SER A 29 14.305 12.047 1.214 1.00 10.00 H new ATOM 0 HB2 SER A 29 11.887 10.444 2.075 1.00 10.00 H new ATOM 0 HB3 SER A 29 12.975 11.399 3.063 1.00 10.00 H new ATOM 0 HG SER A 29 11.515 12.689 0.995 1.00 10.00 H new ATOM 48 N SER A 30 15.389 9.908 0.387 1.00 10.00 N ATOM 49 CA SER A 30 16.126 8.663 0.240 1.00 10.00 C ATOM 50 C SER A 30 16.697 8.214 1.582 1.00 10.00 C ATOM 51 O SER A 30 17.054 9.039 2.427 1.00 10.00 O ATOM 52 CB SER A 30 17.246 8.834 -0.788 1.00 10.00 C ATOM 53 OG SER A 30 16.726 9.288 -2.029 1.00 10.00 O ATOM 0 H SER A 30 15.899 10.735 0.078 1.00 10.00 H new ATOM 0 HA SER A 30 15.440 7.893 -0.113 1.00 10.00 H new ATOM 0 HB2 SER A 30 17.983 9.546 -0.415 1.00 10.00 H new ATOM 0 HB3 SER A 30 17.763 7.885 -0.930 1.00 10.00 H new ATOM 0 HG SER A 30 17.458 9.393 -2.672 1.00 10.00 H new ATOM 59 N GLY A 31 16.776 6.908 1.773 1.00 10.00 N ATOM 60 CA GLY A 31 17.289 6.370 3.014 1.00 10.00 C ATOM 61 C GLY A 31 16.230 5.590 3.759 1.00 10.00 C ATOM 62 O GLY A 31 15.619 6.101 4.699 1.00 10.00 O ATOM 0 H GLY A 31 16.493 6.208 1.088 1.00 10.00 H new ATOM 0 HA2 GLY A 31 18.141 5.722 2.807 1.00 10.00 H new ATOM 0 HA3 GLY A 31 17.652 7.184 3.642 1.00 10.00 H new ATOM 66 N VAL A 32 15.994 4.359 3.327 1.00 10.00 N ATOM 67 CA VAL A 32 14.987 3.512 3.952 1.00 10.00 C ATOM 68 C VAL A 32 15.580 2.729 5.118 1.00 10.00 C ATOM 69 O VAL A 32 16.797 2.555 5.218 1.00 10.00 O ATOM 70 CB VAL A 32 14.355 2.528 2.942 1.00 10.00 C ATOM 71 CG1 VAL A 32 13.638 3.282 1.833 1.00 10.00 C ATOM 72 CG2 VAL A 32 15.407 1.591 2.360 1.00 10.00 C ATOM 0 H VAL A 32 16.486 3.924 2.546 1.00 10.00 H new ATOM 0 HA VAL A 32 14.205 4.175 4.322 1.00 10.00 H new ATOM 0 HB VAL A 32 13.622 1.923 3.476 1.00 10.00 H new ATOM 0 HG11 VAL A 32 13.200 2.570 1.133 1.00 10.00 H new ATOM 0 HG12 VAL A 32 12.849 3.899 2.264 1.00 10.00 H new ATOM 0 HG13 VAL A 32 14.350 3.918 1.306 1.00 10.00 H new ATOM 0 HG21 VAL A 32 14.935 0.909 1.652 1.00 10.00 H new ATOM 0 HG22 VAL A 32 16.171 2.175 1.847 1.00 10.00 H new ATOM 0 HG23 VAL A 32 15.868 1.018 3.164 1.00 10.00 H new ATOM 82 N HIS A 33 14.716 2.260 5.997 1.00 10.00 N ATOM 83 CA HIS A 33 15.139 1.495 7.154 1.00 10.00 C ATOM 84 C HIS A 33 14.657 0.055 7.037 1.00 10.00 C ATOM 85 O HIS A 33 13.948 -0.290 6.096 1.00 10.00 O ATOM 86 CB HIS A 33 14.605 2.129 8.439 1.00 10.00 C ATOM 87 CG HIS A 33 15.598 3.005 9.130 1.00 10.00 C ATOM 88 ND1 HIS A 33 16.136 2.647 10.341 1.00 10.00 N ATOM 89 CD2 HIS A 33 16.115 4.200 8.749 1.00 10.00 C ATOM 90 CE1 HIS A 33 16.961 3.624 10.669 1.00 10.00 C ATOM 91 NE2 HIS A 33 16.980 4.583 9.736 1.00 10.00 N ATOM 0 H HIS A 33 13.707 2.397 5.931 1.00 10.00 H new ATOM 0 HA HIS A 33 16.228 1.499 7.193 1.00 10.00 H new ATOM 0 HB2 HIS A 33 13.717 2.716 8.203 1.00 10.00 H new ATOM 0 HB3 HIS A 33 14.293 1.339 9.122 1.00 10.00 H new ATOM 0 HD2 HIS A 33 15.888 4.743 7.843 1.00 10.00 H new ATOM 0 HE1 HIS A 33 17.547 3.646 11.576 1.00 10.00 H new ATOM 0 HE2 HIS A 33 17.535 5.438 9.757 1.00 10.00 H new ATOM 99 N VAL A 34 15.064 -0.784 7.978 1.00 10.00 N ATOM 100 CA VAL A 34 14.644 -2.179 7.981 1.00 10.00 C ATOM 101 C VAL A 34 13.152 -2.269 8.279 1.00 10.00 C ATOM 102 O VAL A 34 12.455 -3.152 7.780 1.00 10.00 O ATOM 103 CB VAL A 34 15.431 -3.019 9.012 1.00 10.00 C ATOM 104 CG1 VAL A 34 16.867 -3.208 8.553 1.00 10.00 C ATOM 105 CG2 VAL A 34 15.389 -2.376 10.391 1.00 10.00 C ATOM 0 H VAL A 34 15.682 -0.525 8.747 1.00 10.00 H new ATOM 0 HA VAL A 34 14.852 -2.587 6.992 1.00 10.00 H new ATOM 0 HB VAL A 34 14.956 -3.997 9.086 1.00 10.00 H new ATOM 0 HG11 VAL A 34 17.409 -3.802 9.289 1.00 10.00 H new ATOM 0 HG12 VAL A 34 16.877 -3.723 7.593 1.00 10.00 H new ATOM 0 HG13 VAL A 34 17.346 -2.235 8.447 1.00 10.00 H new ATOM 0 HG21 VAL A 34 15.951 -2.989 11.096 1.00 10.00 H new ATOM 0 HG22 VAL A 34 15.832 -1.381 10.342 1.00 10.00 H new ATOM 0 HG23 VAL A 34 14.354 -2.297 10.724 1.00 10.00 H new ATOM 115 N GLU A 35 12.680 -1.334 9.089 1.00 10.00 N ATOM 116 CA GLU A 35 11.285 -1.261 9.472 1.00 10.00 C ATOM 117 C GLU A 35 10.667 -0.002 8.877 1.00 10.00 C ATOM 118 O GLU A 35 10.544 1.027 9.544 1.00 10.00 O ATOM 119 CB GLU A 35 11.173 -1.255 10.995 1.00 10.00 C ATOM 120 CG GLU A 35 9.773 -1.513 11.529 1.00 10.00 C ATOM 121 CD GLU A 35 9.753 -1.667 13.034 1.00 10.00 C ATOM 122 OE1 GLU A 35 10.335 -0.808 13.728 1.00 10.00 O ATOM 123 OE2 GLU A 35 9.161 -2.650 13.530 1.00 10.00 O ATOM 0 H GLU A 35 13.260 -0.602 9.500 1.00 10.00 H new ATOM 0 HA GLU A 35 10.746 -2.129 9.091 1.00 10.00 H new ATOM 0 HB2 GLU A 35 11.846 -2.011 11.398 1.00 10.00 H new ATOM 0 HB3 GLU A 35 11.517 -0.290 11.367 1.00 10.00 H new ATOM 0 HG2 GLU A 35 9.119 -0.690 11.241 1.00 10.00 H new ATOM 0 HG3 GLU A 35 9.371 -2.415 11.068 1.00 10.00 H new ATOM 130 N ASP A 36 10.309 -0.076 7.607 1.00 10.00 N ATOM 131 CA ASP A 36 9.724 1.062 6.914 1.00 10.00 C ATOM 132 C ASP A 36 8.368 0.714 6.312 1.00 10.00 C ATOM 133 O ASP A 36 7.736 1.550 5.667 1.00 10.00 O ATOM 134 CB ASP A 36 10.676 1.572 5.823 1.00 10.00 C ATOM 135 CG ASP A 36 10.760 0.644 4.621 1.00 10.00 C ATOM 136 OD1 ASP A 36 10.771 1.147 3.480 1.00 10.00 O ATOM 137 OD2 ASP A 36 10.830 -0.590 4.817 1.00 10.00 O ATOM 0 H ASP A 36 10.413 -0.913 7.033 1.00 10.00 H new ATOM 0 HA ASP A 36 9.570 1.853 7.648 1.00 10.00 H new ATOM 0 HB2 ASP A 36 10.345 2.556 5.492 1.00 10.00 H new ATOM 0 HB3 ASP A 36 11.672 1.697 6.248 1.00 10.00 H new ATOM 142 N ALA A 37 7.915 -0.512 6.543 1.00 10.00 N ATOM 143 CA ALA A 37 6.630 -0.962 6.022 1.00 10.00 C ATOM 144 C ALA A 37 5.488 -0.101 6.562 1.00 10.00 C ATOM 145 O ALA A 37 4.669 0.423 5.808 1.00 10.00 O ATOM 146 CB ALA A 37 6.404 -2.424 6.375 1.00 10.00 C ATOM 0 H ALA A 37 8.418 -1.212 7.088 1.00 10.00 H new ATOM 0 HA ALA A 37 6.646 -0.859 4.937 1.00 10.00 H new ATOM 0 HB1 ALA A 37 5.441 -2.749 5.981 1.00 10.00 H new ATOM 0 HB2 ALA A 37 7.198 -3.030 5.939 1.00 10.00 H new ATOM 0 HB3 ALA A 37 6.411 -2.542 7.459 1.00 10.00 H new ATOM 152 N LEU A 38 5.477 0.078 7.876 1.00 10.00 N ATOM 153 CA LEU A 38 4.447 0.867 8.552 1.00 10.00 C ATOM 154 C LEU A 38 4.530 2.350 8.180 1.00 10.00 C ATOM 155 O LEU A 38 3.637 3.130 8.504 1.00 10.00 O ATOM 156 CB LEU A 38 4.564 0.695 10.074 1.00 10.00 C ATOM 157 CG LEU A 38 5.699 1.474 10.750 1.00 10.00 C ATOM 158 CD1 LEU A 38 5.487 1.516 12.252 1.00 10.00 C ATOM 159 CD2 LEU A 38 7.054 0.855 10.441 1.00 10.00 C ATOM 0 H LEU A 38 6.177 -0.316 8.504 1.00 10.00 H new ATOM 0 HA LEU A 38 3.477 0.498 8.220 1.00 10.00 H new ATOM 0 HB2 LEU A 38 3.621 0.998 10.528 1.00 10.00 H new ATOM 0 HB3 LEU A 38 4.697 -0.365 10.291 1.00 10.00 H new ATOM 0 HG LEU A 38 5.687 2.489 10.354 1.00 10.00 H new ATOM 0 HD11 LEU A 38 6.300 2.072 12.719 1.00 10.00 H new ATOM 0 HD12 LEU A 38 4.539 2.006 12.472 1.00 10.00 H new ATOM 0 HD13 LEU A 38 5.470 0.500 12.646 1.00 10.00 H new ATOM 0 HD21 LEU A 38 7.838 1.430 10.934 1.00 10.00 H new ATOM 0 HD22 LEU A 38 7.075 -0.173 10.803 1.00 10.00 H new ATOM 0 HD23 LEU A 38 7.221 0.864 9.364 1.00 10.00 H new ATOM 171 N THR A 39 5.592 2.731 7.488 1.00 10.00 N ATOM 172 CA THR A 39 5.786 4.113 7.087 1.00 10.00 C ATOM 173 C THR A 39 4.820 4.500 5.962 1.00 10.00 C ATOM 174 O THR A 39 4.288 5.612 5.947 1.00 10.00 O ATOM 175 CB THR A 39 7.245 4.355 6.653 1.00 10.00 C ATOM 176 OG1 THR A 39 8.130 3.907 7.688 1.00 10.00 O ATOM 177 CG2 THR A 39 7.503 5.826 6.354 1.00 10.00 C ATOM 0 H THR A 39 6.335 2.098 7.192 1.00 10.00 H new ATOM 0 HA THR A 39 5.573 4.745 7.949 1.00 10.00 H new ATOM 0 HB THR A 39 7.426 3.792 5.737 1.00 10.00 H new ATOM 0 HG1 THR A 39 9.058 4.059 7.413 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.542 5.959 6.051 1.00 10.00 H new ATOM 0 HG22 THR A 39 6.845 6.154 5.549 1.00 10.00 H new ATOM 0 HG23 THR A 39 7.307 6.419 7.247 1.00 10.00 H new ATOM 185 N TYR A 40 4.562 3.574 5.042 1.00 10.00 N ATOM 186 CA TYR A 40 3.659 3.855 3.934 1.00 10.00 C ATOM 187 C TYR A 40 2.207 3.864 4.412 1.00 10.00 C ATOM 188 O TYR A 40 1.369 4.573 3.855 1.00 10.00 O ATOM 189 CB TYR A 40 3.839 2.834 2.808 1.00 10.00 C ATOM 190 CG TYR A 40 3.502 3.380 1.437 1.00 10.00 C ATOM 191 CD1 TYR A 40 2.223 3.259 0.911 1.00 10.00 C ATOM 192 CD2 TYR A 40 4.471 4.006 0.663 1.00 10.00 C ATOM 193 CE1 TYR A 40 1.921 3.750 -0.346 1.00 10.00 C ATOM 194 CE2 TYR A 40 4.177 4.503 -0.594 1.00 10.00 C ATOM 195 CZ TYR A 40 2.900 4.368 -1.095 1.00 10.00 C ATOM 196 OH TYR A 40 2.598 4.854 -2.346 1.00 10.00 O ATOM 0 H TYR A 40 4.960 2.635 5.042 1.00 10.00 H new ATOM 0 HA TYR A 40 3.905 4.843 3.544 1.00 10.00 H new ATOM 0 HB2 TYR A 40 4.871 2.484 2.807 1.00 10.00 H new ATOM 0 HB3 TYR A 40 3.209 1.968 3.010 1.00 10.00 H new ATOM 0 HD1 TYR A 40 1.452 2.774 1.492 1.00 10.00 