USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 734 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 37 THR OG1 : rot 110:sc= 0.131 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -157:sc= 0 (180deg=-0.58) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 131:sc= 0.24 USER MOD Single : A 19 GLN : amide:sc= -0.697 K(o=-0.7,f=-4.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -99:sc= 0.0254 (180deg=-0.782) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.049 USER MOD Single : A 50 SER OG : rot -134:sc= 1.27 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 67 SER OG : rot 180:sc= -0.256 USER MOD Single : A 68 THR OG1 : rot 34:sc= 0.795 USER MOD Single : A 71 LYS NZ :NH3+ -101:sc= 1.18 (180deg=-0.049) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 93 MET CE :methyl 178:sc= -1.52 (180deg=-1.54) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= -0.0283 (180deg=-0.0956) USER MOD Single : A 102 ASN : amide:sc= 0.0189 K(o=0.019,f=-3.7!) USER MOD Single : A 104 LYS NZ :NH3+ -120:sc= -0.145 (180deg=-1.23) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN :FLIP amide:sc= -0.0933 F(o=-0.62,f=-0.093) USER MOD Single : A 127 TYR OH : rot 72:sc= 0.669 USER MOD Single : A 128 TYR OH : rot 30:sc= -0.0751 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 -19.320 -2.329 -0.554 1.00 0.00 N ATOM 110 CA GLY A 10 -17.946 -2.058 -0.180 1.00 0.00 C ATOM 111 C GLY A 10 -17.747 -2.156 1.332 1.00 0.00 C ATOM 112 O GLY A 10 -18.714 -2.233 2.098 1.00 0.00 O ATOM 0 HA2 GLY A 10 -17.285 -2.765 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.665 -1.062 -0.521 1.00 0.00 H new ATOM 116 N ALA A 11 -16.494 -2.076 1.772 1.00 0.00 N ATOM 117 CA ALA A 11 -16.071 -2.172 3.167 1.00 0.00 C ATOM 118 C ALA A 11 -15.156 -1.005 3.502 1.00 0.00 C ATOM 119 O ALA A 11 -14.558 -0.403 2.613 1.00 0.00 O ATOM 120 CB ALA A 11 -15.358 -3.500 3.378 1.00 0.00 C ATOM 0 H ALA A 11 -15.709 -1.936 1.136 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.937 -2.129 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.039 -3.580 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.038 -4.319 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.487 -3.553 2.725 1.00 0.00 H new ATOM 126 N MET A 12 -15.059 -0.675 4.785 1.00 0.00 N ATOM 127 CA MET A 12 -14.067 0.280 5.255 1.00 0.00 C ATOM 128 C MET A 12 -12.716 -0.430 5.380 1.00 0.00 C ATOM 129 O MET A 12 -12.679 -1.648 5.568 1.00 0.00 O ATOM 130 CB MET A 12 -14.481 0.876 6.605 1.00 0.00 C ATOM 131 CG MET A 12 -15.713 1.757 6.418 1.00 0.00 C ATOM 132 SD MET A 12 -16.346 2.607 7.878 1.00 0.00 S ATOM 133 CE MET A 12 -17.076 1.204 8.750 1.00 0.00 C ATOM 0 H MET A 12 -15.657 -1.056 5.518 1.00 0.00 H new ATOM 0 HA MET A 12 -13.989 1.098 4.539 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.696 0.078 7.316 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.662 1.462 7.022 1.00 0.00 H new ATOM 0 HG2 MET A 12 -15.480 2.509 5.664 1.00 0.00 H new ATOM 0 HG3 MET A 12 -16.514 1.137 6.014 1.00 0.00 H new ATOM 0 HE1 MET A 12 -17.844 1.562 9.436 1.00 0.00 H new ATOM 0 HE2 MET A 12 -17.524 0.520 8.029 1.00 0.00 H new ATOM 0 HE3 MET A 12 -16.302 0.682 9.312 1.00 0.00 H new ATOM 143 N TYR A 13 -11.609 0.305 5.324 1.00 0.00 N ATOM 144 CA TYR A 13 -10.283 -0.160 5.708 1.00 0.00 C ATOM 145 C TYR A 13 -9.455 1.011 6.229 1.00 0.00 C ATOM 146 O TYR A 13 -9.834 2.182 6.118 1.00 0.00 O ATOM 147 CB TYR A 13 -9.561 -0.848 4.536 1.00 0.00 C ATOM 148 CG TYR A 13 -9.268 0.025 3.333 1.00 0.00 C ATOM 149 CD1 TYR A 13 -8.104 0.821 3.285 1.00 0.00 C ATOM 150 CD2 TYR A 13 -10.141 -0.001 2.234 1.00 0.00 C ATOM 151 CE1 TYR A 13 -7.799 1.567 2.133 1.00 0.00 C ATOM 152 CE2 TYR A 13 -9.844 0.754 1.091 1.00 0.00 C ATOM 153 CZ TYR A 13 -8.667 1.527 1.022 1.00 0.00 C ATOM 154 OH TYR A 13 -8.378 2.206 -0.120 1.00 0.00 O ATOM 0 H TYR A 13 -11.612 1.272 4.999 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.401 -0.900 6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.619 -1.254 4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.166 -1.693 4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.443 0.857 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.038 -0.601 2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.903 2.169 2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.525 0.743 0.253 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.090 2.059 -0.777 1.00 0.00 H new ATOM 164 N GLU A 14 -8.294 0.673 6.767 1.00 0.00 N ATOM 165 CA GLU A 14 -7.201 1.549 7.145 1.00 0.00 C ATOM 166 C GLU A 14 -5.963 0.806 6.660 1.00 0.00 C ATOM 167 O GLU A 14 -5.894 -0.412 6.830 1.00 0.00 O ATOM 168 CB GLU A 14 -7.238 1.713 8.664 1.00 0.00 C ATOM 169 CG GLU A 14 -6.082 2.538 9.228 1.00 0.00 C ATOM 170 CD GLU A 14 -6.155 2.651 10.754 1.00 0.00 C ATOM 171 OE1 GLU A 14 -6.704 1.746 11.432 1.00 0.00 O ATOM 172 OE2 GLU A 14 -5.644 3.653 11.303 1.00 0.00 O ATOM 0 H GLU A 14 -8.076 -0.303 6.966 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.237 2.553 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.179 2.185 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.226 0.726 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.135 2.080 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.099 3.535 8.788 1.00 0.00 H new ATOM 179 N VAL A 15 -5.052 1.466 5.956 1.00 0.00 N ATOM 180 CA VAL A 15 -3.916 0.821 5.311 1.00 0.00 C ATOM 181 C VAL A 15 -2.654 1.468 5.857 1.00 0.00 C ATOM 182 O VAL A 15 -2.489 2.695 5.806 1.00 0.00 O ATOM 183 CB VAL A 15 -4.094 0.846 3.778 1.00 0.00 C ATOM 184 CG1 VAL A 15 -4.049 2.249 3.168 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.103 -0.059 3.046 1.00 0.00 C ATOM 0 H VAL A 15 -5.082 2.476 5.815 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.838 -0.242 5.541 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.101 0.454 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.181 2.181 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.847 2.857 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.086 2.710 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.279 0.002 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.085 0.263 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.237 -1.089 3.377 1.00 0.00 H new ATOM 195 N THR A 16 -1.796 0.630 6.425 1.00 0.00 N ATOM 196 CA THR A 16 -0.677 1.062 7.225 1.00 0.00 C ATOM 197 C THR A 16 0.563 0.428 6.612 1.00 0.00 C ATOM 198 O THR A 16 0.604 -0.775 6.325 1.00 0.00 O ATOM 199 CB THR A 16 -0.928 0.708 8.700 1.00 0.00 C ATOM 200 OG1 THR A 16 -2.297 0.910 9.024 1.00 0.00 O ATOM 201 CG2 THR A 16 -0.071 1.598 9.593 1.00 0.00 C ATOM 0 H THR A 16 -1.867 -0.384 6.336 1.00 0.00 H new ATOM 0 HA THR A 16 -0.535 2.143 7.223 1.00 0.00 H new ATOM 0 HB THR A 16 -0.668 -0.338 8.859 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.643 0.120 9.489 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.250 1.345 10.638 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.982 1.443 9.358 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.331 2.643 9.422 1.00 0.00 H new ATOM 209 N ILE A 17 1.520 1.283 6.297 1.00 0.00 N ATOM 210 CA ILE A 17 2.740 0.998 5.584 1.00 0.00 C ATOM 211 C ILE A 17 3.839 1.666 6.413 1.00 0.00 C ATOM 212 O ILE A 17 3.570 2.612 7.164 1.00 0.00 O ATOM 213 CB ILE A 17 2.576 1.544 4.139 1.00 0.00 C ATOM 214 CG1 ILE A 17 3.745 1.167 3.207 1.00 0.00 C ATOM 215 CG2 ILE A 17 2.349 3.074 4.104 1.00 0.00 C ATOM 216 CD1 ILE A 17 3.708 -0.277 2.710 1.00 0.00 C ATOM 0 H ILE A 17 1.453 2.267 6.555 1.00 0.00 H new ATOM 0 HA ILE A 17 2.990 -0.057 5.470 1.00 0.00 H new ATOM 0 HB ILE A 17 1.680 1.053 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.739 1.836 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.684 1.334 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.241 3.402 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.444 3.320 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.202 3.579 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.564 -0.460 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.746 -0.956 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.787 -0.446 2.152 1.00 0.00 H new ATOM 228 N GLU A 18 5.070 1.189 6.286 1.00 0.00 N ATOM 229 CA GLU A 18 6.230 1.862 6.828 1.00 0.00 C ATOM 230 C GLU A 18 7.349 1.758 5.803 1.00 0.00 C ATOM 231 O GLU A 18 7.732 0.644 5.422 1.00 0.00 O ATOM 232 CB GLU A 18 6.689 1.181 8.120 1.00 0.00 C ATOM 233 CG GLU A 18 5.915 1.544 9.387 1.00 0.00 C ATOM 234 CD GLU A 18 6.498 0.722 10.535 1.00 0.00 C ATOM 235 OE1 GLU A 18 7.708 0.880 10.820 1.00 0.00 O ATOM 236 OE2 GLU A 18 5.782 -0.150 11.078 1.00 0.00 O ATOM 0 H GLU A 18 5.287 0.319 5.800 1.00 0.00 H new ATOM 0 HA GLU A 18 5.982 2.901 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.628 0.102 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.740 1.422 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.002 2.610 9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.854 1.329 9.262 1.00 0.00 H new ATOM 243 N GLN A 19 7.918 2.893 5.403 1.00 0.00 N ATOM 244 CA GLN A 19 9.115 2.949 4.591 1.00 0.00 C ATOM 245 C GLN A 19 10.189 3.681 5.414 1.00 0.00 C ATOM 246 O GLN A 19 9.895 4.635 6.139 1.00 0.00 O ATOM 247 CB GLN A 19 8.815 3.619 3.231 1.00 0.00 C ATOM 248 CG GLN A 19 7.527 3.132 2.520 1.00 0.00 C ATOM 249 CD GLN A 19 6.264 3.941 2.840 1.00 0.00 C ATOM 250 OE1 GLN A 19 5.546 3.655 3.791 1.00 0.00 O ATOM 251 NE2 GLN A 19 5.923 4.919 2.017 1.00 0.00 N ATOM 0 H GLN A 19 7.547 3.813 5.643 1.00 0.00 H new ATOM 0 HA GLN A 19 9.484 1.954 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.740 4.696 3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.663 3.450 2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.693 3.157 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.352 2.091 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.524 5.153 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.059 5.439 2.173 1.00 0.00 H new ATOM 260 N SER A 20 11.439 3.222 5.352 1.00 0.00 N ATOM 261 CA SER A 20 12.626 3.930 5.821 1.00 0.00 C ATOM 262 C SER A 20 13.848 3.278 5.163 1.00 0.00 C ATOM 263 O SER A 20 13.817 2.085 4.852 1.00 0.00 O ATOM 264 CB SER A 20 12.713 3.916 7.358 1.00 0.00 C ATOM 265 OG SER A 20 12.555 2.613 7.905 1.00 0.00 O ATOM 0 H SER A 20 11.659 2.308 4.957 1.00 0.00 H new ATOM 0 HA SER A 20 12.580 4.981 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.677 4.321 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.945 4.573 7.767 1.00 0.00 H new ATOM 0 HG SER A 20 12.620 2.658 8.882 1.00 0.00 H new ATOM 271 N GLY A 21 14.903 4.050 4.922 1.00 0.00 N ATOM 272 CA GLY A 21 16.061 3.662 4.124 1.00 0.00 C ATOM 273 C GLY A 21 16.130 4.590 2.922 1.00 0.00 C ATOM 274 O GLY A 21 16.246 5.801 3.107 1.00 0.00 O ATOM 0 H GLY A 21 14.978 4.998 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.974 3.735 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.972 2.625 3.801 1.00 0.00 