USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 761 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 622 LYS NZ :NH3+ 178:sc= 0.844 (180deg=0.743) USER MOD Set 1.2: A 623 SER OG : rot 180:sc= -1.06 USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.5!) USER MOD Single : A 596 SER OG : rot -57:sc= -0.758! USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -0.509 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 610 SER OG : rot -64:sc= 1.13 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 631 SER OG : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.09) USER MOD Single : A 639 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.46) USER MOD Single : A 641 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.0064) USER MOD Single : A 646 ASN : amide:sc= 0.441 K(o=0.44,f=-5.8!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.26) USER MOD Single : A 655 ASN : amide:sc= -2.33 K(o=-2.3,f=-3.4!) USER MOD Single : A 656 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.17) USER MOD Single : A 659 MET CE :methyl -128:sc= -0.705 (180deg=-3.68!) USER MOD Single : A 661 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 665 SER OG : rot -87:sc= 1.28 USER MOD Single : A 666 MET CE :methyl -110:sc= -1.42 (180deg=-3.98!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 89:sc= 0.0684 USER MOD Single : A 671 ASN : amide:sc= 0 K(o=0,f=0.67) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.270 -5.867 -0.230 1.00 73.02 N ATOM 79 CA GLU A 585 -13.359 -5.061 -1.442 1.00 30.34 C ATOM 80 C GLU A 585 -12.435 -3.865 -1.296 1.00 43.45 C ATOM 81 O GLU A 585 -12.025 -3.536 -0.173 1.00 71.01 O ATOM 82 CB GLU A 585 -14.787 -4.579 -1.708 1.00 0.33 C ATOM 83 CG GLU A 585 -15.349 -3.694 -0.620 1.00 31.35 C ATOM 84 CD GLU A 585 -16.691 -3.132 -0.974 1.00 15.33 C ATOM 85 OE1 GLU A 585 -16.740 -2.097 -1.641 1.00 12.04 O ATOM 86 OE2 GLU A 585 -17.712 -3.714 -0.578 1.00 74.53 O ATOM 0 HA GLU A 585 -13.063 -5.679 -2.289 1.00 30.34 H new ATOM 0 HB2 GLU A 585 -14.806 -4.034 -2.652 1.00 0.33 H new ATOM 0 HB3 GLU A 585 -15.436 -5.446 -1.828 1.00 0.33 H new ATOM 0 HG2 GLU A 585 -15.431 -4.267 0.304 1.00 31.35 H new ATOM 0 HG3 GLU A 585 -14.655 -2.876 -0.427 1.00 31.35 H new ATOM 93 N PHE A 586 -12.122 -3.216 -2.394 1.00 51.23 N ATOM 94 CA PHE A 586 -11.199 -2.098 -2.390 1.00 41.31 C ATOM 95 C PHE A 586 -11.905 -0.782 -2.537 1.00 63.23 C ATOM 96 O PHE A 586 -12.847 -0.652 -3.321 1.00 23.25 O ATOM 97 CB PHE A 586 -10.157 -2.260 -3.495 1.00 22.04 C ATOM 98 CG PHE A 586 -9.348 -3.472 -3.290 1.00 32.02 C ATOM 99 CD1 PHE A 586 -8.322 -3.459 -2.392 1.00 71.41 C ATOM 100 CD2 PHE A 586 -9.648 -4.648 -3.953 1.00 14.10 C ATOM 101 CE1 PHE A 586 -7.596 -4.594 -2.152 1.00 64.05 C ATOM 102 CE2 PHE A 586 -8.917 -5.787 -3.723 1.00 11.35 C ATOM 103 CZ PHE A 586 -7.889 -5.762 -2.818 1.00 71.42 C ATOM 0 H PHE A 586 -12.497 -3.445 -3.314 1.00 51.23 H new ATOM 0 HA PHE A 586 -10.699 -2.098 -1.421 1.00 41.31 H new ATOM 0 HB2 PHE A 586 -10.655 -2.311 -4.463 1.00 22.04 H new ATOM 0 HB3 PHE A 586 -9.507 -1.385 -3.517 1.00 22.04 H new ATOM 0 HD1 PHE A 586 -8.081 -2.547 -1.867 1.00 71.41 H new ATOM 0 HD2 PHE A 586 -10.465 -4.671 -4.659 1.00 14.10 H new ATOM 0 HE1 PHE A 586 -6.788 -4.573 -1.436 1.00 64.05 H new ATOM 0 HE2 PHE A 586 -9.151 -6.698 -4.253 1.00 11.35 H new ATOM 0 HZ PHE A 586 -7.311 -6.655 -2.628 1.00 71.42 H new ATOM 113 N LEU A 587 -11.481 0.176 -1.756 1.00 43.02 N ATOM 114 CA LEU A 587 -11.988 1.518 -1.842 1.00 43.01 C ATOM 115 C LEU A 587 -10.830 2.464 -1.979 1.00 34.22 C ATOM 116 O LEU A 587 -9.780 2.266 -1.358 1.00 24.25 O ATOM 117 CB LEU A 587 -12.856 1.933 -0.628 1.00 11.10 C ATOM 118 CG LEU A 587 -14.190 1.194 -0.404 1.00 22.23 C ATOM 119 CD1 LEU A 587 -13.986 -0.223 0.093 1.00 2.12 C ATOM 120 CD2 LEU A 587 -15.075 1.981 0.537 1.00 64.54 C ATOM 0 H LEU A 587 -10.769 0.045 -1.037 1.00 43.02 H new ATOM 0 HA LEU A 587 -12.641 1.560 -2.714 1.00 43.01 H new ATOM 0 HB2 LEU A 587 -12.252 1.811 0.271 1.00 11.10 H new ATOM 0 HB3 LEU A 587 -13.076 2.996 -0.723 1.00 11.10 H new ATOM 0 HG LEU A 587 -14.688 1.116 -1.370 1.00 22.23 H new ATOM 0 HD11 LEU A 587 -14.955 -0.702 0.236 1.00 2.12 H new ATOM 0 HD12 LEU A 587 -13.408 -0.786 -0.640 1.00 2.12 H new ATOM 0 HD13 LEU A 587 -13.449 -0.202 1.041 1.00 2.12 H new ATOM 0 HD21 LEU A 587 -16.014 1.447 0.686 1.00 64.54 H new ATOM 0 HD22 LEU A 587 -14.570 2.102 1.496 1.00 64.54 H new ATOM 0 HD23 LEU A 587 -15.280 2.962 0.109 1.00 64.54 H new ATOM 132 N THR A 588 -11.012 3.471 -2.767 1.00 50.24 N ATOM 133 CA THR A 588 -9.974 4.431 -3.010 1.00 34.33 C ATOM 134 C THR A 588 -10.335 5.758 -2.359 1.00 0.34 C ATOM 135 O THR A 588 -11.402 6.328 -2.621 1.00 44.21 O ATOM 136 CB THR A 588 -9.745 4.635 -4.530 1.00 54.42 C ATOM 137 OG1 THR A 588 -9.418 3.373 -5.145 1.00 43.34 O ATOM 138 CG2 THR A 588 -8.610 5.623 -4.786 1.00 33.34 C ATOM 0 H THR A 588 -11.883 3.656 -3.264 1.00 50.24 H new ATOM 0 HA THR A 588 -9.050 4.051 -2.575 1.00 34.33 H new ATOM 0 HB THR A 588 -10.663 5.036 -4.960 1.00 54.42 H new ATOM 0 HG1 THR A 588 -9.276 3.504 -6.106 1.00 43.34 H new ATOM 0 HG21 THR A 588 -8.471 5.747 -5.860 1.00 33.34 H new ATOM 0 HG22 THR A 588 -8.858 6.586 -4.338 1.00 33.34 H new ATOM 0 HG23 THR A 588 -7.690 5.243 -4.343 1.00 33.34 H new ATOM 146 N PHE A 589 -9.479 6.223 -1.501 1.00 43.42 N ATOM 147 CA PHE A 589 -9.671 7.486 -0.846 1.00 22.51 C ATOM 148 C PHE A 589 -8.507 8.380 -1.139 1.00 15.32 C ATOM 149 O PHE A 589 -7.380 7.914 -1.218 1.00 11.24 O ATOM 150 CB PHE A 589 -9.810 7.307 0.665 1.00 41.35 C ATOM 151 CG PHE A 589 -11.010 6.518 1.032 1.00 21.20 C ATOM 152 CD1 PHE A 589 -12.246 6.934 0.613 1.00 63.51 C ATOM 153 CD2 PHE A 589 -10.906 5.356 1.764 1.00 61.12 C ATOM 154 CE1 PHE A 589 -13.361 6.228 0.915 1.00 24.22 C ATOM 155 CE2 PHE A 589 -12.031 4.630 2.079 1.00 74.41 C ATOM 156 CZ PHE A 589 -13.267 5.066 1.650 1.00 1.34 C ATOM 0 H PHE A 589 -8.623 5.737 -1.233 1.00 43.42 H new ATOM 0 HA PHE A 589 -10.590 7.934 -1.224 1.00 22.51 H new ATOM 0 HB2 PHE A 589 -8.920 6.811 1.053 1.00 41.35 H new ATOM 0 HB3 PHE A 589 -9.863 8.286 1.141 1.00 41.35 H new ATOM 0 HD1 PHE A 589 -12.332 7.840 0.032 1.00 63.51 H new ATOM 0 HD2 PHE A 589 -9.936 5.013 2.092 1.00 61.12 H new ATOM 0 HE1 PHE A 589 -14.327 6.576 0.579 1.00 24.22 H new ATOM 0 HE2 PHE A 589 -11.947 3.723 2.659 1.00 74.41 H new ATOM 0 HZ PHE A 589 -14.156 4.500 1.889 1.00 1.34 H new ATOM 166 N GLU A 590 -8.758 9.636 -1.326 1.00 14.43 N ATOM 167 CA GLU A 590 -7.694 10.572 -1.554 1.00 51.31 C ATOM 168 C GLU A 590 -7.735 11.656 -0.514 1.00 44.14 C ATOM 169 O GLU A 590 -8.789 12.219 -0.218 1.00 60.23 O ATOM 170 CB GLU A 590 -7.706 11.118 -2.981 1.00 72.12 C ATOM 171 CG GLU A 590 -7.466 10.033 -4.021 1.00 4.34 C ATOM 172 CD GLU A 590 -7.499 10.540 -5.424 1.00 3.21 C ATOM 173 OE1 GLU A 590 -8.599 10.616 -6.008 1.00 34.51 O ATOM 174 OE2 GLU A 590 -6.436 10.846 -5.980 1.00 4.44 O ATOM 0 H GLU A 590 -9.693 10.043 -1.326 1.00 14.43 H new ATOM 0 HA GLU A 590 -6.743 10.049 -1.452 1.00 51.31 H new ATOM 0 HB2 GLU A 590 -8.665 11.597 -3.175 1.00 72.12 H new ATOM 0 HB3 GLU A 590 -6.940 11.887 -3.079 1.00 72.12 H new ATOM 0 HG2 GLU A 590 -6.498 9.568 -3.833 1.00 4.34 H new ATOM 0 HG3 GLU A 590 -8.221 9.256 -3.905 1.00 4.34 H new ATOM 181 N VAL A 591 -6.608 11.922 0.043 1.00 45.10 N ATOM 182 CA VAL A 591 -6.472 12.832 1.141 1.00 0.32 C ATOM 183 C VAL A 591 -5.531 13.940 0.752 1.00 64.50 C ATOM 184 O VAL A 591 -4.383 13.693 0.453 1.00 53.03 O ATOM 185 CB VAL A 591 -5.902 12.080 2.371 1.00 4.21 C ATOM 186 CG1 VAL A 591 -5.725 13.012 3.563 1.00 21.13 C ATOM 187 CG2 VAL A 591 -6.819 10.935 2.735 1.00 20.44 C ATOM 0 H VAL A 591 -5.726 11.505 -0.255 1.00 45.10 H new ATOM 0 HA VAL A 591 -7.447 13.249 1.392 1.00 0.32 H new ATOM 0 HB VAL A 591 -4.918 11.691 2.108 1.00 4.21 H new ATOM 0 HG11 VAL A 591 -5.324 12.451 4.407 1.00 21.13 H new ATOM 0 HG12 VAL A 591 -5.035 13.813 3.299 1.00 21.13 H new ATOM 0 HG13 VAL A 591 -6.690 13.439 3.837 1.00 21.13 H new ATOM 0 HG21 VAL A 591 -6.417 10.407 3.600 1.00 20.44 H new ATOM 0 HG22 VAL A 591 -7.809 11.324 2.975 1.00 20.44 H new ATOM 0 HG23 VAL A 591 -6.894 10.247 1.893 1.00 20.44 H new ATOM 197 N PRO A 592 -5.995 15.162 0.719 1.00 44.34 N ATOM 198 CA PRO A 592 -5.149 16.271 0.385 1.00 70.22 C ATOM 199 C PRO A 592 -4.279 16.679 1.573 1.00 71.53 C ATOM 200 O PRO A 592 -4.682 16.525 2.743 1.00 61.15 O ATOM 201 CB PRO A 592 -6.142 17.364 0.014 1.00 75.11 C ATOM 202 CG PRO A 592 -7.336 17.074 0.842 1.00 30.53 C ATOM 203 CD PRO A 592 -7.383 15.580 1.005 1.00 22.15 C ATOM 0 HA PRO A 592 -4.445 16.050 -0.417 1.00 70.22 H new ATOM 0 HB2 PRO A 592 -5.741 18.355 0.228 1.00 75.11 H new ATOM 0 HB3 PRO A 592 -6.380 17.340 -1.049 1.00 75.11 H new ATOM 0 HG2 PRO A 592 -7.267 17.569 1.811 1.00 30.53 H new ATOM 0 HG3 PRO A 592 -8.242 17.441 0.360 1.00 30.53 H new ATOM 0 HD2 PRO A 592 -7.690 15.295 2.011 1.00 22.15 H new ATOM 0 HD3 PRO A 592 -8.091 15.122 0.314 1.00 22.15 H new ATOM 211 N LEU A 593 -3.089 17.162 1.286 1.00 51.03 N ATOM 212 CA LEU A 593 -2.184 17.629 2.321 1.00 40.04 C ATOM 213 C LEU A 593 -2.648 18.975 2.853 1.00 72.44 C ATOM 214 O LEU A 593 -2.163 20.036 2.449 1.00 0.30 O ATOM 215 CB LEU A 593 -0.692 17.663 1.870 1.00 42.15 C ATOM 216 CG LEU A 593 0.101 16.319 1.786 1.00 5.04 C ATOM 217 CD1 LEU A 593 0.311 15.715 3.162 1.00 53.13 C ATOM 218 CD2 LEU A 593 -0.578 15.309 0.879 1.00 12.14 C ATOM 0 H LEU A 593 -2.721 17.243 0.338 1.00 51.03 H new ATOM 0 HA LEU A 593 -2.219 16.901 3.131 1.00 40.04 H new ATOM 0 HB2 LEU A 593 -0.656 18.130 0.886 1.00 42.15 H new ATOM 0 HB3 LEU A 593 -0.155 18.320 2.554 1.00 42.15 H new ATOM 0 HG LEU A 593 1.072 16.561 1.354 1.00 5.04 H new ATOM 0 HD11 LEU A 593 0.866 14.781 3.069 1.00 53.13 H new ATOM 0 HD12 LEU A 593 0.875 16.411 3.783 1.00 53.13 H new ATOM 0 HD13 LEU A 593 -0.656 15.518 3.624 1.00 53.13 H new ATOM 0 HD21 LEU A 593 0.010 14.391 0.852 1.00 12.14 H new ATOM 0 HD22 LEU A 593 -1.575 15.090 1.260 1.00 12.14 H new ATOM 0 HD23 LEU A 593 -0.656 15.719 -0.128 1.00 12.14 H new ATOM 230 N ASN A 594 -3.658 18.908 3.688 1.00 41.54 N ATOM 231 CA ASN A 594 -4.275 20.095 4.300 1.00 24.22 C ATOM 232 C ASN A 594 -3.935 20.174 5.773 1.00 5.14 C ATOM 233 O ASN A 594 -3.085 20.954 6.183 1.00 23.04 O ATOM 234 CB ASN A 594 -5.814 20.104 4.107 1.00 0.34 C ATOM 235 CG ASN A 594 -6.272 20.318 2.665 1.00 55.44 C ATOM 236 OD1 ASN A 594 -5.580 19.967 1.702 1.00 41.42 O ATOM 237 ND2 ASN A 594 -7.439 20.890 2.506 1.00 45.42 N ATOM 0 H ASN A 594 -4.089 18.029 3.974 1.00 41.54 H new ATOM 0 HA ASN A 594 -3.868 20.971 3.794 1.00 24.22 H new ATOM 0 HB2 ASN A 594 -6.218 19.157 4.466 1.00 0.34 H new ATOM 0 HB3 ASN A 594 -6.241 20.890 4.731 1.00 0.34 H new ATOM 0 HD21 ASN A 594 -7.801 21.058 1.567 1.00 45.42 H new