H new ATOM 0 HD2 TYR A 40 5.474 4.107 1.050 1.00 10.00 H new ATOM 0 HE1 TYR A 40 0.921 3.650 -0.740 1.00 10.00 H new ATOM 0 HE2 TYR A 40 4.942 4.993 -1.178 1.00 10.00 H new ATOM 0 HH TYR A 40 3.397 5.261 -2.741 1.00 10.00 H new ATOM 206 N LEU A 41 1.920 3.078 5.452 1.00 10.00 N ATOM 207 CA LEU A 41 0.574 3.001 6.013 1.00 10.00 C ATOM 208 C LEU A 41 0.120 4.388 6.457 1.00 10.00 C ATOM 209 O LEU A 41 -1.009 4.802 6.189 1.00 10.00 O ATOM 210 CB LEU A 41 0.550 2.016 7.198 1.00 10.00 C ATOM 211 CG LEU A 41 -0.837 1.530 7.655 1.00 10.00 C ATOM 212 CD1 LEU A 41 -1.393 2.433 8.746 1.00 10.00 C ATOM 213 CD2 LEU A 41 -1.808 1.444 6.483 1.00 10.00 C ATOM 0 H LEU A 41 2.605 2.486 5.922 1.00 10.00 H new ATOM 0 HA LEU A 41 -0.113 2.636 5.250 1.00 10.00 H new ATOM 0 HB2 LEU A 41 1.146 1.144 6.930 1.00 10.00 H new ATOM 0 HB3 LEU A 41 1.043 2.490 8.047 1.00 10.00 H new ATOM 0 HG LEU A 41 -0.718 0.527 8.065 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -2.374 2.070 9.054 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -0.719 2.426 9.602 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -1.485 3.450 8.365 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -2.778 1.098 6.839 1.00 10.00 H new ATOM 0 HD22 LEU A 41 -1.918 2.429 6.029 1.00 10.00 H new ATOM 0 HD23 LEU A 41 -1.423 0.744 5.742 1.00 10.00 H new ATOM 225 N ASP A 42 1.020 5.104 7.113 1.00 10.00 N ATOM 226 CA ASP A 42 0.723 6.447 7.596 1.00 10.00 C ATOM 227 C ASP A 42 0.472 7.396 6.434 1.00 10.00 C ATOM 228 O ASP A 42 -0.448 8.212 6.474 1.00 10.00 O ATOM 229 CB ASP A 42 1.871 6.972 8.457 1.00 10.00 C ATOM 230 CG ASP A 42 1.518 8.266 9.166 1.00 10.00 C ATOM 231 OD1 ASP A 42 0.538 8.275 9.942 1.00 10.00 O ATOM 232 OD2 ASP A 42 2.230 9.275 8.976 1.00 10.00 O ATOM 0 H ASP A 42 1.963 4.779 7.324 1.00 10.00 H new ATOM 0 HA ASP A 42 -0.180 6.394 8.204 1.00 10.00 H new ATOM 0 HB2 ASP A 42 2.141 6.218 9.196 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.748 7.132 7.830 1.00 10.00 H new ATOM 237 N GLN A 43 1.293 7.270 5.396 1.00 10.00 N ATOM 238 CA GLN A 43 1.171 8.106 4.205 1.00 10.00 C ATOM 239 C GLN A 43 -0.184 7.904 3.531 1.00 10.00 C ATOM 240 O GLN A 43 -0.789 8.857 3.038 1.00 10.00 O ATOM 241 CB GLN A 43 2.297 7.795 3.221 1.00 10.00 C ATOM 242 CG GLN A 43 3.667 8.241 3.714 1.00 10.00 C ATOM 243 CD GLN A 43 3.795 9.750 3.816 1.00 10.00 C ATOM 244 OE1 GLN A 43 3.483 10.348 4.847 1.00 10.00 O ATOM 245 NE2 GLN A 43 4.253 10.372 2.745 1.00 10.00 N ATOM 0 H GLN A 43 2.055 6.593 5.355 1.00 10.00 H new ATOM 0 HA GLN A 43 1.248 9.148 4.515 1.00 10.00 H new ATOM 0 HB2 GLN A 43 2.318 6.722 3.031 1.00 10.00 H new ATOM 0 HB3 GLN A 43 2.084 8.283 2.270 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.858 7.798 4.692 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.433 7.861 3.037 1.00 10.00 H new ATOM 0 HE21 GLN A 43 4.500 9.838 1.912 1.00 10.00 H new ATOM 0 HE22 GLN A 43 4.360 11.386 2.751 1.00 10.00 H new ATOM 254 N VAL A 44 -0.654 6.661 3.522 1.00 10.00 N ATOM 255 CA VAL A 44 -1.948 6.333 2.932 1.00 10.00 C ATOM 256 C VAL A 44 -3.061 7.000 3.737 1.00 10.00 C ATOM 257 O VAL A 44 -4.006 7.556 3.177 1.00 10.00 O ATOM 258 CB VAL A 44 -2.176 4.803 2.876 1.00 10.00 C ATOM 259 CG1 VAL A 44 -3.611 4.475 2.483 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.207 4.154 1.898 1.00 10.00 C ATOM 0 H VAL A 44 -0.157 5.862 3.917 1.00 10.00 H new ATOM 0 HA VAL A 44 -1.960 6.707 1.908 1.00 10.00 H new ATOM 0 HB VAL A 44 -1.994 4.403 3.873 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -3.742 3.393 2.452 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.296 4.902 3.216 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.824 4.895 1.500 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -1.382 3.078 1.872 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.361 4.571 0.903 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.183 4.347 2.218 1.00 10.00 H new ATOM 270 N LYS A 45 -2.914 6.973 5.054 1.00 10.00 N ATOM 271 CA LYS A 45 -3.892 7.571 5.949 1.00 10.00 C ATOM 272 C LYS A 45 -3.894 9.094 5.814 1.00 10.00 C ATOM 273 O LYS A 45 -4.921 9.743 6.022 1.00 10.00 O ATOM 274 CB LYS A 45 -3.613 7.134 7.401 1.00 10.00 C ATOM 275 CG LYS A 45 -3.302 8.270 8.363 1.00 10.00 C ATOM 276 CD LYS A 45 -3.073 7.754 9.774 1.00 10.00 C ATOM 277 CE LYS A 45 -2.743 8.889 10.729 1.00 10.00 C ATOM 278 NZ LYS A 45 -1.651 9.755 10.208 1.00 10.00 N ATOM 0 H LYS A 45 -2.121 6.540 5.528 1.00 10.00 H new ATOM 0 HA LYS A 45 -4.886 7.219 5.671 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -4.480 6.589 7.774 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -2.774 6.438 7.401 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -2.416 8.806 8.022 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -4.126 8.984 8.364 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -3.964 7.231 10.121 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -2.259 7.030 9.771 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -3.635 9.492 10.898 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -2.450 8.477 11.695 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.272 10.338 10.981 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -0.892 9.160 9.819 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.025 10.373 9.460 1.00 10.00 H new ATOM 292 N ILE A 46 -2.741 9.653 5.457 1.00 10.00 N ATOM 293 CA ILE A 46 -2.611 11.092 5.283 1.00 10.00 C ATOM 294 C ILE A 46 -3.265 11.534 3.979 1.00 10.00 C ATOM 295 O ILE A 46 -4.035 12.496 3.951 1.00 10.00 O ATOM 296 CB ILE A 46 -1.127 11.542 5.293 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.517 11.326 6.680 1.00 10.00 C ATOM 298 CG2 ILE A 46 -1.001 13.006 4.878 1.00 10.00 C ATOM 299 CD1 ILE A 46 0.962 11.642 6.756 1.00 10.00 C ATOM 0 H ILE A 46 -1.884 9.128 5.283 1.00 10.00 H new ATOM 0 HA ILE A 46 -3.117 11.564 6.125 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.580 10.936 4.571 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -1.049 11.947 7.401 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.673 10.289 6.977 1.00 10.00 H new ATOM 0 HG21 ILE A 46 0.049 13.299 4.892 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.400 13.135 3.872 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.562 13.631 5.573 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.320 11.464 7.770 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.507 11.003 6.061 1.00 10.00 H new ATOM 0 HD13 ILE A 46 1.125 12.687 6.492 1.00 10.00 H new ATOM 311 N ARG A 47 -2.966 10.819 2.901 1.00 10.00 N ATOM 312 CA ARG A 47 -3.518 11.141 1.591 1.00 10.00 C ATOM 313 C ARG A 47 -5.039 11.003 1.578 1.00 10.00 C ATOM 314 O ARG A 47 -5.736 11.762 0.902 1.00 10.00 O ATOM 315 CB ARG A 47 -2.902 10.242 0.519 1.00 10.00 C ATOM 316 CG ARG A 47 -1.629 10.802 -0.101 1.00 10.00 C ATOM 317 CD ARG A 47 -1.903 12.072 -0.892 1.00 10.00 C ATOM 318 NE ARG A 47 -0.766 12.449 -1.733 1.00 10.00 N ATOM 319 CZ ARG A 47 -0.568 13.674 -2.217 1.00 10.00 C ATOM 320 NH1 ARG A 47 -1.434 14.644 -1.952 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.488 13.919 -2.981 1.00 10.00 N ATOM 0 H ARG A 47 -2.343 10.011 2.909 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.271 12.180 1.373 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.683 9.269 0.958 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.637 10.078 -0.269 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.903 11.011 0.684 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.183 10.054 -0.756 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.784 11.927 -1.517 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.131 12.886 -0.204 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.082 11.728 -1.963 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.254 14.452 -1.376 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.280 15.581 -2.324 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.146 13.170 -3.197 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.642 14.856 -3.353 1.00 10.00 H new ATOM 335 N PHE A 48 -5.548 10.044 2.333 1.00 10.00 N ATOM 336 CA PHE A 48 -6.978 9.815 2.398 1.00 10.00 C ATOM 337 C PHE A 48 -7.533 10.284 3.736 1.00 10.00 C ATOM 338 O PHE A 48 -8.378 9.628 4.338 1.00 10.00 O ATOM 339 CB PHE A 48 -7.280 8.332 2.164 1.00 10.00 C ATOM 340 CG PHE A 48 -7.023 7.900 0.747 1.00 10.00 C ATOM 341 CD1 PHE A 48 -8.023 7.980 -0.205 1.00 10.00 C ATOM 342 CD2 PHE A 48 -5.777 7.427 0.367 1.00 10.00 C ATOM 343 CE1 PHE A 48 -7.784 7.598 -1.511 1.00 10.00 C ATOM 344 CE2 PHE A 48 -5.534 7.042 -0.935 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.541 7.125 -1.876 