USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 588 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 31 ASN : amide:sc= 1.48 K(o=2.3,f=-4.5) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 150:sc= 0.785 (180deg=-0.175) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 SER OG : rot 83:sc= 1.2 USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.678) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.046 (180deg=-0.331) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 26:sc= 0.614 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.092 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 48 SER OG : rot 173:sc= -1.13 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.22 K(o=1.2,f=-4.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 47:sc= 1.16 USER MOD Single : A 68 THR OG1 : rot 77:sc= 0.846 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.36) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 77 ASN : amide:sc= 1.04 K(o=1,f=-4.8!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 8:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 28.533 2.692 -2.234 1.00 0.00 N ATOM 2 CA LYS A 15 28.006 2.267 -0.917 1.00 0.00 C ATOM 3 C LYS A 15 27.809 0.757 -0.878 1.00 0.00 C ATOM 4 O LYS A 15 27.487 0.146 -1.898 1.00 0.00 O ATOM 5 CB LYS A 15 26.663 2.945 -0.635 1.00 0.00 C ATOM 6 CG LYS A 15 25.609 2.650 -1.692 1.00 0.00 C ATOM 7 CD LYS A 15 24.207 2.745 -1.123 1.00 0.00 C ATOM 8 CE LYS A 15 23.154 2.542 -2.198 1.00 0.00 C ATOM 9 NZ LYS A 15 21.795 2.377 -1.622 1.00 0.00 N ATOM 0 HA LYS A 15 28.732 2.559 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 15 26.295 2.617 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 15 26.814 4.023 -0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 15 25.715 3.352 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 15 25.770 1.652 -2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 15 24.079 1.996 -0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 15 24.068 3.720 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.159 3.395 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 15 23.406 1.662 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.082 2.579 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.678 1.401 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.673 3.036 -0.827 1.00 0.00 H new ATOM 25 N PRO A 16 28.011 0.132 0.291 1.00 0.00 N ATOM 26 CA PRO A 16 27.682 -1.279 0.489 1.00 0.00 C ATOM 27 C PRO A 16 26.169 -1.481 0.524 1.00 0.00 C ATOM 28 O PRO A 16 25.482 -0.942 1.393 1.00 0.00 O ATOM 29 CB PRO A 16 28.308 -1.609 1.847 1.00 0.00 C ATOM 30 CG PRO A 16 28.364 -0.304 2.563 1.00 0.00 C ATOM 31 CD PRO A 16 28.584 0.743 1.506 1.00 0.00 C ATOM 0 HA PRO A 16 28.052 -1.918 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 16 27.707 -2.336 2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 16 29.302 -2.040 1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 16 27.439 -0.119 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 16 29.172 -0.295 3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 16 28.085 1.679 1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 16 29.643 0.970 1.380 1.00 0.00 H new ATOM 39 N GLU A 17 25.649 -2.237 -0.427 1.00 0.00 N ATOM 40 CA GLU A 17 24.214 -2.410 -0.547 1.00 0.00 C ATOM 41 C GLU A 17 23.749 -3.517 0.385 1.00 0.00 C ATOM 42 O GLU A 17 23.801 -4.703 0.049 1.00 0.00 O ATOM 43 CB GLU A 17 23.823 -2.729 -1.991 1.00 0.00 C ATOM 44 CG GLU A 17 22.370 -2.414 -2.308 1.00 0.00 C ATOM 45 CD GLU A 17 22.080 -0.925 -2.281 1.00 0.00 C ATOM 46 OE1 GLU A 17 22.177 -0.279 -3.344 1.00 0.00 O ATOM 47 OE2 GLU A 17 21.757 -0.387 -1.199 1.00 0.00 O ATOM 0 H GLU A 17 26.198 -2.739 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 17 23.726 -1.477 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.465 -2.164 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.008 -3.786 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.122 -2.812 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.726 -2.920 -1.588 1.00 0.00 H new ATOM 54 N VAL A 18 23.335 -3.116 1.571 1.00 0.00 N ATOM 55 CA VAL A 18 22.900 -4.049 2.597 1.00 0.00 C ATOM 56 C VAL A 18 21.387 -4.232 2.553 1.00 0.00 C ATOM 57 O VAL A 18 20.875 -5.327 2.786 1.00 0.00 O ATOM 58 CB VAL A 18 23.327 -3.561 3.997 1.00 0.00 C ATOM 59 CG1 VAL A 18 22.958 -4.578 5.068 1.00 0.00 C ATOM 60 CG2 VAL A 18 24.821 -3.271 4.019 1.00 0.00 C ATOM 0 H VAL A 18 23.290 -2.137 1.852 1.00 0.00 H new ATOM 0 HA VAL A 18 23.377 -5.009 2.399 1.00 0.00 H new ATOM 0 HB VAL A 18 22.790 -2.639 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.271 -4.208 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.879 -4.732 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.460 -5.523 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 18 25.110 -2.927 5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 18 25.372 -4.179 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 18 25.052 -2.498 3.286 1.00 0.00 H new ATOM 70 N GLU A 19 20.682 -3.158 2.240 1.00 0.00 N ATOM 71 CA GLU A 19 19.230 -3.198 2.138 1.00 0.00 C ATOM 72 C GLU A 19 18.789 -2.598 0.809 1.00 0.00 C ATOM 73 O GLU A 19 19.614 -2.360 -0.072 1.00 0.00 O ATOM 74 CB GLU A 19 18.579 -2.438 3.304 1.00 0.00 C ATOM 75 CG GLU A 19 18.899 -0.951 3.330 1.00 0.00 C ATOM 76 CD GLU A 19 18.131 -0.206 4.403 1.00 0.00 C ATOM 77 OE1 GLU A 19 16.968 0.177 4.158 1.00 0.00 O ATOM 78 OE2 GLU A 19 18.690 0.008 5.499 1.00 0.00 O ATOM 0 H GLU A 19 21.092 -2.243 2.051 1.00 0.00 H new ATOM 0 HA GLU A 19 18.908 -4.238 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.498 -2.565 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.905 -2.886 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.968 -0.816 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.669 -0.517 2.357 1.00 0.00 H new ATOM 85 N HIS A 20 17.494 -2.387 0.655 1.00 0.00 N ATOM 86 CA HIS A 20 16.974 -1.694 -0.512 1.00 0.00 C ATOM 87 C HIS A 20 16.676 -0.249 -0.146 1.00 0.00 C ATOM 88 O HIS A 20 16.617 0.087 1.034 1.00 0.00 O ATOM 89 CB HIS A 20 15.715 -2.383 -1.047 1.00 0.00 C ATOM 90 CG HIS A 20 15.979 -3.731 -1.647 1.00 0.00 C ATOM 91 ND1 HIS A 20 15.452 -4.900 -1.142 1.00 0.00 N ATOM 92 CD2 HIS A 20 16.713 -4.090 -2.728 1.00 0.00 C ATOM 93 CE1 HIS A 20 15.851 -5.917 -1.883 1.00 0.00 C ATOM 94 NE2 HIS A 20 16.616 -5.453 -2.851 1.00 0.00 N ATOM 0 H HIS A 20 16.783 -2.685 1.323 1.00 0.00 H new ATOM 0 HA HIS A 20 17.725 -1.721 -1.302 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.996 -2.490 -0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 20 15.253 -1.744 -1.799 1.00 0.00 H new ATOM 0 HD2 HIS A 20 17.271 -3.427 -3.373 1.00 0.00 H new ATOM 0 HE1 HIS A 20 15.594 -6.954 -1.723 1.00 0.00 H new ATOM 0 HE2 HIS A 20 17.063 -6.016 -3.574 1.00 0.00 H new ATOM 103 N THR A 21 16.508 0.601 -1.150 1.00 0.00 N ATOM 104 CA THR A 21 16.243 2.017 -0.923 1.00 0.00 C ATOM 105 C THR A 21 14.952 2.211 -0.121 1.00 0.00 C ATOM 106 O THR A 21 13.850 2.168 -0.674 1.00 0.00 O ATOM 107 CB THR A 21 16.150 2.765 -2.267 1.00 0.00 C ATOM 108 OG1 THR A 21 17.303 2.458 -3.063 1.00 0.00 O ATOM 109 CG2 THR A 21 16.064 4.270 -2.060 1.00 0.00 C ATOM 0 H THR A 21 16.551 0.334 -2.134 1.00 0.00 H new ATOM 0 HA THR A 21 17.070 2.429 -0.345 1.00 0.00 H new ATOM 0 HB THR A 21 15.243 2.440 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.245 2.931 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.000 4.767 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.178 4.506 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.953 4.616 -1.533 1.00 0.00 H new ATOM 117 N HIS A 22 15.094 2.416 1.189 1.00 0.00 N ATOM 118 CA HIS A 22 13.936 2.499 2.073 1.00 0.00 C ATOM 119 C HIS A 22 13.166 3.787 1.845 1.00 0.00 C ATOM 120 O HIS A 22 11.975 3.852 2.123 1.00 0.00 O ATOM 121 CB HIS A 22 14.328 2.363 3.555 1.00 0.00 C ATOM 122 CG HIS A 22 15.011 3.560 4.160 1.00 0.00 C ATOM 123 ND1 HIS A 22 14.400 4.377 5.088 1.00 0.00 N ATOM 124 CD2 HIS A 22 16.257 4.062 3.988 1.00 0.00 C ATOM 125 CE1 HIS A 22 15.239 5.325 5.459 1.00 0.00 C ATOM 126 NE2 HIS A 22 16.370 5.156 4.807 1.00 0.00 N ATOM 0 H HIS A 22 15.994 2.527 1.657 1.00 0.00 H new ATOM 0 HA HIS A 22 13.289 1.658 1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.428 2.150 4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.986 1.500 3.661 1.00 0.00 H new ATOM 0 HD2 HIS A 22 17.019 3.673 3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 22 15.033 6.106 6.175 1.00 0.00 H new ATOM 0 HE2 HIS A 22 17.198 5.745 4.897 1.00 0.00 H new ATOM 135 N SER A 23 13.844 4.805 1.332 1.00 0.00 N ATOM 136 CA SER A 23 13.185 6.060 1.011 1.00 0.00 C ATOM 137 C SER A 23 12.184 5.850 -0.120 1.00 0.00 C ATOM 138 O SER