USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 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 Set 1.1: A 41 GLN : amide:sc= -8.87! C(o=-15!,f=-15!) USER MOD Set 1.2: A 45 ASN : amide:sc= -6.56! K(o=-15!,f=-11) USER MOD Set 2.1: A 12 SER OG : rot 140:sc= 0 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 168:sc=-0.00497 (180deg=-0.167) USER MOD Single : A 1 THR OG1 : rot -70:sc= 0.427 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -95:sc= -3.37! USER MOD Single : A 18 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.6) USER MOD Single : A 22 MET CE :methyl -174:sc= -4.72 (180deg=-5.38!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.41) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.42! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.839 USER MOD Single : A 65 MET CE :methyl -158:sc= -0.298 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -14.147 44.710 14.552 1.00 0.00 N ATOM 2 CA THR A 1 -15.508 44.304 14.860 1.00 0.00 C ATOM 3 C THR A 1 -15.962 43.196 13.909 1.00 0.00 C ATOM 4 O THR A 1 -16.890 43.388 13.124 1.00 0.00 O ATOM 5 CB THR A 1 -16.396 45.549 14.811 1.00 0.00 C ATOM 6 OG1 THR A 1 -17.704 45.054 15.085 1.00 0.00 O ATOM 7 CG2 THR A 1 -16.506 46.134 13.402 1.00 0.00 C ATOM 0 H1 THR A 1 -13.923 45.589 15.061 1.00 0.00 H new ATOM 0 H2 THR A 1 -13.487 43.962 14.846 1.00 0.00 H new ATOM 0 H3 THR A 1 -14.056 44.870 13.528 1.00 0.00 H new ATOM 0 HA THR A 1 -15.576 43.878 15.861 1.00 0.00 H new ATOM 0 HB THR A 1 -15.998 46.305 15.488 1.00 0.00 H new ATOM 0 HG1 THR A 1 -18.022 44.528 14.321 1.00 0.00 H new ATOM 0 HG21 THR A 1 -17.147 47.015 13.423 1.00 0.00 H new ATOM 0 HG22 THR A 1 -15.515 46.415 13.046 1.00 0.00 H new ATOM 0 HG23 THR A 1 -16.935 45.389 12.731 1.00 0.00 H new ATOM 15 N TYR A 2 -15.287 42.060 14.009 1.00 0.00 N ATOM 16 CA TYR A 2 -15.609 40.921 13.166 1.00 0.00 C ATOM 17 C TYR A 2 -14.918 39.653 13.671 1.00 0.00 C ATOM 18 O TYR A 2 -14.096 39.711 14.585 1.00 0.00 O ATOM 19 CB TYR A 2 -15.073 41.260 11.774 1.00 0.00 C ATOM 20 CG TYR A 2 -16.080 41.985 10.879 1.00 0.00 C ATOM 21 CD1 TYR A 2 -17.369 41.506 10.763 1.00 0.00 C ATOM 22 CD2 TYR A 2 -15.699 43.117 10.188 1.00 0.00 C ATOM 23 CE1 TYR A 2 -18.317 42.188 9.920 1.00 0.00 C ATOM 24 CE2 TYR A 2 -16.647 43.799 9.345 1.00 0.00 C ATOM 25 CZ TYR A 2 -17.909 43.300 9.253 1.00 0.00 C ATOM 26 OH TYR A 2 -18.804 43.944 8.457 1.00 0.00 O ATOM 0 H TYR A 2 -14.518 41.904 14.661 1.00 0.00 H new ATOM 0 HA TYR A 2 -16.683 40.736 13.166 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.183 41.881 11.880 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.762 40.339 11.281 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -17.667 40.620 11.304 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -14.690 43.492 10.279 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -19.329 41.824 9.820 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -16.362 44.686 8.799 1.00 0.00 H new ATOM 0 HH TYR A 2 -18.374 44.722 8.044 1.00 0.00 H new ATOM 36 N SER A 3 -15.276 38.536 13.054 1.00 0.00 N ATOM 37 CA SER A 3 -14.700 37.256 13.429 1.00 0.00 C ATOM 38 C SER A 3 -14.188 36.528 12.185 1.00 0.00 C ATOM 39 O SER A 3 -14.211 37.079 11.085 1.00 0.00 O ATOM 40 CB SER A 3 -15.721 36.389 14.169 1.00 0.00 C ATOM 41 OG SER A 3 -15.136 35.696 15.268 1.00 0.00 O ATOM 0 H SER A 3 -15.958 38.491 12.297 1.00 0.00 H new ATOM 0 HA SER A 3 -13.864 37.441 14.103 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.536 37.016 14.529 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.155 35.669 13.476 1.00 0.00 H new ATOM 0 HG SER A 3 -15.820 35.155 15.715 1.00 0.00 H new ATOM 47 N LEU A 4 -13.737 35.301 12.400 1.00 0.00 N ATOM 48 CA LEU A 4 -13.219 34.492 11.310 1.00 0.00 C ATOM 49 C LEU A 4 -13.655 33.038 11.508 1.00 0.00 C ATOM 50 O LEU A 4 -13.690 32.545 12.634 1.00 0.00 O ATOM 51 CB LEU A 4 -11.705 34.668 11.184 1.00 0.00 C ATOM 52 CG LEU A 4 -10.854 33.912 12.208 1.00 0.00 C ATOM 53 CD1 LEU A 4 -9.959 32.879 11.521 1.00 0.00 C ATOM 54 CD2 LEU A 4 -10.049 34.883 13.075 1.00 0.00 C ATOM 0 H LEU A 4 -13.720 34.847 13.313 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.635 34.824 10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.404 34.350 10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.475 35.730 11.263 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.523 33.366 12.873 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.365 32.356 12.271 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.578 32.161 10.983 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.295 33.383 10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.453 34.321 13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.389 35.475 12.441 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.731 35.546 13.608 1.00 0.00 H new ATOM 66 N ARG A 5 -13.977 32.394 10.395 1.00 0.00 N ATOM 67 CA ARG A 5 -14.409 31.007 10.432 1.00 0.00 C ATOM 68 C ARG A 5 -13.203 30.073 10.321 1.00 0.00 C ATOM 69 O ARG A 5 -12.059 30.526 10.321 1.00 0.00 O ATOM 70 CB ARG A 5 -15.386 30.705 9.294 1.00 0.00 C ATOM 71 CG ARG A 5 -16.620 29.965 9.814 1.00 0.00 C ATOM 72 CD ARG A 5 -17.402 29.328 8.664 1.00 0.00 C ATOM 73 NE ARG A 5 -17.782 27.941 9.017 1.00 0.00 N ATOM 74 CZ ARG A 5 -18.119 27.004 8.121 1.00 0.00 C ATOM 75 NH1 ARG A 5 -18.126 27.298 6.813 1.00 0.00 N ATOM 76 NH2 ARG A 5 -18.449 25.772 8.532 1.00 0.00 N ATOM 0 H ARG A 5 -13.947 32.807 9.463 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.914 30.842 11.383 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.690 31.635 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.889 30.102 8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -16.315 29.194 10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -17.263 30.659 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -18.295 29.916 8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.797 29.328 7.758 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.787 27.683 10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.875 28.236 6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.383 26.584 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.444 25.548 9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.706 25.058 7.850 1.00 0.00 H new ATOM 90 N THR A 6 -13.499 28.784 10.231 1.00 0.00 N ATOM 91 CA THR A 6 -12.453 27.782 10.120 1.00 0.00 C ATOM 92 C THR A 6 -12.907 26.637 9.213 1.00 0.00 C ATOM 93 O THR A 6 -13.949 26.728 8.565 1.00 0.00 O ATOM 94 CB THR A 6 -12.083 27.327 11.533 1.00 0.00 C ATOM 95 OG1 THR A 6 -13.340 27.101 12.166 1.00 0.00 O ATOM 96 CG2 THR A 6 -11.445 28.445 12.360 1.00 0.00 C ATOM 0 H THR A 6 -14.448 28.411 10.233 1.00 0.00 H new ATOM 0 HA THR A 6 -11.559 28.193 9.651 1.00 0.00 H new ATOM 0 HB THR A 6 -11.397 26.482 11.474 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.193 26.801 13.087 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.202 28.069 13.354 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.534 28.787 11.868 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.144 29.277 12.448 1.00 0.00 H new ATOM 104 N PHE A 7 -12.101 25.585 9.194 1.00 0.00 N ATOM 105 CA PHE A 7 -12.406 24.423 8.376 1.00 0.00 C ATOM 106 C PHE A 7 -12.348 23.138 9.205 1.00 0.00 C ATOM 107 O PHE A 7 -12.184 23.188 10.423 1.00 0.00 O ATOM 108 CB PHE A 7 -11.342 24.357 7.279 1.00 0.00 C ATOM 109 CG PHE A 7 -11.875 24.656 5.876 1.00 0.00 C ATOM 110 CD1 PHE A 7 -12.514 23.684 5.170 1.00 0.00 C ATOM 111 CD2 PHE A 7 -11.710 25.892 5.335 1.00 0.00 C ATOM 112 CE1 PHE A 7 -13.009 23.962 3.868 1.00 0.00 C ATOM 113 CE2 PHE A 7 -12.205 26.170 4.033 1.00 0.00 C ATOM 114 CZ PHE A 7 -12.844 25.199 3.327 1.00 0.00 C ATOM 0 H PHE A 7 -11.237 25.513 9.732 1.00 0.00 H new ATOM 0 HA PHE A 7 -13.411 24.512 7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.548 25.066 7.514 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.893 23.364 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -12.645 22.702 5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.202 26.663 5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.517 23.191 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.074 27.152 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 7 -13.220 25.410 2.337 1.00 0.00 H new ATOM 124 N PHE A 8 -12.484 22.018 8.511 1.00 0.00 N ATOM 125 CA PHE A 8 -12.449 20.722 9.168 1.00 0.00 C ATOM 126 C PHE A 8 -11.056 20.097 9.072 1.00 0.00 C ATOM 127 O PHE A 8 -10.505 19.643 10.074 1.00 0.00 