USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 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 653 LYS NZ :NH3+ -141:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 661 THR OG1 : rot 73:sc= 2.01 USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 594 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.98) USER MOD Single : A 596 SER OG : rot -36:sc= 1.82 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -0.626 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 ASN : amide:sc= -1.57 K(o=-1.6,f=-7.4!) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 622 LYS NZ :NH3+ 143:sc= 1.07 (180deg=-0.309!) USER MOD Single : A 623 SER OG : rot 81:sc= -1.4 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 631 SER OG : rot 169:sc= 1.5 USER MOD Single : A 632 LYS NZ :NH3+ 169:sc= -0.0051 (180deg=-0.138) USER MOD Single : A 639 ASN : amide:sc= -0.106 K(o=-0.11,f=-1) USER MOD Single : A 641 GLN : amide:sc= 0.298 X(o=0.3,f=-0.094) USER MOD Single : A 646 ASN : amide:sc= -0.781 X(o=-0.78,f=-0.88) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 655 ASN : amide:sc= -0.0886 K(o=-0.089,f=-1.3) USER MOD Single : A 656 GLN : amide:sc= -1.02 K(o=-1,f=-2.8) USER MOD Single : A 659 MET CE :methyl -133:sc= -3.74! (180deg=-5.28!) USER MOD Single : A 665 SER OG : rot -84:sc= 1.28 USER MOD Single : A 666 MET CE :methyl 132:sc= -3.67! (180deg=-5.5!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 180:sc= 0 USER MOD Single : A 671 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.0051) USER MOD Single : A 672 LYS NZ :NH3+ -166:sc= -0.0303 (180deg=-0.283) USER MOD Single : A 675 MET CE :methyl -172:sc= -0.323 (180deg=-0.434) USER MOD Single : A 677 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -14.585 -4.592 0.257 1.00 22.21 N ATOM 79 CA GLU A 585 -14.669 -3.532 -0.711 1.00 53.03 C ATOM 80 C GLU A 585 -13.407 -2.724 -0.735 1.00 41.41 C ATOM 81 O GLU A 585 -12.886 -2.347 0.310 1.00 55.35 O ATOM 82 CB GLU A 585 -15.813 -2.612 -0.351 1.00 52.42 C ATOM 83 CG GLU A 585 -17.163 -3.272 -0.329 1.00 31.12 C ATOM 84 CD GLU A 585 -17.585 -3.746 -1.680 1.00 55.33 C ATOM 85 OE1 GLU A 585 -18.018 -2.907 -2.493 1.00 15.14 O ATOM 86 OE2 GLU A 585 -17.533 -4.956 -1.943 1.00 3.01 O ATOM 0 HA GLU A 585 -14.826 -3.982 -1.691 1.00 53.03 H new ATOM 0 HB2 GLU A 585 -15.619 -2.179 0.630 1.00 52.42 H new ATOM 0 HB3 GLU A 585 -15.838 -1.788 -1.064 1.00 52.42 H new ATOM 0 HG2 GLU A 585 -17.140 -4.117 0.359 1.00 31.12 H new ATOM 0 HG3 GLU A 585 -17.902 -2.569 0.054 1.00 31.12 H new ATOM 93 N PHE A 586 -12.930 -2.451 -1.909 1.00 50.50 N ATOM 94 CA PHE A 586 -11.779 -1.610 -2.087 1.00 71.20 C ATOM 95 C PHE A 586 -12.216 -0.211 -2.367 1.00 34.14 C ATOM 96 O PHE A 586 -12.940 0.037 -3.334 1.00 50.31 O ATOM 97 CB PHE A 586 -10.918 -2.103 -3.238 1.00 2.41 