H new ATOM 278 N ASP A 22 16.028 4.061 1.702 1.00 0.00 N ATOM 279 CA ASP A 22 16.124 4.819 0.451 1.00 0.00 C ATOM 280 C ASP A 22 15.033 4.400 -0.538 1.00 0.00 C ATOM 281 O ASP A 22 15.277 3.930 -1.647 1.00 0.00 O ATOM 282 CB ASP A 22 17.532 4.735 -0.140 1.00 0.00 C ATOM 283 CG ASP A 22 17.972 3.359 -0.636 1.00 0.00 C ATOM 284 OD1 ASP A 22 17.497 2.328 -0.103 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.910 3.348 -1.466 1.00 0.00 O ATOM 0 H ASP A 22 15.872 3.064 1.551 1.00 0.00 H new ATOM 0 HA ASP A 22 15.947 5.871 0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.597 5.436 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.242 5.070 0.616 1.00 0.00 H new ATOM 290 N PHE A 23 13.775 4.617 -0.148 1.00 0.00 N ATOM 291 CA PHE A 23 12.606 4.211 -0.935 1.00 0.00 C ATOM 292 C PHE A 23 12.589 4.856 -2.321 1.00 0.00 C ATOM 293 O PHE A 23 12.043 4.263 -3.246 1.00 0.00 O ATOM 294 CB PHE A 23 11.278 4.495 -0.198 1.00 0.00 C ATOM 295 CG PHE A 23 11.216 5.796 0.582 1.00 0.00 C ATOM 296 CD1 PHE A 23 11.114 7.018 -0.104 1.00 0.00 C ATOM 297 CD2 PHE A 23 11.287 5.794 1.990 1.00 0.00 C ATOM 298 CE1 PHE A 23 11.149 8.229 0.603 1.00 0.00 C ATOM 299 CE2 PHE A 23 11.261 7.006 2.701 1.00 0.00 C ATOM 300 CZ PHE A 23 11.205 8.228 2.008 1.00 0.00 C ATOM 0 H PHE A 23 13.536 5.082 0.728 1.00 0.00 H new ATOM 0 HA PHE A 23 12.696 3.133 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.471 4.495 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 23 11.084 3.672 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 23 11.008 7.025 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 23 11.362 4.858 2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.133 9.166 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.284 6.999 3.781 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.205 9.161 2.552 1.00 0.00 H new ATOM 310 N ARG A 24 13.178 6.045 -2.478 1.00 0.00 N ATOM 311 CA ARG A 24 13.104 6.814 -3.719 1.00 0.00 C ATOM 312 C ARG A 24 13.900 6.132 -4.841 1.00 0.00 C ATOM 313 O ARG A 24 13.573 6.307 -6.013 1.00 0.00 O ATOM 314 CB ARG A 24 13.561 8.274 -3.506 1.00 0.00 C ATOM 315 CG ARG A 24 13.079 8.942 -2.210 1.00 0.00 C ATOM 316 CD ARG A 24 13.786 10.283 -1.955 1.00 0.00 C ATOM 317 NE ARG A 24 14.177 10.404 -0.539 1.00 0.00 N ATOM 318 CZ ARG A 24 15.167 9.725 0.058 1.00 0.00 C ATOM 319 NH1 ARG A 24 16.017 8.984 -0.648 1.00 0.00 N ATOM 320 NH2 ARG A 24 15.301 9.775 1.378 1.00 0.00 N ATOM 0 H ARG A 24 13.721 6.501 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 24 12.059 6.844 -4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.651 8.300 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.215 8.870 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.003 9.105 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.258 8.272 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.669 10.361 -2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.125 11.106 -2.227 1.00 0.00 H new ATOM 0 HE ARG A 24 13.649 11.061 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.922 8.925 -1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.764 8.475 -0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.651 10.329 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.053 9.259 1.834 1.00 0.00 H new ATOM 334 N SER A 25 14.898 5.312 -4.494 1.00 0.00 N ATOM 335 CA SER A 25 15.679 4.526 -5.443 1.00 0.00 C ATOM 336 C SER A 25 14.876 3.382 -6.068 1.00 0.00 C ATOM 337 O SER A 25 15.320 2.781 -7.048 1.00 0.00 O ATOM 338 CB SER A 25 16.905 3.977 -4.704 1.00 0.00 C ATOM 339 OG SER A 25 17.647 5.062 -4.172 1.00 0.00 O ATOM 0 H SER A 25 15.188 5.177 -3.525 1.00 0.00 H new ATOM 0 HA SER A 25 15.976 5.172 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.593 3.306 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.525 3.394 -5.385 1.00 0.00 H new ATOM 0 HG SER A 25 18.432 4.719 -3.696 1.00 0.00 H new ATOM 345 N PHE A 26 13.698 3.075 -5.525 1.00 0.00 N ATOM 346 CA PHE A 26 12.844 1.977 -5.927 1.00 0.00 C ATOM 347 C PHE A 26 11.563 2.597 -6.463 1.00 0.00 C ATOM 348 O PHE A 26 10.815 3.209 -5.703 1.00 0.00 O ATOM 349 CB PHE A 26 12.575 1.099 -4.701 1.00 0.00 C ATOM 350 CG PHE A 26 13.778 0.393 -4.116 1.00 0.00 C ATOM 351 CD1 PHE A 26 14.259 -0.788 -4.709 1.00 0.00 C ATOM 352 CD2 PHE A 26 14.394 0.894 -2.956 1.00 0.00 C ATOM 353 CE1 PHE A 26 15.334 -1.482 -4.128 1.00 0.00 C ATOM 354 CE2 PHE A 26 15.472 0.206 -2.379 1.00 0.00 C ATOM 355 CZ PHE A 26 15.938 -0.988 -2.960 1.00 0.00 C ATOM 0 H PHE A 26 13.302 3.616 -4.757 1.00 0.00 H new ATOM 0 HA PHE A 26 13.297 1.350 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.130 1.720 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.834 0.348 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.801 -1.162 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.037 1.810 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.695 -2.394 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.945 0.593 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.759 -1.524 -2.508 1.00 0.00 H new ATOM 365 N ILE A 27 11.307 2.478 -7.763 1.00 0.00 N ATOM 366 CA ILE A 27 10.149 3.095 -8.400 1.00 0.00 C ATOM 367 C ILE A 27 8.923 2.266 -8.019 1.00 0.00 C ATOM 368 O ILE A 27 8.625 1.246 -8.641 1.00 0.00 O ATOM 369 CB ILE A 27 10.405 3.220 -9.917 1.00 0.00 C ATOM 370 CG1 ILE A 27 11.692 4.024 -10.205 1.00 0.00 C ATOM 371 CG2 ILE A 27 9.239 3.837 -10.702 1.00 0.00 C ATOM 372 CD1 ILE A 27 11.787 5.424 -9.577 1.00 0.00 C ATOM 0 H ILE A 27 11.898 1.950 -8.405 1.00 0.00 H new ATOM 0 HA ILE A 27 9.968 4.114 -8.058 1.00 0.00 H new ATOM 0 HB ILE A 27 10.518 2.193 -10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.544 3.438 -9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.794 4.128 -11.285 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.499 3.889 -11.759 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.349 3.220 -10.577 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.039 4.841 -10.328 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.736 5.883 -9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.965 6.042 -9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.727 5.341 -8.492 1.00 0.00 H new ATOM 384 N LYS A 28 8.253 2.658 -6.937 1.00 0.00 N ATOM 385 CA LYS A 28 7.013 2.057 -6.473 1.00 0.00 C ATOM 386 C LYS A 28 5.852 2.952 -6.899 1.00 0.00 C ATOM 387 O LYS A 28 6.050 4.045 -7.418 1.00 0.00 O ATOM 388 CB LYS A 28 7.098 1.837 -4.947 1.00 0.00 C ATOM 389 CG LYS A 28 7.919 0.596 -4.547 1.00 0.00 C ATOM 390 CD LYS A 28 9.061 0.903 -3.562 1.00 0.00 C ATOM 391 CE LYS A 28 9.628 -0.423 -3.029 1.00 0.00 C ATOM 392 NZ LYS A 28 10.833 -0.294 -2.179 1.00 0.00 N ATOM 0 H LYS A 28 8.571 3.425 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 28 6.845 1.077 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.541 2.719 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.089 1.740 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.253 -0.141 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.338 0.143 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.844 1.475 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.694 1.515 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.851 -0.928 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.867 -1.065 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.681 -0.491 -2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.888 0.673 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.777 -0.972 -1.393 1.00 0.00 H new ATOM 406 N SER A 29 4.627 2.497 -6.688 1.00 0.00 N ATOM 407 CA SER A 29 3.405 3.275 -6.865 1.00 0.00 C ATOM 408 C SER A 29 2.443 2.881 -5.748 1.00 0.00 C ATOM 409 O SER A 29 2.764 2.005 -4.935 1.00 0.00 O ATOM 410 CB SER A 29 2.838 3.058 -8.280 1.00 0.00 C ATOM 411 OG SER A 29 3.007 1.725 -8.734 1.00 0.00 O ATOM 0 H SER A 29 4.447 1.542 -6.378 1.00 0.00 H new ATOM 0 HA SER A 29 3.590 4.346 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.777 3.309 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.330 3.740 -8.974 1.00 0.00 H new ATOM 0 HG SER A 29 2.631 1.636 -9.634 1.00 0.00 H new ATOM 417 N VAL A 30 1.300 3.557 -5.643 1.00 0.00 N ATOM 418 CA VAL A 30 0.330 3.333 -4.585 1.00 0.00 C ATOM 419 C VAL A 30 -1.052 3.368 -5.232 1.00 0.00 C ATOM 420 O VAL A 30 -1.645 4.430 -5.431 1.00 0.00 O ATOM 421 CB VAL A 30 0.503 4.354 -3.439 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.256 3.881 -2.201 1.00 0.00 C ATOM 423 CG2 VAL A 30 1.953 4.597 -3.009 1.00 0.00 C ATOM 0 H VAL A 30 1.023 4.285 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 30 0.476 2.363 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 30 0.114 5.289 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.129 4.606 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.315 3.784 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.134 2.914 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.975 5.328 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.392 3.661 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.525 4.976 -3.856 1.00 0.00 H new ATOM 433 N VAL A 31 -1.562 2.198 -5.613 1.00 0.00 N ATOM 434 CA VAL A 31 -2.947 2.049 -6.035 1.00 0.00 C ATOM 435 C VAL A 31 -3.715 1.706 -4.761 1.00 0.00 C ATOM 436 O VAL A 31 -3.839 0.533 -4.396 1.00 0.00 O ATOM 437 CB VAL A 31 -3.089 0.975 -7.129 1.00 0.00 C ATOM 438 CG1 VAL A 31 -4.522 0.938 -7.675 1.00 0.00 C ATOM 439 CG2 VAL A 31 -2.112 1.167 -8.304 1.00 0.00 C ATOM 0 H VAL A 31 -1.025 1.331 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.341 2.956 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.843 0.030 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.598 0.172 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.214 0.707 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.774 1.909 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.266 0.376 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.290 2.136 -8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.087 1.125 -7.935 1.00 0.00 H new ATOM 449 N VAL A 32 -4.150 2.729 -4.028 1.00 0.00 N ATOM 450 CA VAL A 32 -4.865 2.570 -2.771 1.00 0.00 C ATOM 451 C VAL A 32 -5.944 3.650 -2.746 1.00 0.00 C ATOM 452 O VAL A 32 -5.700 4.761 -2.271 1.00 0.00 O ATOM 453 CB VAL A 32 -3.878 2.697 -1.586 1.00 0.00 C ATOM 454 CG1 VAL A 32 -4.547 2.756 -0.209 1.00 0.00 C ATOM 455 CG2 VAL A 32 -2.849 1.556 -1.531 1.00 0.00 C ATOM 0 H VAL A 32 -4.012 3.703 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.327 1.587 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.387 3.649 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.783 2.845 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.211 3.619 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.124 1.846 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.187 1.704 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.368 0.603 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.262 