O ATOM 128 CB PHE A 8 -13.450 19.824 8.439 1.00 0.00 C ATOM 129 CG PHE A 8 -14.457 19.136 9.362 1.00 0.00 C ATOM 130 CD1 PHE A 8 -15.618 19.765 9.691 1.00 0.00 C ATOM 131 CD2 PHE A 8 -14.193 17.897 9.855 1.00 0.00 C ATOM 132 CE1 PHE A 8 -16.553 19.127 10.548 1.00 0.00 C ATOM 133 CE2 PHE A 8 -15.128 17.259 10.713 1.00 0.00 C ATOM 134 CZ PHE A 8 -16.288 17.888 11.041 1.00 0.00 C ATOM 0 H PHE A 8 -12.619 21.981 7.501 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.696 20.833 10.224 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -13.993 20.422 7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -12.902 19.062 7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -15.828 20.750 9.300 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -13.272 17.397 9.594 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -17.475 19.626 10.808 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.918 16.275 11.105 1.00 0.00 H new ATOM 0 HZ PHE A 8 -16.999 17.403 11.693 1.00 0.00 H new ATOM 144 N VAL A 9 -10.527 20.092 7.858 1.00 0.00 N ATOM 145 CA VAL A 9 -9.208 19.530 7.618 1.00 0.00 C ATOM 146 C VAL A 9 -9.193 18.067 8.068 1.00 0.00 C ATOM 147 O VAL A 9 -8.852 17.770 9.212 1.00 0.00 O ATOM 148 CB VAL A 9 -8.143 20.380 8.312 1.00 0.00 C ATOM 149 CG1 VAL A 9 -6.864 19.573 8.546 1.00 0.00 C ATOM 150 CG2 VAL A 9 -7.850 21.652 7.514 1.00 0.00 C ATOM 0 H VAL A 9 -10.987 20.468 7.029 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.974 19.546 6.554 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.534 20.678 9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.123 20.201 9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.087 18.711 9.175 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.469 19.231 7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.089 22.238 8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.490 21.384 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.762 22.242 7.422 1.00 0.00 H new ATOM 160 N ARG A 10 -9.567 17.193 7.145 1.00 0.00 N ATOM 161 CA ARG A 10 -9.600 15.770 7.432 1.00 0.00 C ATOM 162 C ARG A 10 -9.426 14.964 6.144 1.00 0.00 C ATOM 163 O ARG A 10 -8.442 14.243 5.986 1.00 0.00 O ATOM 164 CB ARG A 10 -10.919 15.373 8.100 1.00 0.00 C ATOM 165 CG ARG A 10 -10.674 14.784 9.490 1.00 0.00 C ATOM 166 CD ARG A 10 -11.996 14.530 10.218 1.00 0.00 C ATOM 167 NE ARG A 10 -12.115 13.097 10.566 1.00 0.00 N ATOM 168 CZ ARG A 10 -13.211 12.542 11.101 1.00 0.00 C ATOM 169 NH1 ARG A 10 -14.289 13.296 11.353 1.00 0.00 N ATOM 170 NH2 ARG A 10 -13.228 11.232 11.385 1.00 0.00 N ATOM 0 H ARG A 10 -9.850 17.444 6.198 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.779 15.551 8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.567 16.246 8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.440 14.644 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.119 13.850 9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.058 15.467 10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.045 15.137 11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.832 14.830 9.586 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.312 12.494 10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.276 14.293 11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.123 12.873 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.407 10.658 11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.062 10.809 11.792 1.00 0.00 H new ATOM 184 N GLU A 11 -10.397 15.113 5.255 1.00 0.00 N ATOM 185 CA GLU A 11 -10.364 14.408 3.984 1.00 0.00 C ATOM 186 C GLU A 11 -9.720 13.031 4.159 1.00 0.00 C ATOM 187 O GLU A 11 -9.816 12.427 5.226 1.00 0.00 O ATOM 188 CB GLU A 11 -9.628 15.227 2.922 1.00 0.00 C ATOM 189 CG GLU A 11 -8.121 15.242 3.188 1.00 0.00 C ATOM 190 CD GLU A 11 -7.675 16.601 3.731 1.00 0.00 C ATOM 191 OE1 GLU A 11 -8.242 17.013 4.766 1.00 0.00 O ATOM 192 OE2 GLU A 11 -6.776 17.197 3.099 1.00 0.00 O ATOM 0 H GLU A 11 -11.212 15.712 5.389 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.389 14.268 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.822 14.808 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.010 16.248 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.866 14.459 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.583 15.020 2.266 1.00 0.00 H new ATOM 199 N SER A 12 -9.077 12.574 3.094 1.00 0.00 N ATOM 200 CA SER A 12 -8.417 11.280 3.115 1.00 0.00 C ATOM 201 C SER A 12 -7.132 11.334 2.286 1.00 0.00 C ATOM 202 O SER A 12 -6.567 12.406 2.079 1.00 0.00 O ATOM 203 CB SER A 12 -9.343 10.181 2.590 1.00 0.00 C ATOM 204 OG SER A 12 -9.393 9.060 3.468 1.00 0.00 O ATOM 0 H SER A 12 -8.999 13.078 2.210 1.00 0.00 H new ATOM 0 HA SER A 12 -8.165 11.041 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.347 10.585 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.000 9.857 1.607 1.00 0.00 H new ATOM 0 HG SER A 12 -10.313 8.727 3.521 1.00 0.00 H new ATOM 210 N ALA A 13 -6.709 10.163 1.833 1.00 0.00 N ATOM 211 CA ALA A 13 -5.502 10.062 1.031 1.00 0.00 C ATOM 212 C ALA A 13 -5.625 10.983 -0.185 1.00 0.00 C ATOM 213 O ALA A 13 -5.501 12.200 -0.062 1.00 0.00 O ATOM 214 CB ALA A 13 -5.271 8.602 0.636 1.00 0.00 C ATOM 0 H ALA A 13 -7.181 9.276 2.006 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.633 10.385 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.365 8.527 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.161 7.995 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.122 8.243 0.057 1.00 0.00 H new ATOM 220 N GLU A 14 -5.868 10.366 -1.332 1.00 0.00 N ATOM 221 CA GLU A 14 -6.010 11.114 -2.570 1.00 0.00 C ATOM 222 C GLU A 14 -4.746 11.932 -2.842 1.00 0.00 C ATOM 223 O GLU A 14 -4.183 12.535 -1.930 1.00 0.00 O ATOM 224 CB GLU A 14 -7.246 12.014 -2.528 1.00 0.00 C ATOM 225 CG GLU A 14 -7.422 12.767 -3.848 1.00 0.00 C ATOM 226 CD GLU A 14 -8.163 14.087 -3.632 1.00 0.00 C ATOM 227 OE1 GLU A 14 -7.499 15.042 -3.173 1.00 0.00 O ATOM 228 OE2 GLU A 14 -9.376 14.113 -3.931 1.00 0.00 O ATOM 0 H GLU A 14 -5.970 9.356 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.145 10.405 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.132 11.412 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.154 12.727 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.446 12.962 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.975 12.147 -4.554 1.00 0.00 H new ATOM 235 N GLY A 15 -4.336 11.926 -4.102 1.00 0.00 N ATOM 236 CA GLY A 15 -3.149 12.660 -4.507 1.00 0.00 C ATOM 237 C GLY A 15 -1.909 12.143 -3.776 1.00 0.00 C ATOM 238 O GLY A 15 -0.845 12.757 -3.838 1.00 0.00 O ATOM 0 H GLY A 15 -4.805 11.424 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.007 12.564 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.284 13.721 -4.297 1.00 0.00 H new ATOM 242 N LEU A 16 -2.086 11.017 -3.100 1.00 0.00 N ATOM 243 CA LEU A 16 -0.995 10.409 -2.359 1.00 0.00 C ATOM 244 C LEU A 16 0.293 10.510 -3.179 1.00 0.00 C ATOM 245 O LEU A 16 0.254 10.476 -4.408 1.00 0.00 O ATOM 246 CB LEU A 16 -1.354 8.978 -1.952 1.00 0.00 C ATOM 247 CG LEU A 16 -0.682 8.453 -0.682 1.00 0.00 C ATOM 248 CD1 LEU A 16 -0.485 9.575 0.339 1.00 0.00 C ATOM 249 CD2 LEU A 16 -1.462 7.275 -0.096 1.00 0.00 C ATOM 0 H LEU A 16 -2.970 10.510 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.823 10.947 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.434 8.920 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.098 8.312 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 16 0.308 8.083 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.005 9.174 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.144 10.353 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.453 9.998 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.963 6.921 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.474 7.596 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.506 6.468 -0.827 1.00 0.00 H new ATOM 261 N THR A 17 1.403 10.633 -2.467 1.00 0.00 N ATOM 262 CA THR A 17 2.699 10.739 -3.114 1.00 0.00 C ATOM 263 C THR A 17 3.336 9.356 -3.264 1.00 0.00 C ATOM 264 O THR A 17 3.006 8.433 -2.520 1.00 0.00 O ATOM 265 CB THR A 17 3.553 11.717 -2.304 1.00 0.00 C ATOM 266 OG1 THR A 17 3.283 11.373 -0.948 1.00 0.00 O ATOM 267 CG2 THR A 17 3.065 13.162 -2.427 1.00 0.00 C ATOM 0 H THR A 17 1.432 10.662 -1.448 1.00 0.00 H new ATOM 0 HA THR A 17 2.604 11.129 -4.127 1.00 0.00 H new ATOM 0 HB THR A 17 4.589 11.655 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.574 11.952 -0.599 