1.00 10.00 C ATOM 0 H PHE A 48 -4.991 9.413 2.909 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.467 10.393 1.614 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -6.670 7.731 2.838 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.322 8.134 2.416 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -9.000 8.345 0.075 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -4.986 7.359 1.100 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -8.571 7.670 -2.247 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -4.558 6.676 -1.218 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.356 6.820 -2.895 1.00 10.00 H new ATOM 355 N GLY A 49 -7.056 11.438 4.187 1.00 10.00 N ATOM 356 CA GLY A 49 -7.505 11.987 5.452 1.00 10.00 C ATOM 357 C GLY A 49 -8.934 12.489 5.393 1.00 10.00 C ATOM 358 O GLY A 49 -9.639 12.504 6.407 1.00 10.00 O ATOM 0 H GLY A 49 -6.364 12.005 3.697 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.423 11.223 6.225 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -6.847 12.806 5.743 1.00 10.00 H new ATOM 362 N SER A 50 -9.366 12.889 4.199 1.00 10.00 N ATOM 363 CA SER A 50 -10.715 13.398 3.998 1.00 10.00 C ATOM 364 C SER A 50 -11.607 12.320 3.387 1.00 10.00 C ATOM 365 O SER A 50 -12.766 12.569 3.051 1.00 10.00 O ATOM 366 CB SER A 50 -10.677 14.637 3.094 1.00 10.00 C ATOM 367 OG SER A 50 -11.918 15.325 3.105 1.00 10.00 O ATOM 0 H SER A 50 -8.796 12.869 3.354 1.00 10.00 H new ATOM 0 HA SER A 50 -11.132 13.680 4.965 1.00 10.00 H new ATOM 0 HB2 SER A 50 -9.885 15.308 3.427 1.00 10.00 H new ATOM 0 HB3 SER A 50 -10.434 14.338 2.074 1.00 10.00 H new ATOM 0 HG SER A 50 -12.652 14.676 3.106 1.00 10.00 H new ATOM 373 N ASP A 51 -11.056 11.121 3.255 1.00 10.00 N ATOM 374 CA ASP A 51 -11.789 9.992 2.692 1.00 10.00 C ATOM 375 C ASP A 51 -11.551 8.742 3.531 1.00 10.00 C ATOM 376 O ASP A 51 -10.662 7.939 3.238 1.00 10.00 O ATOM 377 CB ASP A 51 -11.374 9.742 1.238 1.00 10.00 C ATOM 378 CG ASP A 51 -12.312 8.787 0.518 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.455 7.628 0.959 1.00 10.00 O ATOM 380 OD2 ASP A 51 -12.908 9.190 -0.509 1.00 10.00 O ATOM 0 H ASP A 51 -10.099 10.903 3.531 1.00 10.00 H new ATOM 0 HA ASP A 51 -12.852 10.232 2.706 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -11.348 10.691 0.703 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -10.363 9.336 1.217 1.00 10.00 H new ATOM 385 N PRO A 52 -12.351 8.554 4.590 1.00 10.00 N ATOM 386 CA PRO A 52 -12.215 7.397 5.477 1.00 10.00 C ATOM 387 C PRO A 52 -12.735 6.107 4.845 1.00 10.00 C ATOM 388 O PRO A 52 -12.425 5.008 5.309 1.00 10.00 O ATOM 389 CB PRO A 52 -13.065 7.787 6.688 1.00 10.00 C ATOM 390 CG PRO A 52 -14.091 8.731 6.159 1.00 10.00 C ATOM 391 CD PRO A 52 -13.442 9.460 5.010 1.00 10.00 C ATOM 0 HA PRO A 52 -11.173 7.186 5.717 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.531 6.912 7.140 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.457 8.259 7.460 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -14.979 8.194 5.827 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.412 9.430 6.932 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.148 9.639 4.199 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.058 10.432 5.319 1.00 10.00 H new ATOM 399 N ALA A 53 -13.507 6.246 3.773 1.00 10.00 N ATOM 400 CA ALA A 53 -14.078 5.097 3.085 1.00 10.00 C ATOM 401 C ALA A 53 -12.994 4.269 2.407 1.00 10.00 C ATOM 402 O ALA A 53 -12.929 3.049 2.581 1.00 10.00 O ATOM 403 CB ALA A 53 -15.115 5.552 2.070 1.00 10.00 C ATOM 0 H ALA A 53 -13.752 7.147 3.362 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.567 4.466 3.827 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.534 4.683 1.563 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -15.912 6.093 2.581 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.644 6.207 1.337 1.00 10.00 H new ATOM 409 N THR A 54 -12.133 4.934 1.653 1.00 10.00 N ATOM 410 CA THR A 54 -11.053 4.250 0.952 1.00 10.00 C ATOM 411 C THR A 54 -10.046 3.665 1.945 1.00 10.00 C ATOM 412 O THR A 54 -9.475 2.596 1.710 1.00 10.00 O ATOM 413 CB THR A 54 -10.331 5.202 -0.022 1.00 10.00 C ATOM 414 OG1 THR A 54 -11.290 6.027 -0.703 1.00 10.00 O ATOM 415 CG2 THR A 54 -9.527 4.426 -1.053 1.00 10.00 C ATOM 0 H THR A 54 -12.159 5.944 1.510 1.00 10.00 H new ATOM 0 HA THR A 54 -11.498 3.437 0.378 1.00 10.00 H new ATOM 0 HB THR A 54 -9.651 5.823 0.561 1.00 10.00 H new ATOM 0 HG1 THR A 54 -11.812 6.533 -0.046 1.00 10.00 H new ATOM 0 HG21 THR A 54 -9.029 5.124 -1.726 1.00 10.00 H new ATOM 0 HG22 THR A 54 -8.780 3.814 -0.547 1.00 10.00 H new ATOM 0 HG23 THR A 54 -10.195 3.783 -1.626 1.00 10.00 H new ATOM 423 N TYR A 55 -9.859 4.356 3.067 1.00 10.00 N ATOM 424 CA TYR A 55 -8.925 3.903 4.094 1.00 10.00 C ATOM 425 C TYR A 55 -9.426 2.622 4.751 1.00 10.00 C ATOM 426 O TYR A 55 -8.652 1.693 4.993 1.00 10.00 O ATOM 427 CB TYR A 55 -8.697 4.982 5.155 1.00 10.00 C ATOM 428 CG TYR A 55 -7.543 4.678 6.084 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.262 4.485 5.583 1.00 10.00 C ATOM 430 CD2 TYR A 55 -7.733 4.584 7.455 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.204 4.209 6.424 1.00 10.00 C ATOM 432 CE2 TYR A 55 -6.680 4.306 8.300 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.420 4.122 7.781 1.00 10.00 C ATOM 434 OH TYR A 55 -4.371 3.854 8.625 1.00 10.00 O ATOM 0 H TYR A 55 -10.340 5.228 3.287 1.00 10.00 H new ATOM 0 HA TYR A 55 -7.973 3.700 3.605 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.513 5.935 4.659 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -9.607 5.099 5.744 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -6.092 4.552 4.519 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -8.721 4.731 7.866 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -4.213 4.062 6.021 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -6.844 4.233 9.365 1.00 10.00 H new ATOM 0 HH TYR A 55 -4.694 3.828 9.550 1.00 10.00 H new ATOM 444 N ASN A 56 -10.721 2.569 5.023 1.00 10.00 N ATOM 445 CA ASN A 56 -11.318 1.396 5.649 1.00 10.00 C ATOM 446 C ASN A 56 -11.166 0.173 4.750 1.00 10.00 C ATOM 447 O ASN A 56 -10.898 -0.932 5.224 1.00 10.00 O ATOM 448 CB ASN A 56 -12.798 1.635 5.958 1.00 10.00 C ATOM 449 CG ASN A 56 -13.141 1.311 7.399 1.00 10.00 C ATOM 450 OD1 ASN A 56 -12.452 0.535 8.058 1.00 10.00 O ATOM 451 ND2 ASN A 56 -14.215 1.896 7.900 1.00 10.00 N ATOM 0 H ASN A 56 -11.379 3.322 4.821 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.793 1.213 6.587 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -13.047 2.676 5.752 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.409 1.024 5.294 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -14.495 1.709 8.863 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.763 2.535 7.324 1.00 10.00 H new ATOM 458 N GLY A 57 -11.317 0.390 3.445 1.00 10.00 N ATOM 459 CA GLY A 57 -11.184 -0.693 2.489 1.00 10.00 C ATOM 460 C GLY A 57 -9.766 -1.229 2.435 1.00 10.00 C ATOM 461 O GLY A 57 -9.551 -2.423 2.215 1.00 10.00 O ATOM 0 H GLY A 57 -11.529 1.299 3.034 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -11.867 -1.499 2.757 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.477 -0.342 1.500 1.00 10.00 H new ATOM 465 N PHE A 58 -8.797 -0.339 2.640 1.00 10.00 N ATOM 466 CA PHE A 58 -7.389 -0.717 2.628 1.00 10.00 C ATOM 467 C PHE A 58 -7.105 -1.724 3.738 1.00 10.00 C ATOM 468 O PHE A 58 -6.393 -2.713 3.532 1.00 10.00 O ATOM 469 CB PHE A 58 -6.504 0.525 2.798 1.00 10.00 C ATOM 470 CG PHE A 58 -5.063 0.287 2.463 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.136 0.059 3.464 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.635 0.296 1.147 1.00 10.00 C ATOM 473 CE1 PHE A 58 -2.807 -0.155 3.160 1.00 10.00 C ATOM 474 CE2 PHE A 58 -3.307 0.080 0.831 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.389 -0.146 1.842 1.00 10.00 C ATOM 0 H PHE A 58 -8.964 0.652 2.817 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.159 -1.180 1.668 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -6.888 1.324 2.164 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -6.576 0.873 3.828 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.456 0.048 4.495 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -5.348 0.474 0.356 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.093 -0.330 3.952 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.987 0.088 -0.200 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.350 -0.315 1.602 1.00 10.00 H new ATOM 485 N LEU A 59 -7.685 -1.479 4.908 1.00 10.00 N ATOM 486 CA LEU A 59 -7.504 -2.363 6.053 1.00 10.00 C ATOM 487 C LEU A 59 -8.153 -3.716 5.784 