1.551 -2.449 1.00 0.00 H new ATOM 465 N VAL A 33 -7.130 3.370 -3.284 1.00 0.00 N ATOM 466 CA VAL A 33 -8.242 4.301 -3.133 1.00 0.00 C ATOM 467 C VAL A 33 -9.574 3.600 -3.298 1.00 0.00 C ATOM 468 O VAL A 33 -9.693 2.575 -3.973 1.00 0.00 O ATOM 469 CB VAL A 33 -8.117 5.483 -4.110 1.00 0.00 C ATOM 470 CG1 VAL A 33 -8.345 5.020 -5.560 1.00 0.00 C ATOM 471 CG2 VAL A 33 -9.071 6.615 -3.677 1.00 0.00 C ATOM 0 H VAL A 33 -7.342 2.526 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.199 4.700 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.104 5.884 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.252 5.872 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.602 4.267 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.343 4.592 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.981 7.452 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.097 6.248 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.810 6.947 -2.672 1.00 0.00 H new ATOM 481 N ALA A 34 -10.599 4.176 -2.683 1.00 0.00 N ATOM 482 CA ALA A 34 -11.939 3.655 -2.736 1.00 0.00 C ATOM 483 C ALA A 34 -12.540 3.981 -4.095 1.00 0.00 C ATOM 484 O ALA A 34 -12.608 5.143 -4.482 1.00 0.00 O ATOM 485 CB ALA A 34 -12.748 4.296 -1.624 1.00 0.00 C ATOM 0 H ALA A 34 -10.511 5.028 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.942 2.573 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.768 3.913 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.295 4.060 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.763 5.377 -1.762 1.00 0.00 H new ATOM 491 N ASN A 35 -13.058 2.955 -4.765 1.00 0.00 N ATOM 492 CA ASN A 35 -13.708 3.044 -6.078 1.00 0.00 C ATOM 493 C ASN A 35 -15.149 3.581 -5.968 1.00 0.00 C ATOM 494 O ASN A 35 -16.019 3.223 -6.763 1.00 0.00 O ATOM 495 CB ASN A 35 -13.620 1.666 -6.768 1.00 0.00 C ATOM 496 CG ASN A 35 -12.834 1.743 -8.068 1.00 0.00 C ATOM 497 OD1 ASN A 35 -13.385 1.980 -9.142 1.00 0.00 O ATOM 498 ND2 ASN A 35 -11.536 1.498 -7.988 1.00 0.00 N ATOM 0 H ASN A 35 -13.038 2.003 -4.399 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.186 3.770 -6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.145 0.951 -6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.625 1.294 -6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.963 1.502 -8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.108 1.305 -7.082 1.00 0.00 H new ATOM 505 N GLY A 36 -15.437 4.358 -4.920 1.00 0.00 N ATOM 506 CA GLY A 36 -16.734 4.942 -4.623 1.00 0.00 C ATOM 507 C GLY A 36 -16.591 6.017 -3.551 1.00 0.00 C ATOM 508 O GLY A 36 -16.696 7.201 -3.878 1.00 0.00 O ATOM 0 H GLY A 36 -14.732 4.605 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.163 5.374 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -17.421 4.167 -4.283 1.00 0.00 H new ATOM 512 N THR A 37 -16.343 5.630 -2.291 1.00 0.00 N ATOM 513 CA THR A 37 -16.203 6.594 -1.193 1.00 0.00 C ATOM 514 C THR A 37 -14.920 7.432 -1.340 1.00 0.00 C ATOM 515 O THR A 37 -14.151 7.269 -2.289 1.00 0.00 O ATOM 516 CB THR A 37 -16.313 5.890 0.182 1.00 0.00 C ATOM 517 OG1 THR A 37 -16.587 6.793 1.237 1.00 0.00 O ATOM 518 CG2 THR A 37 -15.040 5.130 0.579 1.00 0.00 C ATOM 0 H THR A 37 -16.235 4.656 -2.009 1.00 0.00 H new ATOM 0 HA THR A 37 -17.032 7.299 -1.248 1.00 0.00 H new ATOM 0 HB THR A 37 -17.139 5.192 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 37 -17.501 6.651 1.560 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.185 4.661 1.552 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.827 4.363 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.203 5.826 0.633 1.00 0.00 H new ATOM 526 N GLN A 38 -14.687 8.322 -0.380 1.00 0.00 N ATOM 527 CA GLN A 38 -13.526 9.183 -0.250 1.00 0.00 C ATOM 528 C GLN A 38 -12.549 8.608 0.777 1.00 0.00 C ATOM 529 O GLN A 38 -12.878 7.719 1.573 1.00 0.00 O ATOM 530 CB GLN A 38 -14.026 10.569 0.182 1.00 0.00 C ATOM 531 CG GLN A 38 -14.703 11.294 -0.979 1.00 0.00 C ATOM 532 CD GLN A 38 -15.759 12.287 -0.509 1.00 0.00 C ATOM 533 OE1 GLN A 38 -16.864 11.893 -0.128 1.00 0.00 O ATOM 534 NE2 GLN A 38 -15.471 13.576 -0.535 1.00 0.00 N ATOM 0 H GLN A 38 -15.354 8.467 0.378 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.992 9.256 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -14.728 10.464 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.189 11.164 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.949 11.820 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.166 10.562 -1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.553 13.887 -0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -16.167 14.260 -0.238 1.00 0.00 H new ATOM 543 N LEU A 39 -11.336 9.151 0.753 1.00 0.00 N ATOM 544 CA LEU A 39 -10.239 8.801 1.654 1.00 0.00 C ATOM 545 C LEU A 39 -10.094 9.861 2.748 1.00 0.00 C ATOM 546 O LEU A 39 -10.762 10.902 2.728 1.00 0.00 O ATOM 547 CB LEU A 39 -8.930 8.602 0.848 1.00 0.00 C ATOM 548 CG LEU A 39 -8.437 7.147 0.698 1.00 0.00 C ATOM 549 CD1 LEU A 39 -7.755 6.675 1.981 1.00 0.00 C ATOM 550 CD2 LEU A 39 -9.535 6.139 0.321 1.00 0.00 C ATOM 0 H LEU A 39 -11.079 9.874 0.081 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.461 7.856 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.074 9.019 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.142 9.183 1.326 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.732 7.173 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.415 5.647 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.900 7.317 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.463 6.724 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.101 5.143 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.305 6.135 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.978 6.424 -0.633 1.00 0.00 H new ATOM 562 N LYS A 40 -9.216 9.569 3.707 1.00 0.00 N ATOM 563 CA LYS A 40 -8.839 10.411 4.828 1.00 0.00 C ATOM 564 C LYS A 40 -7.321 10.371 4.918 1.00 0.00 C ATOM 565 O LYS A 40 -6.747 9.281 4.823 1.00 0.00 O ATOM 566 CB LYS A 40 -9.473 9.870 6.111 1.00 0.00 C ATOM 567 CG LYS A 40 -9.161 10.721 7.347 1.00 0.00 C ATOM 568 CD LYS A 40 -9.738 10.103 8.626 1.00 0.00 C ATOM 569 CE LYS A 40 -9.006 8.796 8.971 1.00 0.00 C ATOM 570 NZ LYS A 40 -9.595 8.077 10.117 1.00 0.00 N ATOM 0 H LYS A 40 -8.720 8.678 3.717 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.185 11.436 4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.554 9.816 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.121 8.852 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.081 10.829 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.570 11.722 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.644 10.808 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.802 9.907 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.015 8.143 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.962 9.020 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.055 7.207 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.563 8.684 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.583 7.833 9.903 1.00 0.00 H new ATOM 584 N ASP A 41 -6.696 11.530 5.099 1.00 0.00 N ATOM 585 CA ASP A 41 -5.239 11.661 5.160 1.00 0.00 C ATOM 586 C ASP A 41 -4.730 11.554 6.603 1.00 0.00 C ATOM 587 O ASP A 41 -5.443 11.883 7.553 1.00 0.00 O ATOM 588 CB ASP A 41 -4.784 12.948 4.461 1.00 0.00 C ATOM 589 CG ASP A 41 -3.342 13.321 4.781 1.00 0.00 C ATOM 590 OD1 ASP A 41 -2.439 12.486 4.561 1.00 0.00 O ATOM 591 OD2 ASP A 41 -3.165 14.432 5.330 1.00 0.00 O ATOM 0 H ASP A 41 -7.189 12.416 5.209 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.790 10.829 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.892 12.827 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.440 13.767 4.757 1.00 0.00 H new ATOM 596 N GLY A 42 -3.484 11.107 6.769 1.00 0.00 N ATOM 597 CA GLY A 42 -2.819 10.848 8.039 1.00 0.00 C ATOM 598 C GLY A 42 -1.954 12.015 8.526 1.00 0.00 C ATOM 599 O GLY A 42 -1.141 11.813 9.437 1.00 0.00 O ATOM 0 H GLY A 42 -2.880 10.906 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.572 10.624 8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.194 9.960 7.938 1.00 0.00 H new ATOM 603 N ALA A 43 -2.065 13.210 7.928 1.00 0.00 N ATOM 604 CA ALA A 43 -1.504 14.420 8.508 1.00 0.00 C ATOM 605 C ALA A 43 -2.444 14.969 9.579 1.00 0.00 C ATOM 606 O ALA A 43 -1.968 15.357 10.647 1.00 0.00 O ATOM 607 CB ALA A 43 -1.270 15.496 7.444 1.00 0.00 C ATOM 0 H ALA A 43 -2.542 13.356 7.038 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.543 14.159 8.952 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.850 16.386 7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.576 15.120 6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.217 15.749 6.968 1.00 0.00 H new ATOM 613 N THR A 44 -3.743 15.044 9.276 1.00 0.00 N ATOM 614 CA THR A 44 -4.735 15.784 10.056 1.00 0.00 C ATOM 615 C THR A 44 -6.095 15.070 10.111 1.00 0.00 C ATOM 616 O THR A 44 -6.807 15.202 11.107 1.00 0.00 O ATOM 617 CB THR A 44 -4.847 17.232 9.504 1.00 0.00 C ATOM 618 OG1 THR A 44 -4.672 17.309 8.097 1.00 0.00 O ATOM 619 CG2 THR A 44 -3.741 18.107 10.092 1.00 0.00 C ATOM 0 H THR A 44 -4.142 14.579 8.460 1.00 0.00 H new ATOM 0 HA THR A 44 -4.397 15.831 11.091 1.00 0.00 H new ATOM 0 HB THR A 44 -5.848 17.564 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.755 18.242 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.830 19.119 9.698 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.834 18.131 11.178 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.769 17.696 9.820 1.00 0.00 H new ATOM 627 N GLY A 45 -6.441 14.255 9.110 1.00 0.00 N ATOM 628 CA GLY A 45 -7.754 13.647 8.948 1.00 0.00 C ATOM 629 C GLY A 45 -8.634 14.449 7.990 1.00 0.00 C ATOM 630 O GLY A 45 -9.852 14.498 8.162 1.00 0.00 O ATOM 0 H GLY A 45 -5.790 13.995 8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.640 12.630 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.244 13.575 9.919 1.00 0.00 H new ATOM 634 N GLU A 46 -8.038 15.113 6.997 1.00 0.00 N ATOM 635 CA GLU A 46 -8.770 15.820 5.953 1.00 0.00 C ATOM 636 C GLU A 46 -9.376 14.809 4.983 1.00 0.00 C ATOM 637 O GLU A 46 -8.873 13.694 4.844 1.00 0.00 O ATOM 638 CB GLU A 46 -7.820 16.767 5.204 1.00 0.00 C ATOM 639 CG GLU A 46 -7.491 18.021 6.029 1.00 0.00 C ATOM 640 CD GLU A 46 -8.663 19.002 5.986 1.00 0.00 C ATOM 641 OE1 GLU A 46 -8.889 19.667 4.944 1.00 0.00 O ATOM 642 OE2 GLU A 46 -9.441 19.027 6.966 1.00 0.00 O ATOM 0 H GLU A 46 -7.025 15.173 6.897 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.570 16.407 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.897 16.239 4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.274 17.064 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.279 17.741 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.593 18.498 5.637 1.00 0.00 H new ATOM 649 N SER A 47 -10.432 15.229 4.291 1.00 0.00 N ATOM 650 CA SER A 47 -11.179 