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.706 13.814 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.102 13.471 -3.472 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.040 13.232 -2.064 1.00 0.00 H new ATOM 275 N GLN A 18 4.237 9.256 -4.230 1.00 0.00 N ATOM 276 CA GLN A 18 4.923 8.001 -4.486 1.00 0.00 C ATOM 277 C GLN A 18 5.733 7.578 -3.259 1.00 0.00 C ATOM 278 O GLN A 18 5.862 6.388 -2.976 1.00 0.00 O ATOM 279 CB GLN A 18 5.817 8.108 -5.723 1.00 0.00 C ATOM 280 CG GLN A 18 6.926 9.140 -5.511 1.00 0.00 C ATOM 281 CD GLN A 18 7.202 9.921 -6.797 1.00 0.00 C ATOM 282 OE1 GLN A 18 6.301 10.342 -7.504 1.00 0.00 O ATOM 283 NE2 GLN A 18 8.495 10.090 -7.060 1.00 0.00 N ATOM 0 H GLN A 18 4.508 10.023 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 18 4.174 7.234 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.258 7.136 -5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.215 8.388 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.639 9.830 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.837 8.638 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.198 9.711 -6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.783 10.598 -7.896 1.00 0.00 H new ATOM 292 N GLY A 19 6.258 8.576 -2.563 1.00 0.00 N ATOM 293 CA GLY A 19 7.052 8.323 -1.373 1.00 0.00 C ATOM 294 C GLY A 19 6.162 7.913 -0.198 1.00 0.00 C ATOM 295 O GLY A 19 6.510 7.012 0.564 1.00 0.00 O ATOM 0 H GLY A 19 6.149 9.562 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.778 7.536 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.617 9.218 -1.111 1.00 0.00 H new ATOM 299 N GLU A 20 5.031 8.593 -0.088 1.00 0.00 N ATOM 300 CA GLU A 20 4.089 8.311 0.982 1.00 0.00 C ATOM 301 C GLU A 20 3.542 6.888 0.846 1.00 0.00 C ATOM 302 O GLU A 20 3.434 6.164 1.834 1.00 0.00 O ATOM 303 CB GLU A 20 2.953 9.336 0.997 1.00 0.00 C ATOM 304 CG GLU A 20 3.382 10.620 1.708 1.00 0.00 C ATOM 305 CD GLU A 20 3.182 10.502 3.221 1.00 0.00 C ATOM 306 OE1 GLU A 20 2.007 10.382 3.630 1.00 0.00 O ATOM 307 OE2 GLU A 20 4.208 10.536 3.933 1.00 0.00 O ATOM 0 H GLU A 20 4.745 9.339 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 20 4.616 8.388 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.652 9.565 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.083 8.912 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.430 10.827 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.805 11.462 1.326 1.00 0.00 H new ATOM 314 N LEU A 21 3.211 6.531 -0.386 1.00 0.00 N ATOM 315 CA LEU A 21 2.678 5.208 -0.664 1.00 0.00 C ATOM 316 C LEU A 21 3.640 4.151 -0.118 1.00 0.00 C ATOM 317 O LEU A 21 3.210 3.169 0.487 1.00 0.00 O ATOM 318 CB LEU A 21 2.378 5.054 -2.157 1.00 0.00 C ATOM 319 CG LEU A 21 0.898 4.982 -2.539 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.104 4.175 -1.509 1.00 0.00 C ATOM 321 CD2 LEU A 21 0.315 6.382 -2.743 1.00 0.00 C ATOM 0 H LEU A 21 3.302 7.135 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 21 1.725 5.066 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.829 5.893 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.870 4.149 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 21 0.817 4.458 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.945 4.139 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.501 3.161 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.190 4.649 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.738 6.302 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.410 6.954 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.857 6.889 -3.541 1.00 0.00 H new ATOM 333 N MET A 22 4.922 4.386 -0.352 1.00 0.00 N ATOM 334 CA MET A 22 5.948 3.466 0.109 1.00 0.00 C ATOM 335 C MET A 22 5.856 3.256 1.622 1.00 0.00 C ATOM 336 O MET A 22 5.643 2.136 2.084 1.00 0.00 O ATOM 337 CB MET A 22 7.329 4.022 -0.246 1.00 0.00 C ATOM 338 CG MET A 22 7.580 3.945 -1.753 1.00 0.00 C ATOM 339 SD MET A 22 7.436 2.256 -2.311 1.00 0.00 S ATOM 340 CE MET A 22 8.270 1.416 -0.975 1.00 0.00 C ATOM 0 H MET A 22 5.274 5.200 -0.855 1.00 0.00 H new ATOM 0 HA MET A 22 5.796 2.505 -0.383 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.405 5.057 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.098 3.460 0.284 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.863 4.574 -2.282 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.573 4.330 -1.985 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.365 0.357 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.261 1.848 -0.836 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.693 1.530 -0.057 1.00 0.00 H new ATOM 350 N LYS A 23 6.021 4.349 2.351 1.00 0.00 N ATOM 351 CA LYS A 23 5.960 4.298 3.802 1.00 0.00 C ATOM 352 C LYS A 23 4.585 3.782 4.232 1.00 0.00 C ATOM 353 O LYS A 23 4.443 3.207 5.310 1.00 0.00 O ATOM 354 CB LYS A 23 6.320 5.659 4.402 1.00 0.00 C ATOM 355 CG LYS A 23 7.827 5.913 4.319 1.00 0.00 C ATOM 356 CD LYS A 23 8.119 7.380 4.001 1.00 0.00 C ATOM 357 CE LYS A 23 7.821 8.272 5.208 1.00 0.00 C ATOM 358 NZ LYS A 23 7.845 9.699 4.817 1.00 0.00 N ATOM 0 H LYS A 23 6.197 5.276 1.964 1.00 0.00 H new ATOM 0 HA LYS A 23 6.700 3.598 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.785 6.447 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.998 5.699 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.298 5.641 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.265 5.276 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.164 7.492 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.516 7.699 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.845 8.019 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.557 8.091 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.641 10.290 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.785 9.941 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.126 9.871 4.085 1.00 0.00 H new ATOM 372 N LEU A 24 3.607 4.005 3.366 1.00 0.00 N ATOM 373 CA LEU A 24 2.249 3.570 3.642 1.00 0.00 C ATOM 374 C LEU A 24 2.204 2.041 3.672 1.00 0.00 C ATOM 375 O LEU A 24 1.599 1.451 4.566 1.00 0.00 O ATOM 376 CB LEU A 24 1.272 4.194 2.643 1.00 0.00 C ATOM 377 CG LEU A 24 -0.170 4.355 3.127 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.006 5.134 2.110 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.792 2.997 3.459 1.00 0.00 C ATOM 0 H LEU A 24 3.729 4.482 2.472 1.00 0.00 H new ATOM 0 HA LEU A 24 1.930 3.919 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.651 5.176 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.265 3.582 1.741 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.158 4.938 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.027 5.234 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.574 6.124 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.014 4.600 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.817 3.140 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.791 2.369 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.212 2.513 4.245 1.00 0.00 H new ATOM 391 N ILE A 25 2.853 1.442 2.684 1.00 0.00 N ATOM 392 CA ILE A 25 2.895 -0.007 2.586 1.00 0.00 C ATOM 393 C ILE A 25 3.734 -0.567 3.736 1.00 0.00 C ATOM 394 O ILE A 25 3.341 -1.538 4.380 1.00 0.00 O ATOM 395 CB ILE A 25 3.385 -0.436 1.201 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.217 -0.562 0.221 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.204 -1.725 1.285 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.720 -0.725 -1.214 1.00 0.00 C ATOM 0 H ILE A 25 3.354 1.934 1.944 1.00 0.00 H new ATOM 0 HA ILE A 25 1.894 -0.425 2.688 1.00 0.00 H new ATOM 0 HB ILE A 25 4.046 0.341 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.600 -1.418 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.583 0.322 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.540 -2.008 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.070 -1.565 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.587 -2.522 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.869 -0.812 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.316 0.144 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.333 -1.623 -1.285 1.00 0.00 H new ATOM 410 N LYS A 26 4.876 0.068 3.958 1.00 0.00 N ATOM 411 CA LYS A 26 5.774 -0.355 5.019 1.00 0.00 C ATOM 412 C LYS A 26 5.077 -0.181 6.370 1.00 0.00 C ATOM 413 O LYS A 26 5.224 -1.017 7.261 1.00 0.00 O ATOM 414 CB LYS A 26 7.110 0.383 4.916 1.00 0.00 C ATOM 415 CG LYS A 26 8.186 -0.312 5.752 1.00 0.00 C ATOM 416 CD LYS A 26 8.413 0.422 7.075 1.00 