1.00 10.00 C ATOM 488 O LEU A 59 -7.633 -4.762 6.181 1.00 10.00 O ATOM 489 CB LEU A 59 -8.104 -1.730 7.310 1.00 10.00 C ATOM 490 CG LEU A 59 -7.648 -0.293 7.596 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.514 0.334 8.679 1.00 10.00 C ATOM 492 CD2 LEU A 59 -6.182 -0.267 8.004 1.00 10.00 C ATOM 0 H LEU A 59 -8.285 -0.674 5.088 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.436 -2.513 6.212 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.190 -1.739 7.219 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -7.851 -2.353 8.168 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.760 0.291 6.683 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -8.177 1.353 8.870 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.553 0.351 8.350 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.433 -0.252 9.594 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -5.878 0.761 8.202 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -6.044 -0.866 8.904 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.573 -0.677 7.198 1.00 10.00 H new ATOM 504 N GLU A 60 -9.282 -3.687 5.092 1.00 10.00 N ATOM 505 CA GLU A 60 -10.003 -4.902 4.750 1.00 10.00 C ATOM 506 C GLU A 60 -9.151 -5.801 3.859 1.00 10.00 C ATOM 507 O GLU A 60 -9.104 -7.016 4.050 1.00 10.00 O ATOM 508 CB GLU A 60 -11.319 -4.556 4.050 1.00 10.00 C ATOM 509 CG GLU A 60 -12.432 -4.151 4.998 1.00 10.00 C ATOM 510 CD GLU A 60 -12.756 -5.244 5.992 1.00 10.00 C ATOM 511 OE1 GLU A 60 -12.986 -6.392 5.561 1.00 10.00 O ATOM 512 OE2 GLU A 60 -12.778 -4.964 7.204 1.00 10.00 O ATOM 0 H GLU A 60 -9.720 -2.830 4.755 1.00 10.00 H new ATOM 0 HA GLU A 60 -10.225 -5.442 5.671 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -11.142 -3.743 3.345 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -11.647 -5.417 3.468 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -12.141 -3.248 5.534 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.326 -3.906 4.424 1.00 10.00 H new ATOM 519 N ILE A 61 -8.475 -5.193 2.895 1.00 10.00 N ATOM 520 CA ILE A 61 -7.617 -5.932 1.980 1.00 10.00 C ATOM 521 C ILE A 61 -6.425 -6.531 2.728 1.00 10.00 C ATOM 522 O ILE A 61 -5.989 -7.647 2.437 1.00 10.00 O ATOM 523 CB ILE A 61 -7.122 -5.025 0.833 1.00 10.00 C ATOM 524 CG1 ILE A 61 -8.313 -4.553 -0.014 1.00 10.00 C ATOM 525 CG2 ILE A 61 -6.102 -5.755 -0.030 1.00 10.00 C ATOM 526 CD1 ILE A 61 -7.987 -3.390 -0.927 1.00 10.00 C ATOM 0 H ILE A 61 -8.504 -4.188 2.726 1.00 10.00 H new ATOM 0 HA ILE A 61 -8.205 -6.742 1.549 1.00 10.00 H new ATOM 0 HB ILE A 61 -6.632 -4.152 1.264 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -8.672 -5.387 -0.617 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -9.128 -4.265 0.650 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -5.767 -5.097 -0.832 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -5.248 -6.045 0.582 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -6.560 -6.646 -0.459 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -8.876 -3.112 -1.493 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -7.657 -2.540 -0.330 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -7.194 -3.680 -1.616 1.00 10.00 H new ATOM 538 N MET A 62 -5.914 -5.792 3.708 1.00 10.00 N ATOM 539 CA MET A 62 -4.780 -6.261 4.499 1.00 10.00 C ATOM 540 C MET A 62 -5.142 -7.536 5.254 1.00 10.00 C ATOM 541 O MET A 62 -4.308 -8.421 5.431 1.00 10.00 O ATOM 542 CB MET A 62 -4.306 -5.184 5.481 1.00 10.00 C ATOM 543 CG MET A 62 -3.394 -4.141 4.853 1.00 10.00 C ATOM 544 SD MET A 62 -2.501 -3.167 6.081 1.00 10.00 S ATOM 545 CE MET A 62 -1.418 -4.411 6.785 1.00 10.00 C ATOM 0 H MET A 62 -6.264 -4.871 3.973 1.00 10.00 H new ATOM 0 HA MET A 62 -3.963 -6.479 3.811 1.00 10.00 H new ATOM 0 HB2 MET A 62 -5.176 -4.684 5.906 1.00 10.00 H new ATOM 0 HB3 MET A 62 -3.780 -5.664 6.306 1.00 10.00 H new ATOM 0 HG2 MET A 62 -2.678 -4.638 4.198 1.00 10.00 H new ATOM 0 HG3 MET A 62 -3.988 -3.474 4.228 1.00 10.00 H new ATOM 0 HE1 MET A 62 -0.544 -3.928 7.222 1.00 10.00 H new ATOM 0 HE2 MET A 62 -1.952 -4.963 7.559 1.00 10.00 H new ATOM 0 HE3 MET A 62 -1.098 -5.100 6.003 1.00 10.00 H new ATOM 555 N LYS A 63 -6.398 -7.634 5.675 1.00 10.00 N ATOM 556 CA LYS A 63 -6.881 -8.803 6.403 1.00 10.00 C ATOM 557 C LYS A 63 -6.781 -10.055 5.536 1.00 10.00 C ATOM 558 O LYS A 63 -6.431 -11.129 6.026 1.00 10.00 O ATOM 559 CB LYS A 63 -8.322 -8.583 6.871 1.00 10.00 C ATOM 560 CG LYS A 63 -8.456 -7.490 7.923 1.00 10.00 C ATOM 561 CD LYS A 63 -9.916 -7.128 8.180 1.00 10.00 C ATOM 562 CE LYS A 63 -10.042 -5.983 9.172 1.00 10.00 C ATOM 563 NZ LYS A 63 -11.465 -5.620 9.433 1.00 10.00 N ATOM 0 H LYS A 63 -7.104 -6.914 5.524 1.00 10.00 H new ATOM 0 HA LYS A 63 -6.252 -8.947 7.282 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -8.940 -8.327 6.011 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -8.711 -9.517 7.276 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -7.995 -7.822 8.853 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -7.913 -6.603 7.597 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.394 -6.850 7.240 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -10.446 -8.001 8.561 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -9.562 -6.262 10.110 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.511 -5.112 8.789 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -11.531 -5.098 10.330 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -11.819 -5.023 8.658 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -12.039 -6.485 9.493 1.00 10.00 H new ATOM 577 N GLU A 64 -7.076 -9.907 4.247 1.00 10.00 N ATOM 578 CA GLU A 64 -6.996 -11.024 3.311 1.00 10.00 C ATOM 579 C GLU A 64 -5.544 -11.455 3.162 1.00 10.00 C ATOM 580 O GLU A 64 -5.239 -12.642 3.036 1.00 10.00 O ATOM 581 CB GLU A 64 -7.558 -10.626 1.944 1.00 10.00 C ATOM 582 CG GLU A 64 -9.053 -10.365 1.942 1.00 10.00 C ATOM 583 CD GLU A 64 -9.580 -10.028 0.560 1.00 10.00 C ATOM 584 OE1 GLU A 64 -10.322 -10.851 -0.019 1.00 10.00 O ATOM 585 OE2 GLU A 64 -9.264 -8.937 0.045 1.00 10.00 O ATOM 0 H GLU A 64 -7.372 -9.026 3.828 1.00 10.00 H new ATOM 0 HA GLU A 64 -7.589 -11.851 3.701 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.043 -9.730 1.598 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.337 -11.417 1.228 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.573 -11.245 2.321 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.277 -9.544 2.623 1.00 10.00 H new ATOM 592 N PHE A 65 -4.654 -10.473 3.181 1.00 10.00 N ATOM 593 CA PHE A 65 -3.225 -10.721 3.063 1.00 10.00 C ATOM 594 C PHE A 65 -2.712 -11.427 4.318 1.00 10.00 C ATOM 595 O PHE A 65 -1.957 -12.393 4.233 1.00 10.00 O ATOM 596 CB PHE A 65 -2.486 -9.396 2.848 1.00 10.00 C ATOM 597 CG PHE A 65 -1.069 -9.551 2.374 1.00 10.00 C ATOM 598 CD1 PHE A 65 -0.008 -9.244 3.209 1.00 10.00 C ATOM 599 CD2 PHE A 65 -0.802 -9.991 1.088 1.00 10.00 C ATOM 600 CE1 PHE A 65 1.296 -9.374 2.771 1.00 10.00 C ATOM 601 CE2 PHE A 65 0.498 -10.126 0.644 1.00 10.00 C ATOM 602 CZ PHE A 65 1.550 -9.816 1.487 1.00 10.00 C ATOM 0 H PHE A 65 -4.900 -9.488 3.278 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.040 -11.367 2.205 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -3.037 -8.799 2.121 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.485 -8.837 3.784 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.202 -8.899 4.214 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -1.620 -10.231 0.425 1.00 10.00 H new ATOM 0 HE1 PHE A 65 2.115 -9.131 3.431 1.00 10.00 H new ATOM 0 HE2 PHE A 65 0.693 -10.473 -0.360 1.00 10.00 H new ATOM 0 HZ PHE A 65 2.568 -9.919 1.142 1.00 10.00 H new ATOM 612 N LYS A 66 -3.156 -10.951 5.481 1.00 10.00 N ATOM 613 CA LYS A 66 -2.758 -11.524 6.767 1.00 10.00 C ATOM 614 C LYS A 66 -3.251 -12.962 6.907 1.00 10.00 C ATOM 615 O LYS A 66 -2.563 -13.811 7.466 1.00 10.00 O ATOM 616 CB LYS A 66 -3.312 -10.682 7.917 1.00 10.00 C ATOM 617 CG LYS A 66 -2.722 -9.284 8.000 1.00 10.00 C ATOM 618 CD LYS A 66 -3.570 -8.379 8.881 1.00 10.00 C ATOM 619 CE LYS A 66 -3.424 -8.726 10.357 1.00 10.00 C ATOM 620 NZ LYS A 66 -2.192 -8.149 10.953 1.00 10.00 N ATOM 0 H LYS A 66 -3.798 -10.162 5.559 1.00 10.00 H new ATOM 0 HA LYS A 66 -1.669 -11.524 6.807 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.394 -10.603 7.807 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -3.124 -11.201 8.857 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -1.709 -9.337 8.398 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -2.649 -8.857 7.000 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -3.279 -7.341 8.721 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -4.617 -8.465 8.589 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -4.294 -8.360 10.902 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -3.408 -9.810 10.473 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -2.136 -8.412 11.958 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -1.358 -8.518 10.452 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -2.217 -7.113 10.867 1.00 10.00 H new ATOM 634 N SER A 67 -4.447 -13.226 6.396 1.00 10.00 N ATOM 635 CA SER A 67 -5.036 -14.562 6.475 1.00 10.00 C ATOM 636 C SER A 67 -4.508 -15.470 5.362 1.00 10.00 C ATOM 637 O SER A 67 -4.955 -16.613 5.214 1.00 10.00 O ATOM 638 CB SER A 67 -6.563 -14.462 6.398 1.00 10.00 C ATOM 639 OG SER A 67 -7.056 -13.477 7.292 1.00 10.00 O ATOM 0 H SER A 67 -5.030 -12.535 5.923 1.00 10.00 H new ATOM 0 HA SER A 67 -4.751 -15.005 7.429 1.00 10.00 H new ATOM 0 HB2 SER A 67 -6.864 -14.216 5.379 1.00 10.00 H new ATOM 0 HB3 SER A 67 -7.006 -15.429 6.637 1.00 10.00 H new ATOM 0 HG SER A 67 -6.781 -12.588 6.984 1.00 10.00 H new ATOM 645 N GLN A 68 -3.560 -14.946 4.584 1.00 10.00 N ATOM 646 CA GLN A 68 -2.947 -15.684 3.480 1.00 10.00 C ATOM 647 C GLN A 68 -3.989 -16.122 2.455 1.00 10.00 C ATOM 648 O GLN A 68 -3.815 -17.131 1.774 1.00 10.00 O ATOM 649 CB GLN A 68 -2.183 -16.905 4.002 1.00 10.00 C ATOM 650 CG GLN A 68 -0.952 -16.552 4.813 1.00 10.00 C ATOM 651 CD GLN A 68 -0.204 -17.776 5.292 1.00 10.00 C ATOM 652 OE1 GLN A 68 0.688 -18.277 4.607 1.00 10.00 O ATOM 653 NE2 GLN A 68 -0.566 -18.270 6.465 1.00 10.00 N ATOM 0 H GLN A 68 -3.196 -14.000 4.701 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.246 -15.010 2.987 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -2.853 -17.506 4.617 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -1.885 -17.525 3.156 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.286 -15.937 4.208 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -1.247 -15.951 5.673 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -1.311 -17.822 6.999 1.00 10.00 H new ATOM 0 HE22 GLN A 68 -0.100 -19.099 6.835 1.00 10.00 H new ATOM 662 N SER A 69 -5.072 -15.363 2.341 1.00 10.00 N ATOM 663 CA SER A 69 -6.126 -15.687 1.390 1.00 10.00 C ATOM 664 C SER A 69 -5.687 -15.324 -0.024 1.00 10.00 C ATOM 665 O SER A 69 -5.964 -16.047 -0.984 1.00 10.00 O ATOM 666 CB SER A 69 -7.411 -14.945 1.756 1.00 10.00 C ATOM 667 OG SER A 69 -7.705 -15.087 3.137 1.00 10.00 O ATOM 0 H SER A 69 -5.242 -14.522 2.893 1.00 10.00 H new ATOM 0 HA SER A 69 -6.320 -16.759 1.430 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.308 -13.888 1.509 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.240 -15.331 1.163 1.00 10.00 H new ATOM 0 HG SER A 69 -8.530 -14.602 3.347 1.00 10.00 H new ATOM 673 N ILE A 70 -4.989 -14.203 -0.139 1.00 10.00 N ATOM 674 CA ILE A 70 -4.495 -13.728 -1.422 1.00 10.00 C ATOM 675 C ILE A 70 -2.981 -13.603 -1.385 1.00 10.00 C ATOM 676 O ILE A 70 -2.380 -13.502 -0.311 1.00 10.00 O ATOM 677 CB ILE A 70 -5.119 -12.370 -1.810 1.00 10.00 C ATOM 678 CG1 ILE A 70 -4.920 -11.347 -0.688 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.601 -12.549 -2.121 1.00 10.00 C ATOM 680 CD1 ILE A 70 -5.408 -9.959 -1.036 1.00 10.00 C ATOM 0 H ILE A 70 -4.751 -13.601 0.649 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.786 -14.459 -2.176 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.618 -11.994 -2.702 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -5.443 -11.693 0.204 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -3.860 -11.298 -0.437 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -7.034 -11.587 -2.394 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.717 -13.247 -2.950 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -7.112 -12.941 -1.242 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -5.234 -9.290 -0.193 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -4.868 -9.592 -1.909 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -6.475 -9.993 -1.257 1.00 10.00 H new ATOM 692 N ASP A 71 -2.365 -13.631 -2.554 1.00 10.00 N ATOM 693 CA ASP A 71 -0.920 -13.520 -2.654 1.00 10.00 C ATOM 694 C ASP A 71 -0.529 -12.151 -3.193 1.00 10.00 C ATOM 695 O ASP A 71 -1.343 -11.222 -3.192 1.00 10.00 O ATOM 696 CB ASP A 71 -0.351 -14.625 -3.552 1.00 10.00 C ATOM 697 CG ASP A 71 0.072 -15.858 -2.776 1.00 10.00 C ATOM 698 OD1 ASP A 71 0.948 -15.742 -1.897 1.00 10.00 O ATOM 699 OD2 ASP A 71 -0.462 -16.954 -3.055 1.00 10.00 O ATOM 0 H ASP A 71 -2.844 -13.730 -3.449 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.499 -13.637 -1.655 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -1.100 -14.907 -4.292 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.507 -14.235 -4.100 1.00 10.00 H new ATOM 704 N THR A 72 0.711 -12.034 -3.655 1.00 10.00 N ATOM 705 CA THR A 72 1.224 -10.782 -4.195 1.00 10.00 C ATOM 706 C THR A 72 0.349 -10.220 -5.333 1.00 10.00 C ATOM 707 O THR A 72 -0.138 -9.095 -5.229 1.00 10.00 O ATOM 708 CB THR A 72 2.674 -10.963 -4.677 1.00 10.00 C ATOM 709 OG1 THR A 72 3.074 -12.332 -4.496 1.00 10.00 O ATOM 710 CG2 THR A 72 3.616 -10.049 -3.910 1.00 10.00 C ATOM 0 H THR A 72 1.385 -12.800 -3.666 1.00 10.00 H new ATOM 0 HA THR A 72 1.197 -10.053 -3.385 1.00 10.00 H new ATOM 0 HB THR A 72 2.724 -10.702 -5.734 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.248 -12.499 -3.546 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.635 -10.194 -4.268 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.322 -9.011 -4.064 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.567 -10.286 -2.847 1.00 10.00 H new ATOM 718 N PRO A 73 0.111 -10.984 -6.425 1.00 10.00 N ATOM 719 CA PRO A 73 -0.710 -10.506 -7.548 1.00 10.00 C ATOM 720 C PRO A 73 -2.147 -10.178 -7.131 1.00 10.00 C ATOM 721 O PRO A 73 -2.789 -9.307 -7.724 1.00 10.00 O ATOM 722 CB PRO A 73 -0.693 -11.675 -8.539 1.00 10.00 C ATOM 723 CG PRO A 73 -0.294 -12.867 -7.744 1.00 10.00 C ATOM 724 CD PRO A 73 0.606 -12.356 -6.659 1.00 10.00 C ATOM 0 HA PRO A 73 -0.318 -9.577 -7.962 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -1.673 -11.817 -8.994 1.00 10.00 H new ATOM 0 HB3 PRO A 73 0.011 -11.491 -9.350 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.167 -13.366 -7.324 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.222 -13.597 -8.367 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.538 -12.967 -5.759 1.00 10.00 H new ATOM 0 HD3 PRO A 73 1.651 -12.359 -6.968 1.00 10.00 H new ATOM 732 N GLY A 74 -2.647 -10.874 -6.109 1.00 10.00 N ATOM 733 CA GLY A 74 -3.999 -10.633 -5.642 1.00 10.00 C ATOM 734 C GLY A 74 -4.114 -9.329 -4.890 1.00 10.00 C ATOM 735 O GLY A 74 -4.998 -8.517 -5.163 1.00 10.00 O ATOM 0 H GLY A 74 -2.139 -11.597 -5.600 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -4.680 -10.622 -6.493 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -4.311 -11.453 -4.995 1.00 10.00 H new ATOM 739 N VAL A 75 -3.195 -9.113 -3.956 1.00 10.00 N ATOM 740 CA VAL A 75 -3.193 -7.897 -3.156 1.00 10.00 C ATOM 741 C VAL A 75 -2.951 -6.667 -4.038 1.00 10.00 C ATOM 742 O VAL A 75 -3.456 -5.578 -3.749 1.00 10.00 O ATOM 743 CB VAL A 75 -2.155 -7.976 -2.012 1.00 10.00 C ATOM 744 CG1 VAL A 75 -0.734 -7.790 -2.522 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.474 -6.959 -0.934 1.00 10.00 C ATOM 0 H VAL A 75 -2.442 -9.765 -3.735 1.00 10.00 H new ATOM 0 HA VAL A 75 -4.177 -7.797 -2.698 1.00 10.00 H new ATOM 0 HB VAL A 75 -2.217 -8.975 -1.581 1.00 10.00 H new ATOM 0 HG11 VAL A 75 -0.037 -7.852 -1.687 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.503 -8.570 -3.247 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.643 -6.814 -2.998 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -1.733 -7.029 -0.137 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.453 -5.957 -1.362 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.465 -7.159 -0.527 1.00 10.00 H new ATOM 755 N ILE A 76 -2.200 -6.851 -5.129 1.00 10.00 N ATOM 756 CA ILE A 76 -1.925 -5.765 -6.064 1.00 10.00 C ATOM 757 C ILE A 76 -3.217 -5.340 -6.753 1.00 10.00 C ATOM 758 O ILE A 76 -3.556 -4.159 -6.790 1.00 10.00 O ATOM 759 CB ILE A 76 -0.882 -6.173 -7.133 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.492 -6.382 -6.488 1.00 10.00 C ATOM 761 CG2 ILE A 76 -0.789 -5.112 -8.224 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.507 -7.013 -7.416 1.00 10.00 C ATOM 0 H ILE A 76 -1.774 -7.742 -5.383 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.512 -4.934 -5.492 1.00 10.00 H new ATOM 0 HB ILE A 76 -1.206 -7.111 -7.584 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.874 -5.420 -6.146 