14.437 3.323 1.00 0.00 C ATOM 651 C SER A 47 -10.561 14.573 1.934 1.00 0.00 C ATOM 652 O SER A 47 -10.265 15.697 1.507 1.00 0.00 O ATOM 653 CB SER A 47 -12.648 14.891 3.306 1.00 0.00 C ATOM 654 OG SER A 47 -12.833 16.272 3.591 1.00 0.00 O ATOM 0 H SER A 47 -10.805 16.172 4.396 1.00 0.00 H new ATOM 0 HA SER A 47 -11.136 13.387 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.073 14.673 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.207 14.303 4.034 1.00 0.00 H new ATOM 0 HG SER A 47 -13.789 16.487 3.561 1.00 0.00 H new ATOM 660 N LEU A 48 -10.410 13.459 1.209 1.00 0.00 N ATOM 661 CA LEU A 48 -9.788 13.425 -0.111 1.00 0.00 C ATOM 662 C LEU A 48 -10.756 12.859 -1.122 1.00 0.00 C ATOM 663 O LEU A 48 -11.313 11.775 -0.924 1.00 0.00 O ATOM 664 CB LEU A 48 -8.518 12.568 -0.163 1.00 0.00 C ATOM 665 CG LEU A 48 -7.332 13.042 0.679 1.00 0.00 C ATOM 666 CD1 LEU A 48 -7.106 14.556 0.711 1.00 0.00 C ATOM 667 CD2 LEU A 48 -7.423 12.484 2.101 1.00 0.00 C ATOM 0 H LEU A 48 -10.723 12.543 1.532 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.518 14.456 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.777 11.557 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.193 12.504 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.456 12.641 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.242 14.782 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.927 14.919 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.988 15.047 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.570 12.833 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.346 12.827 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.417 11.395 2.065 1.00 0.00 H new ATOM 679 N ALA A 49 -10.884 13.561 -2.239 1.00 0.00 N ATOM 680 CA ALA A 49 -11.705 13.149 -3.359 1.00 0.00 C ATOM 681 C ALA A 49 -11.082 11.920 -4.015 1.00 0.00 C ATOM 682 O ALA A 49 -9.857 11.791 -4.033 1.00 0.00 O ATOM 683 CB ALA A 49 -11.819 14.305 -4.350 1.00 0.00 C ATOM 0 H ALA A 49 -10.409 14.451 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.707 12.886 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.436 14.000 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.277 15.163 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.826 14.578 -4.706 1.00 0.00 H new ATOM 689 N SER A 50 -11.895 11.018 -4.551 1.00 0.00 N ATOM 690 CA SER A 50 -11.435 9.757 -5.142 1.00 0.00 C ATOM 691 C SER A 50 -11.520 9.795 -6.672 1.00 0.00 C ATOM 692 O SER A 50 -12.343 10.549 -7.198 1.00 0.00 O ATOM 693 CB SER A 50 -12.233 8.577 -4.561 1.00 0.00 C ATOM 694 OG SER A 50 -13.582 8.902 -4.277 1.00 0.00 O ATOM 0 H SER A 50 -12.907 11.139 -4.590 1.00 0.00 H new ATOM 0 HA SER A 50 -10.385 9.618 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.207 7.747 -5.267 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.748 8.234 -3.647 1.00 0.00 H new ATOM 0 HG SER A 50 -13.822 8.558 -3.391 1.00 0.00 H new ATOM 700 N PRO A 51 -10.747 8.962 -7.397 1.00 0.00 N ATOM 701 CA PRO A 51 -9.636 8.136 -6.915 1.00 0.00 C ATOM 702 C PRO A 51 -8.399 8.986 -6.540 1.00 0.00 C ATOM 703 O PRO A 51 -8.380 10.203 -6.721 1.00 0.00 O ATOM 704 CB PRO A 51 -9.344 7.171 -8.076 1.00 0.00 C ATOM 705 CG PRO A 51 -9.749 7.950 -9.317 1.00 0.00 C ATOM 706 CD PRO A 51 -10.942 8.764 -8.825 1.00 0.00 C ATOM 0 HA PRO A 51 -9.889 7.606 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.291 6.892 -8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.916 6.248 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.942 8.589 -9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.021 7.289 -10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.000 9.720 -9.345 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.877 8.238 -9.020 1.00 0.00 H new ATOM 714 N VAL A 52 -7.376 8.338 -5.971 1.00 0.00 N ATOM 715 CA VAL A 52 -6.098 8.874 -5.512 1.00 0.00 C ATOM 716 C VAL A 52 -5.109 7.735 -5.759 1.00 0.00 C ATOM 717 O VAL A 52 -4.957 6.831 -4.937 1.00 0.00 O ATOM 718 CB VAL A 52 -6.127 9.287 -4.016 1.00 0.00 C ATOM 719 CG1 VAL A 52 -4.778 9.870 -3.568 1.00 0.00 C ATOM 720 CG2 VAL A 52 -7.208 10.328 -3.719 1.00 0.00 C ATOM 0 H VAL A 52 -7.431 7.333 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.831 9.790 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.346 8.372 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.834 10.149 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.996 9.124 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.546 10.752 -4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.186 10.583 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.023 11.224 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.186 9.920 -3.974 1.00 0.00 H new ATOM 730 N ILE A 53 -4.508 7.713 -6.941 1.00 0.00 N ATOM 731 CA ILE A 53 -3.599 6.659 -7.371 1.00 0.00 C ATOM 732 C ILE A 53 -2.273 7.387 -7.552 1.00 0.00 C ATOM 733 O ILE A 53 -2.215 8.337 -8.333 1.00 0.00 O ATOM 734 CB ILE A 53 -4.173 5.960 -8.627 1.00 0.00 C ATOM 735 CG1 ILE A 53 -5.483 5.207 -8.280 1.00 0.00 C ATOM 736 CG2 ILE A 53 -3.149 4.980 -9.218 1.00 0.00 C ATOM 737 CD1 ILE A 53 -6.390 4.945 -9.490 1.00 0.00 C ATOM 0 H ILE A 53 -4.641 8.442 -7.642 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.462 5.834 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.393 6.727 -9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.230 4.254 -7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.038 5.785 -7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.572 4.499 -10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.246 5.522 -9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.901 4.222 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.285 4.415 -9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.675 5.894 -9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.855 4.340 -10.222 1.00 0.00 H new ATOM 749 N LEU A 54 -1.270 7.041 -6.745 1.00 0.00 N ATOM 750 CA LEU A 54 -0.025 7.797 -6.630 1.00 0.00 C ATOM 751 C LEU A 54 1.115 7.011 -7.267 1.00 0.00 C ATOM 752 O LEU A 54 1.027 5.787 -7.417 1.00 0.00 O ATOM 753 CB LEU A 54 0.288 8.109 -5.162 1.00 0.00 C ATOM 754 CG LEU A 54 -0.812 8.879 -4.409 1.00 0.00 C ATOM 755 CD1 LEU A 54 -0.321 9.177 -2.993 1.00 0.00 C ATOM 756 CD2 LEU A 54 -1.209 10.194 -5.085 1.00 0.00 C ATOM 0 H LEU A 54 -1.301 6.217 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.139 8.745 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.476 7.171 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.210 8.688 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.699 8.246 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.091 9.723 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.106 8.241 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.585 9.780 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.988 10.683 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.339 10.848 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.583 9.989 -6.088 1.00 0.00 H new ATOM 768 N SER A 55 2.198 7.698 -7.608 1.00 0.00 N ATOM 769 CA SER A 55 3.373 7.130 -8.247 1.00 0.00 C ATOM 770 C SER A 55 4.601 7.329 -7.361 1.00 0.00 C ATOM 771 O SER A 55 4.500 7.827 -6.238 1.00 0.00 O ATOM 772 CB SER A 55 3.537 7.750 -9.643 1.00 0.00 C ATOM 773 OG SER A 55 3.851 6.732 -10.573 1.00 0.00 O ATOM 0 H SER A 55 2.283 8.701 -7.440 1.00 0.00 H new ATOM 0 HA SER A 55 3.254 6.054 -8.376 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.619 8.257 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.326 8.502 -9.629 1.00 0.00 H new ATOM 0 HG SER A 55 3.955 7.124 -11.465 1.00 0.00 H new ATOM 779 N ASP A 56 5.762 6.932 -7.880 1.00 0.00 N ATOM 780 CA ASP A 56 7.073 7.012 -7.242 1.00 0.00 C ATOM 781 C ASP A 56 7.338 8.421 -6.727 1.00 0.00 C ATOM 782 O ASP A 56 7.875 8.607 -5.636 1.00 0.00 O ATOM 783 CB ASP A 56 8.163 6.616 -8.245 1.00 0.00 C ATOM 784 CG ASP A 56 8.363 7.637 -9.367 1.00 0.00 C ATOM 785 OD1 ASP A 56 7.577 7.600 -10.348 1.00 0.00 O ATOM 786 OD2 ASP A 56 9.266 8.495 -9.256 1.00 0.00 O ATOM 0 H ASP A 56 5.814 6.522 -8.812 1.00 0.00 H new ATOM 0 HA ASP A 56 7.088 6.325 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.105 6.485 -7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.908 5.651 -8.684 1.00 0.00 H new ATOM 791 N GLU A 57 6.942 9.431 -7.495 1.00 0.00 N ATOM 792 CA GLU A 57 7.168 10.808 -7.169 1.00 0.00 C ATOM 793 C GLU A 57 6.491 11.166 -5.840 1.00 0.00 C ATOM 794 O GLU A 57 7.121 11.714 -4.935 1.00 0.00 O ATOM 795 CB GLU A 57 6.620 11.618 -8.348 1.00 0.00 C ATOM 796 CG GLU A 57 7.418 12.905 -8.508 1.00 0.00 C ATOM 797 CD GLU A 57 6.533 14.137 -8.644 1.00 0.00 C ATOM 798 OE1 GLU A 57 5.992 14.607 -7.615 1.00 0.00 O ATOM 799 OE2 GLU A 57 6.414 14.692 -9.760 1.00 0.00 O ATOM 0 H GLU A 57 6.446 9.297 -8.376 1.00 0.00 H new ATOM 0 HA GLU A 57 8.226 11.028 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.677 11.029 -9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.568 11.850 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.075 13.029 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.057 12.824 -9.387 1.00 0.00 H new ATOM 806 N GLU A 58 5.220 10.796 -5.709 1.00 0.00 N ATOM 807 CA GLU A 58 4.317 11.000 -4.575 1.00 0.00 C ATOM 808 C GLU A 58 4.603 10.006 -3.426 1.00 0.00 C ATOM 809 O GLU A 58 3.829 9.897 -2.468 1.00 0.00 O ATOM 810 CB GLU A 58 2.887 10.870 -5.133 1.00 0.00 C ATOM 811 CG GLU A 58 2.442 12.093 -5.953 1.00 0.00 C ATOM 812 CD GLU A 58 2.198 13.374 -5.143 1.00 0.00 C ATOM 813 OE1 GLU A 58 1.805 13.292 -3.962 1.00 0.00 O ATOM 814 OE2 GLU A 58 2.284 14.474 -5.740 1.00 0.00 O ATOM 0 H GLU A 58 4.750 10.298 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 58 4.460 11.984 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.828 9.980 -5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.193 10.724 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.201 12.299 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.525 11.839 -6.485 1.00 0.00 H new ATOM 821 N LEU A 59 5.716 9.270 -3.506 1.00 0.00 N ATOM 822 CA LEU A 59 6.212 8.317 -2.518 1.00 0.00 C ATOM 823 C LEU A 59 7.485 8.828 -1.836 1.00 0.00 C ATOM 824 O LEU A 59 8.204 8.040 -1.221 1.00 0.00 O ATOM 825 CB LEU A 59 6.411 6.940 -3.185 1.00 0.00 C ATOM 826 CG LEU A 59 5.231 5.984 -2.972 1.00 0.00 C ATOM 827 CD1 LEU A 59 5.371 4.832 -3.971 1.00 0.00 C ATOM 828 CD2 LEU A 59 5.212 5.416 -1.545 1.00 0.00 C ATOM 0 H LEU A 59 6.332 9.331 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 59 5.472 8.205 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.566 7.082 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.317 6.481 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 59 4.300 6.531 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.543 4.135 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.357 5.227 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.313 4.312 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.362 