A 23 11.120 6.470 -0.148 1.00 0.00 O ATOM 139 CB SER A 23 14.219 7.115 0.624 1.00 0.00 C ATOM 140 OG SER A 23 15.183 7.274 1.652 1.00 0.00 O ATOM 0 H SER A 23 14.844 4.785 1.131 1.00 0.00 H new ATOM 0 HA SER A 23 12.646 6.413 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.713 6.824 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.722 8.066 0.435 1.00 0.00 H new ATOM 0 HG SER A 23 15.837 7.953 1.385 1.00 0.00 H new ATOM 146 N GLU A 24 12.522 4.940 -1.028 1.00 0.00 N ATOM 147 CA GLU A 24 11.660 4.622 -2.155 1.00 0.00 C ATOM 148 C GLU A 24 10.437 3.849 -1.673 1.00 0.00 C ATOM 149 O GLU A 24 9.314 4.099 -2.110 1.00 0.00 O ATOM 150 CB GLU A 24 12.432 3.809 -3.194 1.00 0.00 C ATOM 151 CG GLU A 24 11.671 3.589 -4.488 1.00 0.00 C ATOM 152 CD GLU A 24 12.427 2.719 -5.465 1.00 0.00 C ATOM 153 OE1 GLU A 24 13.135 3.270 -6.333 1.00 0.00 O ATOM 154 OE2 GLU A 24 12.314 1.477 -5.374 1.00 0.00 O ATOM 0 H GLU A 24 13.392 4.409 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 24 11.325 5.549 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.370 4.318 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.690 2.840 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.709 3.128 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.463 4.553 -4.951 1.00 0.00 H new ATOM 161 N ARG A 25 10.661 2.918 -0.755 1.00 0.00 N ATOM 162 CA ARG A 25 9.575 2.173 -0.147 1.00 0.00 C ATOM 163 C ARG A 25 8.705 3.099 0.697 1.00 0.00 C ATOM 164 O ARG A 25 7.479 3.080 0.593 1.00 0.00 O ATOM 165 CB ARG A 25 10.139 1.027 0.699 1.00 0.00 C ATOM 166 CG ARG A 25 9.249 0.632 1.861 1.00 0.00 C ATOM 167 CD ARG A 25 9.680 -0.685 2.481 1.00 0.00 C ATOM 168 NE ARG A 25 9.392 -1.815 1.601 1.00 0.00 N ATOM 169 CZ ARG A 25 9.373 -3.086 2.001 1.00 0.00 C ATOM 170 NH1 ARG A 25 9.638 -3.394 3.265 1.00 0.00 N ATOM 171 NH2 ARG A 25 9.090 -4.049 1.134 1.00 0.00 N ATOM 0 H ARG A 25 11.589 2.663 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 25 8.950 1.747 -0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.294 0.158 0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.116 1.318 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.272 1.415 2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.218 0.551 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.748 -0.654 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.167 -0.825 3.433 1.00 0.00 H new ATOM 0 HE ARG A 25 9.193 -1.619 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.857 -2.656 3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.622 -4.368 3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.887 -3.816 0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.075 -5.022 1.439 1.00 0.00 H new ATOM 185 N GLU A 26 9.354 3.918 1.515 1.00 0.00 N ATOM 186 CA GLU A 26 8.665 4.864 2.378 1.00 0.00 C ATOM 187 C GLU A 26 7.772 5.812 1.573 1.00 0.00 C ATOM 188 O GLU A 26 6.647 6.106 1.982 1.00 0.00 O ATOM 189 CB GLU A 26 9.694 5.652 3.193 1.00 0.00 C ATOM 190 CG GLU A 26 9.092 6.710 4.096 1.00 0.00 C ATOM 191 CD GLU A 26 10.123 7.349 5.003 1.00 0.00 C ATOM 192 OE1 GLU A 26 10.707 8.384 4.618 1.00 0.00 O ATOM 193 OE2 GLU A 26 10.360 6.818 6.106 1.00 0.00 O ATOM 0 H GLU A 26 10.370 3.944 1.598 1.00 0.00 H new ATOM 0 HA GLU A 26 8.017 4.307 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.270 4.955 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.394 6.130 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.622 7.481 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.306 6.261 4.703 1.00 0.00 H new ATOM 200 N LYS A 27 8.263 6.276 0.427 1.00 0.00 N ATOM 201 CA LYS A 27 7.498 7.207 -0.398 1.00 0.00 C ATOM 202 C LYS A 27 6.325 6.499 -1.081 1.00 0.00 C ATOM 203 O LYS A 27 5.271 7.099 -1.301 1.00 0.00 O ATOM 204 CB LYS A 27 8.393 7.893 -1.439 1.00 0.00 C ATOM 205 CG LYS A 27 8.726 7.033 -2.645 1.00 0.00 C ATOM 206 CD LYS A 27 9.651 7.756 -3.608 1.00 0.00 C ATOM 207 CE LYS A 27 9.754 7.025 -4.935 1.00 0.00 C ATOM 208 NZ LYS A 27 8.469 7.054 -5.686 1.00 0.00 N ATOM 0 H LYS A 27 9.178 6.026 0.051 1.00 0.00 H new ATOM 0 HA LYS A 27 7.096 7.976 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.899 8.802 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.322 8.197 -0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.196 6.107 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.806 6.757 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.283 8.768 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.642 7.847 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.538 7.480 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.048 5.990 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.646 6.827 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.815 6.353 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.047 8.002 -5.616 1.00 0.00 H new ATOM 222 N ARG A 28 6.500 5.221 -1.410 1.00 0.00 N ATOM 223 CA ARG A 28 5.417 4.440 -1.996 1.00 0.00 C ATOM 224 C ARG A 28 4.315 4.227 -0.971 1.00 0.00 C ATOM 225 O ARG A 28 3.131 4.378 -1.276 1.00 0.00 O ATOM 226 CB ARG A 28 5.910 3.090 -2.518 1.00 0.00 C ATOM 227 CG ARG A 28 6.714 3.181 -3.803 1.00 0.00 C ATOM 228 CD ARG A 28 6.941 1.807 -4.417 1.00 0.00 C ATOM 229 NE ARG A 28 7.677 0.914 -3.523 1.00 0.00 N ATOM 230 CZ ARG A 28 8.972 0.634 -3.654 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.657 1.115 -4.683 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.571 -0.144 -2.767 1.00 0.00 N ATOM 0 H ARG A 28 7.373 4.710 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 28 5.025 5.002 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.523 2.617 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.051 2.441 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.191 3.818 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.675 3.653 -3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.979 1.358 -4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.491 1.916 -5.352 1.00 0.00 H new ATOM 0 HE ARG A 28 7.168 0.480 -2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.192 1.701 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.649 0.899 -4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.041 -0.528 -1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.563 -0.360 -2.865 1.00 0.00 H new ATOM 246 N VAL A 29 4.715 3.891 0.249 1.00 0.00 N ATOM 247 CA VAL A 29 3.771 3.754 1.348 1.00 0.00 C ATOM 248 C VAL A 29 3.076 5.087 1.599 1.00 0.00 C ATOM 249 O VAL A 29 1.877 5.132 1.851 1.00 0.00 O ATOM 250 CB VAL A 29 4.465 3.263 2.640 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.496 3.236 3.816 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.066 1.883 2.421 1.00 0.00 C ATOM 0 H VAL A 29 5.686 3.709 0.501 1.00 0.00 H new ATOM 0 HA VAL A 29 3.032 3.004 1.066 1.00 0.00 H new ATOM 0 HB VAL A 29 5.263 3.966 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.016 2.886 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.109 4.240 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.669 2.563 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.552 1.548 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.277 1.181 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.801 1.929 1.617 1.00 0.00 H new ATOM 262 N SER A 30 3.833 6.172 1.483 1.00 0.00 N ATOM 263 CA SER A 30 3.289 7.514 1.644 1.00 0.00 C ATOM 264 C SER A 30 2.163 7.757 0.639 1.00 0.00 C ATOM 265 O SER A 30 1.095 8.260 0.998 1.00 0.00 O ATOM 266 CB SER A 30 4.398 8.556 1.463 1.00 0.00 C ATOM 267 OG SER A 30 3.922 9.871 1.697 1.00 0.00 O ATOM 0 H SER A 30 4.832 6.147 1.277 1.00 0.00 H new ATOM 0 HA SER A 30 2.880 7.607 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.218 8.338 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.800 8.488 0.452 1.00 0.00 H new ATOM 0 HG SER A 30 4.654 10.511 1.575 1.00 0.00 H new ATOM 273 N ASN A 31 2.406 7.376 -0.612 1.00 0.00 N ATOM 274 CA ASN A 31 1.408 7.507 -1.671 1.00 0.00 C ATOM 275 C ASN A 31 0.170 6.676 -1.367 1.00 0.00 C ATOM 276 O ASN A 31 -0.950 7.069 -1.682 1.00 0.00 O ATOM 277 CB ASN A 31 1.992 7.076 -3.021 1.00 0.00 C ATOM 278 CG ASN A 31 2.661 8.212 -3.767 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.019 8.907 -4.556 1.00 0.00 O ATOM 280 ND2 ASN A 31 3.949 8.404 -3.534 1.00 0.00 N ATOM 0 H ASN A 31 3.291 6.972 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 31 1.121 8.557 -1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.717 6.279 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.196 6.662 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.449 9.151 -4.016 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.442 7.805 -2.872 1.00 0.00 H new ATOM 287 N ALA A 32 0.380 5.516 -0.776 1.00 0.00 N ATOM 288 CA ALA A 32 -0.715 4.622 -0.439 1.00 0.00 C