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.378 -7.012 -5.606 1.00 10.00 H new ATOM 0 HG21 ILE A 76 -0.051 -5.417 -8.966 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -1.761 -4.998 -8.704 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -0.489 -4.162 -7.783 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.455 -7.131 -6.892 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.147 -7.990 -7.739 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.651 -6.374 -8.287 1.00 10.00 H new ATOM 774 N ARG A 77 -3.950 -6.322 -7.267 1.00 10.00 N ATOM 775 CA ARG A 77 -5.213 -6.063 -7.951 1.00 10.00 C ATOM 776 C ARG A 77 -6.219 -5.410 -7.004 1.00 10.00 C ATOM 777 O ARG A 77 -6.914 -4.460 -7.373 1.00 10.00 O ATOM 778 CB ARG A 77 -5.789 -7.368 -8.506 1.00 10.00 C ATOM 779 CG ARG A 77 -7.079 -7.179 -9.286 1.00 10.00 C ATOM 780 CD ARG A 77 -7.603 -8.498 -9.837 1.00 10.00 C ATOM 781 NE ARG A 77 -8.082 -9.390 -8.780 1.00 10.00 N ATOM 782 CZ ARG A 77 -8.241 -10.708 -8.926 1.00 10.00 C ATOM 783 NH1 ARG A 77 -7.959 -11.294 -10.084 1.00 10.00 N ATOM 784 NH2 ARG A 77 -8.694 -11.435 -7.913 1.00 10.00 N ATOM 0 H ARG A 77 -3.691 -7.307 -7.223 1.00 10.00 H new ATOM 0 HA ARG A 77 -5.021 -5.378 -8.776 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -5.048 -7.836 -9.154 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -5.971 -8.056 -7.680 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -7.833 -6.730 -8.639 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -6.909 -6.483 -10.108 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -8.414 -8.300 -10.538 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -6.812 -8.995 -10.398 1.00 10.00 H new ATOM 0 HE ARG A 77 -8.309 -8.979 -7.874 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -7.619 -10.737 -10.868 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -8.082 -12.301 -10.189 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -8.920 -10.987 -7.025 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -8.816 -12.442 -8.022 1.00 10.00 H new ATOM 798 N ARG A 78 -6.275 -5.918 -5.777 1.00 10.00 N ATOM 799 CA ARG A 78 -7.188 -5.399 -4.765 1.00 10.00 C ATOM 800 C ARG A 78 -6.977 -3.900 -4.532 1.00 10.00 C ATOM 801 O ARG A 78 -7.941 -3.142 -4.408 1.00 10.00 O ATOM 802 CB ARG A 78 -7.004 -6.156 -3.448 1.00 10.00 C ATOM 803 CG ARG A 78 -7.772 -7.464 -3.369 1.00 10.00 C ATOM 804 CD ARG A 78 -9.274 -7.232 -3.302 1.00 10.00 C ATOM 805 NE ARG A 78 -9.956 -8.256 -2.515 1.00 10.00 N ATOM 806 CZ ARG A 78 -11.179 -8.725 -2.788 1.00 10.00 C ATOM 807 NH1 ARG A 78 -11.858 -8.250 -3.833 1.00 10.00 N ATOM 808 NH2 ARG A 78 -11.716 -9.668 -2.029 1.00 10.00 N ATOM 0 H ARG A 78 -5.695 -6.694 -5.458 1.00 10.00 H new ATOM 0 HA ARG A 78 -8.204 -5.546 -5.132 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -5.943 -6.361 -3.305 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -7.318 -5.513 -2.626 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -7.537 -8.077 -4.239 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.450 -8.022 -2.490 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.469 -6.252 -2.867 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -9.683 -7.220 -4.312 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.468 -8.638 -1.705 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.445 -7.529 -4.424 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -12.790 -8.608 -4.041 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -11.197 -10.039 -1.233 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -12.649 -10.023 -2.240 1.00 10.00 H new ATOM 822 N VAL A 79 -5.719 -3.468 -4.488 1.00 10.00 N ATOM 823 CA VAL A 79 -5.421 -2.063 -4.258 1.00 10.00 C ATOM 824 C VAL A 79 -5.478 -1.254 -5.557 1.00 10.00 C ATOM 825 O VAL A 79 -5.689 -0.042 -5.529 1.00 10.00 O ATOM 826 CB VAL A 79 -4.050 -1.871 -3.563 1.00 10.00 C ATOM 827 CG1 VAL A 79 -2.890 -2.042 -4.535 1.00 10.00 C ATOM 828 CG2 VAL A 79 -3.982 -0.516 -2.875 1.00 10.00 C ATOM 0 H VAL A 79 -4.901 -4.065 -4.607 1.00 10.00 H new ATOM 0 HA VAL A 79 -6.194 -1.686 -3.588 1.00 10.00 H new ATOM 0 HB VAL A 79 -3.956 -2.651 -2.807 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -1.948 -1.899 -4.006 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -2.918 -3.044 -4.962 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -2.973 -1.305 -5.334 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -3.011 -0.401 -2.393 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -4.116 0.274 -3.614 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -4.770 -0.449 -2.125 1.00 10.00 H new ATOM 838 N SER A 80 -5.320 -1.927 -6.696 1.00 10.00 N ATOM 839 CA SER A 80 -5.360 -1.249 -7.987 1.00 10.00 C ATOM 840 C SER A 80 -6.740 -0.650 -8.240 1.00 10.00 C ATOM 841 O SER A 80 -6.864 0.480 -8.705 1.00 10.00 O ATOM 842 CB SER A 80 -4.992 -2.206 -9.119 1.00 10.00 C ATOM 843 OG SER A 80 -3.663 -2.679 -8.980 1.00 10.00 O ATOM 0 H SER A 80 -5.164 -2.934 -6.750 1.00 10.00 H new ATOM 0 HA SER A 80 -4.626 -0.443 -7.962 1.00 10.00 H new ATOM 0 HB2 SER A 80 -5.682 -3.050 -9.124 1.00 10.00 H new ATOM 0 HB3 SER A 80 -5.102 -1.699 -10.077 1.00 10.00 H new ATOM 0 HG SER A 80 -3.545 -3.065 -8.087 1.00 10.00 H new ATOM 849 N GLN A 81 -7.779 -1.413 -7.911 1.00 10.00 N ATOM 850 CA GLN A 81 -9.151 -0.951 -8.095 1.00 10.00 C ATOM 851 C GLN A 81 -9.532 0.030 -6.991 1.00 10.00 C ATOM 852 O GLN A 81 -10.532 0.736 -7.091 1.00 10.00 O ATOM 853 CB GLN A 81 -10.122 -2.135 -8.102 1.00 10.00 C ATOM 854 CG GLN A 81 -10.070 -2.969 -9.372 1.00 10.00 C ATOM 855 CD GLN A 81 -10.476 -2.184 -10.604 1.00 10.00 C ATOM 856 OE1 GLN A 81 -11.658 -2.084 -10.927 1.00 10.00 O ATOM 857 NE2 GLN A 81 -9.500 -1.627 -11.306 1.00 10.00 N ATOM 0 H GLN A 81 -7.697 -2.350 -7.517 1.00 10.00 H new ATOM 0 HA GLN A 81 -9.215 -0.443 -9.057 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.903 -2.777 -7.249 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -11.137 -1.761 -7.967 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -9.059 -3.354 -9.508 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -10.727 -3.832 -9.263 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -8.531 -1.733 -11.005 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -9.718 -1.093 -12.147 1.00 10.00 H new ATOM 866 N LEU A 82 -8.721 0.064 -5.942 1.00 10.00 N ATOM 867 CA LEU A 82 -8.961 0.949 -4.814 1.00 10.00 C ATOM 868 C LEU A 82 -8.343 2.318 -5.082 1.00 10.00 C ATOM 869 O LEU A 82 -8.954 3.352 -4.817 1.00 10.00 O ATOM 870 CB LEU A 82 -8.378 0.336 -3.533 1.00 10.00 C ATOM 871 CG LEU A 82 -8.793 1.021 -2.229 1.00 10.00 C ATOM 872 CD1 LEU A 82 -10.247 0.707 -1.899 1.00 10.00 C ATOM 873 CD2 LEU A 82 -7.881 0.590 -1.090 1.00 10.00 C ATOM 0 H LEU A 82 -7.887 -0.516 -5.850 1.00 10.00 H new ATOM 0 HA LEU A 82 -10.036 1.074 -4.681 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -8.675 -0.711 -3.484 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -7.290 0.356 -3.604 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.697 2.099 -2.359 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -10.524 1.203 -0.969 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -10.888 1.064 -2.705 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -10.370 -0.370 -1.787 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -8.189 1.086 -0.170 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -7.947 -0.490 -0.960 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -6.852 0.865 -1.323 1.00 10.00 H new ATOM 885 N PHE A 83 -7.126 2.311 -5.609 1.00 10.00 N ATOM 886 CA PHE A 83 -6.412 3.542 -5.926 1.00 10.00 C ATOM 887 C PHE A 83 -6.449 3.792 -7.430 1.00 10.00 C ATOM 888 O PHE A 83 -5.480 4.279 -8.011 1.00 10.00 O ATOM 889 CB PHE A 83 -4.948 3.456 -5.472 1.00 10.00 C ATOM 890 CG PHE A 83 -4.746 3.420 -3.980 1.00 10.00 C ATOM 891 CD1 PHE A 83 -5.795 3.653 -3.108 1.00 10.00 C ATOM 892 CD2 PHE A 83 -3.489 3.160 -3.454 1.00 10.00 C ATOM 893 CE1 PHE A 83 -5.599 3.627 -1.741 1.00 10.00 C ATOM 894 CE2 PHE A 83 -3.285 3.131 -2.087 1.00 10.00 C ATOM 895 CZ PHE A 83 -4.343 3.367 -1.228 1.00 10.00 C ATOM 0 H PHE A 83 -6.609 1.460 -5.828 1.00 10.00 H new ATOM 0 HA PHE A 83 -6.901 4.362 -5.400 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.501 2.562 -5.906 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.407 4.311 -5.876 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -6.780 3.858 -3.501 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -2.659 2.978 -4.121 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -6.428 3.810 -1.073 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -2.302 2.925 -1.691 1.00 10.00 