4.743 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.136 4.868 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.125 6.233 -0.829 1.00 0.00 H new ATOM 840 N ALA A 60 7.772 10.136 -1.879 1.00 0.00 N ATOM 841 CA ALA A 60 8.879 10.705 -1.110 1.00 0.00 C ATOM 842 C ALA A 60 8.620 10.628 0.411 1.00 0.00 C ATOM 843 O ALA A 60 9.521 10.918 1.198 1.00 0.00 O ATOM 844 CB ALA A 60 9.136 12.163 -1.518 1.00 0.00 C ATOM 0 H ALA A 60 7.254 10.815 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 60 9.763 10.109 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.963 12.564 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.387 12.205 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.240 12.756 -1.334 1.00 0.00 H new ATOM 850 N VAL A 61 7.398 10.306 0.850 1.00 0.00 N ATOM 851 CA VAL A 61 7.035 10.138 2.260 1.00 0.00 C ATOM 852 C VAL A 61 7.713 8.907 2.874 1.00 0.00 C ATOM 853 O VAL A 61 7.957 7.906 2.198 1.00 0.00 O ATOM 854 CB VAL A 61 5.498 10.046 2.418 1.00 0.00 C ATOM 855 CG1 VAL A 61 4.822 11.401 2.177 1.00 0.00 C ATOM 856 CG2 VAL A 61 4.849 9.006 1.489 1.00 0.00 C ATOM 0 H VAL A 61 6.614 10.151 0.216 1.00 0.00 H new ATOM 0 HA VAL A 61 7.391 11.016 2.800 1.00 0.00 H new ATOM 0 HB VAL A 61 5.343 9.727 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.744 11.296 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.198 12.128 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.043 11.743 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.771 8.994 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.056 9.266 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.259 8.019 1.704 1.00 0.00 H new ATOM 866 N GLU A 62 7.961 8.965 4.183 1.00 0.00 N ATOM 867 CA GLU A 62 8.426 7.834 4.982 1.00 0.00 C ATOM 868 C GLU A 62 7.282 6.878 5.256 1.00 0.00 C ATOM 869 O GLU A 62 7.309 5.731 4.847 1.00 0.00 O ATOM 870 CB GLU A 62 8.970 8.345 6.324 1.00 0.00 C ATOM 871 CG GLU A 62 10.285 9.075 6.129 1.00 0.00 C ATOM 872 CD GLU A 62 10.825 9.677 7.427 1.00 0.00 C ATOM 873 OE1 GLU A 62 10.717 9.031 8.502 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.335 10.820 7.349 1.00 0.00 O ATOM 0 H GLU A 62 7.841 9.819 4.728 1.00 0.00 H new ATOM 0 HA GLU A 62 9.209 7.315 4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.243 9.013 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.112 7.507 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.022 8.384 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.150 9.869 5.394 1.00 0.00 H new ATOM 881 N LYS A 63 6.292 7.321 6.018 1.00 0.00 N ATOM 882 CA LYS A 63 5.131 6.512 6.362 1.00 0.00 C ATOM 883 C LYS A 63 3.915 7.368 6.649 1.00 0.00 C ATOM 884 O LYS A 63 4.051 8.534 7.041 1.00 0.00 O ATOM 885 CB LYS A 63 5.465 5.563 7.513 1.00 0.00 C ATOM 886 CG LYS A 63 5.686 6.216 8.873 1.00 0.00 C ATOM 887 CD LYS A 63 7.038 6.932 8.965 1.00 0.00 C ATOM 888 CE LYS A 63 7.524 7.032 10.403 1.00 0.00 C ATOM 889 NZ LYS A 63 6.800 8.076 11.157 1.00 0.00 N ATOM 0 H LYS A 63 6.272 8.259 6.418 1.00 0.00 H new ATOM 0 HA LYS A 63 4.871 5.900 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.656 4.838 7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.364 5.005 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.886 6.931 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.627 5.456 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.775 6.396 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.950 7.932 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.393 6.070 10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.591 7.252 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.160 8.113 12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.945 8.998 10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.784 7.853 11.171 1.00 0.00 H new ATOM 903 N VAL A 64 2.742 6.777 6.462 1.00 0.00 N ATOM 904 CA VAL A 64 1.449 7.375 6.555 1.00 0.00 C ATOM 905 C VAL A 64 0.490 6.374 7.210 1.00 0.00 C ATOM 906 O VAL A 64 0.846 5.220 7.469 1.00 0.00 O ATOM 907 CB VAL A 64 1.030 7.709 5.119 1.00 0.00 C ATOM 908 CG1 VAL A 64 2.063 8.499 4.297 1.00 0.00 C ATOM 909 CG2 VAL A 64 0.545 6.523 4.284 1.00 0.00 C ATOM 0 H VAL A 64 2.684 5.787 6.223 1.00 0.00 H new ATOM 0 HA VAL A 64 1.442 8.279 7.164 1.00 0.00 H new ATOM 0 HB VAL A 64 0.178 8.360 5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.669 8.683 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.267 9.451 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.986 7.924 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.273 6.867 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.341 5.782 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.325 6.073 4.762 1.00 0.00 H new ATOM 919 N THR A 65 -0.766 6.762 7.406 1.00 0.00 N ATOM 920 CA THR A 65 -1.843 5.835 7.714 1.00 0.00 C ATOM 921 C THR A 65 -3.110 6.400 7.084 1.00 0.00 C ATOM 922 O THR A 65 -3.517 7.510 7.441 1.00 0.00 O ATOM 923 CB THR A 65 -1.966 5.701 9.234 1.00 0.00 C ATOM 924 OG1 THR A 65 -0.719 5.368 9.826 1.00 0.00 O ATOM 925 CG2 THR A 65 -2.987 4.632 9.598 1.00 0.00 C ATOM 0 H THR A 65 -1.065 7.736 7.355 1.00 0.00 H new ATOM 0 HA THR A 65 -1.658 4.837 7.316 1.00 0.00 H new ATOM 0 HB THR A 65 -2.294 6.667 9.617 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.828 5.291 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.059 4.552 10.683 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.960 4.904 9.188 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.674 3.674 9.184 1.00 0.00 H new ATOM 933 N LEU A 66 -3.692 5.693 6.109 1.00 0.00 N ATOM 934 CA LEU A 66 -4.746 6.248 5.266 1.00 0.00 C ATOM 935 C LEU A 66 -5.974 5.352 5.283 1.00 0.00 C ATOM 936 O LEU A 66 -5.848 4.127 5.370 1.00 0.00 O ATOM 937 CB LEU A 66 -4.220 6.448 3.841 1.00 0.00 C ATOM 938 CG LEU A 66 -3.018 7.404 3.770 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.419 7.342 2.379 1.00 0.00 C ATOM 940 CD2 LEU A 66 -3.375 8.848 4.082 1.00 0.00 C ATOM 0 H LEU A 66 -3.445 4.729 5.887 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.044 7.219 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.933 5.481 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.023 6.837 3.215 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.309 7.076 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.566 8.017 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.091 6.324 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.169 7.640 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.480 9.467 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.117 9.202 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.784 8.912 5.090 1.00 0.00 H new ATOM 952 N SER A 67 -7.171 5.942 5.228 1.00 0.00 N ATOM 953 CA SER A 67 -8.357 5.234 5.707 1.00 0.00 C ATOM 954 C SER A 67 -9.637 5.727 5.028 1.00 0.00 C ATOM 955 O SER A 67 -9.883 6.927 4.927 1.00 0.00 O ATOM 956 CB SER A 67 -8.452 5.373 7.242 1.00 0.00 C ATOM 957 OG SER A 67 -7.253 5.820 7.850 1.00 0.00 O ATOM 0 H SER A 67 -7.342 6.881 4.867 1.00 0.00 H new ATOM 0 HA SER A 67 -8.255 4.181 5.445 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.254 6.070 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.727 4.409 7.669 1.00 0.00 H new ATOM 0 HG SER A 67 -7.383 5.887 8.819 1.00 0.00 H new ATOM 963 N THR A 68 -10.477 4.808 4.562 1.00 0.00 N ATOM 964 CA THR A 68 -11.742 5.112 3.896 1.00 0.00 C ATOM 965 C THR A 68 -12.686 5.828 4.851 1.00 0.00 C ATOM 966 O THR A 68 -12.786 5.402 6.006 1.00 0.00 O ATOM 967 CB THR A 68 -12.390 3.791 3.486 1.00 0.00 C ATOM 968 OG1 THR A 68 -12.446 2.939 4.614 1.00 0.00 O ATOM 969 CG2 THR A 68 -11.607 3.075 2.397 1.00 0.00 C ATOM 0 H THR A 68 -10.294 3.807 4.638 1.00 0.00 H new ATOM 0 HA THR A 68 -11.552 5.750 3.033 1.00 0.00 H new ATOM 0 HB THR A 68 -13.383 4.021 3.100 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.589 3.475 5.422 1.00 0.00 H new ATOM 0 HG21 THR A 68 -12.109 2.142 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.549 3.710 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.600 2.859 2.755 1.00 0.00 H new ATOM 977 N THR A 69 -13.405 6.856 4.407 1.00 0.00 N ATOM 978 CA THR A 69 -14.388 7.481 5.285 1.00 0.00 C ATOM 979 C THR A 69 -15.640 6.594 5.359 1.00 0.00 C ATOM 980 O THR A 69 -16.109 6.269 6.453 1.00 0.00 O ATOM 981 CB THR A 69 -14.615 8.948 4.883 1.00 0.00 C ATOM 982 OG1 THR A 69 -15.331 9.097 3.672 1.00 0.00 O ATOM 983 CG2 THR A 69 -13.277 9.669 4.720 1.00 0.00 C ATOM 0 H THR A 69 -13.330 7.263 3.475 1.00 0.00 H new ATOM 0 HA THR A 69 -14.025 7.546 6.311 1.00 0.00 H new ATOM 0 HB THR A 69 -15.208 9.381 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.443 10.050 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.455 10.706 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.731 9.640 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.690 9.176 3.945 1.00 0.00 H new ATOM 991 N GLY A 70 -16.133 6.142 4.201 1.00 0.00 N ATOM 992 CA GLY A 70 -17.238 5.208 4.044 1.00 0.00 C ATOM 993 C GLY A 70 -16.783 3.948 3.317 1.00 0.00 C ATOM 994 O GLY A 70 -15.701 3.430 3.587 1.00 0.00 O ATOM 0 H GLY A 70 -15.747 6.437 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.639 4.944 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.045 5.683 3.487 1.00 0.00 H new ATOM 998 N LYS A 71 -17.606 3.395 2.423 1.00 0.00 N ATOM 999 CA LYS A 71 -17.355 2.063 1.865 1.00 0.00 C ATOM 1000 C LYS A 71 -16.497 2.108 0.601 1.00 0.00 C ATOM 1001 O LYS A 71 -16.907 2.657 -0.424 1.00 0.00 O ATOM 1002 CB LYS A 71 -18.691 1.336 1.641 1.00 0.00 C ATOM 1003 CG LYS A 71 -19.455 0.988 2.935 1.00 0.00 C ATOM 1004 CD LYS A 71 -18.559 0.435 4.056 1.00 0.00 C ATOM 1005 CE LYS A 71 -19.306 -0.371 5.126 1.00 0.00 C ATOM 1006 NZ LYS A 71 -19.859 -1.645 4.617 1.00 0.00 N ATOM 0 H LYS A 71 -18.450 3.847 2.070 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.770 1.495 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.329 1.959 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.501 0.416 1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.964 1.882 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.227 0.254 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.791 -0.199 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.046 1.267 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.627 -0.582 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.118 0.235 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.877 -1.533 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.375 -1.906 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.715 -2.393 5.325 1.00 0.00 H new ATOM 1020 N ALA A 72 -15.297 1.521 0.653 1.00 0.00 N ATOM 1021 CA ALA A 72 -14.514 1.216 -0.534 1.00 0.00 C ATOM 1022 C ALA A 72 -15.137 0.028 -1.235 1.00 0.00 C ATOM 1023 O ALA A 72 -15.191 -1.066 -0.679 1.00 0.00 O ATOM 1024 CB ALA A 72 -13.062 0.896 -0.204 1.00 0.00 C ATOM 0 H ALA A 72 -14.846 1.246 1.525 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.518 