ATOM 289 C ALA A 32 -1.507 5.145 0.745 1.00 0.00 C ATOM 290 O ALA A 32 -2.732 5.161 0.716 1.00 0.00 O ATOM 291 CB ALA A 32 -0.185 3.232 -0.158 1.00 0.00 C ATOM 0 H ALA A 32 1.303 5.168 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.391 4.574 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.014 2.570 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.327 2.852 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.514 3.271 0.677 1.00 0.00 H new ATOM 297 N VAL A 33 -0.804 5.589 1.775 1.00 0.00 N ATOM 298 CA VAL A 33 -1.448 6.093 2.980 1.00 0.00 C ATOM 299 C VAL A 33 -2.293 7.326 2.667 1.00 0.00 C ATOM 300 O VAL A 33 -3.404 7.469 3.175 1.00 0.00 O ATOM 301 CB VAL A 33 -0.405 6.412 4.079 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.059 7.013 5.316 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.357 5.150 4.453 1.00 0.00 C ATOM 0 H VAL A 33 0.215 5.611 1.801 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.107 5.311 3.358 1.00 0.00 H new ATOM 0 HB VAL A 33 0.289 7.151 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.296 7.224 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.567 7.939 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.783 6.308 5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.089 5.383 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.341 4.401 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.870 4.761 3.574 1.00 0.00 H new ATOM 313 N GLU A 34 -1.783 8.198 1.805 1.00 0.00 N ATOM 314 CA GLU A 34 -2.524 9.392 1.414 1.00 0.00 C ATOM 315 C GLU A 34 -3.744 9.020 0.564 1.00 0.00 C ATOM 316 O GLU A 34 -4.817 9.607 0.710 1.00 0.00 O ATOM 317 CB GLU A 34 -1.618 10.371 0.656 1.00 0.00 C ATOM 318 CG GLU A 34 -1.230 9.910 -0.737 1.00 0.00 C ATOM 319 CD GLU A 34 -0.394 10.923 -1.483 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.940 11.624 -2.360 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.817 11.019 -1.206 1.00 0.00 O ATOM 0 H GLU A 34 -0.867 8.103 1.366 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.876 9.884 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.125 11.333 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.711 10.534 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.676 8.974 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.134 9.701 -1.309 1.00 0.00 H new ATOM 328 N PHE A 35 -3.572 8.030 -0.311 1.00 0.00 N ATOM 329 CA PHE A 35 -4.636 7.591 -1.205 1.00 0.00 C ATOM 330 C PHE A 35 -5.715 6.843 -0.433 1.00 0.00 C ATOM 331 O PHE A 35 -6.905 7.056 -0.645 1.00 0.00 O ATOM 332 CB PHE A 35 -4.055 6.696 -2.305 1.00 0.00 C ATOM 333 CG PHE A 35 -5.078 6.152 -3.265 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.500 4.834 -3.176 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.613 6.958 -4.256 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.435 4.331 -4.059 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.550 6.460 -5.142 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.961 5.145 -5.043 1.00 0.00 C ATOM 0 H PHE A 35 -2.698 7.515 -0.418 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.091 8.470 -1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.314 7.265 -2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.531 5.861 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.093 4.194 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.295 7.987 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.755 3.302 -3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.960 7.098 -5.911 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.693 4.754 -5.734 1.00 0.00 H new ATOM 348 N LEU A 36 -5.290 5.985 0.478 1.00 0.00 N ATOM 349 CA LEU A 36 -6.211 5.213 1.295 1.00 0.00 C ATOM 350 C LEU A 36 -6.987 6.114 2.251 1.00 0.00 C ATOM 351 O LEU A 36 -8.137 5.833 2.587 1.00 0.00 O ATOM 352 CB LEU A 36 -5.457 4.132 2.063 1.00 0.00 C ATOM 353 CG LEU A 36 -4.869 3.012 1.207 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.076 2.048 2.071 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.970 2.277 0.463 1.00 0.00 C ATOM 0 H LEU A 36 -4.305 5.804 0.672 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.932 4.732 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.648 4.603 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.134 3.690 2.795 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.195 3.454 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.663 1.255 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.264 2.584 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.731 1.612 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.533 1.483 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.668 1.845 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.501 2.975 -0.184 1.00 0.00 H new ATOM 367 N LEU A 37 -6.365 7.205 2.679 1.00 0.00 N ATOM 368 CA LEU A 37 -7.006 8.125 3.609 1.00 0.00 C ATOM 369 C LEU A 37 -7.876 9.139 2.882 1.00 0.00 C ATOM 370 O LEU A 37 -8.426 10.048 3.501 1.00 0.00 O ATOM 371 CB LEU A 37 -5.963 8.854 4.458 1.00 0.00 C ATOM 372 CG LEU A 37 -5.670 8.212 5.811 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.554 8.955 6.525 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.930 8.199 6.660 1.00 0.00 C ATOM 0 H LEU A 37 -5.422 7.474 2.399 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.645 7.530 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.033 8.914 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.302 9.877 4.624 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.343 7.185 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.360 8.482 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.650 8.925 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.850 9.992 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.714 7.739 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.275 9.221 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.706 7.627 6.151 1.00 0.00 H new ATOM 386 N ASP A 38 -8.022 8.969 1.580 1.00 0.00 N ATOM 387 CA ASP A 38 -8.901 9.824 0.798 1.00 0.00 C ATOM 388 C ASP A 38 -10.350 9.456 1.086 1.00 0.00 C ATOM 389 O ASP A 38 -10.716 8.286 1.014 1.00 0.00 O ATOM 390 CB ASP A 38 -8.603 9.663 -0.694 1.00 0.00 C ATOM 391 CG ASP A 38 -9.377 10.623 -1.571 1.00 0.00 C ATOM 392 OD1 ASP A 38 -10.586 10.405 -1.790 1.00 0.00 O ATOM 393 OD2 ASP A 38 -8.771 11.588 -2.077 1.00 0.00 O ATOM 0 H ASP A 38 -7.544 8.247 1.041 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.731 10.865 1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.536 9.810 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.835 8.641 -0.995 1.00 0.00 H new ATOM 398 N SER A 39 -11.164 10.452 1.415 1.00 0.00 N ATOM 399 CA SER A 39 -12.552 10.228 1.813 1.00 0.00 C ATOM 400 C SER A 39 -13.324 9.401 0.780 1.00 0.00 C ATOM 401 O SER A 39 -14.063 8.479 1.135 1.00 0.00 O ATOM 402 CB SER A 39 -13.246 11.569 2.035 1.00 0.00 C ATOM 403 OG SER A 39 -12.536 12.352 2.982 1.00 0.00 O ATOM 0 H SER A 39 -10.884 11.433 1.414 1.00 0.00 H new ATOM 0 HA SER A 39 -12.542 9.658 2.742 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.317 12.108 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.265 11.403 2.384 1.00 0.00 H new ATOM 0 HG SER A 39 -12.996 13.208 3.109 1.00 0.00 H new ATOM 409 N ARG A 40 -13.145 9.727 -0.491 1.00 0.00 N ATOM 410 CA ARG A 40 -13.823 9.015 -1.567 1.00 0.00 C ATOM 411 C ARG A 40 -13.291 7.591 -1.711 1.00 0.00 C ATOM 412 O ARG A 40 -14.040 6.670 -2.038 1.00 0.00 O ATOM 413 CB ARG A 40 -13.687 9.789 -2.877 1.00 0.00 C ATOM 414 CG ARG A 40 -14.574 11.022 -2.928 1.00 0.00 C ATOM 415 CD ARG A 40 -14.256 11.898 -4.125 1.00 0.00 C ATOM 416 NE ARG A 40 -12.999 12.622 -3.954 1.00 0.00 N ATOM 417 CZ ARG A 40 -12.487 13.447 -4.864 1.00 0.00 C ATOM 418 NH1 ARG A 40 -13.118 13.652 -6.012 1.00 0.00 N ATOM 419 NH2 ARG A 40 -11.343 14.073 -4.624 1.00 0.00 N ATOM 0 H ARG A 40 -12.535 10.482 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.881 8.942 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.648 10.089 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.938 9.132 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.619 10.716 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.447 11.599 -2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.200 11.281 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.067 12.610 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.483 12.487 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.000 13.176 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.721 14.285 -6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.855 13.922 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.951 14.705 -5.322 1.00 0.00 H new ATOM 433 N VAL A 41 -12.003 7.411 -1.445 1.00 0.00 N ATOM 