ATOM 0 HD22 ASN A 594 -7.986 21.168 3.321 1.00 45.42 H new ATOM 244 N ASP A 595 -4.575 19.322 6.570 1.00 3.42 N ATOM 245 CA ASP A 595 -4.331 19.248 8.028 1.00 5.13 C ATOM 246 C ASP A 595 -3.170 18.338 8.329 1.00 65.31 C ATOM 247 O ASP A 595 -3.054 17.752 9.414 1.00 14.52 O ATOM 248 CB ASP A 595 -5.585 18.793 8.778 1.00 22.22 C ATOM 249 CG ASP A 595 -6.626 19.873 8.851 1.00 42.41 C ATOM 250 OD1 ASP A 595 -6.560 20.701 9.789 1.00 73.13 O ATOM 251 OD2 ASP A 595 -7.521 19.930 7.981 1.00 13.24 O ATOM 0 H ASP A 595 -5.277 18.661 6.236 1.00 3.42 H new ATOM 0 HA ASP A 595 -4.080 20.250 8.375 1.00 5.13 H new ATOM 0 HB2 ASP A 595 -6.006 17.918 8.282 1.00 22.22 H new ATOM 0 HB3 ASP A 595 -5.311 18.486 9.787 1.00 22.22 H new ATOM 256 N SER A 596 -2.278 18.293 7.400 1.00 24.31 N ATOM 257 CA SER A 596 -1.125 17.467 7.432 1.00 73.51 C ATOM 258 C SER A 596 -0.069 17.986 8.389 1.00 24.32 C ATOM 259 O SER A 596 0.934 17.334 8.623 1.00 14.23 O ATOM 260 CB SER A 596 -0.603 17.394 6.039 1.00 1.13 C ATOM 261 OG SER A 596 -1.651 16.948 5.202 1.00 70.34 O ATOM 0 H SER A 596 -2.338 18.861 6.555 1.00 24.31 H new ATOM 0 HA SER A 596 -1.390 16.476 7.802 1.00 73.51 H new ATOM 0 HB2 SER A 596 -0.246 18.371 5.714 1.00 1.13 H new ATOM 0 HB3 SER A 596 0.245 16.711 5.985 1.00 1.13 H new ATOM 0 HG SER A 596 -1.982 16.084 5.524 1.00 70.34 H new ATOM 267 N GLY A 597 -0.307 19.134 8.956 1.00 54.34 N ATOM 268 CA GLY A 597 0.614 19.668 9.894 1.00 74.33 C ATOM 269 C GLY A 597 0.374 19.078 11.268 1.00 35.33 C ATOM 270 O GLY A 597 1.252 19.085 12.117 1.00 22.02 O ATOM 0 H GLY A 597 -1.130 19.710 8.780 1.00 54.34 H new ATOM 0 HA2 GLY A 597 1.634 19.455 9.573 1.00 74.33 H new ATOM 0 HA3 GLY A 597 0.513 20.753 9.935 1.00 74.33 H new ATOM 274 N SER A 598 -0.832 18.551 11.474 1.00 2.31 N ATOM 275 CA SER A 598 -1.173 17.908 12.731 1.00 35.23 C ATOM 276 C SER A 598 -0.537 16.526 12.806 1.00 2.34 C ATOM 277 O SER A 598 -0.285 15.998 13.887 1.00 50.03 O ATOM 278 CB SER A 598 -2.692 17.831 12.896 1.00 24.42 C ATOM 279 OG SER A 598 -3.266 19.135 12.856 1.00 63.40 O ATOM 0 H SER A 598 -1.584 18.559 10.785 1.00 2.31 H new ATOM 0 HA SER A 598 -0.778 18.505 13.553 1.00 35.23 H new ATOM 0 HB2 SER A 598 -3.119 17.215 12.104 1.00 24.42 H new ATOM 0 HB3 SER A 598 -2.937 17.349 13.842 1.00 24.42 H new ATOM 0 HG SER A 598 -4.238 19.068 12.961 1.00 63.40 H new ATOM 285 N ALA A 599 -0.287 15.968 11.643 1.00 34.30 N ATOM 286 CA ALA A 599 0.370 14.672 11.506 1.00 21.04 C ATOM 287 C ALA A 599 0.816 14.476 10.070 1.00 54.32 C ATOM 288 O ALA A 599 2.008 14.499 9.751 1.00 54.21 O ATOM 289 CB ALA A 599 -0.567 13.536 11.936 1.00 63.24 C ATOM 0 H ALA A 599 -0.534 16.399 10.752 1.00 34.30 H new ATOM 0 HA ALA A 599 1.243 14.651 12.158 1.00 21.04 H new ATOM 0 HB1 ALA A 599 -0.055 12.580 11.825 1.00 63.24 H new ATOM 0 HB2 ALA A 599 -0.853 13.675 12.978 1.00 63.24 H new ATOM 0 HB3 ALA A 599 -1.460 13.544 11.311 1.00 63.24 H new ATOM 295 N GLY A 600 -0.155 14.338 9.227 1.00 31.42 N ATOM 296 CA GLY A 600 0.035 14.126 7.813 1.00 74.50 C ATOM 297 C GLY A 600 -1.298 13.810 7.217 1.00 0.40 C ATOM 298 O GLY A 600 -1.869 14.594 6.465 1.00 13.22 O ATOM 0 H GLY A 600 -1.136 14.369 9.504 1.00 31.42 H new ATOM 0 HA2 GLY A 600 0.461 15.015 7.347 1.00 74.50 H new ATOM 0 HA3 GLY A 600 0.735 13.308 7.640 1.00 74.50 H new ATOM 302 N LEU A 601 -1.806 12.688 7.572 1.00 72.11 N ATOM 303 CA LEU A 601 -3.157 12.325 7.222 1.00 1.32 C ATOM 304 C LEU A 601 -3.987 12.357 8.473 1.00 53.13 C ATOM 305 O LEU A 601 -5.157 12.770 8.458 1.00 63.23 O ATOM 306 CB LEU A 601 -3.253 10.940 6.556 1.00 24.44 C ATOM 307 CG LEU A 601 -2.743 10.793 5.111 1.00 34.44 C ATOM 308 CD1 LEU A 601 -1.253 11.019 5.003 1.00 61.30 C ATOM 309 CD2 LEU A 601 -3.121 9.440 4.559 1.00 70.33 C ATOM 0 H LEU A 601 -1.307 11.983 8.115 1.00 72.11 H new ATOM 0 HA LEU A 601 -3.525 13.041 6.487 1.00 1.32 H new ATOM 0 HB2 LEU A 601 -2.703 10.233 7.177 1.00 24.44 H new ATOM 0 HB3 LEU A 601 -4.299 10.634 6.573 1.00 24.44 H new ATOM 0 HG LEU A 601 -3.224 11.568 4.514 1.00 34.44 H new ATOM 0 HD11 LEU A 601 -0.942 10.904 3.965 1.00 61.30 H new ATOM 0 HD12 LEU A 601 -1.012 12.025 5.345 1.00 61.30 H new ATOM 0 HD13 LEU A 601 -0.729 10.290 5.621 1.00 61.30 H new ATOM 0 HD21 LEU A 601 -2.754 9.349 3.537 1.00 70.33 H new ATOM 0 HD22 LEU A 601 -2.676 8.659 5.175 1.00 70.33 H new ATOM 0 HD23 LEU A 601 -4.206 9.334 4.566 1.00 70.33 H new ATOM 321 N GLY A 602 -3.366 11.926 9.546 1.00 3.15 N ATOM 322 CA GLY A 602 -3.957 11.894 10.820 1.00 44.05 C ATOM 323 C GLY A 602 -4.583 10.563 11.062 1.00 3.21 C ATOM 324 O GLY A 602 -5.730 10.463 11.482 1.00 33.40 O ATOM 0 H GLY A 602 -2.406 11.582 9.533 1.00 3.15 H new ATOM 0 HA2 GLY A 602 -3.205 12.095 11.583 1.00 44.05 H new ATOM 0 HA3 GLY A 602 -4.710 12.678 10.900 1.00 44.05 H new ATOM 328 N VAL A 603 -3.848 9.526 10.746 1.00 53.53 N ATOM 329 CA VAL A 603 -4.279 8.182 10.996 1.00 60.44 C ATOM 330 C VAL A 603 -3.103 7.455 11.618 1.00 74.32 C ATOM 331 O VAL A 603 -1.954 7.824 11.389 1.00 42.42 O ATOM 332 CB VAL A 603 -4.643 7.440 9.667 1.00 4.03 C ATOM 333 CG1 VAL A 603 -5.310 6.117 9.935 1.00 35.44 C ATOM 334 CG2 VAL A 603 -5.473 8.291 8.734 1.00 14.43 C ATOM 0 H VAL A 603 -2.930 9.596 10.306 1.00 53.53 H new ATOM 0 HA VAL A 603 -5.161 8.199 11.637 1.00 60.44 H new ATOM 0 HB VAL A 603 -3.699 7.243 9.158 1.00 4.03 H new ATOM 0 HG11 VAL A 603 -5.548 5.631 8.989 1.00 35.44 H new ATOM 0 HG12 VAL A 603 -4.638 5.481 10.511 1.00 35.44 H new ATOM 0 HG13 VAL A 603 -6.228 6.280 10.500 1.00 35.44 H new ATOM 0 HG21 VAL A 603 -5.696 7.727 7.829 1.00 14.43 H new ATOM 0 HG22 VAL A 603 -6.404 8.569 9.227 1.00 14.43 H new ATOM 0 HG23 VAL A 603 -4.918 9.192 8.472 1.00 14.43 H new ATOM 344 N SER A 604 -3.357 6.466 12.402 1.00 14.02 N ATOM 345 CA SER A 604 -2.316 5.679 12.900 1.00 74.32 C ATOM 346 C SER A 604 -2.553 4.257 12.464 1.00 34.05 C ATOM 347 O SER A 604 -3.663 3.713 12.619 1.00 74.41 O ATOM 348 CB SER A 604 -2.244 5.785 14.398 1.00 53.32 C ATOM 349 OG SER A 604 -2.169 7.138 14.810 1.00 52.33 O ATOM 0 H SER A 604 -4.291 6.192 12.707 1.00 14.02 H new ATOM 0 HA SER A 604 -1.360 6.026 12.508 1.00 74.32 H new ATOM 0 HB2 SER A 604 -3.121 5.315 14.842 1.00 53.32 H new ATOM 0 HB3 SER A 604 -1.372 5.242 14.763 1.00 53.32 H new ATOM 0 HG SER A 604 -2.125 7.180 15.788 1.00 52.33 H new ATOM 355 N VAL A 605 -1.554 3.666 11.927 1.00 53.52 N ATOM 356 CA VAL A 605 -1.633 2.337 11.430 1.00 63.22 C ATOM 357 C VAL A 605 -0.608 1.466 12.073 1.00 42.21 C ATOM 358 O VAL A 605 0.368 1.941 12.599 1.00 23.24 O ATOM 359 CB VAL A 605 -1.441 2.257 9.894 1.00 35.24 C ATOM 360 CG1 VAL A 605 -2.670 2.718 9.150 1.00 20.43 C ATOM 361 CG2 VAL A 605 -0.232 3.076 9.430 1.00 62.23 C ATOM 0 H VAL A 605 -0.637 4.098 11.816 1.00 53.52 H new ATOM 0 HA VAL A 605 -2.637 1.990 11.673 1.00 63.22 H new ATOM 0 HB VAL A 605 -1.265 1.206 9.664 1.00 35.24 H new ATOM 0 HG11 VAL A 605 -2.494 2.646 8.077 1.00 20.43 H new ATOM 0 HG12 VAL A 605 -3.517 2.088 9.422 1.00 20.43 H new ATOM 0 HG13 VAL A 605 -2.888 3.753 9.413 1.00 20.43 H new ATOM 0 HG21 VAL A 605 -0.131 2.994 8.348 1.00 62.23 H new ATOM 0 HG22 VAL A 605 -0.374 4.122 9.703 1.00 62.23 H new ATOM 0 HG23 VAL A 605 0.670 2.695 9.908 1.00 62.23 H new ATOM 371 N LYS A 606 -0.862 0.216 12.066 1.00 41.32 N ATOM 372 CA LYS A 606 0.063 -0.759 12.571 1.00 43.43 C ATOM 373 C LYS A 606 -0.118 -2.036 11.814 1.00 65.42 C ATOM 374 O LYS A 606 -1.203 -2.291 11.279 1.00 5.11 O ATOM 375 CB LYS A 606 -0.022 -1.021 14.089 1.00 62.23 C ATOM 376 CG LYS A 606 -1.201 -1.837 14.572 1.00 32.45 C ATOM 377 CD LYS A 606 -0.930 -2.288 15.997 1.00 15.44 C ATOM 378 CE LYS A 606 -1.990 -3.226 16.532 1.00 21.45 C ATOM 379 NZ LYS A 606 -1.614 -3.736 17.870 1.00 22.15 N ATOM 0 H LYS A 606 -1.730 -0.181 11.706 1.00 41.32 H new ATOM 0 HA LYS A 606 1.058 -0.341 12.418 1.00 43.43 H new ATOM 0 HB2 LYS A 606 0.892 -1.527 14.399 1.00 62.23 H new ATOM 0 HB3 LYS A 606 -0.042 -0.058 14.600 1.00 62.23 H new ATOM 0 HG2 LYS A 606 -2.114 -1.243 14.531 1.00 32.45 H new ATOM 0 HG3 LYS A 606 -1.353 -2.701 13.925 1.00 32.45 H new ATOM 0 HD2 LYS A 606 0.040 -2.784 16.037 1.00 15.44 H new ATOM 0 HD3 LYS A 606 -0.867 -1.413 16.644 1.00 15.44 H new ATOM 0 HE2 LYS A 606 -2.946 -2.706 16.592 1.00 21.45 H new ATOM 0 HE3 LYS A 606 -2.124 -4.061 15.844 1.00 21.45 H new ATOM 0 HZ1 LYS A 606 -2.355 -4.377 18.218 1.00 22.15 H new ATOM 0 HZ2 LYS A 606 -0.713 -4.251 17.805 1.00 22.15 H new ATOM 0 HZ3 LYS A 606 -1.509 -2.938 18.529 1.00 22.15 H new ATOM 393 N GLY A 607 0.898 -2.819 11.742 1.00 52.33 N ATOM 394 CA GLY A 607 0.782 -4.049 11.040 1.00 51.04 C ATOM 395 C GLY A 607 0.674 -5.208 11.979 1.00 33.02 C ATOM 396 O GLY A 607 1.096 -5.122 13.138 1.00 45.23 O ATOM 0 H GLY A 607 1.812 -2.634 12.156 1.00 52.33 H new ATOM 0 HA2 GLY A 607 -0.096 -4.019 10.395 1.00 51.04 H new ATOM 0 HA3 GLY A 607 1.649 -4.183 10.393 1.00 51.04 H new ATOM 400 N ASN A 608 0.104 -6.278 11.496 1.00 32.01 N ATOM 401 CA ASN A 608 -0.094 -7.474 12.288 1.00 13.14 C ATOM 402 C ASN A 608 0.563 -8.644 11.607 1.00 14.35 C ATOM 403 O ASN A 608 0.611 -8.710 10.366 1.00 43.41 O ATOM 404 CB ASN A 608 -1.595 -7.770 12.511 1.00 31.35 C ATOM 405 CG ASN A 608 -2.310 -6.727 13.360 1.00 22.10 C ATOM 406 OD1 ASN A 608 -2.836 -5.741 12.851 1.00 54.10 O ATOM 407 ND2 ASN A 608 -2.354 -6.946 14.648 1.00 51.12 N ATOM 0 H ASN A 608 -0.240 -6.351 10.538 1.00 32.01 H new ATOM 0 HA ASN A 608 0.360 -7.311 13.265 1.00 13.14 H new ATOM 0 HB2 ASN A 608 -2.090 -7.837 11.542 1.00 31.35 H new ATOM 0 HB3 ASN A 608 -1.696 -8.745 12.989 1.00 31.35 H new ATOM 0 HD21 ASN A 608 -2.835 -6.288 15.261 1.00 51.12 H new ATOM 0 HD22 ASN A 608 -1.907 -7.775 15.040 1.00 51.12 H new ATOM 414 N ARG A 609 1.060 -9.566 12.383 1.00 42.34 N ATOM 415 CA ARG A 609 1.734 -10.716 11.850 1.00 71.22 C ATOM 416 C ARG A 609 1.094 -11.959 12.450 1.00 40.41 C ATOM 417 O ARG A 609 0.982 -12.073 13.662 1.00 43.11 O ATOM 418 CB ARG A 609 3.260 -10.599 12.164 1.00 3.44 C ATOM 419 CG ARG A 609 4.198 -11.656 11.534 1.00 23.40 C ATOM 420 CD ARG A 609 4.046 -13.050 12.131 1.00 1.24 C ATOM 421 NE ARG A 609 4.346 -13.083 13.567 1.00 73.31 N ATOM 422 CZ ARG A 609 4.603 -14.198 14.267 1.00 22.32 C ATOM 423 NH1 ARG A 609 4.686 -15.377 13.650 1.00 11.32 N ATOM 424 NH2 ARG A 609 4.797 -14.130 15.574 1.00 13.50 N ATOM 0 H ARG A 609 1.009 -9.541 13.401 1.00 42.34 H new ATOM 0 HA ARG A 609 1.637 -10.782 10.766 1.00 71.22 H new ATOM 0 HB2 ARG A 609 3.596 -9.614 11.840 1.00 3.44 H new ATOM 0 HB3 ARG A 609 3.386 -10.639 13.246 1.00 3.44 H new ATOM 0 HG2 ARG A 609 4.004 -11.707 10.463 1.00 23.40 H new ATOM 0 HG3 ARG A 609 5.231 -11.330 11.656 1.00 23.40 H new ATOM 0 HD2 ARG A 609 3.027 -13.402 11.968 1.00 1.24 H new ATOM 0 HD3 ARG A 609 4.709 -13.740 11.609 1.00 1.24 H new ATOM 0 HE ARG A 609 4.360 -12.195 14.069 1.00 73.31 H new ATOM 0 HH11 ARG A 609 4.554 -15.435 12.640 1.00 11.32 H new ATOM 0 HH12 ARG A 609 4.882 -16.221 14.188 1.00 11.32 H new ATOM 0 HH21 ARG A 609 4.751 -13.229 16.050 1.00 13.50 H new ATOM 0 HH22 ARG A 609 4.992 -14.978 16.105 1.00 13.50 H new ATOM 438 N SER A 610 0.659 -12.862 11.594 1.00 74.54 N ATOM 439 CA SER A 610 -0.006 -14.081 12.058 1.00 13.34 C ATOM 440 C SER A 610 0.991 -15.115 12.598 1.00 11.44 C ATOM 441 O SER A 610 1.989 -15.444 11.939 1.00 23.25 O ATOM 442 CB SER A 610 -0.860 -14.702 10.950 1.00 33.30 C ATOM 443 OG SER A 610 -0.087 -14.978 9.799 1.00 21.51 O ATOM 0 H SER A 610 0.749 -12.784 10.581 1.00 74.54 H new ATOM 0 HA SER A 610 -0.658 -13.786 12.880 1.00 13.34 H new ATOM 0 HB2 SER A 610 -1.317 -15.623 11.313 1.00 33.30 H new ATOM 0 HB3 SER A 610 -1.673 -14.023 10.691 1.00 33.30 H new ATOM 0 HG SER A 610 0.245 -14.138 9.419 1.00 21.51 H new ATOM 518 N ALA A 615 2.368 -15.614 8.270 1.00 63.22 N ATOM 519 CA ALA A 615 2.542 -14.549 7.310 1.00 3.44 C ATOM 520 C ALA A 615 2.159 -13.242 7.954 1.00 4.20 C ATOM 521 O ALA A 615 1.646 -13.228 9.071 1.00 73.31 O ATOM 522 CB ALA A 615 1.673 -14.805 6.096 1.00 22.24 C ATOM 0 HA ALA A 615 3.583 -14.506 6.991 1.00 3.44 H new ATOM 0 HB1 ALA A 615 1.808 -13.999 5.375 1.00 22.24 H new ATOM 0 HB2 ALA A 615 1.957 -15.752 5.638 1.00 22.24 H new ATOM 0 HB3 ALA A 615 0.627 -14.848 6.400 1.00 22.24 H new ATOM 528 N ASP A 616 2.407 -12.157 7.312 1.00 1.53 N ATOM 529 CA ASP A 616 1.952 -10.912 7.855 1.00 25.14 C ATOM 530 C ASP A 616 0.584 -10.618 7.300 1.00 0.14 C ATOM 531 O ASP A 616 0.283 -10.966 6.162 1.00 50.53 O ATOM 532 CB ASP A 616 2.937 -9.751 7.640 1.00 33.43 C ATOM 533 CG ASP A 616 3.174 -9.394 6.197 1.00 44.55 C ATOM 534 OD1 ASP A 616 4.016 -10.050 5.556 1.00 45.43 O ATOM 535 OD2 ASP A 616 2.546 -8.433 5.705 1.00 14.53 O ATOM 0 H ASP A 616 2.911 -12.096 6.427 1.00 1.53 H new ATOM 0 HA ASP A 616 1.892 -11.011 8.939 1.00 25.14 H new ATOM 0 HB2 ASP A 616 2.562 -8.871 8.162 1.00 33.43 H new ATOM 0 HB3 ASP A 616 3.891 -10.011 8.099 1.00 33.43 H new ATOM 540 N LEU A 617 -0.248 -10.016 8.108 1.00 21.32 N ATOM 541 CA LEU A 617 -1.626 -9.752 7.726 1.00 3.21 C ATOM 542 C LEU A 617 -1.726 -8.418 7.030 1.00 60.23 C ATOM 543 O LEU A 617 -2.787 -8.015 6.573 1.00 20.01 O ATOM 544 CB LEU A 617 -2.534 -9.781 8.962 1.00 10.11 C ATOM 545 CG LEU A 617 -2.590 -11.105 9.738 1.00 25.40 C ATOM 546 CD1 LEU A 617 -3.492 -10.969 10.953 1.00 23.33 C ATOM 547 CD2 LEU A 617 -3.075 -12.241 8.839 1.00 62.33 C ATOM 0 H LEU A 617 -0.001 -9.694 9.044 1.00 21.32 H new ATOM 0 HA LEU A 617 -1.955 -10.529 7.036 1.00 3.21 H new ATOM 0 HB2 LEU A 617 -2.205 -8.998 9.646 1.00 10.11 H new ATOM 0 HB3 LEU A 617 -3.546 -9.526 8.648 1.00 10.11 H new ATOM 0 HG LEU A 617 -1.582 -11.345 10.077 1.00 25.40 H new ATOM 0 HD11 LEU A 617 -3.521 -11.916 11.492 1.00 23.33 H new ATOM 0 HD12 LEU A 617 -3.104 -10.190 11.609 1.00 23.33 H new ATOM 0 HD13 LEU A 617 -4.499 -10.704 10.631 1.00 23.33 H new ATOM 0 HD21 LEU A 617 -3.107 -13.169 9.410 1.00 62.33 H new ATOM 0 HD22 LEU A 617 -4.073 -12.010 8.467 1.00 62.33 H new ATOM 0 HD23 LEU A 617 -2.392 -12.356 7.998 1.00 62.33 H new ATOM 559 N GLY A 618 -0.620 -7.751 6.952 1.00 4.22 N ATOM 560 CA GLY A 618 -0.581 -6.471 6.308 1.00 21.11 C ATOM 561 C GLY A 618 -0.600 -5.348 7.306 1.00 31.30 C ATOM 562 O GLY A 618 -0.310 -5.559 8.491 1.00 35.24 O ATOM 0 H GLY A 618 0.273 -8.070 7.327 1.00 4.22 H new ATOM 0 HA2 GLY A 618 0.318 -6.399 5.695 1.00 21.11 H new ATOM 0 HA3 GLY A 618 -1.434 -6.375 5.636 1.00 21.11 H new ATOM 566 N ILE A 619 -0.951 -4.162 6.844 1.00 32.03 N ATOM 567 CA ILE A 619 -0.971 -2.978 7.682 1.00 51.44 C ATOM 568 C ILE A 619 -2.428 -2.526 7.851 1.00 2.42 C ATOM 569 O ILE A 619 -3.160 -2.416 6.864 1.00 20.41 O ATOM 570 CB ILE A 619 -0.144 -1.822 7.027 1.00 21.44 C ATOM 571 CG1 ILE A 619 1.316 -2.264 6.702 1.00 45.40 C ATOM 572 CG2 ILE A 619 -0.139 -0.576 7.911 1.00 30.12 C ATOM 573 CD1 ILE A 619 2.152 -2.699 7.900 1.00 2.32 C ATOM 0 H ILE A 619 -1.230 -3.993 5.878 1.00 32.03 H new ATOM 0 HA ILE A 619 -0.527 -3.215 8.649 1.00 51.44 H new ATOM 0 HB ILE A 619 -0.635 -1.576 6.085 1.00 21.44 H new ATOM 0 HG12 ILE A 619 1.277 -3.088 5.990 1.00 45.40 H new ATOM 0 HG13 ILE A 619 1.825 -1.438 6.206 1.00 45.40 H new ATOM 0 HG21 ILE A 619 0.443 0.209 7.429 1.00 30.12 H new ATOM 0 HG22 ILE A 619 -1.162 -0.230 8.059 1.00 30.12 H new ATOM 0 HG23 ILE A 619 0.305 -0.817 8.877 1.00 30.12 H new ATOM 0 HD11 ILE A 619 3.148 -2.986 7.564 1.00 2.32 H new ATOM 0 HD12 ILE A 619 2.231 -1.873 8.607 1.00 2.32 H new ATOM 0 HD13 ILE A 619 1.675 -3.549 8.387 1.00 2.32 H new ATOM 585 N PHE A 620 -2.845 -2.280 9.074 1.00 42.23 N ATOM 586 CA PHE A 620 -4.225 -1.894 9.350 1.00 41.24 C ATOM 587 C PHE A 620 -4.285 -0.605 10.136 1.00 14.35 C ATOM 588 O PHE A 620 -3.378 -0.302 10.921 1.00 33.54 O ATOM 589 CB PHE A 620 -4.931 -2.960 10.189 1.00 12.03 C ATOM 590 CG PHE A 620 -5.042 -4.317 9.577 1.00 40.31 C ATOM 591 CD1 PHE A 620 -4.049 -5.265 9.774 1.00 21.34 C ATOM 592 CD2 PHE A 620 -6.151 -4.657 8.830 1.00 13.02 C ATOM 593 CE1 PHE A 620 -4.164 -6.522 9.235 1.00 14.42 C ATOM 594 CE2 PHE A 620 -6.268 -5.911 8.285 1.00 62.51 C ATOM 595 CZ PHE A 620 -5.276 -6.847 8.487 1.00 5.21 C ATOM 0 H PHE A 620 -2.251 -2.339 9.901 1.00 42.23 H new ATOM 0 HA PHE A 620 -4.713 -1.775 8.383 1.00 41.24 H new ATOM 0 HB2 PHE A 620 -4.402 -3.055 11.137 1.00 12.03 H new ATOM 0 HB3 PHE A 620 -5.936 -2.605 10.418 1.00 12.03 H new ATOM 0 HD1 PHE A 620 -3.176 -5.011 10.358 1.00 21.34 H new ATOM 0 HD2 PHE A 620 -6.934 -3.930 8.673 1.00 13.02 H new ATOM 0 HE1 PHE A 620 -3.386 -7.254 9.396 1.00 14.42 H new ATOM 0 HE2 PHE A 620 -7.138 -6.165 7.697 1.00 62.51 H new ATOM 0 HZ PHE A 620 -5.370 -7.834 8.060 1.00 5.21 H new ATOM 605 N VAL A 621 -5.337 0.156 9.920 1.00 24.34 N ATOM 606 CA VAL A 621 -5.615 1.324 10.739 1.00 33.42 C ATOM 607 C VAL A 621 -5.994 0.872 12.131 1.00 73.40 C ATOM 608 O VAL A 621 -6.807 -0.047 12.310 1.00 52.01 O ATOM 609 CB VAL A 621 -6.744 2.206 10.153 1.00 43.12 C ATOM 610 CG1 VAL A 621 -7.057 3.375 11.074 1.00 2.21 C ATOM 611 CG2 VAL A 621 -6.354 2.719 8.791 1.00 13.31 C ATOM 0 H VAL A 621 -6.019 -0.012 9.181 1.00 24.34 H new ATOM 0 HA VAL A 621 -4.712 1.934 10.763 1.00 33.42 H new ATOM 0 HB VAL A 621 -7.638 1.590 10.061 1.00 43.12 H new ATOM 0 HG11 VAL A 621 -7.853 3.978 10.638 1.00 2.21 H new ATOM 0 HG12 VAL A 621 -7.377 2.998 12.045 1.00 2.21 H new ATOM 0 HG13 VAL A 621 -6.165 3.988 11.200 1.00 2.21 H new ATOM 0 HG21 VAL A 621 -7.158 3.338 8.391 1.00 13.31 H new ATOM 0 HG22 VAL A 621 -5.444 3.314 8.873 1.00 13.31 H new ATOM 0 HG23 VAL A 621 -6.177 1.877 8.122 1.00 13.31 H new ATOM 621 N LYS A 622 -5.407 1.485 13.102 1.00 1.23 N ATOM 622 CA LYS A 622 -5.643 1.120 14.466 1.00 1.11 C ATOM 623 C LYS A 622 -6.452 2.226 15.144 1.00 3.21 C ATOM 624 O LYS A 622 -7.347 1.961 15.925 1.00 14.05 O ATOM 625 CB LYS A 622 -4.279 0.904 15.150 1.00 5.14 C ATOM 626 CG LYS A 622 -3.500 2.143 15.364 1.00 54.54 C ATOM 627 CD LYS A 622 -2.070 1.863 15.577 1.00 72.43 C ATOM 628 CE LYS A 622 -1.425 3.065 16.161 1.00 22.14 C ATOM 629 NZ LYS A 622 -1.787 3.294 17.581 1.00 52.12 N ATOM 0 H LYS A 622 -4.749 2.254 12.977 1.00 1.23 H new ATOM 0 HA LYS A 622 -6.217 0.196 14.538 1.00 1.11 H new ATOM 0 HB2 LYS A 622 -4.442 0.421 16.113 1.00 5.14 H new ATOM 0 HB3 LYS A 622 -3.687 0.217 14.545 1.00 5.14 H new ATOM 0 HG2 LYS A 622 -3.617 2.799 14.501 1.00 54.54 H new ATOM 0 HG3 LYS A 622 -3.898 2.677 16.227 1.00 54.54 H new ATOM 0 HD2 LYS A 622 -1.949 1.009 16.243 1.00 72.43 H new ATOM 0 HD3 LYS A 622 -1.593 1.601 14.633 1.00 72.43 H new ATOM 0 HE2 LYS A 622 -0.343 2.963 16.081 1.00 22.14 H new ATOM 0 HE3 LYS A 622 -1.707 3.940 15.576 1.00 22.14 H new ATOM 0 HZ1 LYS A 622 -1.278 4.128 17.939 1.00 52.12 H new ATOM 0 HZ2 LYS A 622 -2.812 3.455 17.656 1.00 52.12 H new ATOM 0 HZ3 LYS A 622 -1.525 2.460 18.145 1.00 52.12 H new ATOM 643 N SER A 623 -6.134 3.458 14.803 1.00 33.21 N ATOM 644 CA SER A 623 -6.768 4.606 15.375 1.00 10.14 C ATOM 645 C SER A 623 -6.797 5.754 14.372 1.00 32.14 C ATOM 646 O SER A 623 -5.869 5.906 13.555 1.00 71.31 O ATOM 647 CB SER A 623 -6.042 5.005 16.670 1.00 11.33 C ATOM 648 OG SER A 623 -4.641 5.146 16.453 1.00 21.32 O ATOM 0 H SER A 623 -5.418 3.682 14.112 1.00 33.21 H new ATOM 0 HA SER A 623 -7.801 4.364 15.623 1.00 10.14 H new ATOM 0 HB2 SER A 623 -6.451 5.943 17.045 1.00 11.33 H new ATOM 0 HB3 SER A 623 -6.220 4.251 17.437 1.00 11.33 H new ATOM 0 HG SER A 623 -4.204 5.402 17.292 1.00 21.32 H new ATOM 654 N ILE A 624 -7.860 6.514 14.394 1.00 11.23 N ATOM 655 CA ILE A 624 -7.992 7.682 13.569 1.00 63.23 C ATOM 656 C ILE A 624 -7.716 8.906 14.415 1.00 21.14 C ATOM 657 O ILE A 624 -8.122 8.964 15.576 1.00 41.51 O ATOM 658 CB ILE A 624 -9.427 7.797 12.921 1.00 5.23 C ATOM 659 CG1 ILE A 624 -9.681 6.711 11.871 1.00 2.53 C ATOM 660 CG2 ILE A 624 -9.663 9.164 12.304 1.00 11.32 C ATOM 661 CD1 ILE A 624 -9.753 5.299 12.388 1.00 24.42 C ATOM 0 H ILE A 624 -8.667 6.336 14.992 1.00 11.23 H new ATOM 0 HA ILE A 624 -7.275 7.605 12.752 1.00 63.23 H new ATOM 0 HB ILE A 624 -10.133 7.655 13.739 1.00 5.23 H new ATOM 0 HG12 ILE A 624 -10.617 6.938 11.361 1.00 2.53 H new ATOM 0 HG13 ILE A 624 -8.889 6.764 11.124 1.00 2.53 H new ATOM 0 HG21 ILE A 624 -10.662 9.200 11.870 1.00 11.32 H new ATOM 0 HG22 ILE A 624 -9.574 9.931 13.074 1.00 11.32 H new ATOM 0 HG23 ILE A 624 -8.922 9.344 11.525 1.00 11.32 H new ATOM 0 HD11 ILE A 624 -9.936 4.617 11.558 1.00 24.42 H new ATOM 0 HD12 ILE A 624 -8.810 5.040 12.870 1.00 24.42 H new ATOM 0 HD13 ILE A 624 -10.565 5.217 13.111 1.00 24.42 H new ATOM 673 N ILE A 625 -7.022 9.855 13.860 1.00 73.21 N ATOM 674 CA ILE A 625 -6.740 11.084 14.551 1.00 45.12 C ATOM 675 C ILE A 625 -7.785 12.127 14.142 1.00 14.34 C ATOM 676 O ILE A 625 -7.846 12.553 12.979 1.00 33.14 O ATOM 677 CB ILE A 625 -5.286 11.572 14.265 1.00 63.22 C ATOM 678 CG1 ILE A 625 -4.290 10.516 14.795 1.00 51.23 C ATOM 679 CG2 ILE A 625 -5.026 12.935 14.912 1.00 52.20 C ATOM 680 CD1 ILE A 625 -2.839 10.817 14.497 1.00 33.24 C ATOM 0 H ILE A 625 -6.635 9.802 12.918 1.00 73.21 H new ATOM 0 HA ILE A 625 -6.802 10.923 15.627 1.00 45.12 H new ATOM 0 HB ILE A 625 -5.153 11.692 13.190 1.00 63.22 H new ATOM 0 HG12 ILE A 625 -4.415 10.427 15.874 1.00 51.23 H new ATOM 0 HG13 ILE A 625 -4.543 9.548 14.363 1.00 51.23 H new ATOM 0 HG21 ILE A 625 -4.005 13.251 14.697 1.00 52.20 H new ATOM 0 HG22 ILE A 625 -5.725 13.668 14.510 1.00 52.20 H new ATOM 0 HG23 ILE A 625 -5.162 12.858 15.991 1.00 52.20 H new ATOM 0 HD11 ILE A 625 -2.212 10.024 14.905 1.00 33.24 H new ATOM 0 HD12 ILE A 625 -2.694 10.876 13.418 1.00 33.24 H new ATOM 0 HD13 ILE A 625 -2.564 11.768 14.952 1.00 33.24 H new ATOM 692 N ASN A 626 -8.608 12.511 15.100 