2.098 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.520 0.675 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.604 1.753 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.021 0.031 0.458 1.00 0.00 H new ATOM 1030 N ILE A 73 -15.601 0.282 -2.452 1.00 0.00 N ATOM 1031 CA ILE A 73 -16.209 -0.692 -3.340 1.00 0.00 C ATOM 1032 C ILE A 73 -15.186 -1.789 -3.638 1.00 0.00 C ATOM 1033 O ILE A 73 -15.471 -2.969 -3.474 1.00 0.00 O ATOM 1034 CB ILE A 73 -16.699 0.025 -4.623 1.00 0.00 C ATOM 1035 CG1 ILE A 73 -17.400 1.370 -4.345 1.00 0.00 C ATOM 1036 CG2 ILE A 73 -17.621 -0.855 -5.468 1.00 0.00 C ATOM 1037 CD1 ILE A 73 -18.562 1.311 -3.352 1.00 0.00 C ATOM 0 H ILE A 73 -15.560 1.215 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.077 -1.161 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 73 -15.787 0.229 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -16.659 2.076 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.771 1.769 -5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -17.936 -0.305 -6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -17.088 -1.756 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -18.498 -1.131 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.985 2.308 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -19.330 0.636 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.201 0.947 -2.390 1.00 0.00 H new ATOM 1049 N GLU A 74 -13.982 -1.371 -4.031 1.00 0.00 N ATOM 1050 CA GLU A 74 -12.872 -2.215 -4.444 1.00 0.00 C ATOM 1051 C GLU A 74 -11.648 -1.689 -3.697 1.00 0.00 C ATOM 1052 O GLU A 74 -11.489 -0.463 -3.598 1.00 0.00 O ATOM 1053 CB GLU A 74 -12.658 -2.086 -5.970 1.00 0.00 C ATOM 1054 CG GLU A 74 -13.870 -2.445 -6.835 1.00 0.00 C ATOM 1055 CD GLU A 74 -13.858 -3.912 -7.252 1.00 0.00 C ATOM 1056 OE1 GLU A 74 -13.366 -4.765 -6.486 1.00 0.00 O ATOM 1057 OE2 GLU A 74 -14.220 -4.194 -8.414 1.00 0.00 O ATOM 0 H GLU A 74 -13.748 -0.379 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.056 -3.266 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.364 -1.060 -6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.824 -2.726 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.785 -2.232 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.880 -1.815 -7.724 1.00 0.00 H new ATOM 1064 N PHE A 75 -10.784 -2.565 -3.192 1.00 0.00 N ATOM 1065 CA PHE A 75 -9.505 -2.252 -2.574 1.00 0.00 C ATOM 1066 C PHE A 75 -8.500 -3.338 -2.939 1.00 0.00 C ATOM 1067 O PHE A 75 -8.848 -4.519 -2.931 1.00 0.00 O ATOM 1068 CB PHE A 75 -9.696 -2.196 -1.052 1.00 0.00 C ATOM 1069 CG PHE A 75 -8.440 -1.979 -0.226 1.00 0.00 C ATOM 1070 CD1 PHE A 75 -7.429 -1.085 -0.633 1.00 0.00 C ATOM 1071 CD2 PHE A 75 -8.287 -2.690 0.978 1.00 0.00 C ATOM 1072 CE1 PHE A 75 -6.277 -0.922 0.152 1.00 0.00 C ATOM 1073 CE2 PHE A 75 -7.150 -2.504 1.777 1.00 0.00 C ATOM 1074 CZ PHE A 75 -6.148 -1.612 1.368 1.00 0.00 C ATOM 0 H PHE A 75 -10.971 -3.568 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.133 -1.290 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -10.399 -1.394 -0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.161 -3.128 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.541 -0.525 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.052 -3.385 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.488 -0.264 -0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.046 -3.046 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.278 -1.456 1.988 1.00 0.00 H new ATOM 1084 N ALA A 76 -7.254 -2.953 -3.217 1.00 0.00 N ATOM 1085 CA ALA A 76 -6.173 -3.900 -3.437 1.00 0.00 C ATOM 1086 C ALA A 76 -4.953 -3.484 -2.626 1.00 0.00 C ATOM 1087 O ALA A 76 -4.756 -2.302 -2.336 1.00 0.00 O ATOM 1088 CB ALA A 76 -5.866 -3.994 -4.933 1.00 0.00 C ATOM 0 H ALA A 76 -6.971 -1.976 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.470 -4.893 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.055 -4.705 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.755 -4.331 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.569 -3.014 -5.306 1.00 0.00 H new ATOM 1094 N VAL A 77 -4.119 -4.462 -2.292 1.00 0.00 N ATOM 1095 CA VAL A 77 -2.902 -4.332 -1.508 1.00 0.00 C ATOM 1096 C VAL A 77 -1.858 -5.054 -2.349 1.00 0.00 C ATOM 1097 O VAL A 77 -1.561 -6.226 -2.134 1.00 0.00 O ATOM 1098 CB VAL A 77 -3.109 -4.885 -0.076 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -1.896 -4.747 0.862 1.00 0.00 C ATOM 1100 CG2 VAL A 77 -4.281 -4.167 0.597 1.00 0.00 C ATOM 0 H VAL A 77 -4.287 -5.426 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.584 -3.306 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.290 -5.950 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.142 -5.163 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.047 -5.286 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.638 -3.694 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.420 -4.562 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.070 -3.099 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.189 -4.328 0.016 1.00 0.00 H new ATOM 1110 N SER A 78 -1.362 -4.361 -3.370 1.00 0.00 N ATOM 1111 CA SER A 78 -0.180 -4.774 -4.105 1.00 0.00 C ATOM 1112 C SER A 78 0.970 -3.893 -3.589 1.00 0.00 C ATOM 1113 O SER A 78 0.843 -3.239 -2.545 1.00 0.00 O ATOM 1114 CB SER A 78 -0.497 -4.783 -5.615 1.00 0.00 C ATOM 1115 OG SER A 78 0.163 -3.818 -6.414 1.00 0.00 O ATOM 0 H SER A 78 -1.775 -3.492 -3.709 1.00 0.00 H new ATOM 0 HA SER A 78 0.148 -5.800 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.254 -5.771 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.572 -4.647 -5.737 1.00 0.00 H new ATOM 0 HG SER A 78 -0.114 -3.922 -7.348 1.00 0.00 H new ATOM 1121 N GLY A 79 2.101 -3.869 -4.280 1.00 0.00 N ATOM 1122 CA GLY A 79 3.109 -2.844 -4.105 1.00 0.00 C ATOM 1123 C GLY A 79 4.023 -2.928 -5.306 1.00 0.00 C ATOM 1124 O GLY A 79 3.972 -2.078 -6.198 1.00 0.00 O ATOM 0 H GLY A 79 2.343 -4.568 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.651 -1.858 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.667 -3.002 -3.182 1.00 0.00 H new ATOM 1128 N GLY A 80 4.804 -4.004 -5.356 1.00 0.00 N ATOM 1129 CA GLY A 80 5.731 -4.254 -6.438 1.00 0.00 C ATOM 1130 C GLY A 80 6.797 -3.161 -6.488 1.00 0.00 C ATOM 1131 O GLY A 80 6.970 -2.388 -5.539 1.00 0.00 O ATOM 0 H GLY A 80 4.806 -4.728 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.204 -5.227 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.193 -4.290 -7.385 1.00 0.00 H new ATOM 1135 N VAL A 81 7.558 -3.125 -7.572 1.00 0.00 N ATOM 1136 CA VAL A 81 8.520 -2.076 -7.887 1.00 0.00 C ATOM 1137 C VAL A 81 8.709 -2.062 -9.405 1.00 0.00 C ATOM 1138 O VAL A 81 8.083 -2.863 -10.114 1.00 0.00 O ATOM 1139 CB VAL A 81 9.801 -2.313 -7.046 1.00 0.00 C ATOM 1140 CG1 VAL A 81 10.592 -3.547 -7.483 1.00 0.00 C ATOM 1141 CG2 VAL A 81 10.739 -1.106 -6.999 1.00 0.00 C ATOM 0 H VAL A 81 7.522 -3.854 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 81 8.184 -1.075 -7.616 1.00 0.00 H new ATOM 0 HB VAL A 81 9.417 -2.484 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.476 -3.654 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.966 -4.434 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.899 -3.433 -8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.612 -1.347 -6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.058 -0.853 -8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.216 -0.256 -6.560 1.00 0.00 H new ATOM 1295 N MET A 93 16.598 -1.811 2.967 1.00 0.00 N ATOM 1296 CA MET A 93 15.231 -1.340 3.106 1.00 0.00 C ATOM 1297 C MET A 93 14.381 -2.510 3.565 1.00 0.00 C ATOM 1298 O MET A 93 14.210 -3.501 2.849 1.00 0.00 O ATOM 1299 CB MET A 93 14.740 -0.721 1.784 1.00 0.00 C ATOM 1300 CG MET A 93 13.214 -0.531 1.743 1.00 0.00 C ATOM 1301 SD MET A 93 12.621 0.865 0.748 1.00 0.00 S ATOM 1302 CE MET A 93 12.961 2.128 1.998 1.00 0.00 C ATOM 0 HA MET A 93 15.160 -0.547 3.851 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.225 0.244 1.638 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.044 -1.359 0.955 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.763 -1.445 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 93 12.855 -0.404 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.706 3.111 1.601 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.363 1.930 2.888 1.00 0.00 H new ATOM 0 HE3 MET A 93 14.019 2.105 2.260 1.00 0.00 H new ATOM 1312 N GLN A 94 13.872 -2.379 4.785 1.00 0.00 N ATOM 1313 CA GLN A 94 12.752 -3.170 5.218 1.00 0.00 C ATOM 1314 C GLN A 94 11.493 -2.538 4.625 1.00 0.00 C ATOM 1315 O GLN A 94 11.406 -1.314 4.506 1.00 0.00 O ATOM 1316 CB GLN A 94 12.711 -3.193 6.753 1.00 0.00 C ATOM 1317 CG GLN A 94 11.797 -4.330 7.192 1.00 0.00 C ATOM 1318 CD GLN A 94 11.733 -4.530 8.700 1.00 0.00 C ATOM 1319 OE1 GLN A 94 11.459 -3.609 9.459 1.00 0.00 O ATOM 1320 NE2 GLN A 94 11.933 -5.755 9.160 1.00 0.00 N ATOM 0 H GLN A 94 14.226 -1.727 5.485 1.00 0.00 H new ATOM 0 HA GLN A 94 12.830 -4.203 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.713 -3.334 7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.344 -2.241 7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.791 -4.138 6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.138 -5.255 6.728 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.160 -6.511 8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.860 -5.943 10.160 1.00 0.00 H new ATOM 1329 N TRP A 95 10.491 -3.352 4.323 1.00 0.00 N ATOM 1330 CA TRP A 95 9.129 -2.903 4.086 1.00 0.00 C ATOM 1331 C TRP A 95 8.253 -3.761 4.982 1.00 0.00 C ATOM 1332 O TRP A 95 8.293 -4.991 4.872 1.00 0.00 O ATOM 1333 CB TRP A 95 8.762 -3.047 2.598 1.00 0.00 C ATOM 1334 CG TRP A 95 8.619 -1.785 1.796 1.00 0.00 C ATOM 1335 CD1 TRP A 95 9.194 -0.582 2.033 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.773 -1.587 0.628 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.724 0.345 1.121 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.810 -0.214 0.255 1.00 0.00 C ATOM 1339 CE3 TRP A 95 6.942 -2.436 -0.128 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.018 0.296 -0.785 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.158 -1.947 -1.185 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.196 -0.582 -1.511 1.00 0.00 C ATOM 0 H TRP A 95 10.606 -4.362 4.235 1.00 0.00 H new ATOM 0 HA TRP A 95 8.996 -1.847 4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.523 -3.664 2.122 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.822 -3.595 2.534 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.910 -0.378 2.815 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.018 1.321 1.093 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.907 -3.489 0.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.040 1.349 -1.