434 CA VAL A 41 -11.388 6.087 -1.506 1.00 0.00 C ATOM 435 C VAL A 41 -11.822 5.241 -0.307 1.00 0.00 C ATOM 436 O VAL A 41 -11.909 4.016 -0.390 1.00 0.00 O ATOM 437 CB VAL A 41 -9.849 6.178 -1.566 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.215 4.794 -1.590 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.420 6.976 -2.786 1.00 0.00 C ATOM 0 H VAL A 41 -11.364 8.162 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.730 5.606 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.504 6.689 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.130 4.891 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.496 4.250 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.565 4.249 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.332 7.034 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.784 6.485 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.835 7.982 -2.727 1.00 0.00 H new ATOM 449 N ARG A 42 -12.121 5.901 0.802 1.00 0.00 N ATOM 450 CA ARG A 42 -12.674 5.216 1.970 1.00 0.00 C ATOM 451 C ARG A 42 -14.027 4.594 1.629 1.00 0.00 C ATOM 452 O ARG A 42 -14.478 3.656 2.286 1.00 0.00 O ATOM 453 CB ARG A 42 -12.849 6.184 3.144 1.00 0.00 C ATOM 454 CG ARG A 42 -11.579 6.907 3.551 1.00 0.00 C ATOM 455 CD ARG A 42 -11.847 7.892 4.676 1.00 0.00 C ATOM 456 NE ARG A 42 -10.751 8.845 4.849 1.00 0.00 N ATOM 457 CZ ARG A 42 -10.679 9.726 5.846 1.00 0.00 C ATOM 458 NH1 ARG A 42 -11.623 9.761 6.777 1.00 0.00 N ATOM 459 NH2 ARG A 42 -9.664 10.578 5.905 1.00 0.00 N ATOM 0 H ARG A 42 -11.992 6.906 0.922 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.972 4.433 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.606 6.923 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.229 5.631 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.830 6.182 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.166 7.435 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.769 8.435 4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.001 7.345 5.606 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.995 8.835 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.408 9.112 6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.564 10.437 7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.939 10.558 5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.608 11.253 6.668 1.00 0.00 H new ATOM 473 N ARG A 43 -14.669 5.121 0.594 1.00 0.00 N ATOM 474 CA ARG A 43 -15.994 4.667 0.201 1.00 0.00 C ATOM 475 C ARG A 43 -15.914 3.578 -0.874 1.00 0.00 C ATOM 476 O ARG A 43 -16.881 2.851 -1.107 1.00 0.00 O ATOM 477 CB ARG A 43 -16.826 5.862 -0.276 1.00 0.00 C ATOM 478 CG ARG A 43 -18.274 5.529 -0.591 1.00 0.00 C ATOM 479 CD ARG A 43 -19.139 6.779 -0.601 1.00 0.00 C ATOM 480 NE ARG A 43 -19.264 7.361 0.736 1.00 0.00 N ATOM 481 CZ ARG A 43 -19.611 8.625 0.976 1.00 0.00 C ATOM 482 NH1 ARG A 43 -19.839 9.458 -0.031 1.00 0.00 N ATOM 483 NH2 ARG A 43 -19.724 9.056 2.226 1.00 0.00 N ATOM 0 H ARG A 43 -14.290 5.867 0.010 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.484 4.222 1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.802 6.636 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.360 6.282 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.333 5.036 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -18.657 4.825 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.707 7.515 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -20.129 6.533 -0.985 1.00 0.00 H new ATOM 0 HE ARG A 43 -19.073 6.759 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.749 9.132 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.104 10.425 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.545 8.420 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.990 10.024 2.410 1.00 0.00 H new ATOM 497 N THR A 44 -14.762 3.458 -1.527 1.00 0.00 N ATOM 498 CA THR A 44 -14.551 2.385 -2.489 1.00 0.00 C ATOM 499 C THR A 44 -14.198 1.082 -1.774 1.00 0.00 C ATOM 500 O THR A 44 -13.761 1.104 -0.621 1.00 0.00 O ATOM 501 CB THR A 44 -13.442 2.736 -3.504 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.368 3.422 -2.858 1.00 0.00 O ATOM 503 CG2 THR A 44 -13.986 3.586 -4.640 1.00 0.00 C ATOM 0 H THR A 44 -13.967 4.086 -1.408 1.00 0.00 H new ATOM 0 HA THR A 44 -15.485 2.256 -3.036 1.00 0.00 H new ATOM 0 HB THR A 44 -13.068 1.801 -3.921 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.341 3.170 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.182 3.817 -5.339 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.772 3.039 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.395 4.513 -4.237 1.00 0.00 H new ATOM 511 N PRO A 45 -14.405 -0.069 -2.434 1.00 0.00 N ATOM 512 CA PRO A 45 -14.082 -1.378 -1.859 1.00 0.00 C ATOM 513 C PRO A 45 -12.579 -1.574 -1.677 1.00 0.00 C ATOM 514 O PRO A 45 -11.771 -0.939 -2.361 1.00 0.00 O ATOM 515 CB PRO A 45 -14.632 -2.373 -2.885 1.00 0.00 C ATOM 516 CG PRO A 45 -14.698 -1.614 -4.162 1.00 0.00 C ATOM 517 CD PRO A 45 -14.985 -0.189 -3.784 1.00 0.00 C ATOM 0 HA PRO A 45 -14.509 -1.499 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.983 -3.244 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.616 -2.738 -2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.759 -1.690 -4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.479 -2.010 -4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.527 0.512 -4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.055 0.018 -3.781 1.00 0.00 H new ATOM 525 N THR A 46 -12.215 -2.459 -0.757 1.00 0.00 N ATOM 526 CA THR A 46 -10.817 -2.721 -0.442 1.00 0.00 C ATOM 527 C THR A 46 -10.064 -3.214 -1.674 1.00 0.00 C ATOM 528 O THR A 46 -8.913 -2.844 -1.901 1.00 0.00 O ATOM 529 CB THR A 46 -10.703 -3.782 0.664 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.868 -3.740 1.498 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.466 -3.550 1.518 1.00 0.00 C ATOM 0 H THR A 46 -12.876 -3.012 -0.212 1.00 0.00 H new ATOM 0 HA THR A 46 -10.377 -1.784 -0.100 1.00 0.00 H new ATOM 0 HB THR A 46 -10.620 -4.760 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.792 -4.419 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.410 -4.315 2.293 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.576 -3.603 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.524 -2.566 1.983 1.00 0.00 H new ATOM 539 N SER A 47 -10.740 -4.028 -2.474 1.00 0.00 N ATOM 540 CA SER A 47 -10.153 -4.614 -3.668 1.00 0.00 C ATOM 541 C SER A 47 -9.661 -3.539 -4.634 1.00 0.00 C ATOM 542 O SER A 47 -8.565 -3.644 -5.190 1.00 0.00 O ATOM 543 CB SER A 47 -11.193 -5.504 -4.340 1.00 0.00 C ATOM 544 OG SER A 47 -12.461 -4.870 -4.333 1.00 0.00 O ATOM 0 H SER A 47 -11.710 -4.299 -2.312 1.00 0.00 H new ATOM 0 HA SER A 47 -9.286 -5.209 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.891 -5.717 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.254 -6.460 -3.820 1.00 0.00 H new ATOM 0 HG SER A 47 -13.119 -5.451 -4.769 1.00 0.00 H new ATOM 550 N SER A 48 -10.466 -2.501 -4.808 1.00 0.00 N ATOM 551 CA SER A 48 -10.124 -1.400 -5.683 1.00 0.00 C ATOM 552 C SER A 48 -8.891 -0.661 -5.179 1.00 0.00 C ATOM 553 O SER A 48 -8.004 -0.307 -5.959 1.00 0.00 O ATOM 554 CB SER A 48 -11.304 -0.449 -5.765 1.00 0.00 C ATOM 555 OG SER A 48 -12.422 -1.083 -6.361 1.00 0.00 O ATOM 0 H SER A 48 -11.370 -2.403 -4.347 1.00 0.00 H new ATOM 0 HA SER A 48 -9.894 -1.794 -6.673 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.567 -0.102 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.028 0.431 -6.345 1.00 0.00 H new ATOM 0 HG SER A 48 -13.203 -0.493 -6.302 1.00 0.00 H new ATOM 561 N LYS A 49 -8.847 -0.441 -3.871 1.00 0.00 N ATOM 562 CA LYS A 49 -7.721 0.231 -3.239 1.00 0.00 C ATOM 563 C LYS A 49 -6.439 -0.562 -3.463 1.00 0.00 C ATOM 564 O LYS A 49 -5.425 -0.021 -3.904 1.00 0.00 O ATOM 565 CB LYS A 49 -7.959 0.366 -1.734 1.00 0.00 C ATOM 566 CG LYS A 49 -9.319 0.926 -1.359 1.00 0.00 C ATOM 567 CD LYS A 49 -9.492 0.977 0.151 1.00 0.00 C ATOM 568 CE LYS A 49 -10.937 1.230 0.535 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.118 1.337 2.005 1.00 0.00 N ATOM 0 H LYS A 49 -9.584 -0.721 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.624 1.221 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.844 -0.614 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.187 1.010 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.431 1.927 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.103 0.309 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.157 0.037 0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.861 1.764 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.281 2.149 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.559 0.421 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.121 