H new ATOM 0 HZ PHE A 83 -4.188 3.348 -0.159 1.00 10.00 H new ATOM 905 N HIS A 84 -7.577 3.467 -8.054 1.00 10.00 N ATOM 906 CA HIS A 84 -7.738 3.631 -9.500 1.00 10.00 C ATOM 907 C HIS A 84 -7.666 5.102 -9.911 1.00 10.00 C ATOM 908 O HIS A 84 -7.317 5.423 -11.049 1.00 10.00 O ATOM 909 CB HIS A 84 -9.055 2.993 -9.974 1.00 10.00 C ATOM 910 CG HIS A 84 -10.302 3.689 -9.497 1.00 10.00 C ATOM 911 ND1 HIS A 84 -11.279 4.086 -10.380 1.00 10.00 N ATOM 912 CD2 HIS A 84 -10.688 4.009 -8.237 1.00 10.00 C ATOM 913 CE1 HIS A 84 -12.230 4.636 -9.644 1.00 10.00 C ATOM 914 NE2 HIS A 84 -11.912 4.612 -8.347 1.00 10.00 N ATOM 0 H HIS A 84 -8.397 3.087 -7.582 1.00 10.00 H new ATOM 0 HA HIS A 84 -6.910 3.115 -9.986 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -9.061 2.973 -11.064 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -9.082 1.957 -9.636 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -10.138 3.824 -7.326 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -13.145 5.051 -10.040 1.00 10.00 H new ATOM 0 HE2 HIS A 84 -12.477 4.976 -7.580 1.00 10.00 H new ATOM 922 N GLU A 85 -7.979 5.993 -8.978 1.00 10.00 N ATOM 923 CA GLU A 85 -7.939 7.422 -9.248 1.00 10.00 C ATOM 924 C GLU A 85 -6.582 8.009 -8.872 1.00 10.00 C ATOM 925 O GLU A 85 -6.355 9.212 -9.023 1.00 10.00 O ATOM 926 CB GLU A 85 -9.050 8.142 -8.485 1.00 10.00 C ATOM 927 CG GLU A 85 -10.444 7.878 -9.026 1.00 10.00 C ATOM 928 CD GLU A 85 -10.705 8.585 -10.338 1.00 10.00 C ATOM 929 OE1 GLU A 85 -10.463 7.980 -11.405 1.00 10.00 O ATOM 930 OE2 GLU A 85 -11.162 9.746 -10.316 1.00 10.00 O ATOM 0 H GLU A 85 -8.263 5.750 -8.029 1.00 10.00 H new ATOM 0 HA GLU A 85 -8.094 7.567 -10.317 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -9.014 7.838 -7.439 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -8.858 9.215 -8.512 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -10.579 6.805 -9.163 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -11.182 8.201 -8.291 1.00 10.00 H new ATOM 937 N HIS A 86 -5.681 7.167 -8.383 1.00 10.00 N ATOM 938 CA HIS A 86 -4.347 7.609 -7.998 1.00 10.00 C ATOM 939 C HIS A 86 -3.286 6.626 -8.488 1.00 10.00 C ATOM 940 O HIS A 86 -2.805 5.786 -7.723 1.00 10.00 O ATOM 941 CB HIS A 86 -4.242 7.760 -6.479 1.00 10.00 C ATOM 942 CG HIS A 86 -4.759 9.069 -5.958 1.00 10.00 C ATOM 943 ND1 HIS A 86 -5.282 9.182 -4.692 1.00 10.00 N ATOM 944 CD2 HIS A 86 -4.800 10.281 -6.564 1.00 10.00 C ATOM 945 CE1 HIS A 86 -5.628 10.449 -4.554 1.00 10.00 C ATOM 946 NE2 HIS A 86 -5.357 11.152 -5.661 1.00 10.00 N ATOM 0 H HIS A 86 -5.851 6.171 -8.243 1.00 10.00 H new ATOM 0 HA HIS A 86 -4.173 8.579 -8.464 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.794 6.949 -6.005 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -3.198 7.650 -6.185 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -4.461 10.515 -7.562 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -6.073 10.865 -3.662 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -5.531 12.146 -5.806 1.00 10.00 H new ATOM 954 N PRO A 87 -2.895 6.720 -9.768 1.00 10.00 N ATOM 955 CA PRO A 87 -1.888 5.823 -10.354 1.00 10.00 C ATOM 956 C PRO A 87 -0.513 6.004 -9.722 1.00 10.00 C ATOM 957 O PRO A 87 0.289 5.066 -9.675 1.00 10.00 O ATOM 958 CB PRO A 87 -1.858 6.228 -11.832 1.00 10.00 C ATOM 959 CG PRO A 87 -2.413 7.608 -11.876 1.00 10.00 C ATOM 960 CD PRO A 87 -3.400 7.702 -10.746 1.00 10.00 C ATOM 0 HA PRO A 87 -2.138 4.774 -10.194 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -0.842 6.201 -12.226 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -2.454 5.546 -12.438 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -1.622 8.349 -11.764 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -2.898 7.802 -12.833 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -3.434 8.707 -10.325 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -4.411 7.459 -11.074 1.00 10.00 H new ATOM 968 N ASP A 88 -0.260 7.211 -9.221 1.00 10.00 N ATOM 969 CA ASP A 88 1.010 7.543 -8.587 1.00 10.00 C ATOM 970 C ASP A 88 1.295 6.611 -7.418 1.00 10.00 C ATOM 971 O ASP A 88 2.414 6.132 -7.253 1.00 10.00 O ATOM 972 CB ASP A 88 1.008 8.997 -8.094 1.00 10.00 C ATOM 973 CG ASP A 88 0.515 9.983 -9.134 1.00 10.00 C ATOM 974 OD1 ASP A 88 1.353 10.644 -9.787 1.00 10.00 O ATOM 975 OD2 ASP A 88 -0.717 10.117 -9.293 1.00 10.00 O ATOM 0 H ASP A 88 -0.927 7.982 -9.244 1.00 10.00 H new ATOM 0 HA ASP A 88 1.793 7.421 -9.335 1.00 10.00 H new ATOM 0 HB2 ASP A 88 0.380 9.071 -7.207 1.00 10.00 H new ATOM 0 HB3 ASP A 88 2.019 9.272 -7.793 1.00 10.00 H new ATOM 980 N LEU A 89 0.268 6.341 -6.622 1.00 10.00 N ATOM 981 CA LEU A 89 0.407 5.473 -5.461 1.00 10.00 C ATOM 982 C LEU A 89 0.651 4.027 -5.880 1.00 10.00 C ATOM 983 O LEU A 89 1.476 3.335 -5.289 1.00 10.00 O ATOM 984 CB LEU A 89 -0.843 5.557 -4.582 1.00 10.00 C ATOM 985 CG LEU A 89 -1.113 6.926 -3.942 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.445 6.915 -3.200 1.00 10.00 C ATOM 987 CD2 LEU A 89 0.020 7.305 -2.999 1.00 10.00 C ATOM 0 H LEU A 89 -0.672 6.712 -6.760 1.00 10.00 H new ATOM 0 HA LEU A 89 1.270 5.814 -4.890 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -1.708 5.281 -5.185 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -0.757 4.815 -3.788 1.00 10.00 H new ATOM 0 HG LEU A 89 -1.167 7.673 -4.734 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.620 7.893 -2.752 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -3.249 6.687 -3.899 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.419 6.157 -2.417 1.00 10.00 H new ATOM 0 HD21 LEU A 89 -0.187 8.278 -2.554 1.00 10.00 H new ATOM 0 HD22 LEU A 89 0.104 6.556 -2.211 1.00 10.00 H new ATOM 0 HD23 LEU A 89 0.956 7.353 -3.555 1.00 10.00 H new ATOM 999 N ILE A 90 -0.062 3.582 -6.910 1.00 10.00 N ATOM 1000 CA ILE A 90 0.073 2.213 -7.406 1.00 10.00 C ATOM 1001 C ILE A 90 1.501 1.941 -7.880 1.00 10.00 C ATOM 1002 O ILE A 90 2.112 0.929 -7.519 1.00 10.00 O ATOM 1003 CB ILE A 90 -0.908 1.936 -8.567 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -2.343 2.272 -8.149 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -0.810 0.479 -9.013 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -3.348 2.152 -9.278 1.00 10.00 C ATOM 0 H ILE A 90 -0.740 4.149 -7.419 1.00 10.00 H new ATOM 0 HA ILE A 90 -0.165 1.548 -6.576 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.635 2.574 -9.408 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -2.641 1.609 -7.337 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -2.370 3.289 -7.757 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.508 0.301 -9.831 1.00 10.00 H new ATOM 0 HG22 ILE A 90 0.205 0.269 -9.350 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -1.057 -0.175 -8.177 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -4.342 2.405 -8.909 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -3.075 2.835 -10.082 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -3.350 1.130 -9.656 1.00 10.00 H new ATOM 1018 N VAL A 91 2.032 2.856 -8.679 1.00 10.00 N ATOM 1019 CA VAL A 91 3.382 2.725 -9.203 1.00 10.00 C ATOM 1020 C VAL A 91 4.415 2.944 -8.102 1.00 10.00 C ATOM 1021 O VAL A 91 5.393 2.201 -7.996 1.00 10.00 O ATOM 1022 CB VAL A 91 3.631 3.727 -10.349 1.00 10.00 C ATOM 1023 CG1 VAL A 91 5.038 3.579 -10.911 1.00 10.00 C ATOM 1024 CG2 VAL A 91 2.600 3.537 -11.447 1.00 10.00 C ATOM 0 H VAL A 91 1.545 3.700 -8.979 1.00 10.00 H new ATOM 0 HA VAL A 91 3.485 1.712 -9.592 1.00 10.00 H new ATOM 0 HB VAL A 91 3.534 4.735 -9.945 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.185 4.298 -11.717 1.00 10.00 H new ATOM 0 HG12 VAL A 91 5.766 3.765 -10.122 1.00 10.00 H new ATOM 0 HG13 VAL A 91 5.171 2.568 -11.297 1.00 10.00 H new ATOM 0 HG21 VAL A 91 2.787 4.250 -12.249 1.00 10.00 H new ATOM 0 HG22 VAL A 91 2.669 2.523 -11.840 1.00 10.00 H new ATOM 0 HG23 VAL A 91 1.602 3.701 -11.041 1.00 10.00 H new ATOM 1034 N GLY A 92 4.173 3.953 -7.275 1.00 10.00 N ATOM 1035 CA GLY A 92 5.084 4.273 -6.190 1.00 10.00 C ATOM 1036 C GLY A 92 5.263 3.127 -5.214 1.00 10.00 C ATOM 1037 O GLY A 92 6.388 2.805 -4.831 1.00 10.00 O ATOM 0 H GLY A 92 3.356 4.560 -7.336 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.054 4.545 -6.605 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.711 5.145 -5.654 1.00 10.00 H new ATOM 1041 N PHE A 93 4.157 2.499 -4.820 1.00 10.00 N ATOM 1042 CA PHE A 93 4.199 1.385 -3.877 1.00 10.00 C ATOM 1043 C PHE A 93 4.972 0.205 -4.458 1.00 10.00 C ATOM 1044 O PHE A 93 5.667 -0.509 -3.735 1.00 10.00 O ATOM 1045 CB PHE A 93 2.783 0.943 -3.500 1.00 10.00 C ATOM 1046 CG PHE A 93 2.751 0.031 -2.307 1.00 10.00 C ATOM 1047 CD1 PHE A 93 