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.527 -2.620 -1.746 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.591 -0.206 -2.323 1.00 0.00 H new ATOM 1353 N VAL A 96 7.496 -3.142 5.880 1.00 0.00 N ATOM 1354 CA VAL A 96 6.490 -3.804 6.696 1.00 0.00 C ATOM 1355 C VAL A 96 5.138 -3.257 6.241 1.00 0.00 C ATOM 1356 O VAL A 96 5.031 -2.102 5.815 1.00 0.00 O ATOM 1357 CB VAL A 96 6.780 -3.613 8.202 1.00 0.00 C ATOM 1358 CG1 VAL A 96 5.842 -4.484 9.046 1.00 0.00 C ATOM 1359 CG2 VAL A 96 8.212 -4.049 8.558 1.00 0.00 C ATOM 0 H VAL A 96 7.568 -2.141 6.064 1.00 0.00 H new ATOM 0 HA VAL A 96 6.497 -4.886 6.562 1.00 0.00 H new ATOM 0 HB VAL A 96 6.637 -2.553 8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.061 -4.336 10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.808 -4.203 8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.989 -5.533 8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.383 -3.902 9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.343 -5.103 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.926 -3.452 7.990 1.00 0.00 H new ATOM 1369 N VAL A 97 4.129 -4.126 6.247 1.00 0.00 N ATOM 1370 CA VAL A 97 2.821 -3.876 5.672 1.00 0.00 C ATOM 1371 C VAL A 97 1.821 -4.517 6.633 1.00 0.00 C ATOM 1372 O VAL A 97 2.033 -5.651 7.073 1.00 0.00 O ATOM 1373 CB VAL A 97 2.746 -4.495 4.254 1.00 0.00 C ATOM 1374 CG1 VAL A 97 1.515 -3.988 3.498 1.00 0.00 C ATOM 1375 CG2 VAL A 97 3.969 -4.208 3.363 1.00 0.00 C ATOM 0 H VAL A 97 4.208 -5.052 6.667 1.00 0.00 H new ATOM 0 HA VAL A 97 2.608 -2.814 5.554 1.00 0.00 H new ATOM 0 HB VAL A 97 2.701 -5.568 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.487 -4.438 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.613 -4.261 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.567 -2.903 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.829 -4.680 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.079 -3.132 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.866 -4.609 3.835 1.00 0.00 H new ATOM 1385 N THR A 98 0.754 -3.800 6.985 1.00 0.00 N ATOM 1386 CA THR A 98 -0.371 -4.370 7.711 1.00 0.00 C ATOM 1387 C THR A 98 -1.649 -3.830 7.068 1.00 0.00 C ATOM 1388 O THR A 98 -1.775 -2.626 6.814 1.00 0.00 O ATOM 1389 CB THR A 98 -0.271 -4.041 9.214 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.993 -4.367 9.776 1.00 0.00 O ATOM 1391 CG2 THR A 98 -1.292 -4.844 10.015 1.00 0.00 C ATOM 0 H THR A 98 0.649 -2.808 6.773 1.00 0.00 H new ATOM 0 HA THR A 98 -0.373 -5.458 7.648 1.00 0.00 H new ATOM 0 HB THR A 98 -0.443 -2.966 9.274 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.997 -4.135 10.728 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.202 -4.595 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.297 -4.602 9.669 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.107 -5.909 9.876 1.00 0.00 H new ATOM 1399 N VAL A 99 -2.579 -4.720 6.741 1.00 0.00 N ATOM 1400 CA VAL A 99 -3.869 -4.392 6.160 1.00 0.00 C ATOM 1401 C VAL A 99 -4.956 -4.617 7.211 1.00 0.00 C ATOM 1402 O VAL A 99 -4.960 -5.634 7.920 1.00 0.00 O ATOM 1403 CB VAL A 99 -4.105 -5.294 4.947 1.00 0.00 C ATOM 1404 CG1 VAL A 99 -5.240 -4.778 4.065 1.00 0.00 C ATOM 1405 CG2 VAL A 99 -2.882 -5.432 4.035 1.00 0.00 C ATOM 0 H VAL A 99 -2.448 -5.722 6.879 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.894 -3.350 5.841 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.347 -6.262 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.374 -5.448 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.162 -4.738 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.995 -3.779 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.125 -6.086 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.597 -4.450 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.053 -5.859 4.600 1.00 0.00 H new ATOM 1415 N TYR A 100 -5.918 -3.698 7.259 1.00 0.00 N ATOM 1416 CA TYR A 100 -7.036 -3.741 8.182 1.00 0.00 C ATOM 1417 C TYR A 100 -8.345 -3.765 7.388 1.00 0.00 C ATOM 1418 O TYR A 100 -8.409 -3.351 6.229 1.00 0.00 O ATOM 1419 CB TYR A 100 -6.940 -2.573 9.182 1.00 0.00 C ATOM 1420 CG TYR A 100 -5.690 -2.576 10.059 1.00 0.00 C ATOM 1421 CD1 TYR A 100 -4.463 -2.048 9.604 1.00 0.00 C ATOM 1422 CD2 TYR A 100 -5.760 -3.096 11.363 1.00 0.00 C ATOM 1423 CE1 TYR A 100 -3.323 -2.067 10.433 1.00 0.00 C ATOM 1424 CE2 TYR A 100 -4.635 -3.108 12.201 1.00 0.00 C ATOM 1425 CZ TYR A 100 -3.401 -2.609 11.738 1.00 0.00 C ATOM 1426 OH TYR A 100 -2.335 -2.615 12.584 1.00 0.00 O ATOM 0 H TYR A 100 -5.937 -2.887 6.641 1.00 0.00 H new ATOM 0 HA TYR A 100 -7.010 -4.653 8.779 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.974 -1.635 8.627 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.818 -2.594 9.827 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.397 -1.626 8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.696 -3.493 11.726 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.387 -1.667 10.071 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -4.715 -3.501 13.204 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.594 -3.031 13.433 1.00 0.00 H new ATOM 1436 N LYS A 101 -9.398 -4.300 8.000 1.00 0.00 N ATOM 1437 CA LYS A 101 -10.772 -4.320 7.511 1.00 0.00 C ATOM 1438 C LYS A 101 -11.508 -3.120 8.110 1.00 0.00 C ATOM 1439 O LYS A 101 -10.890 -2.198 8.642 1.00 0.00 O ATOM 1440 CB LYS A 101 -11.430 -5.667 7.908 1.00 0.00 C ATOM 1441 CG LYS A 101 -12.343 -6.203 6.792 1.00 0.00 C ATOM 1442 CD LYS A 101 -11.511 -6.961 5.749 1.00 0.00 C ATOM 1443 CE LYS A 101 -11.974 -6.707 4.314 1.00 0.00 C ATOM 1444 NZ LYS A 101 -10.946 -7.135 3.344 1.00 0.00 N ATOM 0 H LYS A 101 -9.308 -4.759 8.906 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.813 -4.242 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.654 -6.401 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.010 -5.534 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.099 -6.864 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.872 -5.377 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.465 -6.668 5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.563 -8.030 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.903 -7.246 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.188 -5.647 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.382 -7.259 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.201 -6.412 3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.530 -8.036 3.654 1.00 0.00 H new ATOM 1458 N ASN A 102 -12.843 -3.163 8.107 1.00 0.00 N ATOM 1459 CA ASN A 102 -13.665 -2.414 9.045 1.00 0.00 C ATOM 1460 C ASN A 102 -13.306 -2.928 10.443 1.00 0.00 C ATOM 1461 O ASN A 102 -13.883 -3.907 10.925 1.00 0.00 O ATOM 1462 CB ASN A 102 -15.195 -2.484 8.767 1.00 0.00 C ATOM 1463 CG ASN A 102 -15.654 -3.217 7.518 1.00 0.00 C ATOM 1464 OD1 ASN A 102 -16.165 -2.590 6.594 1.00 0.00 O ATOM 1465 ND2 ASN A 102 -15.501 -4.531 7.465 1.00 0.00 N ATOM 0 H ASN A 102 -13.382 -3.724 7.447 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.447 -1.351 8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -15.671 -2.956 9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.573 -1.463 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.811 -5.048 6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.073 -5.027 8.247 1.00 0.00 H new ATOM 1472 N GLY A 103 -12.314 -2.300 11.065 1.00 0.00 N ATOM 1473 CA GLY A 103 -12.088 -2.347 12.500 1.00 0.00 C ATOM 1474 C GLY A 103 -11.368 -3.595 13.014 1.00 0.00 C ATOM 1475 O GLY A 103 -11.670 -4.014 14.135 1.00 0.00 O ATOM 0 H GLY A 103 -11.628 -1.730 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.508 -1.470 12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.051 -2.271 13.004 1.00 0.00 H new ATOM 1479 N LYS A 104 -10.490 -4.234 12.227 1.00 0.00 N ATOM 1480 CA LYS A 104 -9.589 -5.312 12.662 1.00 0.00 C ATOM 1481 C LYS A 104 -8.451 -5.476 11.663 1.00 0.00 C ATOM 1482 O LYS A 104 -8.616 -5.089 10.513 1.00 0.00 O ATOM 1483 CB LYS A 104 -10.341 -6.635 12.799 1.00 0.00 C ATOM 1484 CG LYS A 104 -10.857 -7.215 11.483 1.00 0.00 C ATOM 1485 CD LYS A 104 -11.727 -8.448 11.721 1.00 0.00 C ATOM 1486 CE LYS A 104 -13.105 -8.127 12.328 1.00 0.00 C ATOM 1487 NZ LYS A 104 -13.126 -8.181 13.808 1.00 0.00 N ATOM 0 H LYS A 104 -10.384 -4.008 11.238 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.185 -5.040 13.637 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.682 -7.365 13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.186 -6.489 13.472 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.434 -6.458 10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.014 -7.480 10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.870 -8.969 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.198 -9.132 12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.413 -7.133 12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.839 -8.831 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.813 -8.897 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.180 -8.432 14.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.400 -7.252 14.185 1.00 0.00 H new ATOM 1501 N GLU A 105 -7.351 -6.111 12.053 1.00 0.00 N ATOM 1502 CA GLU A 105 -6.271 -6.526 11.152 1.00 0.00 C ATOM 1503 C GLU A 105 -6.684 -7.830 10.469 1.00 0.00 C ATOM 1504 O GLU A 105 -7.317 -8.671 11.117 1.00 0.00 O ATOM 1505 CB GLU A 105 -5.010 -6.739 12.005 1.00 0.00 C ATOM 1506 CG GLU A 105 -3.751 -7.201 11.247 1.00 0.00 C ATOM 1507 CD GLU A 105 -3.104 -8.421 11.909 1.00 0.00 C ATOM 1508 OE1 GLU A 105 -3.651 -9.541 11.760 1.00 0.00 O ATOM 1509 OE2 GLU A 105 -2.108 -8.239 12.654 1.00 0.00 O ATOM 0 H GLU A 105 -7.177 -6.359 13.027 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.074 -5.775 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.779 -5.804 12.516 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.237 -7.476 12.775 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.015 -7.443 10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.030 -6.384 11.207 1.00 0.00 H new ATOM 1516 N ILE A 106 -6.314 -8.016 9.195 1.00 0.00 N ATOM 1517 CA ILE A 106 -6.514 -9.277 8.477 1.00 0.00 C ATOM 1518 C ILE A 106 -5.327 -9.699 7.595 1.00 0.00 C ATOM 1519 O ILE A 106 -5.258 -10.879 7.244 1.00 0.00 O ATOM 1520 CB ILE A 106 -7.817 -9.261 7.651 1.00 0.00 C ATOM 1521 CG1 ILE A 106 -7.856 -8.121 6.616 1.00 0.00 C ATOM 1522 CG2 ILE A 106 -9.075 -9.184 8.525 1.00 0.00 C ATOM 1523 CD1 ILE A 106 -8.512 -8.604 5.321 1.00 0.00 C ATOM 0 H ILE A 106 -5.866 -7.292 8.633 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.595 -10.032 9.259 1.00 0.00 H new ATOM 0 HB ILE A 106 -7.816 -10.214 7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.411 -7.273 7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.844 -7.772 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.960 -9.176 7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -9.112 -10.049 9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.048 -8.272 9.121 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.533 -7.789 