1.510 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.815 0.451 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.545 2.125 2.369 1.00 0.00 H new ATOM 583 N VAL A 50 -6.513 -1.857 -3.182 1.00 0.00 N ATOM 584 CA VAL A 50 -5.338 -2.727 -3.236 1.00 0.00 C ATOM 585 C VAL A 50 -4.804 -2.845 -4.661 1.00 0.00 C ATOM 586 O VAL A 50 -3.597 -2.745 -4.897 1.00 0.00 O ATOM 587 CB VAL A 50 -5.653 -4.140 -2.691 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.425 -5.034 -2.755 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.172 -4.067 -1.264 1.00 0.00 C ATOM 0 H VAL A 50 -7.375 -2.332 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.577 -2.268 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.429 -4.573 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.673 -6.022 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.094 -5.124 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.626 -4.598 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.386 -5.073 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.418 -3.605 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.084 -3.470 -1.239 1.00 0.00 H new ATOM 599 N HIS A 51 -5.710 -3.036 -5.610 1.00 0.00 N ATOM 600 CA HIS A 51 -5.331 -3.210 -7.007 1.00 0.00 C ATOM 601 C HIS A 51 -4.651 -1.960 -7.554 1.00 0.00 C ATOM 602 O HIS A 51 -3.695 -2.048 -8.327 1.00 0.00 O ATOM 603 CB HIS A 51 -6.555 -3.556 -7.859 1.00 0.00 C ATOM 604 CG HIS A 51 -7.006 -4.981 -7.732 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.697 -5.637 -8.724 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.857 -5.878 -6.727 1.00 0.00 C ATOM 607 CE1 HIS A 51 -7.952 -6.872 -8.339 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.453 -7.046 -7.131 1.00 0.00 N ATOM 0 H HIS A 51 -6.715 -3.075 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.621 -4.036 -7.057 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.378 -2.899 -7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.326 -3.350 -8.905 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.361 -5.705 -5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.481 -7.616 -8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.502 -7.907 -6.586 1.00 0.00 H new ATOM 617 N PHE A 52 -5.136 -0.798 -7.139 1.00 0.00 N ATOM 618 CA PHE A 52 -4.588 0.464 -7.613 1.00 0.00 C ATOM 619 C PHE A 52 -3.194 0.702 -7.039 1.00 0.00 C ATOM 620 O PHE A 52 -2.271 1.076 -7.763 1.00 0.00 O ATOM 621 CB PHE A 52 -5.515 1.624 -7.247 1.00 0.00 C ATOM 622 CG PHE A 52 -5.143 2.916 -7.914 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.502 3.918 -7.208 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.430 3.121 -9.254 1.00 0.00 C ATOM 625 CE1 PHE A 52 -4.156 5.104 -7.825 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.087 4.305 -9.875 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.447 5.297 -9.161 1.00 0.00 C ATOM 0 H PHE A 52 -5.906 -0.704 -6.477 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.508 0.410 -8.699 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.537 1.363 -7.521 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.501 1.764 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.270 3.771 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.927 2.346 -9.818 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.658 5.880 -7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.319 4.455 -10.919 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.174 6.223 -9.646 1.00 0.00 H new ATOM 637 N LEU A 53 -3.045 0.469 -5.739 1.00 0.00 N ATOM 638 CA LEU A 53 -1.767 0.679 -5.061 1.00 0.00 C ATOM 639 C LEU A 53 -0.689 -0.230 -5.633 1.00 0.00 C ATOM 640 O LEU A 53 0.453 0.189 -5.820 1.00 0.00 O ATOM 641 CB LEU A 53 -1.908 0.430 -3.560 1.00 0.00 C ATOM 642 CG LEU A 53 -2.869 1.368 -2.832 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.929 1.018 -1.356 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.451 2.817 -3.024 1.00 0.00 C ATOM 0 H LEU A 53 -3.793 0.134 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.471 1.715 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.243 -0.596 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.924 0.516 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.865 1.243 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.617 1.694 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.277 -0.008 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.936 1.116 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.148 3.469 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.447 2.962 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.458 3.060 -4.087 1.00 0.00 H new ATOM 656 N LYS A 54 -1.062 -1.470 -5.923 1.00 0.00 N ATOM 657 CA LYS A 54 -0.139 -2.421 -6.525 1.00 0.00 C ATOM 658 C LYS A 54 0.354 -1.888 -7.864 1.00 0.00 C ATOM 659 O LYS A 54 1.544 -1.943 -8.176 1.00 0.00 O ATOM 660 CB LYS A 54 -0.839 -3.774 -6.713 1.00 0.00 C ATOM 661 CG LYS A 54 0.032 -4.857 -7.343 1.00 0.00 C ATOM 662 CD LYS A 54 0.092 -4.762 -8.867 1.00 0.00 C ATOM 663 CE LYS A 54 -1.260 -5.018 -9.514 1.00 0.00 C ATOM 664 NZ LYS A 54 -1.200 -4.864 -10.991 1.00 0.00 N ATOM 0 H LYS A 54 -1.997 -1.840 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 54 0.719 -2.557 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.188 -4.126 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.722 -3.628 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.042 -4.784 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.354 -5.836 -7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.448 -3.772 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.816 -5.483 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.597 -6.024 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.996 -4.326 -9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.140 -5.046 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.902 -3.896 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.516 -5.542 -11.383 1.00 0.00 H new ATOM 678 N SER A 55 -0.576 -1.353 -8.635 1.00 0.00 N ATOM 679 CA SER A 55 -0.282 -0.811 -9.947 1.00 0.00 C ATOM 680 C SER A 55 0.563 0.461 -9.849 1.00 0.00 C ATOM 681 O SER A 55 1.147 0.908 -10.836 1.00 0.00 O ATOM 682 CB SER A 55 -1.593 -0.535 -10.676 1.00 0.00 C ATOM 683 OG SER A 55 -2.388 -1.712 -10.743 1.00 0.00 O ATOM 0 H SER A 55 -1.558 -1.283 -8.367 1.00 0.00 H new ATOM 0 HA SER A 55 0.301 -1.541 -10.509 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.143 0.252 -10.160 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.386 -0.172 -11.683 1.00 0.00 H new ATOM 0 HG SER A 55 -2.891 -1.815 -9.908 1.00 0.00 H new ATOM 689 N LYS A 56 0.642 1.028 -8.649 1.00 0.00 N ATOM 690 CA LYS A 56 1.450 2.212 -8.417 1.00 0.00 C ATOM 691 C LYS A 56 2.886 1.833 -8.072 1.00 0.00 C ATOM 692 O LYS A 56 3.708 2.697 -7.766 1.00 0.00 O ATOM 693 CB LYS A 56 0.842 3.070 -7.305 1.00 0.00 C ATOM 694 CG LYS A 56 -0.343 3.907 -7.762 1.00 0.00 C ATOM 695 CD LYS A 56 -0.649 5.046 -6.795 1.00 0.00 C ATOM 696 CE LYS A 56 0.477 6.073 -6.758 1.00 0.00 C ATOM 697 NZ LYS A 56 0.081 7.318 -6.043 1.00 0.00 N ATOM 0 H LYS A 56 0.154 0.683 -7.823 1.00 0.00 H new ATOM 0 HA LYS A 56 1.464 2.796 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.525 2.421 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.611 3.731 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.137 4.317 -8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.221 3.269 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.577 5.535 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.806 4.642 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.348 5.637 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.774 6.320 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.919 7.745 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.332 7.991 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.621 7.089 -5.310 1.00 0.00 H new ATOM 711 N GLY A 57 3.180 0.538 -8.113 1.00 0.00 N ATOM 712 CA GLY A 57 4.541 0.080 -7.917 1.00 0.00 C ATOM 713 C GLY A 57 4.786 -0.468 -6.528 1.00 0.00 C ATOM 714 O GLY A 57 5.907 -0.859 -6.199 1.00 0.00 O ATOM 0 H GLY A 57 2.499 -0.203 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.768 -0.693 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.227 0.907 -8.102 1.00 0.00 H new ATOM 718 N LEU A 58 3.744 -0.504 -5.712 1.00 0.00 N ATOM 719 CA LEU A 58 3.874 -0.997 -4.350 1.00 0.00 C ATOM 720 C LEU A 58 3.908 -2.513 -4.304 1.00 0.00 C ATOM 721 O LEU A 58 3.395 -3.194 -5.195 1.00 0.00 O ATOM 722 CB LEU A 58 2.734 -0.503 -3.461 1.00 0.00 C ATOM 723 CG LEU A 58 2.929 0.882 -2.854 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.633 1.974 -3.870 1.00 0.00 C ATOM 725 CD2 LEU A 58 2.063 1.034 -1.617 1.00 0.00 C ATOM 0 H LEU A 58 2.804 -0.200 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 58 4.819 -0.605 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.815 -0.498 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.591 -1.219 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 58 3.973 0.987 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.781 2.950 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.305 1.870 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.601 1.885 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.209 2.026 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.015 0.906 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.342 0.279 -0.882 1.00 0.00 H new ATOM 737 N SER A 59 4.524 -3.028 -3.257 1.00 0.00 N ATOM 738 CA SER A 59 4.532 -4.452 -2.995 1.00 0.00 C ATOM 739 C SER A 59 3.417 -4.790 -2.010 1.00 0.00 C ATOM 740 O SER A 59 2.926 -3.904 -1.308 1.00 0.00 O ATOM 741 CB SER A 59 5.889 -4.856 -2.429 1.00 0.00 C ATOM 742 OG SER A 59 6.938 -4.394 -3.265 1.00 0.00 O ATOM 0 H SER A 59 5.031 -2.473 -2.568 1.00 0.00 H new ATOM 0 HA SER A 59 4.362 -5.002 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.008 -4.444 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.942 -5.941 -2.336 1.00 0.00 H new ATOM 0 HG SER A 59 7.801 -4.661 -2.885 1.00 0.00 H new ATOM 748 N ALA A 60 3.028 -6.057 -1.948 1.00 0.00 N ATOM 749 CA ALA A 60 1.934 -6.483 -1.079 1.00 0.00 C ATOM 750 C ALA A 60 2.215 -6.130 0.379 1.00 0.00 C ATOM 751 O ALA A 60 1.316 -5.718 1.114 1.00 0.00 O ATOM 752 CB ALA A 60 1.689 -7.977 -1.228 1.00 0.00 C ATOM 0 H ALA A 60 3.453 -6.810 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 60 1.035 -5.948 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.871 -8.279 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.428 -8.202 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.592 -8.523 -0.955 1.00 0.00 H new ATOM 758 N GLU A 61 3.471 -6.279 0.785 1.00 0.00 N ATOM 759 CA GLU A 61 3.882 -5.954 2.148 1.00 0.00 C ATOM 760 C GLU A 61 3.734 -4.460 2.422 1.00 0.00 C ATOM 761 O GLU A 61 3.347 -4.053 3.518 1.00 0.00 O ATOM 762 CB GLU A 61 5.330 -6.384 2.385 1.00 0.00 C ATOM 763 CG GLU A 61 5.550 -7.883 2.280 1.00 0.00 C ATOM 764 CD GLU A 61 6.999 -8.269 2.484 1.00 0.00 C ATOM 765 OE1 GLU A 61 7.417 -8.430 3.652 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.730 -8.409 1.480 1.00 0.00 O ATOM 0 H GLU A 61 4.224 -6.623 0.189 1.00 0.00 H new ATOM 0 HA GLU A 61 3.231 -6.498 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.972 -5.881 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.641 -6.049 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.934 -8.391 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.219 -8.228 1.300 1.00 0.00 H new ATOM 773 N GLU A 62 4.034 -3.650 1.417 1.00 0.00 N ATOM 774 CA GLU A 62 3.951 -2.201 1.549 1.00 0.00 C ATOM 775 C GLU A 62 2.494 -1.756 1.612 1.00 0.00 C ATOM 776 O GLU A 62 2.137 -0.864 2.382 1.00 0.00 O ATOM 777 CB GLU A 62 4.673 -1.523 0.385 1.00 0.00 C ATOM 778 CG GLU A 62 6.123 -1.959 0.258 1.00 0.00 C ATOM 779 CD GLU A 62 6.839 -1.319 -0.912 1.00 0.00 C ATOM 780 OE1 GLU A 62 8.075 -1.139 -0.828 1.00 0.00 O ATOM 781 OE2 GLU A 62 6.182 -1.014 -1.924 1.00 0.00 O ATOM 0 H GLU A 62 4.338 -3.972 0.498 1.00 0.00 H new ATOM 0 HA GLU A 62 4.439 -1.905 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.148 -1.748 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.634 -0.442 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.652 -1.711 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.161 -3.043 0.150 1.00 0.00 H new ATOM 788 N ILE A 63 1.657 -2.401 0.807 1.00 0.00 N ATOM 789 CA ILE A 63 0.222 -2.143 0.813 1.00 0.00 C ATOM 790 C ILE A 63 -0.375 -2.512 2.172 1.00 0.00 C ATOM 791 O ILE A 63 -1.172 -1.763 2.739 1.00 0.00 O ATOM 792 CB ILE A 63 -0.487 -2.947 -0.301 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.094 -2.587 -1.670 1.00 0.00 C ATOM 794 CG2 ILE A 63 -1.987 -2.690 -0.279 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.423 -3.455 -2.796 1.00 0.00 C ATOM 0 H ILE A 63 1.951 -3.112 0.137 1.00 0.00 H new ATOM 0 HA ILE A 63 0.069 -1.080 0.627 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.318 -4.008 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.137 -1.545 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.180 -2.671 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.466 -3.265 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.394 -2.992 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.177 -1.628 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.032 -3.142 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.168 -4.496 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.506 -3.353 -2.866 1.00 0.00 H new ATOM 807 N CYS A 64 0.041 -3.665 2.691 1.00 0.00 N ATOM 808 CA CYS A 64 -0.397 -4.138 4.001 1.00 0.00 C ATOM 809 C CYS A 64 -0.080 -3.110 5.086 1.00 0.00 C ATOM 810 O CYS A 64 -0.901 -2.846 5.974 1.00 0.00 O ATOM 811 CB CYS A 64 0.290 -5.472 4.319 1.00 0.00 C ATOM 812 SG CYS A 64 -0.055 -6.130 5.969 1.00 0.00 S ATOM 0 H CYS A 64 0.688 -4.295 2.217 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.477 -4.282 3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.019 -6.209 3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.367 -5.344 4.212 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.331 -6.061 6.205 1.00 0.00 H new ATOM 818 N GLU A 65 1.109 -2.528 5.005 1.00 0.00 N ATOM 819 CA GLU A 65 1.537 -1.529 5.959 1.00 0.00 C ATOM 820 C GLU A 65 0.719 -0.248 5.811 1.00 0.00 C ATOM 821 O GLU A 65 0.200 0.278 6.794 1.00 0.00 O ATOM 822 CB GLU A 65 3.023 -1.247 5.771 1.00 0.00 C ATOM 823 CG GLU A 65 3.527 -0.093 6.606 1.00 0.00 C ATOM 824 CD GLU A 65 5.031 0.026 6.577 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.701 -0.675 7.365 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.556 0.815 5.766 1.00 0.00 O ATOM 0 H GLU A 65 1.795 -2.737 4.280 1.00 0.00 H new ATOM 0 HA GLU A 65 1.373 -1.910 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.590 -2.143 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.214 -1.035 4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.085 0.835 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.195 -0.222 7.636 1.00 0.00 H new ATOM 833 N ALA A 66 0.583 0.229 4.576 1.00 0.00 N ATOM 834 CA ALA A 66 -0.154 1.456 4.295 1.00 0.00 C ATOM 835 C ALA A 66 -1.586 1.372 4.802 1.00 0.00 C ATOM 836 O ALA A 66 -2.107 2.332 5.369 1.00 0.00 O ATOM 837 CB ALA A 66 -0.147 1.744 2.806 1.00 0.00 C ATOM 0 H ALA A 66 0.977 -0.220 3.749 1.00 0.00 H new ATOM 0 HA ALA A 66 0.344 2.271 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.701 2.662 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.881 1.860 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.616 0.917 2.273 1.00 0.00 H new ATOM 843 N PHE A 67 -2.217 0.223 4.598 1.00 0.00 N ATOM 844 CA PHE A 67 -3.559 -0.008 5.104 1.00 0.00 C ATOM 845 C PHE A 67 -3.600 0.143 6.615 1.00 0.00 C ATOM 846 O PHE A 67 -4.469 0.820 7.159 1.00 0.00 O ATOM 847 CB PHE A 67 -4.058 -1.393 4.702 1.00 0.00 C ATOM 848 CG PHE A 67 -4.892 -1.386 3.456 1.00 0.00 C ATOM 849 CD1 PHE A 67 -6.246 -1.118 3.529 1.00 0.00 C ATOM 850 CD2 PHE A 67 -4.328 -1.641 2.220 1.00 0.00 C ATOM 851 CE1 PHE A 67 -7.027 -1.106 2.393 1.00 0.00 C ATOM 852 CE2 PHE A 67 -5.104 -1.630 1.077 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.456 -1.362 1.165 1.00 0.00 C ATOM 0 H PHE A 67 -1.818 -0.563 4.085 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.216 0.741 4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.202 -2.051 4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.644 -1.812 5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.698 -0.915 4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.271 -1.851 2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.084 -0.896 2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.654 -1.831 0.116 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.065 -1.353 0.273 1.00 0.00 H new ATOM 863 N THR A 68 -2.644 -0.465 7.293 1.00 0.00 N ATOM 864 CA THR A 68 -2.599 -0.401 8.741 1.00 0.00 C ATOM 865 C THR A 68 -2.346 1.039 9.196 1.00 0.00 C ATOM 866 O THR A 68 -2.862 1.482 10.224 1.00 0.00 O ATOM 867 CB THR A 68 -1.513 -1.336 9.302 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.649 -2.646 8.724 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.616 -1.437 10.816 1.00 0.00 C ATOM 0 H THR A 68 -1.892 -1.006 6.866 1.00 0.00 H new ATOM 0 HA THR A 68 -3.563 -0.732 9.128 1.00 0.00 H new ATOM 0 HB THR A 68 -0.538 -0.921 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.299 -2.638 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.838 -2.103 11.190 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.489 -0.448 11.256 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.594 -1.832 11.089 1.00 0.00 H new ATOM 877 N LYS A 69 -1.580 1.771 8.395 1.00 0.00 N ATOM 878 CA LYS A 69 -1.276 3.169 8.671 1.00 0.00 C ATOM 879 C LYS A 69 -2.537 4.035 8.652 1.00 0.00 C ATOM 880 O LYS A 69 -2.660 4.976 9.433 1.00 0.00 O ATOM 881 CB LYS A 69 -0.284 3.697 7.637 1.00 0.00 C ATOM 882 CG LYS A 69 1.094 3.066 7.729 1.00 0.00 C ATOM 883 CD LYS A 69 2.074 3.953 8.473 1.00 0.00 C ATOM 884 CE LYS A 69 2.435 5.183 7.660 1.00 0.00 C ATOM 885 NZ LYS A 69 3.385 6.069 8.382 1.00 0.00 N ATOM 0 H LYS A 69 -1.154 1.414 7.540 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.841 3.223 9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.687 3.523 6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.188 4.776 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.019 2.103 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.471 2.870 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.640 4.259 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.978 3.388 8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.876 4.874 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.528 5.740 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.605 6.896 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.955 6.385 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.261 5.546 8.586 1.00 0.00 H new ATOM 899 N VAL A 70 -3.476 3.712 7.764 1.00 0.00 N ATOM 900 CA VAL A 70 -4.693 4.511 7.624 1.00 0.00 C ATOM 901 C VAL A 70 -5.792 4.034 8.571 1.00 0.00 C ATOM 902 O VAL A 70 -6.922 4.528 8.533 1.00 0.00 O ATOM 903 CB VAL A 70 -5.228 4.510 6.172 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.164 5.026 5.218 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.700 3.123 5.749 1.00 0.00 C ATOM 0 H VAL A 70 -3.419 2.910 7.136 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.416 5.532 7.888 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.090 5.176 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.554 5.020 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.889 6.044 5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.284 4.385 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.069 3.161 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.868 2.421 5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.501 2.794 6.411 1.00 0.00 H new ATOM 915 N GLY A 71 -5.455 3.077 9.423 1.00 0.00 N ATOM 916 CA GLY A 71 -6.406 2.594 10.402 1.00 0.00 C ATOM 917 C GLY A 71 -7.173 1.383 9.921 1.00 0.00 C ATOM 918 O GLY A 71 -8.236 1.060 10.452 1.00 0.00 O ATOM 0 H GLY A 71 -4.540 2.627 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.878 2.343 11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.108 3.391 10.645 1.00 0.00 H new ATOM 922 N GLN A 72 -6.643 0.714 8.914 1.00 0.00 N ATOM 923 CA GLN A 72 -7.251 -0.499 8.401 1.00 0.00 C ATOM 924 C GLN A 72 -6.253 -1.648 8.500 1.00 0.00 C ATOM 925 O GLN A 72 -5.465 -1.880 7.588 1.00 0.00 O ATOM 926 CB GLN A 72 -7.681 -0.287 6.946 1.00 0.00 C ATOM 927 CG GLN A 72 -8.326 -1.503 6.303 1.00 0.00 C ATOM 928 CD GLN A 72 -9.689 -1.817 6.870 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.820 -2.574 7.830 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.711 -1.229 6.278 1.00 0.00 N ATOM 0 H GLN A 72 -5.788 0.992 8.433 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.133 -0.745 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.382 0.547 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.808 0.000 6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.415 -1.335 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.675 -2.367 6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.553 -0.608 5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.660 -1.395 6.614 1.00 0.00 H new ATOM 939 N PRO A 73 -6.268 -2.380 9.615 1.00 0.00 N ATOM 940 CA PRO A 73 -5.323 -3.465 9.838 1.00 0.00 C ATOM 941 C PRO A 73 -5.652 -4.699 9.010 1.00 0.00 C ATOM 942 O PRO A 73 -6.542 -5.482 9.347 1.00 0.00 O ATOM 943 CB PRO A 73 -5.453 -3.761 11.325 1.00 0.00 C ATOM 944 CG PRO A 73 -6.831 -3.320 11.691 1.00 0.00 C ATOM 945 CD PRO A 73 -7.190 -2.200 10.748 1.00 0.00 C ATOM 0 HA PRO A 73 -4.312 -3.188 9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.312 -4.822 11.529 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.701 -3.222 11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.538 -4.144 11.600 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.867 -2.981 12.726 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.231 -2.264 10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.060 -1.225 11.218 1.00 0.00 H new ATOM 953 N LYS A 74 -4.946 -4.841 7.907 1.00 0.00 N ATOM 954 CA LYS A 74 -5.089 -6.001 7.047 1.00 0.00 C ATOM 955 C LYS A 74 -3.844 -6.862 7.141 1.00 0.00 C ATOM 956 O LYS A 74 -2.735 -6.342 7.291 1.00 0.00 O ATOM 957 CB LYS A 74 -5.309 -5.577 5.590 1.00 0.00 C ATOM 958 CG LYS A 74 -6.632 -4.874 5.336 1.00 0.00 C ATOM 959 CD LYS A 74 -7.813 -5.786 5.622 1.00 0.00 C ATOM 960 CE LYS A 74 -9.124 -5.148 5.200 1.00 0.00 C ATOM 961 NZ LYS A 74 -10.290 -6.011 5.524 1.00 0.00 N ATOM 0 H LYS A 74 -4.260 -4.160 7.581 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.958 -6.570 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.496 -4.916 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.253 -6.461 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.698 -3.984 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.673 -4.538 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.681 -6.731 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.846 -6.017 6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.236 -4.185 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.104 -4.952 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.166 -5.540 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.197 -6.921 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.324 -6.177 6.550 1.00 0.00 H new ATOM 975 N THR A 75 -4.025 -8.167 7.074 1.00 0.00 N ATOM 976 CA THR A 75 -2.900 -9.078 7.053 1.00 0.00 C ATOM 977 C THR A 75 -2.339 -9.177 5.640 1.00 0.00 C ATOM 978 O THR A 75 -3.034 -8.874 4.666 1.00 0.00 O ATOM 979 CB THR A 75 -3.294 -10.480 7.564 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.477 -10.941 6.896 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.528 -10.464 9.067 1.00 0.00 C ATOM 0 H THR A 75 -4.939 -8.618 7.033 1.00 0.00 H new ATOM 0 HA THR A 75 -2.136 -8.682 7.722 1.00 0.00 H new ATOM 0 HB THR A 75 -2.471 -11.160 7.346 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.714 -11.832 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.804 -11.463 9.403 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.616 -10.150 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.332 -9.767 9.303 1.00 0.00 H new ATOM 989 N LEU A 76 -1.082 -9.584 5.530 1.00 0.00 N ATOM 990 CA LEU A 76 -0.426 -9.716 4.236 1.00 0.00 C ATOM 991 C LEU A 76 -1.157 -10.733 3.366 1.00 0.00 C ATOM 992 O LEU A 76 -1.215 -10.599 2.140 1.00 0.00 O ATOM 993 CB LEU A 76 1.034 -10.133 4.432 1.00 0.00 C ATOM 994 CG LEU A 76 1.844 -10.311 3.149 1.00 0.00 C ATOM 995 CD1 LEU A 76 1.845 -9.030 2.336 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.267 -10.729 3.479 1.00 0.00 C ATOM 0 H LEU A 76 -0.493 -9.830 6.326 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.453 -8.751 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.528 -9.385 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.055 -11.071 4.987 1.00 0.00 H new ATOM 0 HG LEU A 76 1.378 -11.096 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.427 -9.177 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.821 -8.765 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.288 -8.226 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.833 -10.852 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.738 -9.962 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.252 -11.673 4.024 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.724 -11.740 4.018 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.460 -12.793 3.334 1.00 0.00 C ATOM 1010 C ASN A 77 -3.637 -12.213 2.559 1.00 0.00 C ATOM 1011 O ASN A 77 -3.897 -12.613 1.423 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.965 -13.822 4.344 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.526 -15.064 3.680 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -4.709 -15.126 3.340 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -2.681 -16.064 3.488 1.00 0.00 N ATOM 0 H ASN A 77 -1.687 -11.849 5.031 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.785 -13.280 