3.017 0.524 -1.042 1.00 10.00 C ATOM 1048 CD2 PHE A 93 2.464 -1.316 -2.451 1.00 10.00 C ATOM 1049 CE1 PHE A 93 2.999 -0.308 0.060 1.00 10.00 C ATOM 1050 CE2 PHE A 93 2.443 -2.155 -1.351 1.00 10.00 C ATOM 1051 CZ PHE A 93 2.711 -1.651 -0.093 1.00 10.00 C ATOM 0 H PHE A 93 3.220 2.744 -5.140 1.00 10.00 H new ATOM 0 HA PHE A 93 4.713 1.729 -2.980 1.00 10.00 H new ATOM 0 HB2 PHE A 93 2.176 1.824 -3.293 1.00 10.00 H new ATOM 0 HB3 PHE A 93 2.328 0.436 -4.351 1.00 10.00 H new ATOM 0 HD1 PHE A 93 3.242 1.573 -0.915 1.00 10.00 H new ATOM 0 HD2 PHE A 93 2.254 -1.716 -3.432 1.00 10.00 H new ATOM 0 HE1 PHE A 93 3.210 0.091 1.041 1.00 10.00 H new ATOM 0 HE2 PHE A 93 2.217 -3.204 -1.476 1.00 10.00 H new ATOM 0 HZ PHE A 93 2.696 -2.304 0.767 1.00 10.00 H new ATOM 1061 N ASN A 94 4.863 0.015 -5.767 1.00 10.00 N ATOM 1062 CA ASN A 94 5.547 -1.087 -6.441 1.00 10.00 C ATOM 1063 C ASN A 94 7.063 -0.952 -6.318 1.00 10.00 C ATOM 1064 O ASN A 94 7.775 -1.945 -6.177 1.00 10.00 O ATOM 1065 CB ASN A 94 5.145 -1.160 -7.916 1.00 10.00 C ATOM 1066 CG ASN A 94 4.056 -2.184 -8.170 1.00 10.00 C ATOM 1067 OD1 ASN A 94 4.337 -3.363 -8.372 1.00 10.00 O ATOM 1068 ND2 ASN A 94 2.806 -1.745 -8.161 1.00 10.00 N ATOM 0 H ASN A 94 4.309 0.608 -6.385 1.00 10.00 H new ATOM 0 HA ASN A 94 5.242 -2.011 -5.950 1.00 10.00 H new ATOM 0 HB2 ASN A 94 4.801 -0.179 -8.245 1.00 10.00 H new ATOM 0 HB3 ASN A 94 6.020 -1.408 -8.516 1.00 10.00 H new ATOM 0 HD21 ASN A 94 2.036 -2.394 -8.326 1.00 10.00 H new ATOM 0 HD22 ASN A 94 2.613 -0.758 -7.989 1.00 10.00 H new ATOM 1075 N ALA A 95 7.546 0.282 -6.359 1.00 10.00 N ATOM 1076 CA ALA A 95 8.973 0.546 -6.251 1.00 10.00 C ATOM 1077 C ALA A 95 9.395 0.665 -4.788 1.00 10.00 C ATOM 1078 O ALA A 95 10.566 0.493 -4.451 1.00 10.00 O ATOM 1079 CB ALA A 95 9.328 1.813 -7.014 1.00 10.00 C ATOM 0 H ALA A 95 6.969 1.117 -6.466 1.00 10.00 H new ATOM 0 HA ALA A 95 9.514 -0.292 -6.690 1.00 10.00 H new ATOM 0 HB1 ALA A 95 10.398 2.002 -6.927 1.00 10.00 H new ATOM 0 HB2 ALA A 95 9.065 1.691 -8.065 1.00 10.00 H new ATOM 0 HB3 ALA A 95 8.776 2.655 -6.598 1.00 10.00 H new ATOM 1085 N PHE A 96 8.427 0.952 -3.927 1.00 10.00 N ATOM 1086 CA PHE A 96 8.678 1.104 -2.496 1.00 10.00 C ATOM 1087 C PHE A 96 8.842 -0.259 -1.823 1.00 10.00 C ATOM 1088 O PHE A 96 9.488 -0.369 -0.780 1.00 10.00 O ATOM 1089 CB PHE A 96 7.530 1.883 -1.846 1.00 10.00 C ATOM 1090 CG PHE A 96 7.753 2.224 -0.398 1.00 10.00 C ATOM 1091 CD1 PHE A 96 8.544 3.307 -0.040 1.00 10.00 C ATOM 1092 CD2 PHE A 96 7.172 1.464 0.608 1.00 10.00 C ATOM 1093 CE1 PHE A 96 8.750 3.626 1.290 1.00 10.00 C ATOM 1094 CE2 PHE A 96 7.376 1.778 1.939 1.00 10.00 C ATOM 1095 CZ PHE A 96 8.165 2.859 2.280 1.00 10.00 C ATOM 0 H PHE A 96 7.452 1.086 -4.196 1.00 10.00 H new ATOM 0 HA PHE A 96 9.606 1.660 -2.365 1.00 10.00 H new ATOM 0 HB2 PHE A 96 7.371 2.806 -2.404 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.615 1.297 -1.932 1.00 10.00 H new ATOM 0 HD1 PHE A 96 9.005 3.908 -0.810 1.00 10.00 H new ATOM 0 HD2 PHE A 96 6.553 0.618 0.348 1.00 10.00 H new ATOM 0 HE1 PHE A 96 9.367 4.472 1.554 1.00 10.00 H new ATOM 0 HE2 PHE A 96 6.918 1.178 2.712 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.325 3.105 3.319 1.00 10.00 H new ATOM 1105 N LEU A 97 8.251 -1.286 -2.428 1.00 10.00 N ATOM 1106 CA LEU A 97 8.315 -2.649 -1.903 1.00 10.00 C ATOM 1107 C LEU A 97 9.751 -3.094 -1.627 1.00 10.00 C ATOM 1108 O LEU A 97 10.614 -3.033 -2.508 1.00 10.00 O ATOM 1109 CB LEU A 97 7.669 -3.621 -2.893 1.00 10.00 C ATOM 1110 CG LEU A 97 6.145 -3.574 -2.958 1.00 10.00 C ATOM 1111 CD1 LEU A 97 5.643 -4.313 -4.191 1.00 10.00 C ATOM 1112 CD2 LEU A 97 5.540 -4.178 -1.701 1.00 10.00 C ATOM 0 H LEU A 97 7.716 -1.199 -3.292 1.00 10.00 H new ATOM 0 HA LEU A 97 7.773 -2.656 -0.958 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.064 -3.416 -3.888 1.00 10.00 H new ATOM 0 HB3 LEU A 97 7.973 -4.635 -2.632 1.00 10.00 H new ATOM 0 HG LEU A 97 5.836 -2.531 -3.026 1.00 10.00 H new ATOM 0 HD11 LEU A 97 4.554 -4.270 -4.223 1.00 10.00 H new ATOM 0 HD12 LEU A 97 6.051 -3.845 -5.087 1.00 10.00 H new ATOM 0 HD13 LEU A 97 5.964 -5.354 -4.147 1.00 10.00 H new ATOM 0 HD21 LEU A 97 4.453 -4.136 -1.764 1.00 10.00 H new ATOM 0 HD22 LEU A 97 5.858 -5.216 -1.607 1.00 10.00 H new ATOM 0 HD23 LEU A 97 5.875 -3.615 -0.830 1.00 10.00 H new ATOM 1124 N PRO A 98 10.029 -3.544 -0.392 1.00 10.00 N ATOM 1125 CA PRO A 98 11.358 -4.023 -0.008 1.00 10.00 C ATOM 1126 C PRO A 98 11.715 -5.321 -0.725 1.00 10.00 C ATOM 1127 O PRO A 98 12.882 -5.593 -1.004 1.00 10.00 O ATOM 1128 CB PRO A 98 11.235 -4.264 1.501 1.00 10.00 C ATOM 1129 CG PRO A 98 9.780 -4.429 1.763 1.00 10.00 C ATOM 1130 CD PRO A 98 9.069 -3.604 0.729 1.00 10.00 C ATOM 0 HA PRO A 98 12.143 -3.314 -0.270 1.00 10.00 H new ATOM 0 HB2 PRO A 98 11.791 -5.152 1.803 1.00 10.00 H new ATOM 0 HB3 PRO A 98 11.642 -3.426 2.066 1.00 10.00 H new ATOM 0 HG2 PRO A 98 9.489 -5.477 1.692 1.00 10.00 H new ATOM 0 HG3 PRO A 98 9.526 -4.095 2.769 1.00 10.00 H new ATOM 0 HD2 PRO A 98 8.129 -4.065 0.427 1.00 10.00 H new ATOM 0 HD3 PRO A 98 8.830 -2.609 1.105 1.00 10.00 H new ATOM 1138 N SER A 99 10.693 -6.114 -1.020 1.00 10.00 N ATOM 1139 CA SER A 99 10.871 -7.386 -1.701 1.00 10.00 C ATOM 1140 C SER A 99 11.117 -7.165 -3.188 1.00 10.00 C ATOM 1141 O SER A 99 10.591 -6.219 -3.783 1.00 10.00 O ATOM 1142 CB SER A 99 9.630 -8.251 -1.493 1.00 10.00 C ATOM 1143 OG SER A 99 9.066 -8.001 -0.218 1.00 10.00 O ATOM 0 H SER A 99 9.723 -5.894 -0.795 1.00 10.00 H new ATOM 0 HA SER A 99 11.740 -7.895 -1.284 1.00 10.00 H new ATOM 0 HB2 SER A 99 8.896 -8.040 -2.271 1.00 10.00 H new ATOM 0 HB3 SER A 99 9.894 -9.305 -1.582 1.00 10.00 H new ATOM 0 HG SER A 99 8.270 -8.560 -0.097 1.00 10.00 H new ATOM 1149 N GLY A 100 11.933 -8.019 -3.778 1.00 10.00 N ATOM 1150 CA GLY A 100 12.229 -7.905 -5.184 1.00 10.00 C ATOM 1151 C GLY A 100 13.339 -8.844 -5.607 1.00 10.00 C ATOM 1152 O GLY A 100 13.740 -9.716 -4.835 1.00 10.00 O ATOM 0 H GLY A 100 12.398 -8.793 -3.304 1.00 10.00 H new ATOM 0 HA2 GLY A 100 11.331 -8.121 -5.762 1.00 10.00 H new ATOM 0 HA3 GLY A 100 12.516 -6.878 -5.412 1.00 10.00 H new ATOM 1156 N PRO A 101 13.863 -8.681 -6.829 1.00 10.00 N ATOM 1157 CA PRO A 101 14.942 -9.520 -7.368 1.00 10.00 C ATOM 1158 C PRO A 101 16.310 -9.206 -6.757 1.00 10.00 C ATOM 1159 O PRO A 101 17.343 -9.605 -7.292 1.00 10.00 O ATOM 1160 CB PRO A 101 14.948 -9.182 -8.869 1.00 10.00 C ATOM 1161 CG PRO A 101 13.731 -8.353 -9.113 1.00 10.00 C ATOM 1162 CD PRO A 101 13.426 -7.679 -7.811 1.00 10.00 C ATOM 0 HA PRO A 101 14.769 -10.573 -7.146 1.00 10.00 H new ATOM 0 HB2 PRO A 101 15.852 -8.637 -9.142 1.00 10.00 H new ATOM 0 HB3 PRO A 101 14.929 -10.089 -9.473 1.00 10.00 H new ATOM 0 HG2 PRO A 101 13.909 -7.620 -9.900 1.00 10.00 H new ATOM 0 HG3 PRO A 101 12.895 -8.973 -9.437 1.00 10.00 H new ATOM 0 HD2 PRO A 101 13.969 -6.740 -7.702 1.00 10.00 H new ATOM 0 HD3 PRO A 101 12.365 -7.448 -7.712 1.00 10.00 H new ATOM 1170 N SER A 102 16.307 -8.495 -5.637 1.00 10.00 N ATOM 1171 CA SER A 102 17.535 -8.134 -4.945 1.00 10.00 C ATOM 1172 C SER A 102 18.182 -9.366 -4.315 1.00 10.00 C ATOM 1173 O SER A 102 17.665 -10.481 -4.423 1.00 10.00 O ATOM 1174 CB SER A 102 17.227 -7.091 -3.873 1.00 10.00 C ATOM 1175 OG SER A 102 15.865 -6.689 -3.940 1.00 10.00 O ATOM 0 H SER A 102 15.458 -8.154 -5.186 1.00 10.00 H new ATOM 0 HA SER A 102 18.237 -7.715 -5.666 1.00 10.00 H new ATOM 0 HB2 SER A 102 17.442 -7.502 -2.886 1.00 10.00 H new ATOM 0 HB3 SER A 102 17.874 -6.224 -4.005 1.00 10.00 H new ATOM 0 HG SER A 102 15.686 -6.022 -3.245 1.00 10.00 H new ATOM 1181 N SER A 103 19.315 -9.170 -3.661 1.00 10.00 N ATOM 1182 CA SER A 103 20.013 -10.269 -3.030 1.00 10.00 C ATOM 1183 C SER A 103 19.335 -10.625 -1.711 1.00 10.00 C ATOM 1184 O SER A 103 19.270 -9.807 -0.792 1.00 10.00 O ATOM 1185 CB SER A 103 21.479 -9.898 -2.799 1.00 10.00 C ATOM 1186 OG SER A 103 22.266 -11.043 -2.518 1.00 10.00 O ATOM 0 H SER A 103 19.767 -8.262 -3.555 1.00 10.00 H new ATOM 0 HA SER A 103 19.978 -11.139 -3.686 1.00 10.00 H new ATOM 0 HB2 SER A 103 21.871 -9.393 -3.682 1.00 10.00 H new ATOM 0 HB3 SER A 103 21.551 -9.193 -1.971 1.00 10.00 H new ATOM 0 HG SER A 103 23.197 -10.773 -2.377 1.00 10.00 H new ATOM 1192 N GLY A 104 18.815 -11.841 -1.638 1.00 10.00 N ATOM 1193 CA GLY A 104 18.148 -12.296 -0.429 1.00 10.00 C ATOM 1194 C GLY A 104 16.642 -12.343 -0.585 1.00 10.00 C ATOM 1195 O GLY A 104 16.119 -12.209 -1.695 1.00 10.00 O ATOM 0 H GLY A 104 18.842 -12.525 -2.395 1.00 10.00 H new ATOM 0 HA2 GLY A 104 18.515 -13.288 -0.166 1.00 10.00 H new ATOM 0 HA3 GLY A 104 18.405 -11.632 0.397 1.00 10.00 H new