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.940 -9.437 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.531 -8.931 5.529 1.00 0.00 H new ATOM 1535 N GLU A 107 -4.365 -8.831 7.274 1.00 0.00 N ATOM 1536 CA GLU A 107 -3.092 -9.259 6.677 1.00 0.00 C ATOM 1537 C GLU A 107 -1.961 -8.559 7.391 1.00 0.00 C ATOM 1538 O GLU A 107 -2.146 -7.474 7.949 1.00 0.00 O ATOM 1539 CB GLU A 107 -3.033 -9.013 5.163 1.00 0.00 C ATOM 1540 CG GLU A 107 -1.784 -9.560 4.444 1.00 0.00 C ATOM 1541 CD GLU A 107 -0.575 -8.635 4.224 1.00 0.00 C ATOM 1542 OE1 GLU A 107 -0.395 -7.658 4.974 1.00 0.00 O ATOM 1543 OE2 GLU A 107 0.218 -8.961 3.308 1.00 0.00 O ATOM 0 H GLU A 107 -4.441 -7.824 7.417 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.999 -10.338 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.917 -9.459 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.090 -7.939 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.435 -10.426 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.101 -9.922 3.466 1.00 0.00 H new ATOM 1550 N LYS A 108 -0.807 -9.219 7.384 1.00 0.00 N ATOM 1551 CA LYS A 108 0.393 -8.710 7.997 1.00 0.00 C ATOM 1552 C LYS A 108 1.622 -9.365 7.384 1.00 0.00 C ATOM 1553 O LYS A 108 1.774 -10.589 7.453 1.00 0.00 O ATOM 1554 CB LYS A 108 0.328 -8.964 9.521 1.00 0.00 C ATOM 1555 CG LYS A 108 -0.126 -10.408 9.859 1.00 0.00 C ATOM 1556 CD LYS A 108 0.733 -11.192 10.851 1.00 0.00 C ATOM 1557 CE LYS A 108 0.590 -10.664 12.273 1.00 0.00 C ATOM 1558 NZ LYS A 108 1.264 -11.538 13.254 1.00 0.00 N ATOM 0 H LYS A 108 -0.688 -10.132 6.945 1.00 0.00 H new ATOM 0 HA LYS A 108 0.469 -7.637 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.309 -8.782 9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.361 -8.253 9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.141 -10.360 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.172 -10.975 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.448 -12.244 10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.778 -11.137 10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.010 -9.660 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.467 -10.582 12.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.144 -11.145 14.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.846 -12.489 13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.278 -11.596 13.028 1.00 0.00 H new ATOM 1572 N LYS A 109 2.547 -8.583 6.847 1.00 0.00 N ATOM 1573 CA LYS A 109 3.765 -9.091 6.206 1.00 0.00 C ATOM 1574 C LYS A 109 4.950 -8.156 6.435 1.00 0.00 C ATOM 1575 O LYS A 109 4.809 -7.038 6.931 1.00 0.00 O ATOM 1576 CB LYS A 109 3.490 -9.290 4.704 1.00 0.00 C ATOM 1577 CG LYS A 109 3.516 -10.745 4.217 1.00 0.00 C ATOM 1578 CD LYS A 109 4.905 -11.395 4.254 1.00 0.00 C ATOM 1579 CE LYS A 109 4.949 -12.613 3.321 1.00 0.00 C ATOM 1580 NZ LYS A 109 6.320 -13.156 3.172 1.00 0.00 N ATOM 0 H LYS A 109 2.478 -7.565 6.841 1.00 0.00 H new ATOM 0 HA LYS A 109 4.033 -10.048 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 109 2.514 -8.864 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.229 -8.722 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.835 -11.334 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.137 -10.781 3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.661 -10.670 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.144 -11.700 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.293 -13.391 3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.563 -12.332 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.301 -13.977 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.942 -12.423 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.680 -13.449 4.102 1.00 0.00 H new ATOM 1594 N SER A 110 6.134 -8.637 6.071 1.00 0.00 N ATOM 1595 CA SER A 110 7.408 -7.976 6.162 1.00 0.00 C ATOM 1596 C SER A 110 8.267 -8.452 4.982 1.00 0.00 C ATOM 1597 O SER A 110 8.005 -9.522 4.416 1.00 0.00 O ATOM 1598 CB SER A 110 8.027 -8.367 7.503 1.00 0.00 C ATOM 1599 OG SER A 110 7.699 -9.694 7.896 1.00 0.00 O ATOM 0 H SER A 110 6.222 -9.573 5.675 1.00 0.00 H new ATOM 0 HA SER A 110 7.325 -6.890 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.111 -8.269 7.440 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.688 -7.671 8.271 1.00 0.00 H new ATOM 0 HG SER A 110 8.121 -9.894 8.758 1.00 0.00 H new ATOM 1605 N LEU A 111 9.285 -7.677 4.613 1.00 0.00 N ATOM 1606 CA LEU A 111 10.235 -7.936 3.536 1.00 0.00 C ATOM 1607 C LEU A 111 11.558 -7.313 3.937 1.00 0.00 C ATOM 1608 O LEU A 111 11.550 -6.222 4.510 1.00 0.00 O ATOM 1609 CB LEU A 111 9.718 -7.294 2.237 1.00 0.00 C ATOM 1610 CG LEU A 111 10.729 -7.212 1.076 1.00 0.00 C ATOM 1611 CD1 LEU A 111 9.961 -7.383 -0.234 1.00 0.00 C ATOM 1612 CD2 LEU A 111 11.464 -5.861 1.013 1.00 0.00 C ATOM 0 H LEU A 111 9.480 -6.796 5.089 1.00 0.00 H new ATOM 0 HA LEU A 111 10.357 -9.006 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.849 -7.858 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.374 -6.285 2.465 1.00 0.00 H new ATOM 0 HG LEU A 111 11.474 -7.992 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 111 10.655 -7.329 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.461 -8.352 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.218 -6.591 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.162 -5.865 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.739 -5.058 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.013 -5.702 1.941 1.00 0.00 H new ATOM 1827 N ASN A 125 -0.129 -9.554 -4.501 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.322 -9.526 -5.333 1.00 0.00 C ATOM 1829 C ASN A 125 -2.509 -9.906 -4.454 1.00 0.00 C ATOM 1830 O ASN A 125 -2.863 -11.078 -4.334 1.00 0.00 O ATOM 1831 CB ASN A 125 -1.106 -10.437 -6.564 1.00 0.00 C ATOM 1832 CG ASN A 125 -1.282 -9.745 -7.907 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -0.849 -8.499 -8.036 1.00 0.00 O flip ATOM 1834 ND2 ASN A 125 -1.713 -10.382 -8.869 1.00 0.00 N flip ATOM 0 HA ASN A 125 -1.531 -8.537 -5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.101 -10.857 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -1.804 -11.273 -6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.040 -11.340 -8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.743 -9.952 -9.793 1.00 0.00 H new ATOM 1841 N LEU A 126 -3.049 -8.917 -3.741 1.00 0.00 N ATOM 1842 CA LEU A 126 -4.115 -9.071 -2.759 1.00 0.00 C ATOM 1843 C LEU A 126 -5.221 -8.125 -3.227 1.00 0.00 C ATOM 1844 O LEU A 126 -4.949 -6.945 -3.455 1.00 0.00 O ATOM 1845 CB LEU A 126 -3.668 -8.650 -1.344 1.00 0.00 C ATOM 1846 CG LEU A 126 -2.448 -9.270 -0.610 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -2.870 -9.876 0.727 1.00 0.00 C ATOM 1848 CD2 LEU A 126 -1.629 -10.325 -1.351 1.00 0.00 C ATOM 0 H LEU A 126 -2.741 -7.949 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.426 -10.114 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.487 -7.576 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.528 -8.803 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.789 -8.408 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.999 -10.304 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.302 -9.099 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.610 -10.657 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.812 -10.665 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.268 -11.171 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.221 -9.893 -2.265 1.00 0.00 H new ATOM 1860 N TYR A 127 -6.452 -8.605 -3.383 1.00 0.00 N ATOM 1861 CA TYR A 127 -7.555 -7.830 -3.944 1.00 0.00 C ATOM 1862 C TYR A 127 -8.831 -8.229 -3.211 1.00 0.00 C ATOM 1863 O TYR A 127 -9.156 -9.417 -3.122 1.00 0.00 O ATOM 1864 CB TYR A 127 -7.622 -8.101 -5.454 1.00 0.00 C ATOM 1865 CG TYR A 127 -8.857 -7.579 -6.161 1.00 0.00 C ATOM 1866 CD1 TYR A 127 -10.031 -8.353 -6.131 1.00 0.00 C ATOM 1867 CD2 TYR A 127 -8.842 -6.351 -6.856 1.00 0.00 C ATOM 1868 CE1 TYR A 127 -11.180 -7.909 -6.795 1.00 0.00 C ATOM 1869 CE2 TYR A 127 -9.991 -5.908 -7.543 1.00 0.00 C ATOM 1870 CZ TYR A 127 -11.151 -6.717 -7.543 1.00 0.00 C ATOM 1871 OH TYR A 127 -12.256 -6.367 -8.246 1.00 0.00 O ATOM 0 H TYR A 127 -6.715 -9.555 -3.120 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.416 -6.757 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -6.743 -7.659 -5.923 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.562 -9.177 -5.614 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -10.046 -9.291 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.946 -5.748 -6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.093 -8.483 -6.733 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.985 -4.962 -8.063 1.00 0.00 H new ATOM 0 HH TYR A 127 -12.957 -6.073 -7.628 1.00 0.00 H new ATOM 1881 N TYR A 128 -9.558 -7.246 -2.682 1.00 0.00 N ATOM 1882 CA TYR A 128 -10.645 -7.422 -1.735 1.00 0.00 C ATOM 1883 C TYR A 128 -11.859 -6.634 -2.212 1.00 0.00 C ATOM 1884 O TYR A 128 -11.775 -5.427 -2.455 1.00 0.00 O ATOM 1885 CB TYR A 128 -10.212 -6.911 -0.358 1.00 0.00 C ATOM 1886 CG TYR A 128 -9.008 -7.597 0.254 1.00 0.00 C ATOM 1887 CD1 TYR A 128 -9.163 -8.833 0.913 1.00 0.00 C ATOM 1888 CD2 TYR A 128 -7.739 -6.982 0.189 1.00 0.00 C ATOM 1889 CE1 TYR A 128 -8.049 -9.470 1.484 1.00 0.00 C ATOM 1890 CE2 TYR A 128 -6.623 -7.614 0.764 1.00 0.00 C ATOM 1891 CZ TYR A 128 -6.778 -8.865 1.389 1.00 0.00 C ATOM 1892 OH TYR A 128 -5.686 -9.444 1.943 1.00 0.00 O ATOM 0 H TYR A 128 -9.395 -6.266 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 128 -10.900 -8.479 -1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -9.997 -5.846 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -11.053 -7.015 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -10.139 -9.291 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.626 -6.027 -0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -8.165 -10.416 1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.652 -7.142 0.726 1.00 0.00 H new ATOM 0 HH TYR A 128 -5.797 -10.418 1.943 1.00 0.00 H new ATOM 1902 N ASN A 129 -13.010 -7.291 -2.337 1.00 0.00 N ATOM 1903 CA ASN A 129 -14.308 -6.635 -2.475 1.00 0.00 C ATOM 1904 C ASN A 129 -15.380 -7.519 -1.872 1.00 0.00 C ATOM 1905 O ASN A 129 -15.039 -8.622 -1.381 1.00 0.00 O ATOM 1906 CB ASN A 129 -14.613 -6.279 -3.936 1.00 0.00 C ATOM 1907 CG ASN A 129 -15.142 -7.428 -4.773 1.00 0.00 C ATOM 1908 OD1 ASN A 129 -16.285 -7.412 -5.217 1.00 0.00 O ATOM 1909 ND2 ASN A 129 -14.338 -8.453 -5.006 1.00 0.00 N ATOM 0 H ASN A 129 -13.068 -8.309 -2.345 1.00 0.00 H new ATOM 0 HA ASN A 129 -14.287 -5.690 -1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -15.342 -5.469 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -13.703 -5.898 -4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -14.667 -9.243 -5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -13.390 -8.453 -4.630 1.00 0.00 H new