2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.148 -14.107 5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.736 -13.367 4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.002 -16.925 3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.709 -15.974 3.784 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.341 -11.267 3.179 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.466 -10.601 2.529 1.00 0.00 C ATOM 1024 C GLU A 78 -5.005 -9.906 1.261 1.00 0.00 C ATOM 1025 O GLU A 78 -5.592 -10.082 0.199 1.00 0.00 O ATOM 1026 CB GLU A 78 -6.105 -9.557 3.451 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.663 -10.118 4.743 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.748 -11.150 4.523 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.826 -10.790 4.003 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -7.540 -12.324 4.888 1.00 0.00 O ATOM 0 H GLU A 78 -4.152 -10.946 4.128 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.204 -11.368 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.360 -8.798 3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.908 -9.056 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.853 -10.568 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.063 -9.301 5.344 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.924 -9.147 1.378 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.426 -8.341 0.272 1.00 0.00 C ATOM 1039 C ILE A 79 -3.060 -9.217 -0.923 1.00 0.00 C ATOM 1040 O ILE A 79 -3.474 -8.945 -2.050 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.200 -7.502 0.695 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.525 -6.661 1.938 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.745 -6.607 -0.448 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.703 -5.721 1.763 1.00 0.00 C ATOM 0 H ILE A 79 -3.373 -9.073 2.233 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.229 -7.663 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.387 -8.184 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.730 -7.331 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.645 -6.077 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.880 -6.024 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.473 -7.222 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.555 -5.933 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.865 -5.165 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.495 -5.024 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.597 -6.298 1.525 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.307 -10.280 -0.670 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.913 -11.202 -1.729 1.00 0.00 C ATOM 1058 C LYS A 80 -3.134 -11.882 -2.330 1.00 0.00 C ATOM 1059 O LYS A 80 -3.205 -12.098 -3.540 1.00 0.00 O ATOM 1060 CB LYS A 80 -0.943 -12.256 -1.200 1.00 0.00 C ATOM 1061 CG LYS A 80 0.349 -11.671 -0.670 1.00 0.00 C ATOM 1062 CD LYS A 80 1.400 -12.746 -0.459 1.00 0.00 C ATOM 1063 CE LYS A 80 2.747 -12.146 -0.096 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.803 -13.183 0.011 1.00 0.00 N ATOM 0 H LYS A 80 -1.957 -10.525 0.256 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.412 -10.624 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.430 -12.821 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.713 -12.961 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.726 -10.924 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.158 -11.157 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.077 -13.422 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.499 -13.342 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.033 -11.413 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.664 -11.613 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.707 -12.733 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.543 -13.869 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.900 -13.675 -0.900 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.089 -12.204 -1.468 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.336 -12.835 -1.875 1.00 0.00 C ATOM 1080 C ARG A 81 -6.119 -11.933 -2.819 1.00 0.00 C ATOM 1081 O ARG A 81 -6.574 -12.360 -3.879 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.172 -13.128 -0.642 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.458 -13.852 -0.945 1.00 0.00 C ATOM 1084 CD ARG A 81 -8.217 -14.143 0.327 1.00 0.00 C ATOM 1085 NE ARG A 81 -7.416 -14.897 1.295 1.00 0.00 N ATOM 1086 CZ ARG A 81 -7.915 -15.808 2.130 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -9.203 -16.124 2.086 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -7.125 -16.400 3.012 1.00 0.00 N ATOM 0 H ARG A 81 -4.020 -12.034 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.104 -13.762 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.583 -13.726 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.403 -12.189 -0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.073 -13.248 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.242 -14.784 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.538 -13.204 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.119 -14.707 0.088 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.413 -14.713 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.817 -15.669 1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.579 -16.822 2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.135 -16.159 3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.507 -17.097 3.651 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.258 -10.683 -2.417 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.990 -9.689 -3.185 1.00 0.00 C ATOM 1104 C ILE A 82 -6.307 -9.418 -4.526 1.00 0.00 C ATOM 1105 O ILE A 82 -6.967 -9.145 -5.528 1.00 0.00 O ATOM 1106 CB ILE A 82 -7.107 -8.371 -2.384 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.850 -8.621 -1.066 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.817 -7.298 -3.198 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.693 -7.513 -0.043 1.00 0.00 C ATOM 0 H ILE A 82 -5.866 -10.326 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.988 -10.083 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.101 -8.014 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.910 -8.755 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.492 -9.554 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.886 -6.382 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.255 -7.103 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.819 -7.640 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.249 -7.769 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.638 -7.392 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.079 -6.580 -0.455 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.984 -9.504 -4.541 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.215 -9.256 -5.755 1.00 0.00 C ATOM 1123 C LEU A 83 -4.233 -10.460 -6.692 1.00 0.00 C ATOM 1124 O LEU A 83 -3.918 -10.339 -7.876 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.772 -8.887 -5.408 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.591 -7.508 -4.774 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.142 -7.294 -4.365 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.039 -6.421 -5.739 1.00 0.00 C ATOM 0 H LEU A 83 -4.419 -9.744 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.686 -8.421 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.375 -9.639 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.173 -8.933 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.210 -7.454 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.033 -6.307 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.852 -8.056 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.501 -7.365 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.905 -5.444 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.443 -6.475 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.091 -6.564 -5.985 1.00 0.00 H new ATOM 1140 N SER A 84 -4.598 -11.619 -6.171 1.00 0.00 N ATOM 1141 CA SER A 84 -4.653 -12.818 -6.990 1.00 0.00 C ATOM 1142 C SER A 84 -6.065 -13.038 -7.527 1.00 0.00 C ATOM 1143 O SER A 84 -6.340 -12.605 -8.669 1.00 0.00 O ATOM 1144 CB SER A 84 -4.162 -14.038 -6.201 1.00 0.00 C ATOM 1145 OG SER A 84 -4.790 -14.126 -4.932 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.900 -13.619 -6.807 1.00 0.00 O ATOM 0 H SER A 84 -4.858 -11.755 -5.194 1.00 0.00 H new ATOM 0 HA SER A 84 -3.987 -12.684 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.363 -14.945 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.082 -13.976 -6.070 1.00 0.00 H new ATOM 0 HG SER A 84 -5.498 -13.452 -4.870 1.00 0.00 H new TER 1152 SER A 84