0.00 C ATOM 417 CE LYS A 26 9.100 -0.486 8.096 1.00 0.00 C ATOM 418 NZ LYS A 26 8.238 -0.676 9.284 1.00 0.00 N ATOM 0 H LYS A 26 5.200 0.872 3.421 1.00 0.00 H new ATOM 0 HA LYS A 26 6.013 -1.414 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.426 0.427 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.988 1.412 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.889 -1.342 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.119 -0.352 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.023 1.308 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.458 0.765 7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.321 -1.452 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.053 -0.050 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.720 -1.295 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.048 0.246 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.340 -1.113 8.995 1.00 0.00 H new ATOM 432 N GLU A 27 4.334 0.911 6.481 1.00 0.00 N ATOM 433 CA GLU A 27 3.615 1.205 7.709 1.00 0.00 C ATOM 434 C GLU A 27 2.704 0.035 8.084 1.00 0.00 C ATOM 435 O GLU A 27 2.562 -0.294 9.261 1.00 0.00 O ATOM 436 CB GLU A 27 2.815 2.503 7.578 1.00 0.00 C ATOM 437 CG GLU A 27 3.610 3.694 8.115 1.00 0.00 C ATOM 438 CD GLU A 27 2.688 4.876 8.420 1.00 0.00 C ATOM 439 OE1 GLU A 27 2.477 5.686 7.491 1.00 0.00 O ATOM 440 OE2 GLU A 27 2.215 4.944 9.575 1.00 0.00 O ATOM 0 H GLU A 27 4.215 1.602 5.741 1.00 0.00 H new ATOM 0 HA GLU A 27 4.342 1.344 8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.560 2.673 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.876 2.412 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.144 3.402 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.361 3.993 7.384 1.00 0.00 H new ATOM 447 N ILE A 28 2.110 -0.563 7.061 1.00 0.00 N ATOM 448 CA ILE A 28 1.217 -1.690 7.268 1.00 0.00 C ATOM 449 C ILE A 28 2.022 -2.887 7.777 1.00 0.00 C ATOM 450 O ILE A 28 1.504 -3.718 8.521 1.00 0.00 O ATOM 451 CB ILE A 28 0.418 -1.982 5.996 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.854 -1.133 5.941 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.116 -3.476 5.870 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.677 0.057 4.996 1.00 0.00 C ATOM 0 H ILE A 28 2.230 -0.288 6.086 1.00 0.00 H new ATOM 0 HA ILE A 28 0.478 -1.454 8.034 1.00 0.00 H new ATOM 0 HB ILE A 28 1.028 -1.703 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.691 -1.746 5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.100 -0.775 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.453 -3.657 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.051 -4.034 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.466 -3.803 6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.595 0.644 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.145 0.681 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.455 -0.305 3.992 1.00 0.00 H new ATOM 466 N VAL A 29 3.277 -2.937 7.355 1.00 0.00 N ATOM 467 CA VAL A 29 4.160 -4.019 7.759 1.00 0.00 C ATOM 468 C VAL A 29 4.891 -3.623 9.043 1.00 0.00 C ATOM 469 O VAL A 29 5.728 -4.373 9.542 1.00 0.00 O ATOM 470 CB VAL A 29 5.112 -4.372 6.614 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.736 -5.753 6.827 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.397 -4.296 5.264 1.00 0.00 C ATOM 0 H VAL A 29 3.704 -2.246 6.738 1.00 0.00 H new ATOM 0 HA VAL A 29 3.586 -4.920 7.977 1.00 0.00 H new ATOM 0 HB VAL A 29 5.917 -3.637 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.408 -5.980 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.296 -5.759 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.948 -6.505 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.096 -4.551 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.563 -4.998 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.022 -3.285 5.107 1.00 0.00 H new ATOM 482 N GLU A 30 4.547 -2.445 9.543 1.00 0.00 N ATOM 483 CA GLU A 30 5.160 -1.940 10.759 1.00 0.00 C ATOM 484 C GLU A 30 4.680 -2.745 11.969 1.00 0.00 C ATOM 485 O GLU A 30 5.395 -2.865 12.963 1.00 0.00 O ATOM 486 CB GLU A 30 4.869 -0.449 10.942 1.00 0.00 C ATOM 487 CG GLU A 30 5.601 0.107 12.165 1.00 0.00 C ATOM 488 CD GLU A 30 6.262 1.449 11.846 1.00 0.00 C ATOM 489 OE1 GLU A 30 5.786 2.103 10.893 1.00 0.00 O ATOM 490 OE2 GLU A 30 7.228 1.791 12.561 1.00 0.00 O ATOM 0 H GLU A 30 3.851 -1.826 9.127 1.00 0.00 H new ATOM 0 HA GLU A 30 6.240 -2.058 10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.177 0.097 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.796 -0.296 11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.898 0.231 12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.357 -0.605 12.495 1.00 0.00 H new ATOM 497 N ASN A 31 3.472 -3.276 11.845 1.00 0.00 N ATOM 498 CA ASN A 31 2.888 -4.066 12.915 1.00 0.00 C ATOM 499 C ASN A 31 2.202 -5.296 12.319 1.00 0.00 C ATOM 500 O ASN A 31 1.035 -5.561 12.606 1.00 0.00 O ATOM 501 CB ASN A 31 1.836 -3.262 13.682 1.00 0.00 C ATOM 502 CG ASN A 31 0.821 -2.633 12.724 1.00 0.00 C ATOM 503 OD1 ASN A 31 1.065 -1.611 12.104 1.00 0.00 O ATOM 504 ND2 ASN A 31 -0.327 -3.299 12.639 1.00 0.00 N ATOM 0 H ASN A 31 2.882 -3.174 11.019 1.00 0.00 H new ATOM 0 HA ASN A 31 3.688 -4.355 13.596 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.320 -3.912 14.389 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.324 -2.481 14.265 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.069 -2.960 12.027 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.465 -4.149 13.186 1.00 0.00 H new ATOM 511 N GLU A 32 2.955 -6.016 11.500 1.00 0.00 N ATOM 512 CA GLU A 32 2.434 -7.212 10.861 1.00 0.00 C ATOM 513 C GLU A 32 2.055 -8.254 11.915 1.00 0.00 C ATOM 514 O GLU A 32 1.809 -7.913 13.071 1.00 0.00 O ATOM 515 CB GLU A 32 3.442 -7.784 9.863 1.00 0.00 C ATOM 516 CG GLU A 32 4.634 -8.414 10.587 1.00 0.00 C ATOM 517 CD GLU A 32 4.969 -9.786 9.999 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.008 -10.502 9.643 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.179 -10.089 9.919 1.00 0.00 O ATOM 0 H GLU A 32 3.922 -5.794 11.264 1.00 0.00 H new ATOM 0 HA GLU A 32 1.536 -6.942 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.955 -8.532 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.792 -6.993 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.501 -7.758 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.408 -8.515 11.649 1.00 0.00 H new ATOM 526 N ASP A 33 2.019 -9.505 11.479 1.00 0.00 N ATOM 527 CA ASP A 33 1.673 -10.599 12.370 1.00 0.00 C ATOM 528 C ASP A 33 2.126 -11.921 11.746 1.00 0.00 C ATOM 529 O ASP A 33 2.350 -11.998 10.539 1.00 0.00 O ATOM 530 CB ASP A 33 0.161 -10.674 12.591 1.00 0.00 C ATOM 531 CG ASP A 33 -0.267 -11.039 14.014 1.00 0.00 C ATOM 532 OD1 ASP A 33 -0.195 -10.138 14.877 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.657 -12.211 14.206 1.00 0.00 O ATOM 0 H ASP A 33 2.224 -9.785 10.520 1.00 0.00 H new ATOM 0 HA ASP A 33 2.168 -10.425 13.325 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.277 -9.710 12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.256 -11.409 11.902 1.00 0.00 H new ATOM 538 N LYS A 34 2.245 -12.930 12.597 1.00 0.00 N ATOM 539 CA LYS A 34 2.667 -14.245 12.145 1.00 0.00 C ATOM 540 C LYS A 34 1.566 -14.857 11.276 1.00 0.00 C ATOM 541 O LYS A 34 1.732 -14.998 10.066 1.00 0.00 O ATOM 542 CB LYS A 34 3.068 -15.118 13.335 1.00 0.00 C ATOM 543 CG LYS A 34 4.588 -15.284 13.406 1.00 0.00 C ATOM 544 CD LYS A 34 5.005 -16.695 12.987 1.00 0.00 C ATOM 545 CE LYS A 34 6.504 -16.911 13.206 1.00 0.00 C ATOM 546 NZ LYS A 34 6.735 -17.843 14.332 1.00 0.00 N ATOM 0 H LYS A 34 2.056 -12.863 13.597 1.00 0.00 H new ATOM 0 HA LYS A 34 3.559 -14.167 11.523 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.704 -14.669 14.259 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.595 -16.096 13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.068 -14.551 12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.932 -15.085 14.421 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.440 -17.430 13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.761 -16.854 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.956 -17.310 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.989 -15.956 13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.757 -17.978 14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.321 -17.448 15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.289 -18.759 14.122 1.00 0.00 H new