1.00 55.42 N ATOM 693 CA ASN A 626 -9.726 13.428 14.874 1.00 3.20 C ATOM 694 C ASN A 626 -9.241 14.803 14.434 1.00 14.42 C ATOM 695 O ASN A 626 -8.519 15.498 15.170 1.00 71.10 O ATOM 696 CB ASN A 626 -10.595 13.537 16.140 1.00 31.30 C ATOM 697 CG ASN A 626 -11.783 14.481 15.977 1.00 2.22 C ATOM 698 OD1 ASN A 626 -12.316 14.650 14.890 1.00 25.13 O ATOM 699 ND2 ASN A 626 -12.203 15.089 17.057 1.00 73.52 N ATOM 0 H ASN A 626 -8.525 12.197 16.067 1.00 55.42 H new ATOM 0 HA ASN A 626 -10.334 13.020 14.066 1.00 3.20 H new ATOM 0 HB2 ASN A 626 -10.961 12.546 16.407 1.00 31.30 H new ATOM 0 HB3 ASN A 626 -9.976 13.882 16.968 1.00 31.30 H new ATOM 0 HD21 ASN A 626 -12.998 15.726 17.007 1.00 73.52 H new ATOM 0 HD22 ASN A 626 -11.736 14.926 17.949 1.00 73.52 H new ATOM 706 N GLY A 627 -9.642 15.190 13.244 1.00 22.44 N ATOM 707 CA GLY A 627 -9.227 16.455 12.689 1.00 15.10 C ATOM 708 C GLY A 627 -8.335 16.261 11.494 1.00 14.11 C ATOM 709 O GLY A 627 -8.090 17.198 10.731 1.00 31.45 O ATOM 0 H GLY A 627 -10.257 14.643 12.641 1.00 22.44 H new ATOM 0 HA2 GLY A 627 -10.105 17.033 12.400 1.00 15.10 H new ATOM 0 HA3 GLY A 627 -8.700 17.033 13.449 1.00 15.10 H new ATOM 713 N GLY A 628 -7.854 15.036 11.330 1.00 54.10 N ATOM 714 CA GLY A 628 -6.997 14.713 10.218 1.00 2.21 C ATOM 715 C GLY A 628 -7.721 14.806 8.886 1.00 64.31 C ATOM 716 O GLY A 628 -8.943 14.610 8.812 1.00 41.33 O ATOM 0 H GLY A 628 -8.048 14.256 11.958 1.00 54.10 H new ATOM 0 HA2 GLY A 628 -6.142 15.389 10.212 1.00 2.21 H new ATOM 0 HA3 GLY A 628 -6.604 13.704 10.346 1.00 2.21 H new ATOM 720 N ALA A 629 -6.978 15.082 7.838 1.00 42.00 N ATOM 721 CA ALA A 629 -7.548 15.234 6.510 1.00 15.14 C ATOM 722 C ALA A 629 -8.087 13.907 5.995 1.00 54.43 C ATOM 723 O ALA A 629 -9.104 13.866 5.312 1.00 51.45 O ATOM 724 CB ALA A 629 -6.530 15.836 5.553 1.00 11.10 C ATOM 0 H ALA A 629 -5.967 15.208 7.877 1.00 42.00 H new ATOM 0 HA ALA A 629 -8.389 15.925 6.574 1.00 15.14 H new ATOM 0 HB1 ALA A 629 -6.977 15.941 4.565 1.00 11.10 H new ATOM 0 HB2 ALA A 629 -6.222 16.816 5.918 1.00 11.10 H new ATOM 0 HB3 ALA A 629 -5.660 15.183 5.490 1.00 11.10 H new ATOM 730 N ALA A 630 -7.423 12.817 6.358 1.00 2.23 N ATOM 731 CA ALA A 630 -7.870 11.485 5.959 1.00 63.12 C ATOM 732 C ALA A 630 -9.116 11.119 6.692 1.00 72.30 C ATOM 733 O ALA A 630 -9.930 10.341 6.214 1.00 74.34 O ATOM 734 CB ALA A 630 -6.798 10.454 6.199 1.00 11.11 C ATOM 0 H ALA A 630 -6.576 12.827 6.926 1.00 2.23 H new ATOM 0 HA ALA A 630 -8.081 11.506 4.890 1.00 63.12 H new ATOM 0 HB1 ALA A 630 -7.161 9.473 5.892 1.00 11.11 H new ATOM 0 HB2 ALA A 630 -5.911 10.710 5.620 1.00 11.11 H new ATOM 0 HB3 ALA A 630 -6.545 10.432 7.259 1.00 11.11 H new ATOM 740 N SER A 631 -9.261 11.695 7.832 1.00 75.45 N ATOM 741 CA SER A 631 -10.412 11.466 8.648 1.00 2.13 C ATOM 742 C SER A 631 -11.608 12.198 8.045 1.00 53.33 C ATOM 743 O SER A 631 -12.647 11.594 7.773 1.00 55.15 O ATOM 744 CB SER A 631 -10.145 11.935 10.087 1.00 20.21 C ATOM 745 OG SER A 631 -11.268 11.730 10.925 1.00 14.21 O ATOM 0 H SER A 631 -8.583 12.344 8.232 1.00 75.45 H new ATOM 0 HA SER A 631 -10.633 10.399 8.681 1.00 2.13 H new ATOM 0 HB2 SER A 631 -9.287 11.397 10.491 1.00 20.21 H new ATOM 0 HB3 SER A 631 -9.884 12.993 10.082 1.00 20.21 H new ATOM 0 HG SER A 631 -11.060 12.038 11.832 1.00 14.21 H new ATOM 751 N LYS A 632 -11.433 13.482 7.785 1.00 40.51 N ATOM 752 CA LYS A 632 -12.513 14.303 7.276 1.00 53.11 C ATOM 753 C LYS A 632 -12.844 14.014 5.814 1.00 25.31 C ATOM 754 O LYS A 632 -14.005 13.790 5.476 1.00 71.43 O ATOM 755 CB LYS A 632 -12.193 15.791 7.470 1.00 22.21 C ATOM 756 CG LYS A 632 -12.039 16.196 8.929 1.00 12.34 C ATOM 757 CD LYS A 632 -11.689 17.669 9.098 1.00 24.21 C ATOM 758 CE LYS A 632 -10.336 18.006 8.487 1.00 2.22 C ATOM 759 NZ LYS A 632 -9.989 19.421 8.690 1.00 52.21 N ATOM 0 H LYS A 632 -10.551 13.977 7.919 1.00 40.51 H new ATOM 0 HA LYS A 632 -13.401 14.045 7.854 1.00 53.11 H new ATOM 0 HB2 LYS A 632 -11.273 16.029 6.937 1.00 22.21 H new ATOM 0 HB3 LYS A 632 -12.986 16.387 7.018 1.00 22.21 H new ATOM 0 HG2 LYS A 632 -12.967 15.984 9.460 1.00 12.34 H new ATOM 0 HG3 LYS A 632 -11.262 15.587 9.390 1.00 12.34 H new ATOM 0 HD2 LYS A 632 -12.461 18.281 8.631 1.00 24.21 H new ATOM 0 HD3 LYS A 632 -11.681 17.921 10.159 1.00 24.21 H new ATOM 0 HE2 LYS A 632 -9.567 17.374 8.932 1.00 2.22 H new ATOM 0 HE3 LYS A 632 -10.352 17.784 7.420 1.00 2.22 H new ATOM 0 HZ1 LYS A 632 -9.151 19.658 8.122 1.00 52.21 H new ATOM 0 HZ2 LYS A 632 -10.787 20.020 8.396 1.00 52.21 H new ATOM 0 HZ3 LYS A 632 -9.784 19.587 9.696 1.00 52.21 H new ATOM 773 N ASP A 633 -11.846 14.022 4.947 1.00 52.43 N ATOM 774 CA ASP A 633 -12.111 13.817 3.526 1.00 0.24 C ATOM 775 C ASP A 633 -12.290 12.332 3.225 1.00 34.44 C ATOM 776 O ASP A 633 -13.273 11.916 2.617 1.00 21.22 O ATOM 777 CB ASP A 633 -10.993 14.400 2.649 1.00 11.22 C ATOM 778 CG ASP A 633 -11.417 14.563 1.190 1.00 50.32 C ATOM 779 OD1 ASP A 633 -11.634 13.565 0.491 1.00 1.33 O ATOM 780 OD2 ASP A 633 -11.578 15.721 0.739 1.00 23.23 O ATOM 0 H ASP A 633 -10.866 14.164 5.190 1.00 52.43 H new ATOM 0 HA ASP A 633 -13.034 14.345 3.287 1.00 0.24 H new ATOM 0 HB2 ASP A 633 -10.692 15.369 3.047 1.00 11.22 H new ATOM 0 HB3 ASP A 633 -10.120 13.750 2.700 1.00 11.22 H new ATOM 785 N GLY A 634 -11.328 11.542 3.682 1.00 41.24 N ATOM 786 CA GLY A 634 -11.305 10.119 3.383 1.00 23.32 C ATOM 787 C GLY A 634 -12.372 9.315 4.101 1.00 30.24 C ATOM 788 O GLY A 634 -12.996 8.447 3.486 1.00 14.54 O ATOM 0 H GLY A 634 -10.553 11.864 4.262 1.00 41.24 H new ATOM 0 HA2 GLY A 634 -11.425 9.983 2.308 1.00 23.32 H new ATOM 0 HA3 GLY A 634 -10.326 9.720 3.647 1.00 23.32 H new ATOM 792 N ARG A 635 -12.581 9.609 5.400 1.00 21.53 N ATOM 793 CA ARG A 635 -13.587 8.908 6.234 1.00 30.31 C ATOM 794 C ARG A 635 -13.186 7.452 6.500 1.00 41.14 C ATOM 795 O ARG A 635 -14.042 6.586 6.648 1.00 2.42 O ATOM 796 CB ARG A 635 -14.985 8.978 5.577 1.00 54.21 C ATOM 797 CG ARG A 635 -15.621 10.372 5.524 1.00 74.53 C ATOM 798 CD ARG A 635 -16.226 10.801 6.870 1.00 70.35 C ATOM 799 NE ARG A 635 -15.274 10.844 7.979 1.00 62.23 N ATOM 800 CZ ARG A 635 -15.608 10.755 9.273 1.00 11.04 C ATOM 801 NH1 ARG A 635 -16.889 10.627 9.637 1.00 30.40 N ATOM 802 NH2 ARG A 635 -14.663 10.792 10.195 1.00 12.11 N ATOM 0 H ARG A 635 -12.064 10.332 5.900 1.00 21.53 H new ATOM 0 HA ARG A 635 -13.629 9.418 7.196 1.00 30.31 H new ATOM 0 HB2 ARG A 635 -14.909 8.594 4.560 1.00 54.21 H new ATOM 0 HB3 ARG A 635 -15.656 8.312 6.120 1.00 54.21 H new ATOM 0 HG2 ARG A 635 -14.868 11.099 5.221 1.00 74.53 H new ATOM 0 HG3 ARG A 635 -16.399 10.383 4.761 1.00 74.53 H new ATOM 0 HD2 ARG A 635 -16.674 11.788 6.754 1.00 70.35 H new ATOM 0 HD3 ARG A 635 -17.032 10.114 7.127 1.00 70.35 H new ATOM 0 HE ARG A 635 -14.285 10.949 7.751 1.00 62.23 H new ATOM 0 HH11 ARG A 635 -17.620 10.596 8.927 1.00 30.40 H new ATOM 0 HH12 ARG A 635 -17.134 10.560 10.625 1.00 30.40 H new ATOM 0 HH21 ARG A 635 -13.686 10.888 9.920 1.00 12.11 H new ATOM 0 HH22 ARG A 635 -14.911 10.725 11.182 1.00 12.11 H new ATOM 816 N LEU A 636 -11.877 7.197 6.613 1.00 3.43 N ATOM 817 CA LEU A 636 -11.383 5.831 6.892 1.00 0.41 C ATOM 818 C LEU A 636 -11.793 5.342 8.273 1.00 71.12 C ATOM 819 O LEU A 636 -12.290 6.119 9.105 1.00 34.35 O ATOM 820 CB LEU A 636 -9.856 5.658 6.687 1.00 13.24 C ATOM 821 CG LEU A 636 -9.333 5.713 5.244 1.00 72.15 C ATOM 822 CD1 LEU A 636 -9.498 7.082 4.644 1.00 61.13 C ATOM 823 CD2 LEU A 636 -7.891 5.250 5.166 1.00 60.24 C ATOM 0 H LEU A 636 -11.146 7.902 6.518 1.00 3.43 H new ATOM 0 HA LEU A 636 -11.869 5.205 6.144 1.00 0.41 H new ATOM 0 HB2 LEU A 636 -9.348 6.433 7.261 1.00 13.24 H new ATOM 0 HB3 LEU A 636 -9.563 4.700 7.117 1.00 13.24 H new ATOM 0 HG LEU A 636 -9.938 5.025 4.653 1.00 72.15 H new ATOM 0 HD11 LEU A 636 -9.116 7.080 3.623 1.00 61.13 H new ATOM 0 HD12 LEU A 636 -10.554 7.351 4.636 1.00 61.13 H new ATOM 0 HD13 LEU A 636 -8.943 7.809 5.237 1.00 61.13 H new ATOM 0 HD21 LEU A 636 -7.548 5.300 4.132 1.00 60.24 H new ATOM 0 HD22 LEU A 636 -7.268 5.894 5.786 1.00 60.24 H new ATOM 0 HD23 LEU A 636 -7.819 4.223 5.523 1.00 60.24 H new ATOM 835 N ARG A 637 -11.559 4.083 8.527 1.00 22.12 N ATOM 836 CA ARG A 637 -12.029 3.450 9.761 1.00 1.35 C ATOM 837 C ARG A 637 -10.981 2.579 10.427 1.00 2.30 C ATOM 838 O ARG A 637 -9.898 2.423 9.920 1.00 62.24 O ATOM 839 CB ARG A 637 -13.386 2.685 9.559 1.00 10.31 C ATOM 840 CG ARG A 637 -13.465 1.562 8.481 1.00 51.21 C ATOM 841 CD ARG A 637 -13.152 2.074 7.086 1.00 64.43 C ATOM 842 NE ARG A 637 -13.674 1.242 5.992 1.00 35.41 N ATOM 843 CZ ARG A 637 -13.264 1.357 4.723 1.00 15.44 C ATOM 844 NH1 ARG A 637 -12.096 1.922 4.446 1.00 12.22 N ATOM 845 NH2 ARG A 637 -13.984 0.834 3.744 1.00 72.12 N ATOM 0 H ARG A 637 -11.045 3.461 7.903 1.00 22.12 H new ATOM 0 HA ARG A 637 -12.222 4.269 10.454 1.00 1.35 H new ATOM 0 HB2 ARG A 637 -13.660 2.242 10.517 1.00 10.31 H new ATOM 0 HB3 ARG A 637 -14.149 3.426 9.320 1.00 10.31 H new ATOM 0 HG2 ARG A 637 -12.766 0.766 8.738 1.00 51.21 H new ATOM 0 HG3 ARG A 637 -14.463 1.125 8.489 1.00 51.21 H new ATOM 0 HD2 ARG A 637 -13.558 3.080 6.984 1.00 64.43 H new ATOM 0 HD3 ARG A 637 -12.070 2.155 6.978 1.00 64.43 H new ATOM 0 HE ARG A 637 -14.384 0.543 6.211 1.00 35.41 H new ATOM 0 HH11 ARG A 637 -11.506 2.271 5.202 1.00 12.22 H new ATOM 0 HH12 ARG A 637 -11.788 2.007 3.477 1.00 12.22 H new ATOM 0 HH21 ARG A 637 -14.852 0.343 3.956 1.00 72.12 H new ATOM 0 HH22 ARG A 637 -13.671 0.922 2.777 1.00 72.12 H new ATOM 859 N VAL A 638 -11.306 2.051 11.589 1.00 74.11 N ATOM 860 CA VAL A 638 -10.396 1.181 12.322 1.00 21.30 C ATOM 861 C VAL A 638 -10.449 -0.213 11.702 1.00 22.02 C ATOM 862 O VAL A 638 -11.475 -0.593 11.136 1.00 61.04 O ATOM 863 CB VAL A 638 -10.772 1.115 13.841 1.00 0.05 C ATOM 864 CG1 VAL A 638 -9.839 0.191 14.622 1.00 74.44 C ATOM 865 CG2 VAL A 638 -10.761 2.503 14.458 1.00 74.50 C ATOM 0 H VAL A 638 -12.201 2.208 12.053 1.00 74.11 H new ATOM 0 HA VAL A 638 -9.385 1.583 12.254 1.00 21.30 H new ATOM 0 HB VAL A 638 -11.779 0.703 13.903 1.00 0.05 H new ATOM 0 HG11 VAL A 638 -10.136 0.175 15.671 1.00 74.44 H new ATOM 0 HG12 VAL A 638 -9.899 -0.817 14.213 1.00 74.44 H new ATOM 0 HG13 VAL A 638 -8.815 0.555 14.541 1.00 74.44 H new ATOM 0 HG21 VAL A 638 -11.025 2.434 15.513 1.00 74.50 H new ATOM 0 HG22 VAL A 638 -9.766 2.937 14.360 1.00 74.50 H new ATOM 0 HG23 VAL A 638 -11.484 3.136 13.944 1.00 74.50 H new ATOM 875 N ASN A 639 -9.318 -0.943 11.767 1.00 53.33 N ATOM 876 CA ASN A 639 -9.187 -2.314 11.208 1.00 75.01 C ATOM 877 C ASN A 639 -9.166 -2.232 9.681 1.00 12.00 C ATOM 878 O ASN A 639 -9.218 -3.229 8.969 1.00 22.33 O ATOM 879 CB ASN A 639 -10.325 -3.250 11.749 1.00 61.13 C ATOM 880 CG ASN A 639 -10.236 -4.708 11.292 1.00 33.21 C ATOM 881 OD1 ASN A 639 -10.812 -5.100 