ATOM 560 N ARG A 35 0.467 -15.205 11.929 1.00 0.00 N ATOM 561 CA ARG A 35 -0.661 -15.799 11.231 1.00 0.00 C ATOM 562 C ARG A 35 -1.320 -14.769 10.313 1.00 0.00 C ATOM 563 O ARG A 35 -2.174 -15.114 9.498 1.00 0.00 O ATOM 564 CB ARG A 35 -1.702 -16.331 12.219 1.00 0.00 C ATOM 565 CG ARG A 35 -2.037 -17.795 11.927 1.00 0.00 C ATOM 566 CD ARG A 35 -1.915 -18.648 13.192 1.00 0.00 C ATOM 567 NE ARG A 35 -2.745 -19.866 13.062 1.00 0.00 N ATOM 568 CZ ARG A 35 -2.414 -20.925 12.310 1.00 0.00 C ATOM 569 NH1 ARG A 35 -1.268 -20.921 11.616 1.00 0.00 N ATOM 570 NH2 ARG A 35 -3.229 -21.987 12.253 1.00 0.00 N ATOM 0 H ARG A 35 0.333 -15.087 12.933 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.282 -16.630 10.637 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.324 -16.237 13.237 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.608 -15.728 12.158 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.050 -17.868 11.531 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.366 -18.179 11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.873 -18.923 13.356 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.233 -18.072 14.061 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.625 -19.902 13.577 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.648 -20.112 11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.016 -21.727 11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.101 -21.989 12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.977 -22.793 11.681 1.00 0.00 H new ATOM 584 N LYS A 36 -0.899 -13.523 10.476 1.00 0.00 N ATOM 585 CA LYS A 36 -1.437 -12.440 9.671 1.00 0.00 C ATOM 586 C LYS A 36 -0.295 -11.525 9.224 1.00 0.00 C ATOM 587 O LYS A 36 -0.087 -10.459 9.800 1.00 0.00 O ATOM 588 CB LYS A 36 -2.548 -11.710 10.429 1.00 0.00 C ATOM 589 CG LYS A 36 -3.854 -11.719 9.632 1.00 0.00 C ATOM 590 CD LYS A 36 -4.805 -12.800 10.149 1.00 0.00 C ATOM 591 CE LYS A 36 -6.264 -12.393 9.939 1.00 0.00 C ATOM 592 NZ LYS A 36 -7.107 -12.892 11.049 1.00 0.00 N ATOM 0 H LYS A 36 -0.191 -13.240 11.154 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.903 -12.833 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.706 -12.185 11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.244 -10.682 10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.334 -10.743 9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.639 -11.893 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.608 -13.740 9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.621 -12.974 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.339 -11.307 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.626 -12.792 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.094 -12.607 10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.049 -13.930 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.771 -12.491 11.948 1.00 0.00 H new ATOM 606 N PRO A 37 0.435 -11.989 8.174 1.00 0.00 N ATOM 607 CA PRO A 37 1.551 -11.225 7.643 1.00 0.00 C ATOM 608 C PRO A 37 1.057 -10.034 6.819 1.00 0.00 C ATOM 609 O PRO A 37 -0.084 -9.601 6.969 1.00 0.00 O ATOM 610 CB PRO A 37 2.355 -12.221 6.824 1.00 0.00 C ATOM 611 CG PRO A 37 1.417 -13.384 6.544 1.00 0.00 C ATOM 612 CD PRO A 37 0.217 -13.248 7.467 1.00 0.00 C ATOM 0 HA PRO A 37 2.168 -10.782 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.706 -11.770 5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.237 -12.554 7.370 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.099 -13.376 5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.924 -14.333 6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.716 -13.230 6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.154 -14.086 8.161 1.00 0.00 H new ATOM 620 N TYR A 38 1.942 -9.538 5.966 1.00 0.00 N ATOM 621 CA TYR A 38 1.610 -8.405 5.118 1.00 0.00 C ATOM 622 C TYR A 38 2.435 -8.425 3.830 1.00 0.00 C ATOM 623 O TYR A 38 3.165 -7.479 3.541 1.00 0.00 O ATOM 624 CB TYR A 38 1.974 -7.156 5.923 1.00 0.00 C ATOM 625 CG TYR A 38 0.854 -6.657 6.838 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.453 -6.656 6.392 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.149 -6.210 8.110 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.507 -6.187 7.254 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.095 -5.740 8.971 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.181 -5.752 8.501 1.00 0.00 C ATOM 631 OH TYR A 38 -2.177 -5.309 9.314 1.00 0.00 O ATOM 0 H TYR A 38 2.888 -9.900 5.844 1.00 0.00 H new ATOM 0 HA TYR A 38 0.557 -8.430 4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.855 -7.370 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.248 -6.358 5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.685 -7.007 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.171 -6.213 8.460 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.533 -6.181 6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.313 -5.386 9.968 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.798 -5.031 10.174 1.00 0.00 H new ATOM 641 N SER A 39 2.290 -9.514 3.089 1.00 0.00 N ATOM 642 CA SER A 39 3.012 -9.670 1.838 1.00 0.00 C ATOM 643 C SER A 39 2.386 -8.784 0.759 1.00 0.00 C ATOM 644 O SER A 39 1.483 -7.998 1.042 1.00 0.00 O ATOM 645 CB SER A 39 3.021 -11.132 1.386 1.00 0.00 C ATOM 646 OG SER A 39 3.419 -11.266 0.024 1.00 0.00 O ATOM 0 H SER A 39 1.683 -10.297 3.331 1.00 0.00 H new ATOM 0 HA SER A 39 4.045 -9.361 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.699 -11.704 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.026 -11.558 1.517 1.00 0.00 H new ATOM 0 HG SER A 39 3.414 -12.213 -0.227 1.00 0.00 H new ATOM 652 N ASP A 40 2.890 -8.941 -0.456 1.00 0.00 N ATOM 653 CA ASP A 40 2.392 -8.166 -1.580 1.00 0.00 C ATOM 654 C ASP A 40 0.902 -8.453 -1.771 1.00 0.00 C ATOM 655 O ASP A 40 0.136 -7.562 -2.135 1.00 0.00 O ATOM 656 CB ASP A 40 3.116 -8.543 -2.874 1.00 0.00 C ATOM 657 CG ASP A 40 2.583 -9.796 -3.571 1.00 0.00 C ATOM 658 OD1 ASP A 40 1.608 -9.647 -4.339 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.164 -10.874 -3.321 1.00 0.00 O ATOM 0 H ASP A 40 3.639 -9.594 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 40 2.565 -7.111 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.050 -7.704 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.173 -8.691 -2.652 1.00 0.00 H new ATOM 664 N GLN A 41 0.535 -9.700 -1.516 1.00 0.00 N ATOM 665 CA GLN A 41 -0.851 -10.116 -1.656 1.00 0.00 C ATOM 666 C GLN A 41 -1.729 -9.387 -0.637 1.00 0.00 C ATOM 667 O GLN A 41 -2.749 -8.801 -0.998 1.00 0.00 O ATOM 668 CB GLN A 41 -0.985 -11.633 -1.509 1.00 0.00 C ATOM 669 CG GLN A 41 -2.165 -11.994 -0.604 1.00 0.00 C ATOM 670 CD GLN A 41 -3.489 -11.537 -1.219 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.566 -11.153 -2.375 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.523 -11.599 -0.385 1.00 0.00 N ATOM 0 H GLN A 41 1.173 -10.436 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.191 -9.849 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.123 -12.086 -2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.065 -12.045 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.188 -13.072 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.034 -11.529 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.389 -11.930 0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.451 -11.315 -0.701 1.00 0.00 H new ATOM 681 N GLU A 42 -1.301 -9.446 0.615 1.00 0.00 N ATOM 682 CA GLU A 42 -2.036 -8.799 1.688 1.00 0.00 C ATOM 683 C GLU A 42 -2.078 -7.286 1.465 1.00 0.00 C ATOM 684 O GLU A 42 -3.136 -6.725 1.183 1.00 0.00 O ATOM 685 CB GLU A 42 -1.427 -9.135 3.051 1.00 0.00 C ATOM 686 CG GLU A 42 -2.516 -9.294 4.114 1.00 0.00 C ATOM 687 CD GLU A 42 -2.026 -10.163 5.275 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.123 -10.990 5.023 1.00 0.00 O ATOM 689 OE2 GLU A 42 -2.566 -9.980 6.387 1.00 0.00 O ATOM 0 H GLU A 42 -0.454 -9.932 0.911 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.058 -9.177 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.848 -10.056 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.736 -8.347 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.810 -8.313 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.403 -9.744 3.667 1.00 0.00 H new ATOM 696 N ILE A 43 -0.914 -6.667 1.600 1.00 0.00 N ATOM 697 CA ILE A 43 -0.805 -5.230 1.416 1.00 0.00 C ATOM 698 C ILE A 43 -1.641 -4.810 0.206 1.00 0.00 C ATOM 699 O ILE A 43 -2.387 -3.834 0.271 1.00 0.00 O ATOM 700 CB ILE A 43 0.664 -4.812 1.323 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.147 -4.210 2.644 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.891 -3.864 0.144 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.627 -4.520 2.880 1.00 0.00 C ATOM 0 H ILE A 43 -0.038 -7.135 1.835 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.209 -4.704 2.281 1.00 0.00 H new ATOM 0 HB ILE A 43 1.262 -5.704 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.995 -3.131 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.553 -4.607 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.943 -3.582 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.611 -4.363 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.281 -2.970 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.944 -4.081 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.771 -5.600 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.221 -4.101 2.068 1.00 0.00 H new ATOM 715 N ALA A 44 -1.489 -5.567 -0.871 1.00 0.00 N ATOM 716 CA ALA A 44 -2.221 -5.285 -2.094 1.00 0.00 C ATOM 717 C ALA A 44 -3.722 -5.290 -1.797 1.00 0.00 C ATOM 718 O ALA A 44 -4.453 -4.418 -2.264 1.00 0.00 O ATOM 719 CB ALA A 44 -1.835 -6.305 -3.166 1.00 0.00 C ATOM 0 H ALA A 44 -0.869 -6.376 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.964 -4.297 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.384 -6.094 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.764 -6.241 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.081 -7.308 -2.819 1.00 0.00 H new ATOM 725 N ASN A 45 -4.136 -6.282 -1.023 1.00 0.00 N ATOM 726 CA ASN A 45 -5.537 -6.412 -0.659 1.00 0.00 C ATOM 727 C ASN A 45 -5.926 -5.262 0.272 1.00 0.00 C ATOM 728 O ASN A 45 -7.047 -4.758 0.206 1.00 0.00 O ATOM 729 CB ASN A 45 -5.794 -7.726 0.081 1.00 0.00 C ATOM 730 CG ASN A 45 -6.128 -8.852 -0.900 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.272 -9.238 -1.075 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.069 -9.354 -1.529 1.00 0.00 N ATOM 0 H ASN A 45 -3.526 -7.003 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.127 -6.393 -1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.914 -7.997 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.616 -7.596 0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.188 -10.109 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.138 -8.984 -1.335 1.00 0.00 H new ATOM 739 N ILE A 46 -4.980 -4.880 1.116 1.00 0.00 N ATOM 740 CA ILE A 46 -5.210 -3.798 2.059 1.00 0.00 C ATOM 741 C ILE A 46 -5.689 -2.559 1.300 1.00 0.00 C ATOM 742 O ILE A 46 -6.635 -1.895 1.721 1.00 0.00 O ATOM 743 CB ILE A 46 -3.961 -3.554 2.909 1.00 0.00 C ATOM 744 CG1 ILE A 46 -3.673 -4.751 3.817 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.084 -2.250 3.701 1.00 0.00 C ATOM 746 CD1 ILE A 46 -2.798 -4.342 5.003 1.00 0.00 C ATOM 0 H ILE A 46 -4.052 -5.300 1.167 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.999 -4.066 2.762 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.108 -3.446 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.611 -5.170 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.174 -5.534 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.184 -2.100 4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.206 -1.415 3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.950 -2.305 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.609 -5.212 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.851 -3.946 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.310 -3.577 5.586 1.00 0.00 H new ATOM 758 N LEU A 47 -5.014 -2.284 0.193 1.00 0.00 N ATOM 759 CA LEU A 47 -5.358 -1.137 -0.629 1.00 0.00 C ATOM 760 C LEU A 47 -6.863 -1.147 -0.906 1.00 0.00 C ATOM 761 O LEU A 47 -7.510 -0.101 -0.882 1.00 0.00 O ATOM 762 CB LEU A 47 -4.500 -1.107 -1.895 1.00 0.00 C ATOM 763 CG LEU A 47 -5.096 -1.793 -3.126 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.888 -0.799 -3.978 1.00 0.00 C ATOM 765 CD2 LEU A 47 -4.010 -2.505 -3.936 1.00 0.00 C ATOM 0 H LEU A 47 -4.230 -2.837 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.136 -0.210 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.296 -0.066 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.541 -1.575 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.797 -2.556 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.301 -1.312 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.700 -0.378 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.228 0.002 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.460 -2.984 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.267 -1.779 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.528 -3.260 -3.314 1.00 0.00 H new ATOM 777 N LYS A 48 -7.376 -2.341 -1.164 1.00 0.00 N ATOM 778 CA LYS A 48 -8.793 -2.502 -1.446 1.00 0.00 C ATOM 779 C LYS A 48 -9.607 -1.948 -0.275 1.00 0.00 C ATOM 780 O LYS A 48 -10.752 -1.533 -0.452 1.00 0.00 O ATOM 781 CB LYS A 48 -9.110 -3.960 -1.781 1.00 0.00 C ATOM 782 CG LYS A 48 -9.599 -4.097 -3.225 1.00 0.00 C ATOM 783 CD LYS A 48 -11.127 -4.163 -3.282 1.00 0.00 C ATOM 784 CE LYS A 48 -11.593 -5.333 -4.150 1.00 0.00 C ATOM 785 NZ LYS A 48 -13.034 -5.595 -3.936 1.00 0.00 N ATOM 0 H LYS A 48 -6.836 -3.206 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.074 -1.929 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.220 -4.572 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.872 -4.337 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.246 -3.251 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.176 -4.996 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.528 -4.271 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.520 -3.229 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.410 -5.109 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.015 -6.225 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.334 -6.392 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.200 -5.829 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.582 -4.748 -4.188 1.00 0.00 H new ATOM 799 N GLU A 49 -8.985 -1.960 0.895 1.00 0.00 N ATOM 800 CA GLU A 49 -9.638 -1.465 2.094 1.00 0.00 C ATOM 801 C GLU A 49 -9.921 0.033 1.964 1.00 0.00 C ATOM 802 O GLU A 49 -10.645 0.605 2.779 1.00 0.00 O ATOM 803 CB GLU A 49 -8.797 -1.758 3.338 1.00 0.00 C ATOM 804 CG GLU A 49 -7.820 -0.615 3.620 1.00 0.00 C ATOM 805 CD GLU A 49 -8.399 0.361 4.647 1.00 0.00 C ATOM 806 OE1 GLU A 49 -8.678 -0.101 5.775 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.551 1.546 4.281 1.00 0.00 O ATOM 0 H GLU A 49 -8.036 -2.305 1.038 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.588 -1.986 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.451 -1.903 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.245 -2.687 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.878 -1.020 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.598 -0.085 2.694 1.00 0.00 H new ATOM 814 N LYS A 50 -9.336 0.626 0.934 1.00 0.00 N ATOM 815 CA LYS A 50 -9.517 2.047 0.687 1.00 0.00 C ATOM 816 C LYS A 50 -9.800 2.270 -0.800 1.00 0.00 C ATOM 817 O LYS A 50 -10.691 3.038 -1.157 1.00 0.00 O ATOM 818 CB LYS A 50 -8.316 2.838 1.210 1.00 0.00 C ATOM 819 CG LYS A 50 -8.692 4.299 1.467 1.00 0.00 C ATOM 820 CD LYS A 50 -9.414 4.451 2.807 1.00 0.00 C ATOM 821 CE LYS A 50 -10.902 4.739 2.598 1.00 0.00 C ATOM 822 NZ LYS A 50 -11.274 6.026 3.228 1.00 0.00 N ATOM 0 H LYS A 50 -8.736 0.149 0.261 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.381 2.422 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.951 2.385 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.502 2.790 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.793 4.916 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.332 4.661 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.295 3.540 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.960 5.260 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.126 4.771 1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.498 3.932 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.287 6.206 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.079 5.982 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.718 6.795 2.802 1.00 0.00 H new ATOM 836 N GLY A 51 -9.024 1.583 -1.626 1.00 0.00 N ATOM 837 CA GLY A 51 -9.180 1.697 -3.067 1.00 0.00 C ATOM 838 C GLY A 51 -8.070 2.558 -3.672 1.00 0.00 C ATOM 839 O GLY A 51 -8.272 3.206 -4.699 1.00 0.00 O ATOM 0 H GLY A 51 -8.286 0.946 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.162 