10.273 1.00 41.23 O ATOM 882 ND2 ASN A 639 -9.525 -5.512 12.044 1.00 41.34 N ATOM 0 H ASN A 639 -8.464 -0.602 12.209 1.00 53.33 H new ATOM 0 HA ASN A 639 -8.248 -2.760 11.534 1.00 75.01 H new ATOM 0 HB2 ASN A 639 -10.308 -3.225 12.839 1.00 61.13 H new ATOM 0 HB3 ASN A 639 -11.287 -2.845 11.436 1.00 61.13 H new ATOM 0 HD21 ASN A 639 -9.434 -6.497 11.794 1.00 41.34 H new ATOM 0 HD22 ASN A 639 -9.063 -5.153 12.879 1.00 41.34 H new ATOM 889 N ASP A 640 -9.028 -1.013 9.203 1.00 72.34 N ATOM 890 CA ASP A 640 -9.022 -0.713 7.796 1.00 61.03 C ATOM 891 C ASP A 640 -7.738 -1.275 7.204 1.00 45.51 C ATOM 892 O ASP A 640 -6.639 -0.937 7.660 1.00 61.03 O ATOM 893 CB ASP A 640 -9.053 0.798 7.617 1.00 52.40 C ATOM 894 CG ASP A 640 -9.615 1.238 6.303 1.00 4.55 C ATOM 895 OD1 ASP A 640 -9.586 0.463 5.352 1.00 44.12 O ATOM 896 OD2 ASP A 640 -10.195 2.361 6.246 1.00 2.23 O ATOM 0 H ASP A 640 -8.915 -0.191 9.797 1.00 72.34 H new ATOM 0 HA ASP A 640 -9.887 -1.151 7.298 1.00 61.03 H new ATOM 0 HB2 ASP A 640 -9.644 1.238 8.420 1.00 52.40 H new ATOM 0 HB3 ASP A 640 -8.040 1.187 7.717 1.00 52.40 H new ATOM 901 N GLN A 641 -7.875 -2.144 6.245 1.00 4.33 N ATOM 902 CA GLN A 641 -6.754 -2.823 5.632 1.00 30.41 C ATOM 903 C GLN A 641 -6.088 -1.951 4.574 1.00 73.31 C ATOM 904 O GLN A 641 -6.660 -1.699 3.529 1.00 43.11 O ATOM 905 CB GLN A 641 -7.246 -4.144 5.009 1.00 53.23 C ATOM 906 CG GLN A 641 -6.233 -4.895 4.148 1.00 74.13 C ATOM 907 CD GLN A 641 -5.059 -5.418 4.905 1.00 4.53 C ATOM 908 OE1 GLN A 641 -5.086 -6.530 5.397 1.00 30.05 O ATOM 909 NE2 GLN A 641 -4.006 -4.647 4.966 1.00 52.13 N ATOM 0 H GLN A 641 -8.780 -2.410 5.856 1.00 4.33 H new ATOM 0 HA GLN A 641 -6.008 -3.032 6.398 1.00 30.41 H new ATOM 0 HB2 GLN A 641 -7.569 -4.804 5.814 1.00 53.23 H new ATOM 0 HB3 GLN A 641 -8.124 -3.931 4.399 1.00 53.23 H new ATOM 0 HG2 GLN A 641 -6.736 -5.728 3.658 1.00 74.13 H new ATOM 0 HG3 GLN A 641 -5.877 -4.230 3.361 1.00 74.13 H new ATOM 0 HE21 GLN A 641 -4.027 -3.721 4.539 1.00 52.13 H new ATOM 0 HE22 GLN A 641 -3.163 -4.971 5.440 1.00 52.13 H new ATOM 918 N LEU A 642 -4.882 -1.504 4.850 1.00 52.32 N ATOM 919 CA LEU A 642 -4.138 -0.718 3.885 1.00 32.14 C ATOM 920 C LEU A 642 -3.568 -1.610 2.806 1.00 31.10 C ATOM 921 O LEU A 642 -2.845 -2.571 3.093 1.00 23.24 O ATOM 922 CB LEU A 642 -3.041 0.160 4.532 1.00 51.13 C ATOM 923 CG LEU A 642 -3.473 1.401 5.310 1.00 13.11 C ATOM 924 CD1 LEU A 642 -4.295 1.035 6.517 1.00 62.01 C ATOM 925 CD2 LEU A 642 -2.253 2.203 5.722 1.00 33.41 C ATOM 0 H LEU A 642 -4.396 -1.670 5.731 1.00 52.32 H new ATOM 0 HA LEU A 642 -4.844 -0.023 3.430 1.00 32.14 H new ATOM 0 HB2 LEU A 642 -2.465 -0.472 5.208 1.00 51.13 H new ATOM 0 HB3 LEU A 642 -2.364 0.482 3.741 1.00 51.13 H new ATOM 0 HG LEU A 642 -4.099 2.011 4.658 1.00 13.11 H new ATOM 0 HD11 LEU A 642 -4.586 1.942 7.048 1.00 62.01 H new ATOM 0 HD12 LEU A 642 -5.189 0.498 6.199 1.00 62.01 H new ATOM 0 HD13 LEU A 642 -3.706 0.400 7.179 1.00 62.01 H new ATOM 0 HD21 LEU A 642 -2.569 3.087 6.276 1.00 33.41 H new ATOM 0 HD22 LEU A 642 -1.610 1.589 6.353 1.00 33.41 H new ATOM 0 HD23 LEU A 642 -1.702 2.510 4.833 1.00 33.41 H new ATOM 937 N ILE A 643 -3.926 -1.310 1.582 1.00 2.13 N ATOM 938 CA ILE A 643 -3.527 -2.097 0.437 1.00 60.42 C ATOM 939 C ILE A 643 -2.491 -1.355 -0.361 1.00 54.44 C ATOM 940 O ILE A 643 -1.448 -1.881 -0.661 1.00 75.10 O ATOM 941 CB ILE A 643 -4.733 -2.349 -0.482 1.00 40.13 C ATOM 942 CG1 ILE A 643 -5.871 -2.986 0.301 1.00 55.21 C ATOM 943 CG2 ILE A 643 -4.337 -3.219 -1.679 1.00 74.21 C ATOM 944 CD1 ILE A 643 -5.568 -4.363 0.826 1.00 43.21 C ATOM 0 H ILE A 643 -4.508 -0.506 1.348 1.00 2.13 H new ATOM 0 HA ILE A 643 -3.125 -3.042 0.801 1.00 60.42 H new ATOM 0 HB ILE A 643 -5.077 -1.390 -0.868 1.00 40.13 H new ATOM 0 HG12 ILE A 643 -6.126 -2.338 1.140 1.00 55.21 H new ATOM 0 HG13 ILE A 643 -6.751 -3.040 -0.339 1.00 55.21 H new ATOM 0 HG21 ILE A 643 -5.208 -3.383 -2.314 1.00 74.21 H new ATOM 0 HG22 ILE A 643 -3.559 -2.716 -2.253 1.00 74.21 H new ATOM 0 HG23 ILE A 643 -3.962 -4.179 -1.323 1.00 74.21 H new ATOM 0 HD11 ILE A 643 -6.432 -4.743 1.371 1.00 43.21 H new ATOM 0 HD12 ILE A 643 -5.343 -5.029 -0.007 1.00 43.21 H new ATOM 0 HD13 ILE A 643 -4.709 -4.316 1.495 1.00 43.21 H new ATOM 956 N ALA A 644 -2.793 -0.137 -0.712 1.00 21.44 N ATOM 957 CA ALA A 644 -1.887 0.654 -1.503 1.00 5.21 C ATOM 958 C ALA A 644 -1.859 2.075 -1.002 1.00 10.30 C ATOM 959 O ALA A 644 -2.870 2.589 -0.508 1.00 15.03 O ATOM 960 CB ALA A 644 -2.282 0.603 -2.972 1.00 31.21 C ATOM 0 H ALA A 644 -3.663 0.333 -0.463 1.00 21.44 H new ATOM 0 HA ALA A 644 -0.884 0.239 -1.407 1.00 5.21 H new ATOM 0 HB1 ALA A 644 -1.587 1.206 -3.557 1.00 31.21 H new ATOM 0 HB2 ALA A 644 -2.250 -0.429 -3.322 1.00 31.21 H new ATOM 0 HB3 ALA A 644 -3.292 0.995 -3.091 1.00 31.21 H new ATOM 966 N VAL A 645 -0.726 2.712 -1.130 1.00 40.14 N ATOM 967 CA VAL A 645 -0.558 4.048 -0.662 1.00 40.12 C ATOM 968 C VAL A 645 0.143 4.922 -1.707 1.00 1.41 C ATOM 969 O VAL A 645 1.194 4.573 -2.238 1.00 40.55 O ATOM 970 CB VAL A 645 0.198 4.103 0.694 1.00 13.14 C ATOM 971 CG1 VAL A 645 1.624 3.579 0.584 1.00 60.22 C ATOM 972 CG2 VAL A 645 0.155 5.505 1.267 1.00 32.01 C ATOM 0 H VAL A 645 0.105 2.311 -1.564 1.00 40.14 H new ATOM 0 HA VAL A 645 -1.558 4.449 -0.496 1.00 40.12 H new ATOM 0 HB VAL A 645 -0.316 3.436 1.386 1.00 13.14 H new ATOM 0 HG11 VAL A 645 2.110 3.639 1.558 1.00 60.22 H new ATOM 0 HG12 VAL A 645 1.606 2.541 0.251 1.00 60.22 H new ATOM 0 HG13 VAL A 645 2.179 4.182 -0.135 1.00 60.22 H new ATOM 0 HG21 VAL A 645 0.689 5.526 2.217 1.00 32.01 H new ATOM 0 HG22 VAL A 645 0.627 6.198 0.570 1.00 32.01 H new ATOM 0 HG23 VAL A 645 -0.882 5.801 1.427 1.00 32.01 H new ATOM 982 N ASN A 646 -0.495 6.030 -2.006 1.00 32.10 N ATOM 983 CA ASN A 646 -0.037 7.066 -2.937 1.00 30.11 C ATOM 984 C ASN A 646 0.290 6.445 -4.308 1.00 71.31 C ATOM 985 O ASN A 646 1.176 6.890 -5.021 1.00 33.33 O ATOM 986 CB ASN A 646 1.170 7.809 -2.338 1.00 0.10 C ATOM 987 CG ASN A 646 1.331 9.224 -2.891 1.00 52.45 C ATOM 988 OD1 ASN A 646 0.980 9.524 -4.028 1.00 24.44 O ATOM 989 ND2 ASN A 646 1.837 10.106 -2.071 1.00 42.43 N ATOM 0 H ASN A 646 -1.398 6.256 -1.590 1.00 32.10 H new ATOM 0 HA ASN A 646 -0.832 7.795 -3.093 1.00 30.11 H new ATOM 0 HB2 ASN A 646 1.059 7.858 -1.255 1.00 0.10 H new ATOM 0 HB3 ASN A 646 2.077 7.240 -2.540 1.00 0.10 H new ATOM 0 HD21 ASN A 646 1.950 11.075 -2.370 1.00 42.43 H new ATOM 0 HD22 ASN A 646 2.120 9.826 -1.132 1.00 42.43 H new ATOM 996 N GLY A 647 -0.469 5.427 -4.670 1.00 22.42 N ATOM 997 CA GLY A 647 -0.265 4.772 -5.943 1.00 65.14 C ATOM 998 C GLY A 647 0.646 3.550 -5.867 1.00 72.22 C ATOM 999 O GLY A 647 0.657 2.726 -6.784 1.00 42.42 O ATOM 0 H GLY A 647 -1.225 5.041 -4.105 1.00 22.42 H new ATOM 0 HA2 GLY A 647 -1.232 4.468 -6.344 1.00 65.14 H new ATOM 0 HA3 GLY A 647 0.161 5.488 -6.646 1.00 65.14 H new ATOM 1003 N GLU A 648 1.413 3.423 -4.804 1.00 12.11 N ATOM 1004 CA GLU A 648 2.290 2.291 -4.646 1.00 3.11 C ATOM 1005 C GLU A 648 1.593 1.215 -3.817 1.00 72.44 C ATOM 1006 O GLU A 648 0.847 1.524 -2.905 1.00 61.12 O ATOM 1007 CB GLU A 648 3.615 2.719 -4.013 1.00 12.14 C ATOM 1008 CG GLU A 648 4.600 1.585 -3.831 1.00 2.24 C ATOM 1009 CD GLU A 648 4.948 0.892 -5.128 1.00 31.03 C ATOM 1010 OE1 GLU A 648 4.178 0.014 -5.571 1.00 61.13 O ATOM 1011 OE2 GLU A 648 5.999 1.198 -5.713 1.00 34.55 O ATOM 0 H GLU A 648 1.444 4.094 -4.037 1.00 12.11 H new ATOM 0 HA GLU A 648 2.520 1.874 -5.626 1.00 3.11 H new ATOM 0 HB2 GLU A 648 4.072 3.488 -4.635 1.00 12.14 H new ATOM 0 HB3 GLU A 648 3.413 3.172 -3.042 1.00 12.14 H new ATOM 0 HG2 GLU A 648 5.512 1.972 -3.376 1.00 2.24 H new ATOM 0 HG3 GLU A 648 4.182 0.856 -3.137 1.00 2.24 H new ATOM 1018 N SER A 649 1.845 -0.022 -4.130 1.00 54.33 N ATOM 1019 CA SER A 649 1.158 -1.117 -3.503 1.00 5.31 C ATOM 1020 C SER A 649 1.911 -1.626 -2.255 1.00 21.04 C ATOM 1021 O SER A 649 3.159 -1.678 -2.220 1.00 21.31 O ATOM 1022 CB SER A 649 0.968 -2.253 -4.526 1.00 73.01 C ATOM 1023 OG SER A 649 0.153 -3.293 -4.011 1.00 21.01 O ATOM 0 H SER A 649 2.534 -0.303 -4.828 1.00 54.33 H new ATOM 0 HA SER A 649 0.184 -0.764 -3.165 1.00 5.31 H new ATOM 0 HB2 SER A 649 0.517 -1.853 -5.434 1.00 73.01 H new ATOM 0 HB3 SER A 649 1.941 -2.658 -4.805 1.00 73.01 H new ATOM 0 HG SER A 649 0.053 -3.995 -4.687 1.00 21.01 H new ATOM 1029 N LEU A 650 1.154 -1.974 -1.245 1.00 34.33 N ATOM 1030 CA LEU A 650 1.647 -2.549 -0.015 1.00 25.14 C ATOM 1031 C LEU A 650 1.049 -3.949 0.068 1.00 11.32 C ATOM 1032 O LEU A 650 0.528 -4.443 -0.932 1.00 3.31 O ATOM 1033 CB LEU A 650 1.164 -1.722 1.191 1.00 10.44 C ATOM 1034 CG LEU A 650 1.522 -0.232 1.202 1.00 3.20 C ATOM 1035 CD1 LEU A 650 0.967 0.433 2.453 1.00 21.13 C ATOM 1036 CD2 LEU A 650 3.026 -0.027 1.112 1.00 35.31 C ATOM 0 H LEU A 650 0.140 -1.861 -1.255 1.00 34.33 H new ATOM 0 HA LEU A 650 2.737 -2.566 -0.000 1.00 25.14 H new ATOM 0 HB2 LEU A 650 0.079 -1.810 1.249 1.00 10.44 H new ATOM 0 HB3 LEU A 650 1.570 -2.174 2.096 1.00 10.44 H new ATOM 0 HG LEU A 650 1.069 0.232 0.326 1.00 3.20 H new ATOM 0 HD11 LEU A 650 1.228 1.491 2.449 1.00 21.13 H new ATOM 0 HD12 LEU A 650 -0.118 0.327 2.471 1.00 21.13 H new ATOM 0 HD13 LEU A 650 1.392 -0.042 3.337 1.00 21.13 H new ATOM 0 HD21 LEU A 650 3.249 1.040 1.122 1.00 35.31 H new ATOM 0 HD22 LEU A 650 3.510 -0.507 1.963 1.00 35.31 H new ATOM 0 HD23 LEU A 650 3.398 -0.467 0.187 1.00 35.31 H new ATOM 1048 N LEU A 651 1.144 -4.597 1.238 1.00 14.44 N ATOM 1049 CA LEU A 651 0.544 -5.938 1.488 1.00 11.21 C ATOM 1050 C LEU A 651 1.297 -7.063 0.748 1.00 41.51 C ATOM 1051 O LEU A 651 1.608 -8.099 1.341 1.00 1.30 O ATOM 1052 CB LEU A 651 -1.000 -5.920 1.211 1.00 32.41 C ATOM 1053 CG LEU A 651 -1.833 -7.199 1.486 1.00 34.33 C ATOM 1054 CD1 LEU A 651 -3.297 -6.840 1.473 1.00 73.11 C ATOM 1055 CD2 LEU A 651 -1.599 -8.272 0.424 1.00 51.11 C ATOM 0 H LEU A 651 1.637 -4.215 2.045 1.00 14.44 H new ATOM 0 HA LEU A 651 0.664 -6.172 2.546 1.00 11.21 H new ATOM 0 HB2 LEU A 651 -1.431 -5.114 1.805 1.00 32.41 H new ATOM 0 HB3 LEU A 651 -1.142 -5.655 0.163 1.00 32.41 H new ATOM 0 HG LEU A 651 -1.525 -7.595 2.454 1.00 34.33 H new ATOM 0 HD11 LEU A 651 -3.892 -7.733 1.665 1.00 73.11 H new ATOM 0 HD12 LEU A 651 -3.496 -6.097 2.246 1.00 73.11 H new ATOM 0 HD13 LEU A 651 -3.562 -6.430 0.499 1.00 73.11 H new ATOM 0 HD21 LEU A 651 -2.202 -9.150 0.655 1.00 51.11 H new ATOM 0 HD22 LEU A 651 -1.883 -7.884 -0.554 1.00 51.11 H new ATOM 0 HD23 LEU A 651 -0.545 -8.548 0.412 1.00 51.11 H new ATOM 1067 N GLY A 652 1.601 -6.849 -0.531 1.00 4.52 N ATOM 1068 CA GLY A 652 2.387 -7.807 -1.299 1.00 21.10 C ATOM 1069 C GLY A 652 3.835 -7.811 -0.843 1.00 45.53 C ATOM 1070 O GLY A 652 4.640 -8.615 -1.287 1.00 52.35 O ATOM 0 H GLY A 652 1.315 -6.022 -1.055 1.00 4.52 H new ATOM 0 HA2 GLY A 652 1.963 -8.805 -1.185 1.00 21.10 H new ATOM 0 HA3 GLY A 652 2.336 -7.558 -2.359 1.00 21.10 H new ATOM 1074 N LYS A 653 4.141 -6.879 0.019 1.00 73.44 N ATOM 1075 CA LYS A 653 5.414 -6.748 0.658 1.00 45.35 C ATOM 1076 C LYS A 653 5.170 -6.799 2.150 1.00 32.43 C ATOM 1077 O LYS A 653 4.079 -6.425 2.604 1.00 52.20 O ATOM 1078 CB LYS A 653 6.112 -5.436 0.241 1.00 63.10 C ATOM 1079 CG LYS A 653 5.272 -4.178 0.435 1.00 65.12 C ATOM 1080 CD LYS A 653 6.035 -2.896 0.059 1.00 13.22 C ATOM 1081 CE LYS A 653 6.558 -2.897 -1.390 1.00 25.34 C ATOM 1082 NZ LYS A 653 5.485 -3.069 -2.399 1.00 62.13 N ATOM 0 H LYS A 653 3.476 -6.160 0.305 1.00 73.44 H new ATOM 0 HA LYS A 653 6.082 -7.556 0.358 1.00 45.35 H new ATOM 0 HB2 LYS A 653 7.034 -5.333 0.814 1.00 63.10 H new ATOM 0 HB3 LYS A 653 6.395 -5.509 -0.809 1.00 63.10 H new ATOM 0 HG2 LYS A 653 4.369 -4.251 -0.172 1.00 65.12 H new ATOM 0 HG3 LYS A 653 4.953 -4.115 1.475 1.00 65.12 H new ATOM 0 HD2 LYS A 653 5.379 -2.037 0.200 1.00 13.22 H new ATOM 0 HD3 LYS A 653 6.876 -2.770 0.741 1.00 13.22 H new ATOM 0 HE2 LYS A 653 7.081 -1.960 -1.581 1.00 25.34 H new ATOM 0 HE3 LYS A 653 7.288 -3.698 -1.505 1.00 25.34 H new ATOM 0 HZ1 LYS A 653 5.893 -3.010 -3.354 1.00 62.13 H new ATOM 0 HZ2 LYS A 653 5.034 -3.998 -2.272 1.00 62.13 H new ATOM 0 HZ3 LYS A 653 4.774 -2.320 -2.280 1.00 62.13 H new ATOM 1096 N ALA A 654 6.147 -7.253 2.900 1.00 30.22 N ATOM 1097 CA ALA A 654 6.001 -7.447 4.345 1.00 3.12 C ATOM 1098 C ALA A 654 5.753 -6.131 5.089 1.00 13.22 C ATOM 1099 O ALA A 654 5.971 -5.057 4.542 1.00 45.44 O ATOM 1100 CB ALA A 654 7.226 -8.144 4.894 1.00 32.10 C ATOM 0 H ALA A 654 7.068 -7.501 2.538 1.00 30.22 H new ATOM 0 HA ALA A 654 5.122 -8.071 4.507 1.00 3.12 H new ATOM 0 HB1 ALA A 654 7.113 -8.286 5.969 1.00 32.10 H new ATOM 0 HB2 ALA A 654 7.340 -9.114 4.410 1.00 32.10 H new ATOM 0 HB3 ALA A 654 8.109 -7.535 4.700 1.00 32.10 H new ATOM 1106 N ASN A 655 5.324 -6.240 6.354 1.00 0.11 N ATOM 1107 CA ASN A 655 5.003 -5.069 7.228 1.00 12.32 C ATOM 1108 C ASN A 655 6.101 -4.028 7.231 1.00 1.31 C ATOM 1109 O ASN A 655 5.842 -2.835 7.043 1.00 53.43 O ATOM 1110 CB ASN A 655 4.787 -5.530 8.680 1.00 30.33 C ATOM 1111 CG ASN A 655 3.408 -6.080 9.008 1.00 72.11 C ATOM 1112 OD1 ASN A 655 2.999 -6.042 10.156 1.00 74.14 O ATOM 1113 ND2 ASN A 655 2.671 -6.545 8.037 1.00 5.23 N ATOM 0 H ASN A 655 5.185 -7.139 6.815 1.00 0.11 H new ATOM 0 HA ASN A 655 4.097 -4.622 6.819 1.00 12.32 H new ATOM 0 HB2 ASN A 655 5.526 -6.297 8.910 1.00 30.33 H new ATOM 0 HB3 ASN A 655 4.986 -4.687 9.341 1.00 30.33 H new ATOM 0 HD21 ASN A 655 1.730 -6.887 8.230 1.00 5.23 H new ATOM 0 HD22 ASN A 655 3.036 -6.566 7.085 1.00 5.23 H new ATOM 1120 N GLN A 656 7.317 -4.494 7.406 1.00 52.30 N ATOM 1121 CA GLN A 656 8.501 -3.639 7.499 1.00 54.35 C ATOM 1122 C GLN A 656 8.655 -2.853 6.202 1.00 41.41 C ATOM 1123 O GLN A 656 8.832 -1.626 6.198 1.00 51.45 O ATOM 1124 CB GLN A 656 9.727 -4.528 7.648 1.00 72.04 C ATOM 1125 CG GLN A 656 9.608 -5.679 8.657 1.00 23.20 C ATOM 1126 CD GLN A 656 9.549 -5.314 10.137 1.00 63.44 C ATOM 1127 OE1 GLN A 656 10.029 -6.082 10.973 1.00 63.30 O ATOM 1128 NE2 GLN A 656 8.950 -4.224 10.485 1.00 60.43 N ATOM 0 H GLN A 656 7.525 -5.489 7.490 1.00 52.30 H new ATOM 0 HA GLN A 656 8.400 -2.961 8.347 1.00 54.35 H new ATOM 0 HB2 GLN A 656 9.965 -4.951 6.672 1.00 72.04 H new ATOM 0 HB3 GLN A 656 10.571 -3.903 7.939 1.00 72.04 H new ATOM 0 HG2 GLN A 656 8.710 -6.247 8.415 1.00 23.20 H new ATOM 0 HG3 GLN A 656 10.457 -6.346 8.508 1.00 23.20 H new ATOM 0 HE21 GLN A 656 8.562 -3.606 9.773 1.00 60.43 H new ATOM 0 HE22 GLN A 656 8.865 -3.981 11.472 1.00 60.43 H new ATOM 1137 N GLU A 657 8.542 -3.586 5.117 1.00 21.41 N ATOM 1138 CA GLU A 657 8.696 -3.079 3.771 1.00 44.33 C ATOM 1139 C GLU A 657 7.581 -2.115 3.452 1.00 63.04 C ATOM 1140 O GLU A 657 7.793 -1.067 2.823 1.00 21.12 O ATOM 1141 CB GLU A 657 8.646 -4.254 2.803 1.00 52.15 C ATOM 1142 CG GLU A 657 9.685 -5.316 3.084 1.00 10.34 C ATOM 1143 CD GLU A 657 11.087 -4.774 3.030 1.00 22.12 C ATOM 1144 OE1 GLU A 657 11.647 -4.684 1.927 1.00 5.52 O ATOM 1145 OE2 GLU A 657 11.646 -4.429 4.090 1.00 53.55 O ATOM 0 H GLU A 657 8.334 -4.584 5.148 1.00 21.41 H new ATOM 0 HA GLU A 657 9.648 -2.556 3.681 1.00 44.33 H new ATOM 0 HB2 GLU A 657 7.655 -4.707 2.846 1.00 52.15 H new ATOM 0 HB3 GLU A 657 8.784 -3.883 1.787 1.00 52.15 H new ATOM 0 HG2 GLU A 657 9.503 -5.748 4.068 1.00 10.34 H new ATOM 0 HG3 GLU A 657 9.582 -6.123 2.358 1.00 10.34 H new ATOM 1152 N ALA A 658 6.395 -2.475 3.887 1.00 13.35 N ATOM 1153 CA ALA A 658 5.228 -1.683 3.681 1.00 1.52 C ATOM 1154 C ALA A 658 5.358 -0.346 4.360 1.00 22.12 C ATOM 1155 O ALA A 658 5.178 0.662 3.723 1.00 54.31 O ATOM 1156 CB ALA A 658 3.993 -2.407 4.152 1.00 14.45 C ATOM 0 H ALA A 658 6.223 -3.340 4.400 1.00 13.35 H new ATOM 0 HA ALA A 658 5.127 -1.509 2.610 1.00 1.52 H new ATOM 0 HB1 ALA A 658 3.117 -1.780 3.983 1.00 14.45 H new ATOM 0 HB2 ALA A 658 3.884 -3.339 3.598 1.00 14.45 H new ATOM 0 HB3 ALA A 658 4.083 -2.626 5.216 1.00 14.45 H new ATOM 1162 N MET A 659 5.712 -0.340 5.647 1.00 42.21 N ATOM 1163 CA MET A 659 5.861 0.920 6.381 1.00 73.14 C ATOM 1164 C MET A 659 6.940 1.797 5.798 1.00 1.33 C ATOM 1165 O MET A 659 6.780 3.009 5.740 1.00 2.31 O ATOM 1166 CB MET A 659 6.086 0.719 7.870 1.00 31.50 C ATOM 1167 CG MET A 659 4.903 0.136 8.584 1.00 24.34 C ATOM 1168 SD MET A 659 5.197 -0.041 10.337 1.00 10.14 S ATOM 1169 CE MET A 659 3.587 -0.541 10.869 1.00 53.11 C ATOM 0 H MET A 659 5.898 -1.179 6.196 1.00 42.21 H new ATOM 0 HA MET A 659 4.907 1.434 6.265 1.00 73.14 H new ATOM 0 HB2 MET A 659 6.945 0.064 8.014 1.00 31.50 H new ATOM 0 HB3 MET A 659 6.337 1.678 8.323 1.00 31.50 H new ATOM 0 HG2 MET A 659 4.034 0.774 8.425 1.00 24.34 H new ATOM 0 HG3 MET A 659 4.666 -0.838 8.156 1.00 24.34 H new ATOM 0 HE1 MET A 659 3.259 0.100 11.688 1.00 53.11 H new ATOM 0 HE2 MET A 659 2.886 -0.455 10.038 1.00 53.11 H new ATOM 0 HE3 MET A 659 3.621 -1.576 11.209 1.00 53.11 H new ATOM 1179 N GLU A 660 8.022 1.186 5.337 1.00 75.01 N ATOM 1180 CA GLU A 660 9.100 1.910 4.739 1.00 61.45 C ATOM 1181 C GLU A 660 8.603 2.607 3.469 1.00 40.22 C ATOM 1182 O GLU A 660 8.824 3.813 3.277 1.00 2.42 O ATOM 1183 CB GLU A 660 10.229 0.953 4.406 1.00 42.41 C ATOM 1184 CG GLU A 660 11.465 1.645 3.938 1.00 1.30 C ATOM 1185 CD GLU A 660 12.573 0.692 3.595 1.00 52.12 C ATOM 1186 OE1 GLU A 660 13.114 0.045 4.515 1.00 12.45 O ATOM 1187 OE2 GLU A 660 12.945 0.601 2.412 1.00 71.32 O ATOM 0 H GLU A 660 8.163 0.176 5.374 1.00 75.01 H new ATOM 0 HA GLU A 660 9.469 2.663 5.435 1.00 61.45 H new ATOM 0 HB2 GLU A 660 10.465 0.358 5.288 1.00 42.41 H new ATOM 0 HB3 GLU A 660 9.894 0.260 3.635 1.00 42.41 H new ATOM 0 HG2 GLU A 660 11.228 2.249 3.062 1.00 1.30 H new ATOM 0 HG3 GLU A 660 11.808 2.329 4.714 1.00 1.30 H new ATOM 1194 N THR A 661 7.895 1.845 2.637 1.00 34.35 N ATOM 1195 CA THR A 661 7.338 2.348 1.391 1.00 3.44 C ATOM 1196 C THR A 661 6.297 3.422 1.699 1.00 62.14 C ATOM 1197 O THR A 661 6.287 4.497 1.105 1.00 35.02 O ATOM 1198 CB THR A 661 6.664 1.191 0.622 1.00 44.12 C ATOM 1199 OG1 THR A 661 7.627 0.148 0.376 1.00 11.33 O ATOM 1200 CG2 THR A 661 6.078 1.668 -0.693 1.00 22.13 C ATOM 0 H THR A 661 7.693 0.861 2.812 1.00 34.35 H new ATOM 0 HA THR A 661 8.136 2.773 0.783 1.00 3.44 H new ATOM 0 HB THR A 661 5.849 0.805 1.234 1.00 44.12 H new ATOM 0 HG1 THR A 661 7.760 -0.374 1.195 1.00 11.33 H new ATOM 0 HG21 THR A 661 5.611 0.829 -1.209 1.00 22.13 H new ATOM 0 HG22 THR A 661 5.330 2.437 -0.500 1.00 22.13 H new ATOM 0 HG23 THR A 661 6.871 2.081 -1.316 1.00 22.13 H new ATOM 1208 N LEU A 662 5.465 3.110 2.661 1.00 12.22 N ATOM 1209 CA LEU A 662 4.408 3.965 3.140 1.00 53.35 C ATOM 1210 C LEU A 662 4.940 5.312 3.574 1.00 15.21 C ATOM 1211 O LEU A 662 4.507 6.324 3.053 1.00 74.54 O ATOM 1212 CB LEU A 662 3.590 3.181 4.230 1.00 33.21 C ATOM 1213 CG LEU A 662 2.557 3.881 5.152 1.00 61.00 C ATOM 1214 CD1 LEU A 662 3.233 4.713 6.224 1.00 31.20 C ATOM 1215 CD2 LEU A 662 1.577 4.716 4.359 1.00 20.42 C ATOM 0 H LEU A 662 5.508 2.217 3.152 1.00 12.22 H new ATOM 0 HA LEU A 662 3.711 4.213 2.340 1.00 53.35 H new ATOM 0 HB2 LEU A 662 3.057 2.386 3.709 1.00 33.21 H new ATOM 0 HB3 LEU A 662 4.319 2.701 4.884 1.00 33.21 H new ATOM 0 HG LEU A 662 1.994 3.092 5.652 1.00 61.00 H new ATOM 0 HD11 LEU A 662 2.476 5.187 6.849 1.00 31.20 H new ATOM 0 HD12 LEU A 662 3.862 4.071 6.840 1.00 31.20 H new ATOM 0 HD13 LEU A 662 3.848 5.481 5.755 1.00 31.20 H new ATOM 0 HD21 LEU A 662 0.870 5.190 5.039 1.00 20.42 H new ATOM 0 HD22 LEU A 662 2.118 5.483 3.805 1.00 20.42 H new ATOM 0 HD23 LEU A 662 1.036 4.077 3.661 1.00 20.42 H new ATOM 1227 N ARG A 663 5.901 5.318 4.478 1.00 0.54 N ATOM 1228 CA ARG A 663 6.483 6.561 4.964 1.00 43.52 C ATOM 1229 C ARG A 663 7.112 7.337 3.833 1.00 13.35 C ATOM 1230 O ARG A 663 6.950 8.553 3.735 1.00 62.43 O ATOM 1231 CB ARG A 663 7.535 6.286 6.013 1.00 62.43 C ATOM 1232 CG ARG A 663 7.009 5.707 7.291 1.00 45.22 C ATOM 1233 CD ARG A 663 8.142 5.411 8.239 1.00 30.22 C ATOM 1234 NE ARG A 663 8.934 6.596 8.545 1.00 41.02 N ATOM 1235 CZ ARG A 663 10.048 6.588 9.271 1.00 64.52 C ATOM 1236 NH1 ARG A 663 10.519 5.440 9.773 1.00 25.12 N ATOM 1237 NH2 ARG A 663 10.699 7.722 9.484 1.00 21.21 N ATOM 0 H ARG A 663 6.298 4.475 4.893 1.00 0.54 H new ATOM 0 HA ARG A 663 5.678 7.150 5.403 1.00 43.52 H new ATOM 0 HB2 ARG A 663 8.273 5.601 5.597 1.00 62.43 H new ATOM 0 HB3 ARG A 663 8.055 7.217 6.239 1.00 62.43 H new ATOM 0 HG2 ARG A 663 6.312 6.405 7.754 1.00 45.22 H new ATOM 0 HG3 ARG A 663 6.453 4.793 7.082 1.00 45.22 H new ATOM 0 HD2 ARG A 663 7.740 4.997 9.164 1.00 30.22 H new ATOM 0 HD3 ARG A 663 8.787 4.649 7.803 1.00 30.22 H new ATOM 0 HE ARG A 663 8.612 7.491 8.178 1.00 41.02 H new ATOM 0 HH11 ARG A 663 10.023 4.566 9.599 1.00 25.12 H new ATOM 0 HH12 ARG A 663 11.374 5.439 10.329 1.00 25.12 H new ATOM 0 HH21 ARG A 663 10.345 8.595 9.092 1.00 21.21 H new ATOM 0 HH22 ARG A 663 11.554 7.722 10.040 1.00 21.21 H new ATOM 1251 N ARG A 664 7.798 6.616 2.963 1.00 44.24 N ATOM 1252 CA ARG A 664 8.493 7.216 1.853 1.00 62.12 C ATOM 1253 C ARG A 664 7.509 7.919 0.935 1.00 33.42 C ATOM 1254 O ARG A 664 7.644 9.083 0.648 1.00 23.20 O ATOM 1255 CB ARG A 664 9.199 6.130 1.053 1.00 21.45 C ATOM 1256 CG ARG A 664 10.062 6.644 -0.086 1.00 12.13 C ATOM 1257 CD ARG A 664 10.512 5.498 -0.978 1.00 24.03 C ATOM 1258 NE ARG A 664 11.183 4.428 -0.235 1.00 23.41 N ATOM 1259 CZ ARG A 664 10.998 3.112 -0.453 1.00 24.34 C ATOM 1260 NH1 ARG A 664 10.129 2.693 -1.374 1.00 63.43 N ATOM 1261 NH2 ARG A 664 11.666 2.220 0.265 1.00 3.45 N ATOM 0 H ARG A 664 7.885 5.601 3.012 1.00 44.24 H new ATOM 0 HA ARG A 664 9.213 7.936 2.241 1.00 62.12 H new ATOM 0 HB2 ARG A 664 9.823 5.546 1.730 1.00 21.45 H new ATOM 0 HB3 ARG A 664 8.449 5.452 0.646 1.00 21.45 H new ATOM 0 HG2 ARG A 664 9.502 7.371 -0.674 1.00 12.13 H new ATOM 0 HG3 ARG A 664 10.933 7.162 0.316 1.00 12.13 H new ATOM 0 HD2 ARG A 664 9.646 5.086 -1.496 1.00 24.03 H new ATOM 0 HD3 ARG A 664 11.188 5.882 -1.742 1.00 24.03 H new ATOM 0 HE ARG A 664 11.837 4.699 0.500 1.00 23.41 H new ATOM 0 HH11 ARG A 664 9.598 3.371 -1.920 1.00 63.43 H new ATOM 0 HH12 ARG A 664 9.996 1.694 -1.532 1.00 63.43 H new ATOM 0 HH21 ARG A 664 12.321 2.530 0.983 1.00 3.45 H new ATOM 0 HH22 ARG A 664 11.525 1.223 0.099 1.00 3.45 H new ATOM 1275 N SER A 665 6.492 7.229 0.538 1.00 64.54 N ATOM 1276 CA SER A 665 5.579 7.763 -0.417 1.00 64.21 C ATOM 1277 C SER A 665 4.602 8.752 0.197 1.00 72.20 C ATOM 1278 O SER A 665 4.184 9.689 -0.459 1.00 70.22 O ATOM 1279 CB SER A 665 4.866 6.644 -1.165 1.00 4.42 C ATOM 1280 OG SER A 665 5.810 5.849 -1.861 1.00 72.44 O ATOM 0 H SER A 665 6.271 6.288 0.863 1.00 64.54 H new ATOM 0 HA SER A 665 6.163 8.332 -1.141 1.00 64.21 H new ATOM 0 HB2 SER A 665 4.305 6.027 -0.464 1.00 4.42 H new ATOM 0 HB3 SER A 665 4.146 7.065 -1.866 1.00 4.42 H new ATOM 0 HG SER A 665 5.985 6.244 -2.741 1.00 72.44 H new ATOM 1286 N MET A 666 4.265 8.574 1.455 1.00 42.23 N ATOM 1287 CA MET A 666 3.301 9.466 2.070 1.00 60.40 C ATOM 1288 C MET A 666 3.935 10.815 2.371 1.00 65.00 C ATOM 1289 O MET A 666 3.264 11.851 2.343 1.00 13.01 O ATOM 1290 CB MET A 666 2.617 8.823 3.316 1.00 14.22 C ATOM 1291 CG MET A 666 3.461 8.662 4.587 1.00 21.45 C ATOM 1292 SD MET A 666 3.726 10.201 5.482 1.00 13.43 S ATOM 1293 CE MET A 666 2.025 10.656 5.805 1.00 0.52 C ATOM 0 H MET A 666 4.632 7.840 2.061 1.00 42.23 H new ATOM 0 HA MET A 666 2.497 9.641 1.355 1.00 60.40 H new ATOM 0 HB2 MET A 666 1.743 9.424 3.567 1.00 14.22 H new ATOM 0 HB3 MET A 666 2.253 7.837 3.028 1.00 14.22 H new ATOM 0 HG2 MET A 666 2.972 7.947 5.249 1.00 21.45 H new ATOM 0 HG3 MET A 666 4.428 8.237 4.318 1.00 21.45 H new ATOM 0 HE1 MET A 666 1.761 11.527 5.205 1.00 0.52 H new ATOM 0 HE2 MET A 666 1.370 9.824 5.545 1.00 0.52 H new ATOM 0 HE3 MET A 666 1.907 10.895 6.862 1.00 0.52 H new ATOM 1303 N SER A 667 5.221 10.806 2.637 1.00 51.52 N ATOM 1304 CA SER A 667 5.922 12.017 2.917 1.00 21.41 C ATOM 1305 C SER A 667 6.537 12.587 1.630 1.00 42.44 C ATOM 1306 O SER A 667 6.261 13.733 1.250 1.00 20.20 O ATOM 1307 CB SER A 667 6.997 11.772 3.975 1.00 53.30 C ATOM 1308 OG SER A 667 7.565 12.996 4.437 1.00 11.05 O ATOM 0 H SER A 667 5.796 9.964 2.663 1.00 51.52 H new ATOM 0 HA SER A 667 5.218 12.750 3.310 1.00 21.41 H new ATOM 0 HB2 SER A 667 6.564 11.230 4.816 1.00 53.30 H new ATOM 0 HB3 SER A 667 7.781 11.140 3.559 1.00 53.30 H new ATOM 0 HG SER A 667 8.248 12.805 5.114 1.00 11.05 H new ATOM 1314 N THR A 668 7.325 11.774 0.933 1.00 4.02 N ATOM 1315 CA THR A 668 8.035 12.235 -0.241 1.00 63.34 C ATOM 1316 C THR A 668 7.074 12.551 -1.377 1.00 71.53 C ATOM 1317 O THR A 668 7.011 13.681 -1.856 1.00 32.41 O ATOM 1318 CB THR A 668 9.060 11.184 -0.695 1.00 12.01 C ATOM 1319 OG1 THR A 668 9.961 10.903 0.400 1.00 21.12 O ATOM 1320 CG2 THR A 668 9.858 11.658 -1.899 1.00 60.03 C ATOM 0 H THR A 668 7.484 10.794 1.166 1.00 4.02 H new ATOM 0 HA THR A 668 8.560 13.152 0.026 1.00 63.34 H new ATOM 0 HB THR A 668 8.520 10.284 -0.988 1.00 12.01 H new ATOM 0 HG1 THR A 668 9.596 10.175 0.945 1.00 21.12 H new ATOM 0 HG21 THR A 668 10.572 10.887 -2.189 1.00 60.03 H new ATOM 0 HG22 THR A 668 9.180 11.856 -2.729 1.00 60.03 H new ATOM 0 HG23 THR A 668 10.395 12.571 -1.643 1.00 60.03 H new ATOM 1328 N GLU A 669 6.292 11.572 -1.757 1.00 74.23 N ATOM 1329 CA GLU A 669 5.393 11.724 -2.883 1.00 10.25 C ATOM 1330 C GLU A 669 4.094 12.414 -2.463 1.00 44.10 C ATOM 1331 O GLU A 669 3.367 12.952 -3.293 1.00 64.44 O ATOM 1332 CB GLU A 669 5.144 10.367 -3.545 1.00 22.11 C ATOM 1333 CG GLU A 669 6.434 9.715 -4.032 1.00 32.23 C ATOM 1334 CD GLU A 669 6.238 8.366 -4.672 1.00 71.12 C ATOM 1335 OE1 GLU A 669 6.244 7.348 -3.955 1.00 32.03 O ATOM 1336 OE2 GLU A 669 6.128 8.295 -5.909 1.00 43.24 O ATOM 0 H GLU A 669 6.257 10.658 -1.305 1.00 74.23 H new ATOM 0 HA GLU A 669 5.862 12.371 -3.624 1.00 10.25 H new ATOM 0 HB2 GLU A 669 4.650 9.704 -2.835 1.00 22.11 H new ATOM 0 HB3 GLU A 669 4.464 10.495 -4.387 1.00 22.11 H new ATOM 0 HG2 GLU A 669 6.916 10.379 -4.750 1.00 32.23 H new ATOM 0 HG3 GLU A 669 7.116 9.609 -3.188 1.00 32.23 H new ATOM 1343 N GLY A 670 3.824 12.406 -1.164 1.00 45.20 N ATOM 1344 CA GLY A 670 2.643 13.058 -0.631 1.00 13.04 C ATOM 1345 C GLY A 670 2.728 14.552 -0.780 1.00 25.20 C ATOM 1346 O GLY A 670 1.857 15.178 -1.381 1.00 74.43 O ATOM 0 H GLY A 670 4.410 11.954 -0.462 1.00 45.20 H new ATOM 0 HA2 GLY A 670 1.757 12.689 -1.148 1.00 13.04 H new ATOM 0 HA3 GLY A 670 2.528 12.802 0.422 1.00 13.04 H new ATOM 1350 N ASN A 671 3.804 15.127 -0.272 1.00 63.31 N ATOM 1351 CA ASN A 671 4.015 16.570 -0.363 1.00 3.34 C ATOM 1352 C ASN A 671 4.357 16.997 -1.777 1.00 74.31 C ATOM 1353 O ASN A 671 4.343 18.185 -2.104 1.00 75.50 O ATOM 1354 CB ASN A 671 5.093 17.048 0.620 1.00 40.41 C ATOM 1355 CG ASN A 671 4.665 16.930 2.068 1.00 13.12 C ATOM 1356 OD1 ASN A 671 4.871 15.898 2.720 1.00 60.54 O ATOM 1357 ND2 ASN A 671 4.076 17.973 2.585 1.00 44.24 N ATOM 0 H ASN A 671 4.548 14.621 0.209 1.00 63.31 H new ATOM 0 HA ASN A 671 3.073 17.044 -0.086 1.00 3.34 H new ATOM 0 HB2 ASN A 671 6.001 16.466 0.466 1.00 40.41 H new ATOM 0 HB3 ASN A 671 5.340 18.087 0.403 1.00 40.41 H new ATOM 0 HD21 ASN A 671 3.768 17.955 3.557 1.00 44.24 H new ATOM 0 HD22 ASN A 671 3.923 18.806 2.017 1.00 44.24 H new ATOM 1364 N LYS A 672 4.660 16.041 -2.616 1.00 3.34 N ATOM 1365 CA LYS A 672 4.971 16.325 -3.989 1.00 21.14 C ATOM 1366 C LYS A 672 3.687 16.481 -4.798 1.00 44.13 C ATOM 1367 O LYS A 672 3.502 17.466 -5.487 1.00 14.21 O ATOM 1368 CB LYS A 672 5.853 15.221 -4.580 1.00 74.32 C ATOM 1369 CG LYS A 672 6.260 15.447 -6.030 1.00 64.34 C ATOM 1370 CD LYS A 672 7.060 16.726 -6.197 1.00 42.40 C ATOM 1371 CE LYS A 672 7.474 16.940 -7.645 1.00 53.02 C ATOM 1372 NZ LYS A 672 8.227 18.202 -7.822 1.00 3.40 N ATOM 0 H LYS A 672 4.698 15.052 -2.368 1.00 3.34 H new ATOM 0 HA LYS A 672 5.525 17.263 -4.035 1.00 21.14 H new ATOM 0 HB2 LYS A 672 6.754 15.129 -3.973 1.00 74.32 H new ATOM 0 HB3 LYS A 672 5.322 14.272 -4.508 1.00 74.32 H new ATOM 0 HG2 LYS A 672 6.851 14.600 -6.378 1.00 64.34 H new ATOM 0 HG3 LYS A 672 5.368 15.491 -6.655 1.00 64.34 H new ATOM 0 HD2 LYS A 672 6.466 17.575 -5.858 1.00 42.40 H new ATOM 0 HD3 LYS A 672 7.948 16.686 -5.566 1.00 42.40 H new ATOM 0 HE2 LYS A 672 8.087 16.102 -7.975 1.00 53.02 H new ATOM 0 HE3 LYS A 672 6.587 16.955 -8.278 1.00 53.02 H new ATOM 0 HZ1 LYS A 672 8.491 18.311 -8.822 1.00 3.40 H new ATOM 0 HZ2 LYS A 672 7.633 19.004 -7.531 1.00 3.40 H new ATOM 0 HZ3 LYS A 672 9.087 18.178 -7.238 1.00 3.40 H new ATOM 1386 N ARG A 673 2.794 15.517 -4.670 1.00 21.03 N ATOM 1387 CA ARG A 673 1.557 15.496 -5.452 1.00 54.30 C ATOM 1388 C ARG A 673 0.462 16.371 -4.857 1.00 3.43 C ATOM 1389 O ARG A 673 -0.574 16.583 -5.475 1.00 4.23 O ATOM 1390 CB ARG A 673 1.084 14.059 -5.643 1.00 54.33 C ATOM 1391 CG ARG A 673 2.065 13.234 -6.447 1.00 42.01 C ATOM 1392 CD ARG A 673 1.668 11.783 -6.560 1.00 62.33 C ATOM 1393 NE ARG A 673 2.615 11.051 -7.409 1.00 31.10 N ATOM 1394 CZ ARG A 673 2.842 9.738 -7.365 1.00 3.22 C ATOM 1395 NH1 ARG A 673 2.237 8.984 -6.458 1.00 42.44 N ATOM 1396 NH2 ARG A 673 3.689 9.185 -8.228 1.00 70.05 N ATOM 0 H ARG A 673 2.897 14.730 -4.029 1.00 21.03 H new ATOM 0 HA ARG A 673 1.782 15.927 -6.428 1.00 54.30 H new ATOM 0 HB2 ARG A 673 0.936 13.595 -4.668 1.00 54.33 H new ATOM 0 HB3 ARG A 673 0.117 14.061 -6.145 1.00 54.33 H new ATOM 0 HG2 ARG A 673 2.153 13.659 -7.447 1.00 42.01 H new ATOM 0 HG3 ARG A 673 3.050 13.300 -5.985 1.00 42.01 H new ATOM 0 HD2 ARG A 673 1.636 11.331 -5.569 1.00 62.33 H new ATOM 0 HD3 ARG A 673 0.664 11.707 -6.977 1.00 62.33 H new ATOM 0 HE ARG A 673 3.145 11.593 -8.091 1.00 31.10 H new ATOM 0 HH11 ARG A 673 1.594 9.408 -5.789 1.00 42.44 H new ATOM 0 HH12 ARG A 673 2.414 7.980 -6.429 1.00 42.44 H new ATOM 0 HH21 ARG A 673 4.163 9.765 -8.921 1.00 70.05 H new ATOM 0 HH22 ARG A 673 3.865 8.181 -8.197 1.00 70.05 H new ATOM 1410 N GLY A 674 0.676 16.850 -3.653 1.00 31.42 N ATOM 1411 CA GLY A 674 -0.295 17.747 -3.032 1.00 60.33 C ATOM 1412 C GLY A 674 -1.368 16.997 -2.267 1.00 71.33 C ATOM 1413 O GLY A 674 -1.927 17.514 -1.284 1.00 62.24 O ATOM 0 H GLY A 674 1.497 16.643 -3.085 1.00 31.42 H new ATOM 0 HA2 GLY A 674 0.223 18.426 -2.355 1.00 60.33 H new ATOM 0 HA3 GLY A 674 -0.763 18.360 -3.802 1.00 60.33 H new ATOM 1417 N MET A 675 -1.666 15.804 -2.720 1.00 13.05 N ATOM 1418 CA MET A 675 -2.595 14.932 -2.062 1.00 1.33 C ATOM 1419 C MET A 675 -2.065 13.527 -2.106 1.00 34.43 C ATOM 1420 O MET A 675 -1.234 13.193 -2.953 1.00 33.20 O ATOM 1421 CB MET A 675 -4.014 14.993 -2.667 1.00 73.11 C ATOM 1422 CG MET A 675 -4.119 14.569 -4.116 1.00 52.55 C ATOM 1423 SD MET A 675 -5.813 14.666 -4.717 1.00 73.11 S ATOM 1424 CE MET A 675 -5.580 14.143 -6.404 1.00 53.20 C ATOM 0 H MET A 675 -1.261 15.410 -3.569 1.00 13.05 H new ATOM 0 HA MET A 675 -2.691 15.269 -1.030 1.00 1.33 H new ATOM 0 HB2 MET A 675 -4.672 14.360 -2.072 1.00 73.11 H new ATOM 0 HB3 MET A 675 -4.386 16.014 -2.577 1.00 73.11 H new ATOM 0 HG2 MET A 675 -3.479 15.204 -4.728 1.00 52.55 H new ATOM 0 HG3 MET A 675 -3.752 13.548 -4.224 1.00 52.55 H new ATOM 0 HE1 MET A 675 -6.539 14.147 -6.922 1.00 53.20 H new ATOM 0 HE2 MET A 675 -4.894 14.826 -6.905 1.00 53.20 H new ATOM 0 HE3 MET A 675 -5.164 13.136 -6.418 1.00 53.20 H new ATOM 1434 N ILE A 676 -2.520 12.737 -1.203 1.00 2.40 N ATOM 1435 CA ILE A 676 -2.111 11.384 -1.089 1.00 13.44 C ATOM 1436 C ILE A 676 -3.305 10.450 -1.321 1.00 74.04 C ATOM 1437 O ILE A 676 -4.408 10.712 -0.874 1.00 55.15 O ATOM 1438 CB ILE A 676 -1.433 11.128 0.291 1.00 13.51 C ATOM 1439 CG1 ILE A 676 -1.111 9.648 0.459 1.00 10.53 C ATOM 1440 CG2 ILE A 676 -2.305 11.642 1.429 1.00 31.22 C ATOM 1441 CD1 ILE A 676 -0.336 9.308 1.681 1.00 14.21 C ATOM 0 H ILE A 676 -3.206 13.021 -0.503 1.00 2.40 H new ATOM 0 HA ILE A 676 -1.368 11.171 -1.858 1.00 13.44 H new ATOM 0 HB ILE A 676 -0.494 11.681 0.324 1.00 13.51 H new ATOM 0 HG12 ILE A 676 -2.046 9.088 0.472 1.00 10.53 H new ATOM 0 HG13 ILE A 676 -0.550 9.312 -0.413 1.00 10.53 H new ATOM 0 HG21 ILE A 676 -1.810 11.452 2.381 1.00 31.22 H new ATOM 0 HG22 ILE A 676 -2.463 12.714 1.310 1.00 31.22 H new ATOM 0 HG23 ILE A 676 -3.267 11.129 1.411 1.00 31.22 H new ATOM 0 HD11 ILE A 676 -0.157 8.233 1.711 1.00 14.21 H new ATOM 0 HD12 ILE A 676 0.618 9.835 1.665 1.00 14.21 H new ATOM 0 HD13 ILE A 676 -0.900 9.606 2.565 1.00 14.21 H new ATOM 1453 N GLN A 677 -3.067 9.391 -2.034 1.00 61.53 N ATOM 1454 CA GLN A 677 -4.100 8.438 -2.398 1.00 51.40 C ATOM 1455 C GLN A 677 -3.961 7.169 -1.561 1.00 13.43 C ATOM 1456 O GLN A 677 -2.871 6.714 -1.332 1.00 2.11 O ATOM 1457 CB GLN A 677 -3.948 8.117 -3.878 1.00 23.14 C ATOM 1458 CG GLN A 677 -4.951 7.131 -4.419 1.00 44.22 C ATOM 1459 CD GLN A 677 -4.794 6.892 -5.914 1.00 1.23 C ATOM 1460 OE1 GLN A 677 -5.088 5.813 -6.418 1.00 54.52 O ATOM 1461 NE2 GLN A 677 -4.342 7.888 -6.635 1.00 4.35 N ATOM 0 H GLN A 677 -2.141 9.151 -2.389 1.00 61.53 H new ATOM 0 HA GLN A 677 -5.087 8.860 -2.208 1.00 51.40 H new ATOM 0 HB2 GLN A 677 -4.028 9.044 -4.446 1.00 23.14 H new ATOM 0 HB3 GLN A 677 -2.946 7.724 -4.049 1.00 23.14 H new ATOM 0 HG2 GLN A 677 -4.844 6.184 -3.891 1.00 44.22 H new ATOM 0 HG3 GLN A 677 -5.958 7.496 -4.218 1.00 44.22 H new ATOM 0 HE21 GLN A 677 -4.105 8.774 -6.189 1.00 4.35 H new ATOM 0 HE22 GLN A 677 -4.227 7.777 -7.642 1.00 4.35 H new ATOM 1470 N LEU A 678 -5.047 6.628 -1.087 1.00 5.34 N ATOM 1471 CA LEU A 678 -4.993 5.418 -0.286 1.00 44.24 C ATOM 1472 C LEU A 678 -5.992 4.403 -0.820 1.00 61.34 C ATOM 1473 O LEU A 678 -7.157 4.743 -1.057 1.00 23.51 O ATOM 1474 CB LEU A 678 -5.349 5.680 1.215 1.00 22.24 C ATOM 1475 CG LEU A 678 -4.576 6.759 2.011 1.00 71.42 C ATOM 1476 CD1 LEU A 678 -3.092 6.513 1.990 1.00 52.55 C ATOM 1477 CD2 LEU A 678 -4.925 8.171 1.562 1.00 72.22 C ATOM 0 H LEU A 678 -5.985 6.999 -1.236 1.00 5.34 H new ATOM 0 HA LEU A 678 -3.970 5.048 -0.349 1.00 44.24 H new ATOM 0 HB2 LEU A 678 -6.407 5.940 1.258 1.00 22.24 H new ATOM 0 HB3 LEU A 678 -5.231 4.736 1.747 1.00 22.24 H new ATOM 0 HG LEU A 678 -4.901 6.675 3.048 1.00 71.42 H new ATOM 0 HD11 LEU A 678 -2.586 7.292 2.560 1.00 52.55 H new ATOM 0 HD12 LEU A 678 -2.878 5.541 2.435 1.00 52.55 H new ATOM 0 HD13 LEU A 678 -2.735 6.527 0.960 1.00 52.55 H new ATOM 0 HD21 LEU A 678 -4.357 8.891 2.151 1.00 72.22 H new ATOM 0 HD22 LEU A 678 -4.677 8.289 0.507 1.00 72.22 H new ATOM 0 HD23 LEU A 678 -5.991 8.346 1.706 1.00 72.22 H new ATOM 1489 N ILE A 679 -5.553 3.189 -1.035 1.00 34.13 N ATOM 1490 CA ILE A 679 -6.468 2.114 -1.354 1.00 44.24 C ATOM 1491 C ILE A 679 -6.512 1.218 -0.165 1.00 2.41 C ATOM 1492 O ILE A 679 -5.483 0.654 0.244 1.00 22.44 O ATOM 1493 CB ILE A 679 -6.131 1.248 -2.634 1.00 45.24 C ATOM 1494 CG1 ILE A 679 -6.182 2.058 -3.935 1.00 30.12 C ATOM 1495 CG2 ILE A 679 -7.083 0.063 -2.746 1.00 64.11 C ATOM 1496 CD1 ILE A 679 -5.082 3.046 -4.091 1.00 2.23 C ATOM 0 H ILE A 679 -4.571 2.917 -0.996 1.00 34.13 H new ATOM 0 HA ILE A 679 -7.419 2.588 -1.598 1.00 44.24 H new ATOM 0 HB ILE A 679 -5.107 0.897 -2.502 1.00 45.24 H new ATOM 0 HG12 ILE A 679 -6.156 1.368 -4.779 1.00 30.12 H new ATOM 0 HG13 ILE A 679 -7.135 2.584 -3.983 1.00 30.12 H new ATOM 0 HG21 ILE A 679 -6.835 -0.520 -3.633 1.00 64.11 H new ATOM 0 HG22 ILE A 679 -6.988 -0.565 -1.860 1.00 64.11 H new ATOM 0 HG23 ILE A 679 -8.108 0.426 -2.825 1.00 64.11 H new ATOM 0 HD11 ILE A 679 -5.198 3.573 -5.038 1.00 2.23 H new ATOM 0 HD12 ILE A 679 -5.118 3.763 -3.271 1.00 2.23 H new ATOM 0 HD13 ILE A 679 -4.123 2.528 -4.079 1.00 2.23 H new ATOM 1508 N VAL A 680 -7.653 1.109 0.402 1.00 64.52 N ATOM 1509 CA VAL A 680 -7.854 0.319 1.568 1.00 1.31 C ATOM 1510 C VAL A 680 -8.946 -0.711 1.300 1.00 43.20 C ATOM 1511 O VAL A 680 -9.821 -0.503 0.439 1.00 2.01 O ATOM 1512 CB VAL A 680 -8.209 1.205 2.797 1.00 72.02 C ATOM 1513 CG1 VAL A 680 -7.018 2.067 3.198 1.00 32.15 C ATOM 1514 CG2 VAL A 680 -9.402 2.103 2.500 1.00 24.43 C ATOM 0 H VAL A 680 -8.496 1.575 0.066 1.00 64.52 H new ATOM 0 HA VAL A 680 -6.926 -0.200 1.806 1.00 1.31 H new ATOM 0 HB VAL A 680 -8.467 0.537 3.619 1.00 72.02 H new ATOM 0 HG11 VAL A 680 -7.286 2.679 4.059 1.00 32.15 H new ATOM 0 HG12 VAL A 680 -6.175 1.426 3.457 1.00 32.15 H new ATOM 0 HG13 VAL A 680 -6.740 2.713 2.365 1.00 32.15 H new ATOM 0 HG21 VAL A 680 -9.627 2.711 3.377 1.00 24.43 H new ATOM 0 HG22 VAL A 680 -9.167 2.754 1.658 1.00 24.43 H new ATOM 0 HG23 VAL A 680 -10.267 1.488 2.253 1.00 24.43 H new ATOM 1524 N ALA A 681 -8.888 -1.806 1.998 1.00 21.22 N ATOM 1525 CA ALA A 681 -9.808 -2.889 1.808 1.00 41.25 C ATOM 1526 C ALA A 681 -10.710 -3.023 3.008 1.00 43.35 C ATOM 1527 O ALA A 681 -10.255 -2.901 4.149 1.00 32.24 O ATOM 1528 CB ALA A 681 -9.054 -4.181 1.625 1.00 54.23 C ATOM 0 H ALA A 681 -8.192 -1.975 2.724 1.00 21.22 H new ATOM 0 HA ALA A 681 -10.405 -2.679 0.921 1.00 41.25 H new ATOM 0 HB1 ALA A 681 -9.761 -4.998 1.481 1.00 54.23 H new ATOM 0 HB2 ALA A 681 -8.407 -4.104 0.752 1.00 54.23 H new ATOM 0 HB3 ALA A 681 -8.448 -4.377 2.510 1.00 54.23 H new ATOM 1534 N ARG A 682 -11.970 -3.273 2.774 1.00 52.00 N ATOM 1535 CA ARG A 682 -12.893 -3.445 3.877 1.00 34.14 C ATOM 1536 C ARG A 682 -13.470 -4.836 3.836 1.00 1.35 C ATOM 1537 O ARG A 682 -13.706 -5.377 2.740 1.00 25.13 O ATOM 1538 CB ARG A 682 -14.000 -2.334 3.884 1.00 32.33 C ATOM 1539 CG ARG A 682 -15.110 -2.412 2.810 1.00 2.52 C ATOM 1540 CD ARG A 682 -16.223 -3.367 3.233 1.00 51.11 C ATOM 1541 NE ARG A 682 -17.287 -3.531 2.234 1.00 65.01 N ATOM 1542 CZ ARG A 682 -18.527 -3.968 2.503 1.00 10.31 C ATOM 1543 NH1 ARG A 682 -18.914 -4.184 3.757 1.00 3.40 N ATOM 1544 NH2 ARG A 682 -19.374 -4.167 1.513 1.00 64.42 N ATOM 0 H ARG A 682 -12.382 -3.362 1.845 1.00 52.00 H new ATOM 0 HA ARG A 682 -12.352 -3.330 4.816 1.00 34.14 H new ATOM 0 HB2 ARG A 682 -14.480 -2.346 4.863 1.00 32.33 H new ATOM 0 HB3 ARG A 682 -13.505 -1.368 3.784 1.00 32.33 H new ATOM 0 HG2 ARG A 682 -15.525 -1.419 2.640 1.00 2.52 H new ATOM 0 HG3 ARG A 682 -14.682 -2.745 1.865 1.00 2.52 H new ATOM 0 HD2 ARG A 682 -15.787 -4.343 3.447 1.00 51.11 H new ATOM 0 HD3 ARG A 682 -16.664 -3.004 4.161 1.00 51.11 H new ATOM 0 HE ARG A 682 -17.068 -3.296 1.266 1.00 65.01 H new ATOM 0 HH11 ARG A 682 -18.266 -4.017 4.527 1.00 3.40 H new ATOM 0 HH12 ARG A 682 -19.859 -4.516 3.949 1.00 3.40 H new ATOM 0 HH21 ARG A 682 -19.085 -3.989 0.551 1.00 64.42 H new ATOM 0 HH22 ARG A 682 -20.318 -4.499 1.709 1.00 64.42 H new ATOM 1839 N GLU B 780 4.297 -2.256 16.165 1.00 10.21 N ATOM 1840 CA GLU B 780 4.835 -1.536 15.067 1.00 53.15 C ATOM 1841 C GLU B 780 3.777 -0.651 14.555 1.00 30.34 C ATOM 1842 O GLU B 780 2.942 -1.054 13.769 1.00 23.22 O ATOM 1843 CB GLU B 780 5.366 -2.467 13.993 1.00 21.21 C ATOM 1844 CG GLU B 780 6.416 -3.403 14.525 1.00 44.40 C ATOM 1845 CD GLU B 780 7.057 -4.250 13.471 1.00 13.04 C ATOM 1846 OE1 GLU B 780 6.486 -5.278 13.079 1.00 40.53 O ATOM 1847 OE2 GLU B 780 8.166 -3.891 13.024 1.00 41.42 O ATOM 0 HA GLU B 780 5.690 -0.942 15.389 1.00 53.15 H new ATOM 0 HB2 GLU B 780 4.542 -3.046 13.576 1.00 21.21 H new ATOM 0 HB3 GLU B 780 5.786 -1.878 13.178 1.00 21.21 H new ATOM 0 HG2 GLU B 780 7.187 -2.821 15.029 1.00 44.40 H new ATOM 0 HG3 GLU B 780 5.965 -4.052 15.275 1.00 44.40 H new ATOM 1854 N GLU B 781 3.765 0.518 15.086 1.00 3.32 N ATOM 1855 CA GLU B 781 2.781 1.508 14.782 1.00 62.44 C ATOM 1856 C GLU B 781 3.402 2.616 13.999 1.00 61.24 C ATOM 1857 O GLU B 781 4.505 3.072 14.316 1.00 42.31 O ATOM 1858 CB GLU B 781 2.196 2.052 16.070 1.00 22.21 C ATOM 1859 CG GLU B 781 1.447 1.017 16.885 1.00 64.20 C ATOM 1860 CD GLU B 781 1.010 1.508 18.240 1.00 30.24 C ATOM 1861 OE1 GLU B 781 1.854 2.000 19.013 1.00 20.53 O ATOM 1862 OE2 GLU B 781 -0.195 1.436 18.529 1.00 23.21 O ATOM 0 H GLU B 781 4.459 0.828 15.766 1.00 3.32 H new ATOM 0 HA GLU B 781 1.987 1.057 14.188 1.00 62.44 H new ATOM 0 HB2 GLU B 781 3.001 2.467 16.677 1.00 22.21 H new ATOM 0 HB3 GLU B 781 1.520 2.873 15.833 1.00 22.21 H new ATOM 0 HG2 GLU B 781 0.569 0.694 16.326 1.00 64.20 H new ATOM 0 HG3 GLU B 781 2.083 0.141 17.014 1.00 64.20 H new ATOM 1869 N LEU B 782 2.719 3.040 12.996 1.00 23.13 N ATOM 1870 CA LEU B 782 3.184 4.085 12.170 1.00 63.04 C ATOM 1871 C LEU B 782 2.086 5.136 12.107 1.00 41.14 C ATOM 1872 O LEU B 782 0.926 4.810 11.868 1.00 11.13 O ATOM 1873 CB LEU B 782 3.469 3.531 10.768 1.00 61.30 C ATOM 1874 CG LEU B 782 4.727 4.037 10.092 1.00 50.44 C ATOM 1875 CD1 LEU B 782 4.786 5.553 10.065 1.00 75.15 C ATOM 1876 CD2 LEU B 782 5.944 3.425 10.750 1.00 50.53 C ATOM 0 H LEU B 782 1.810 2.663 12.726 1.00 23.13 H new ATOM 0 HA LEU B 782 4.103 4.521 12.562 1.00 63.04 H new ATOM 0 HB2 LEU B 782 3.529 2.445 10.835 1.00 61.30 H new ATOM 0 HB3 LEU B 782 2.618 3.765 10.128 1.00 61.30 H new ATOM 0 HG LEU B 782 4.711 3.722 9.049 1.00 50.44 H new ATOM 0 HD11 LEU B 782 5.704 5.873 9.572 1.00 75.15 H new ATOM 0 HD12 LEU B 782 3.926 5.941 9.519 1.00 75.15 H new ATOM 0 HD13 LEU B 782 4.770 5.936 11.085 1.00 75.15 H new ATOM 0 HD21 LEU B 782 6.846 3.792 10.260 1.00 50.53 H new ATOM 0 HD22 LEU B 782 5.965 3.702 11.804 1.00 50.53 H new ATOM 0 HD23 LEU B 782 5.899 2.340 10.661 1.00 50.53 H new ATOM 1888 N ILE B 783 2.421 6.362 12.353 1.00 31.21 N ATOM 1889 CA ILE B 783 1.435 7.418 12.289 1.00 14.43 C ATOM 1890 C ILE B 783 1.615 8.204 11.016 1.00 22.32 C ATOM 1891 O ILE B 783 2.725 8.665 10.698 1.00 63.34 O ATOM 1892 CB ILE B 783 1.424 8.398 13.532 1.00 62.32 C ATOM 1893 CG1 ILE B 783 1.093 7.666 14.865 1.00 52.23 C ATOM 1894 CG2 ILE B 783 0.418 9.551 13.311 1.00 20.11 C ATOM 1895 CD1 ILE B 783 2.148 6.695 15.375 1.00 60.52 C ATOM 0 H ILE B 783 3.363 6.666 12.600 1.00 31.21 H new ATOM 0 HA ILE B 783 0.467 6.918 12.308 1.00 14.43 H new ATOM 0 HB ILE B 783 2.433 8.803 13.616 1.00 62.32 H new ATOM 0 HG12 ILE B 783 0.918 8.418 15.635 1.00 52.23 H new ATOM 0 HG13 ILE B 783 0.159 7.120 14.734 1.00 52.23 H new ATOM 0 HG21 ILE B 783 0.427 10.212 14.177 1.00 20.11 H new ATOM 0 HG22 ILE B 783 0.700 10.114 12.421 1.00 20.11 H new ATOM 0 HG23 ILE B 783 -0.583 9.140 13.178 1.00 20.11 H new ATOM 0 HD11 ILE B 783 1.808 6.246 16.308 1.00 60.52 H new ATOM 0 HD12 ILE B 783 2.311 5.913 14.634 1.00 60.52 H new ATOM 0 HD13 ILE B 783 3.081 7.230 15.549 1.00 60.52 H new ATOM 1907 N ILE B 784 0.553 8.341 10.292 1.00 40.13 N ATOM 1908 CA ILE B 784 0.553 9.063 9.080 1.00 61.23 C ATOM 1909 C ILE B 784 -0.398 10.229 9.168 1.00 41.21 C ATOM 1910 O ILE B 784 0.064 11.358 9.253 1.00 35.63 O ATOM 1911 CB ILE B 784 0.276 8.194 7.833 1.00 3.00 C ATOM 1912 CG1 ILE B 784 -1.007 7.373 7.963 1.00 50.54 C ATOM 1913 CG2 ILE B 784 1.461 7.302 7.534 1.00 64.31 C ATOM 1914 CD1 ILE B 784 -1.345 6.624 6.704 1.00 33.31 C ATOM 1915 OXT ILE B 784 -1.600 10.025 9.155 1.00 35.63 O ATOM 0 H ILE B 784 -0.353 7.943 10.539 1.00 40.13 H new ATOM 0 HA ILE B 784 1.567 9.439 8.942 1.00 61.23 H new ATOM 0 HB ILE B 784 0.127 8.875 6.995 1.00 3.00 H new ATOM 0 HG12 ILE B 784 -0.899 6.665 8.785 1.00 50.54 H new ATOM 0 HG13 ILE B 784 -1.833 8.036 8.220 1.00 50.54 H new ATOM 0 HG21 ILE B 784 1.248 6.697 6.653 1.00 64.31 H new ATOM 0 HG22 ILE B 784 2.342 7.917 7.348 1.00 64.31 H new ATOM 0 HG23 ILE B 784 1.648 6.648 8.386 1.00 64.31 H new ATOM 0 HD11 ILE B 784 -2.265 6.058 6.853 1.00 33.31 H new ATOM 0 HD12 ILE B 784 -1.482 7.331 5.886 1.00 33.31 H new ATOM 0 HD13 ILE B 784 -0.533 5.939 6.459 1.00 33.31 H new