0.705 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.151 2.135 -3.298 1.00 0.00 H new ATOM 843 N PHE A 52 -6.922 2.538 -3.011 1.00 0.00 N ATOM 844 CA PHE A 52 -5.780 3.310 -3.472 1.00 0.00 C ATOM 845 C PHE A 52 -5.417 2.945 -4.913 1.00 0.00 C ATOM 846 O PHE A 52 -6.139 2.194 -5.567 1.00 0.00 O ATOM 847 CB PHE A 52 -4.605 2.958 -2.558 1.00 0.00 C ATOM 848 CG PHE A 52 -4.627 3.681 -1.209 1.00 0.00 C ATOM 849 CD1 PHE A 52 -4.217 4.975 -1.125 1.00 0.00 C ATOM 850 CD2 PHE A 52 -5.056 3.029 -0.095 1.00 0.00 C ATOM 851 CE1 PHE A 52 -4.237 5.646 0.126 1.00 0.00 C ATOM 852 CE2 PHE A 52 -5.076 3.700 1.156 1.00 0.00 C ATOM 853 CZ PHE A 52 -4.666 4.994 1.240 1.00 0.00 C ATOM 0 H PHE A 52 -6.758 2.000 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.014 4.374 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.604 1.882 -2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.674 3.197 -3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.876 5.492 -2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.381 2.001 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.912 6.674 0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.417 3.183 2.041 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.681 5.504 2.192 1.00 0.00 H new ATOM 863 N LYS A 53 -4.299 3.494 -5.364 1.00 0.00 N ATOM 864 CA LYS A 53 -3.832 3.236 -6.716 1.00 0.00 C ATOM 865 C LYS A 53 -2.673 2.238 -6.668 1.00 0.00 C ATOM 866 O LYS A 53 -1.620 2.475 -7.259 1.00 0.00 O ATOM 867 CB LYS A 53 -3.485 4.548 -7.422 1.00 0.00 C ATOM 868 CG LYS A 53 -3.909 4.508 -8.892 1.00 0.00 C ATOM 869 CD LYS A 53 -4.427 5.872 -9.351 1.00 0.00 C ATOM 870 CE LYS A 53 -5.419 5.722 -10.506 1.00 0.00 C ATOM 871 NZ LYS A 53 -6.644 6.510 -10.244 1.00 0.00 N ATOM 0 H LYS A 53 -3.703 4.116 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.622 2.780 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.981 5.378 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.412 4.729 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.062 4.210 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.685 3.755 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.909 6.381 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.590 6.496 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.957 6.055 -11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.677 4.671 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.306 6.397 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.093 6.173 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.395 7.515 -10.141 1.00 0.00 H new ATOM 885 N VAL A 54 -2.906 1.143 -5.960 1.00 0.00 N ATOM 886 CA VAL A 54 -1.894 0.108 -5.827 1.00 0.00 C ATOM 887 C VAL A 54 -2.348 -1.142 -6.584 1.00 0.00 C ATOM 888 O VAL A 54 -3.465 -1.190 -7.096 1.00 0.00 O ATOM 889 CB VAL A 54 -1.609 -0.158 -4.348 1.00 0.00 C ATOM 890 CG1 VAL A 54 -0.112 -0.364 -4.107 1.00 0.00 C ATOM 891 CG2 VAL A 54 -2.156 0.970 -3.472 1.00 0.00 C ATOM 0 H VAL A 54 -3.781 0.950 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.953 0.433 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.123 -1.077 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.064 -0.551 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.236 -1.217 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.432 0.530 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.940 0.755 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.684 1.911 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.234 1.048 -3.611 1.00 0.00 H new ATOM 901 N ALA A 55 -1.458 -2.122 -6.630 1.00 0.00 N ATOM 902 CA ALA A 55 -1.752 -3.369 -7.315 1.00 0.00 C ATOM 903 C ALA A 55 -0.552 -4.310 -7.192 1.00 0.00 C ATOM 904 O ALA A 55 0.577 -3.860 -7.005 1.00 0.00 O ATOM 905 CB ALA A 55 -2.117 -3.077 -8.772 1.00 0.00 C ATOM 0 H ALA A 55 -0.532 -2.078 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.608 -3.865 -6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.338 -4.012 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.993 -2.429 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.281 -2.581 -9.264 1.00 0.00 H new ATOM 911 N ARG A 56 -0.838 -5.599 -7.301 1.00 0.00 N ATOM 912 CA ARG A 56 0.204 -6.607 -7.204 1.00 0.00 C ATOM 913 C ARG A 56 1.510 -6.081 -7.803 1.00 0.00 C ATOM 914 O ARG A 56 2.577 -6.239 -7.212 1.00 0.00 O ATOM 915 CB ARG A 56 -0.202 -7.891 -7.931 1.00 0.00 C ATOM 916 CG ARG A 56 -1.433 -8.524 -7.279 1.00 0.00 C ATOM 917 CD ARG A 56 -1.079 -9.141 -5.924 1.00 0.00 C ATOM 918 NE ARG A 56 -2.260 -9.115 -5.033 1.00 0.00 N ATOM 919 CZ ARG A 56 -3.334 -9.902 -5.185 1.00 0.00 C ATOM 920 NH1 ARG A 56 -3.382 -10.782 -6.194 1.00 0.00 N ATOM 921 NH2 ARG A 56 -4.360 -9.809 -4.327 1.00 0.00 N ATOM 0 H ARG A 56 -1.776 -5.968 -7.456 1.00 0.00 H new ATOM 0 HA ARG A 56 0.350 -6.832 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.413 -7.670 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.627 -8.599 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.208 -7.769 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.843 -9.291 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.738 -10.167 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.257 -8.590 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.256 -8.457 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.601 -10.853 -6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.199 -11.381 -6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.323 -9.139 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.177 -10.408 -4.443 1.00 0.00 H new ATOM 935 N ARG A 57 1.382 -5.465 -8.970 1.00 0.00 N ATOM 936 CA ARG A 57 2.538 -4.914 -9.656 1.00 0.00 C ATOM 937 C ARG A 57 3.209 -3.845 -8.791 1.00 0.00 C ATOM 938 O ARG A 57 4.405 -3.925 -8.516 1.00 0.00 O ATOM 939 CB ARG A 57 2.141 -4.299 -10.999 1.00 0.00 C ATOM 940 CG ARG A 57 3.107 -4.726 -12.105 1.00 0.00 C ATOM 941 CD ARG A 57 4.523 -4.220 -11.822 1.00 0.00 C ATOM 942 NE ARG A 57 5.309 -4.186 -13.076 1.00 0.00 N ATOM 943 CZ ARG A 57 5.169 -3.250 -14.024 1.00 0.00 C ATOM 944 NH1 ARG A 57 4.272 -2.267 -13.868 1.00 0.00 N ATOM 945 NH2 ARG A 57 5.925 -3.298 -15.130 1.00 0.00 N ATOM 0 H ARG A 57 0.495 -5.336 -9.457 1.00 0.00 H new ATOM 0 HA ARG A 57 3.236 -5.731 -9.837 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.128 -4.606 -11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.134 -3.212 -10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.115 -5.813 -12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.763 -4.337 -13.063 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.481 -3.223 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.011 -4.869 -11.095 1.00 0.00 H new ATOM 0 HE ARG A 57 6.000 -4.921 -13.228 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.696 -2.231 -13.027 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.166 -1.554 -14.590 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.607 -4.047 -15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.818 -2.585 -15.852 1.00 0.00 H new ATOM 959 N THR A 58 2.409 -2.869 -8.388 1.00 0.00 N ATOM 960 CA THR A 58 2.911 -1.784 -7.560 1.00 0.00 C ATOM 961 C THR A 58 3.468 -2.332 -6.245 1.00 0.00 C ATOM 962 O THR A 58 4.526 -1.901 -5.788 1.00 0.00 O ATOM 963 CB THR A 58 1.778 -0.775 -7.367 1.00 0.00 C ATOM 964 OG1 THR A 58 1.899 0.102 -8.484 1.00 0.00 O ATOM 965 CG2 THR A 58 2.002 0.133 -6.156 1.00 0.00 C ATOM 0 H THR A 58 1.417 -2.806 -8.619 1.00 0.00 H new ATOM 0 HA THR A 58 3.744 -1.271 -8.041 1.00 0.00 H new ATOM 0 HB THR A 58 0.834 -1.308 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.200 0.788 -8.439 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.169 0.830 -6.065 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.068 -0.474 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.929 0.691 -6.286 1.00 0.00 H new ATOM 973 N VAL A 59 2.731 -3.273 -5.673 1.00 0.00 N ATOM 974 CA VAL A 59 3.139 -3.883 -4.419 1.00 0.00 C ATOM 975 C VAL A 59 4.441 -4.658 -4.633 1.00 0.00 C ATOM 976 O VAL A 59 5.375 -4.539 -3.841 1.00 0.00 O ATOM 977 CB VAL A 59 2.008 -4.756 -3.870 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.167 -4.975 -2.364 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.641 -4.150 -4.195 1.00 0.00 C ATOM 0 H VAL A 59 1.854 -3.628 -6.055 1.00 0.00 H new ATOM 0 HA VAL A 59 3.336 -3.118 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 59 2.068 -5.729 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.351 -5.598 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.118 -5.470 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.146 -4.013 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.145 -4.790 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.566 -3.159 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.527 -4.069 -5.276 1.00 0.00 H new ATOM 989 N ALA A 60 4.462 -5.432 -5.708 1.00 0.00 N ATOM 990 CA ALA A 60 5.634 -6.226 -6.036 1.00 0.00 C ATOM 991 C ALA A 60 6.859 -5.312 -6.109 1.00 0.00 C ATOM 992 O ALA A 60 7.927 -5.659 -5.608 1.00 0.00 O ATOM 993 CB ALA A 60 5.390 -6.980 -7.345 1.00 0.00 C ATOM 0 H ALA A 60 3.686 -5.526 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 60 5.823 -6.970 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.269 -7.576 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.527 -7.636 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.200 -6.266 -8.146 1.00 0.00 H new ATOM 999 N LYS A 61 6.663 -4.162 -6.737 1.00 0.00 N ATOM 1000 CA LYS A 61 7.738 -3.196 -6.882 1.00 0.00 C ATOM 1001 C LYS A 61 8.156 -2.692 -5.499 1.00 0.00 C ATOM 1002 O LYS A 61 9.346 -2.596 -5.203 1.00 0.00 O ATOM 1003 CB LYS A 61 7.329 -2.079 -7.845 1.00 0.00 C ATOM 1004 CG LYS A 61 8.492 -1.692 -8.761 1.00 0.00 C ATOM 1005 CD LYS A 61 7.991 -0.935 -9.993 1.00 0.00 C ATOM 1006 CE LYS A 61 9.064 -0.888 -11.082 1.00 0.00 C ATOM 1007 NZ LYS A 61 9.359 0.512 -11.460 1.00 0.00 N ATOM 0 H LYS A 61 5.775 -3.878 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 61 8.614 -3.666 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.481 -2.405 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.002 -1.207 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.201 -1.072 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.027 -2.589 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.095 -1.418 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.709 0.080 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.973 -1.374 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.727 -1.444 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.089 0.525 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.494 0.964 -11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.701 1.032 -10.627 1.00 0.00 H new ATOM 1021 N TYR A 62 7.154 -2.385 -4.688 1.00 0.00 N ATOM 1022 CA TYR A 62 7.402 -1.895 -3.343 1.00 0.00 C ATOM 1023 C TYR A 62 8.039 -2.980 -2.473 1.00 0.00 C ATOM 1024 O TYR A 62 8.941 -2.698 -1.685 1.00 0.00 O ATOM 1025 CB TYR A 62 6.031 -1.535 -2.766 1.00 0.00 C ATOM 1026 CG TYR A 62 5.529 -0.149 -3.175 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.618 0.257 -4.491 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.986 0.696 -2.228 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.145 1.562 -4.876 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.513 2.000 -2.613 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.616 2.369 -3.918 1.00 0.00 C ATOM 1032 OH TYR A 62 4.169 3.601 -4.282 1.00 0.00 O ATOM 0 H TYR A 62 6.168 -2.466 -4.937 1.00 0.00 H new ATOM 0 HA TYR A 62 8.083 -1.045 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.305 -2.282 -3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.081 -1.586 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.042 -0.404 -5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.916 0.379 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.209 1.892 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.086 2.670 -1.882 1.00 0.00 H new ATOM 0 HH TYR A 62 3.855 3.574 -5.210 1.00 0.00 H new ATOM 1042 N ARG A 63 7.546 -4.197 -2.645 1.00 0.00 N ATOM 1043 CA ARG A 63 8.056 -5.326 -1.885 1.00 0.00 C ATOM 1044 C ARG A 63 9.584 -5.279 -1.826 1.00 0.00 C ATOM 1045 O ARG A 63 10.178 -5.553 -0.784 1.00 0.00 O ATOM 1046 CB ARG A 63 7.617 -6.653 -2.507 1.00 0.00 C ATOM 1047 CG ARG A 63 8.159 -7.839 -1.707 1.00 0.00 C ATOM 1048 CD ARG A 63 7.037 -8.814 -1.344 1.00 0.00 C ATOM 1049 NE ARG A 63 7.589 -9.964 -0.594 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.326 -10.937 -1.147 1.00 0.00 C ATOM 1051 NH1 ARG A 63 8.604 -10.905 -2.457 1.00 0.00 N ATOM 1052 NH2 ARG A 63 8.785 -11.942 -0.389 1.00 0.00 N ATOM 0 H ARG A 63 6.798 -4.427 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 63 7.648 -5.258 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.529 -6.700 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.972 -6.711 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.921 -8.357 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.641 -7.479 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.283 -8.306 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.541 -9.164 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 63 7.397 -10.020 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.255 -10.140 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.165 -11.646 -2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.573 -11.966 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.346 -12.683 -0.809 1.00 0.00 H new ATOM 1066 N GLU A 64 10.178 -4.929 -2.958 1.00 0.00 N ATOM 1067 CA GLU A 64 11.625 -4.842 -3.048 1.00 0.00 C ATOM 1068 C GLU A 64 12.138 -3.656 -2.230 1.00 0.00 C ATOM 1069 O GLU A 64 13.196 -3.737 -1.608 1.00 0.00 O ATOM 1070 CB GLU A 64 12.079 -4.740 -4.506 1.00 0.00 C ATOM 1071 CG GLU A 64 13.581 -5.002 -4.632 1.00 0.00 C ATOM 1072 CD GLU A 64 14.053 -4.799 -6.074 1.00 0.00 C ATOM 1073 OE1 GLU A 64 14.309 -3.628 -6.428 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.147 -5.820 -6.789 1.00 0.00 O ATOM 0 H GLU A 64 9.683 -4.702 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 64 12.050 -5.756 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.529 -5.459 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.845 -3.749 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.128 -4.332 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.805 -6.020 -4.312 1.00 0.00 H new ATOM 1081 N MET A 65 11.364 -2.580 -2.257 1.00 0.00 N ATOM 1082 CA MET A 65 11.727 -1.379 -1.526 1.00 0.00 C ATOM 1083 C MET A 65 11.662 -1.615 -0.015 1.00 0.00 C ATOM 1084 O MET A 65 12.499 -1.111 0.732 1.00 0.00 O ATOM 1085 CB MET A 65 10.776 -0.242 -1.906 1.00 0.00 C ATOM 1086 CG MET A 65 11.322 0.556 -3.091 1.00 0.00 C ATOM 1087 SD MET A 65 10.962 -0.294 -4.619 1.00 0.00 S ATOM 1088 CE MET A 65 9.518 0.612 -5.145 1.00 0.00 C ATOM 0 H MET A 65 10.487 -2.516 -2.774 1.00 0.00 H new ATOM 0 HA MET A 65 12.750 -1.112 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.797 -0.651 -2.158 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.635 0.420 -1.051 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.877 1.551 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.399 0.690 -2.985 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.940 0.003 -5.840 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.904 0.854 -4.277 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.827 1.533 -5.640 1.00 0.00 H new ATOM 1098 N LEU A 66 10.660 -2.382 0.388 1.00 0.00 N ATOM 1099 CA LEU A 66 10.475 -2.692 1.796 1.00 0.00 C ATOM 1100 C LEU A 66 11.379 -3.865 2.179 1.00 0.00 C ATOM 1101 O LEU A 66 12.286 -3.714 2.996 1.00 0.00 O ATOM 1102 CB LEU A 66 8.995 -2.930 2.102 1.00 0.00 C ATOM 1103 CG LEU A 66 8.080 -1.709 1.984 1.00 0.00 C ATOM 1104 CD1 LEU A 66 8.882 -0.411 2.096 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.255 -1.764 0.697 1.00 0.00 C ATOM 0 H LEU A 66 9.968 -2.798 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 66 10.772 -1.845 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.625 -3.703 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.913 -3.324 3.115 1.00 0.00 H new ATOM 0 HG LEU A 66 7.377 -1.727 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.208 0.442 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.387 -0.377 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.623 -0.371 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.614 -0.885 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.924 -1.783 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.639 -2.663 0.698 1.00 0.00 H new ATOM 1117 N GLY A 67 11.099 -5.009 1.571 1.00 0.00 N ATOM 1118 CA GLY A 67 11.876 -6.207 1.838 1.00 0.00 C ATOM 1119 C GLY A 67 13.018 -6.356 0.831 1.00 0.00 C ATOM 1120 O GLY A 67 14.167 -6.041 1.139 1.00 0.00 O ATOM 0 H GLY A 67 10.345 -5.131 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.281 -6.164 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.229 -7.083 1.791 1.00 0.00 H new TER 1124 GLY A 67