C ATOM 98 CG PHE A 586 -10.203 -3.353 -2.926 1.00 34.24 C ATOM 99 CD1 PHE A 586 -10.787 -4.586 -3.138 1.00 51.21 C ATOM 100 CD2 PHE A 586 -8.939 -3.295 -2.399 1.00 44.14 C ATOM 101 CE1 PHE A 586 -10.108 -5.738 -2.828 1.00 21.31 C ATOM 102 CE2 PHE A 586 -8.259 -4.426 -2.088 1.00 43.24 C ATOM 103 CZ PHE A 586 -8.837 -5.662 -2.298 1.00 21.04 C ATOM 0 H PHE A 586 -13.328 -2.806 -2.779 1.00 50.50 H new ATOM 0 HA PHE A 586 -11.190 -1.641 -1.170 1.00 71.20 H new ATOM 0 HB2 PHE A 586 -11.547 -2.259 -4.114 1.00 2.41 H new ATOM 0 HB3 PHE A 586 -10.194 -1.332 -3.499 1.00 2.41 H new ATOM 0 HD1 PHE A 586 -11.784 -4.644 -3.550 1.00 51.21 H new ATOM 0 HD2 PHE A 586 -8.478 -2.333 -2.229 1.00 44.14 H new ATOM 0 HE1 PHE A 586 -10.567 -6.700 -2.999 1.00 21.31 H new ATOM 0 HE2 PHE A 586 -7.263 -4.360 -1.675 1.00 43.24 H new ATOM 0 HZ PHE A 586 -8.297 -6.564 -2.049 1.00 21.04 H new ATOM 113 N LEU A 587 -11.795 0.702 -1.547 1.00 13.30 N ATOM 114 CA LEU A 587 -12.113 2.089 -1.758 1.00 23.13 C ATOM 115 C LEU A 587 -10.858 2.878 -1.870 1.00 0.01 C ATOM 116 O LEU A 587 -9.840 2.545 -1.251 1.00 22.21 O ATOM 117 CB LEU A 587 -13.036 2.710 -0.677 1.00 10.42 C ATOM 118 CG LEU A 587 -14.487 2.203 -0.593 1.00 21.42 C ATOM 119 CD1 LEU A 587 -14.583 0.804 -0.012 1.00 34.25 C ATOM 120 CD2 LEU A 587 -15.353 3.182 0.177 1.00 53.40 C ATOM 0 H LEU A 587 -11.227 0.515 -0.720 1.00 13.30 H new ATOM 0 HA LEU A 587 -12.682 2.129 -2.687 1.00 23.13 H new ATOM 0 HB2 LEU A 587 -12.569 2.549 0.295 1.00 10.42 H new ATOM 0 HB3 LEU A 587 -13.067 3.787 -0.842 1.00 10.42 H new ATOM 0 HG LEU A 587 -14.864 2.138 -1.614 1.00 21.42 H new ATOM 0 HD11 LEU A 587 -15.628 0.496 0.024 1.00 34.25 H new ATOM 0 HD12 LEU A 587 -14.022 0.111 -0.638 1.00 34.25 H new ATOM 0 HD13 LEU A 587 -14.168 0.799 0.996 1.00 34.25 H new ATOM 0 HD21 LEU A 587 -16.375 2.805 0.225 1.00 53.40 H new ATOM 0 HD22 LEU A 587 -14.961 3.297 1.188 1.00 53.40 H new ATOM 0 HD23 LEU A 587 -15.346 4.148 -0.327 1.00 53.40 H new ATOM 132 N THR A 588 -10.907 3.891 -2.656 1.00 34.15 N ATOM 133 CA THR A 588 -9.793 4.729 -2.850 1.00 12.23 C ATOM 134 C THR A 588 -10.112 6.111 -2.294 1.00 72.21 C ATOM 135 O THR A 588 -11.086 6.753 -2.699 1.00 73.43 O ATOM 136 CB THR A 588 -9.487 4.822 -4.354 1.00 14.24 C ATOM 137 OG1 THR A 588 -9.303 3.489 -4.872 1.00 31.02 O ATOM 138 CG2 THR A 588 -8.235 5.641 -4.614 1.00 75.40 C ATOM 0 H THR A 588 -11.735 4.161 -3.187 1.00 34.15 H new ATOM 0 HA THR A 588 -8.922 4.325 -2.334 1.00 12.23 H new ATOM 0 HB THR A 588 -10.322 5.316 -4.850 1.00 14.24 H new ATOM 0 HG1 THR A 588 -9.109 3.535 -5.831 1.00 31.02 H new ATOM 0 HG21 THR A 588 -8.047 5.687 -5.687 1.00 75.40 H new ATOM 0 HG22 THR A 588 -8.373 6.650 -4.226 1.00 75.40 H new ATOM 0 HG23 THR A 588 -7.385 5.174 -4.116 1.00 75.40 H new ATOM 146 N PHE A 589 -9.322 6.547 -1.366 1.00 13.20 N ATOM 147 CA PHE A 589 -9.484 7.853 -0.804 1.00 63.54 C ATOM 148 C PHE A 589 -8.419 8.755 -1.346 1.00 62.25 C ATOM 149 O PHE A 589 -7.259 8.395 -1.356 1.00 24.34 O ATOM 150 CB PHE A 589 -9.399 7.821 0.725 1.00 42.33 C ATOM 151 CG PHE A 589 -10.481 7.017 1.340 1.00 50.05 C ATOM 152 CD1 PHE A 589 -11.787 7.262 1.005 1.00 11.23 C ATOM 153 CD2 PHE A 589 -10.203 6.024 2.248 1.00 4.04 C ATOM 154 CE1 PHE A 589 -12.797 6.540 1.549 1.00 54.33 C ATOM 155 CE2 PHE A 589 -11.215 5.288 2.808 1.00 15.43 C ATOM 156 CZ PHE A 589 -12.522 5.542 2.459 1.00 43.12 C ATOM 0 H PHE A 589 -8.547 6.011 -0.976 1.00 13.20 H new ATOM 0 HA PHE A 589 -10.472 8.225 -1.077 1.00 63.54 H new ATOM 0 HB2 PHE A 589 -8.434 7.412 1.023 1.00 42.33 H new ATOM 0 HB3 PHE A 589 -9.446 8.840 1.109 1.00 42.33 H new ATOM 0 HD1 PHE A 589 -12.015 8.044 0.296 1.00 11.23 H new ATOM 0 HD2 PHE A 589 -9.178 5.822 2.523 1.00 4.04 H new ATOM 0 HE1 PHE A 589 -13.819 6.747 1.269 1.00 54.33 H new ATOM 0 HE2 PHE A 589 -10.987 4.510 3.522 1.00 15.43 H new ATOM 0 HZ PHE A 589 -13.324 4.965 2.894 1.00 43.12 H new ATOM 166 N GLU A 590 -8.797 9.886 -1.830 1.00 32.23 N ATOM 167 CA GLU A 590 -7.839 10.851 -2.281 1.00 34.21 C ATOM 168 C GLU A 590 -7.886 12.023 -1.353 1.00 50.42 C ATOM 169 O GLU A 590 -8.939 12.611 -1.124 1.00 71.33 O ATOM 170 CB GLU A 590 -8.072 11.243 -3.720 1.00 75.52 C ATOM 171 CG GLU A 590 -7.940 10.072 -4.679 1.00 33.43 C ATOM 172 CD GLU A 590 -8.183 10.463 -6.099 1.00 24.14 C ATOM 173 OE1 GLU A 590 -9.350 10.736 -6.443 1.00 32.41 O ATOM 174 OE2 GLU A 590 -7.213 10.517 -6.891 1.00 74.23 O ATOM 0 H GLU A 590 -9.771 10.173 -1.927 1.00 32.23 H new ATOM 0 HA GLU A 590 -6.839 10.418 -2.260 1.00 34.21 H new ATOM 0 HB2 GLU A 590 -9.068 11.676 -3.817 1.00 75.52 H new ATOM 0 HB3 GLU A 590 -7.359 12.018 -4.000 1.00 75.52 H new ATOM 0 HG2 GLU A 590 -6.941 9.645 -4.589 1.00 33.43 H new ATOM 0 HG3 GLU A 590 -8.647 9.293 -4.395 1.00 33.43 H new ATOM 181 N VAL A 591 -6.773 12.327 -0.801 1.00 53.14 N ATOM 182 CA VAL A 591 -6.666 13.303 0.234 1.00 31.34 C ATOM 183 C VAL A 591 -5.712 14.386 -0.175 1.00 21.10 C ATOM 184 O VAL A 591 -4.546 14.124 -0.402 1.00 71.41 O ATOM 185 CB VAL A 591 -6.117 12.620 1.517 1.00 75.40 C ATOM 186 CG1 VAL A 591 -5.960 13.613 2.653 1.00 23.30 C ATOM 187 CG2 VAL A 591 -7.012 11.477 1.935 1.00 73.30 C ATOM 0 H VAL A 591 -5.884 11.898 -1.057 1.00 53.14 H new ATOM 0 HA VAL A 591 -7.649 13.735 0.419 1.00 31.34 H new ATOM 0 HB VAL A 591 -5.129 12.224 1.283 1.00 75.40 H new ATOM 0 HG11 VAL A 591 -5.574 13.100 3.534 1.00 23.30 H new ATOM 0 HG12 VAL A 591 -5.265 14.398 2.356 1.00 23.30 H new ATOM 0 HG13 VAL A 591 -6.929 14.055 2.886 1.00 23.30 H new ATOM 0 HG21 VAL A 591 -6.611 11.011 2.835 1.00 73.30 H new ATOM 0 HG22 VAL A 591 -8.014 11.855 2.138 1.00 73.30 H new ATOM 0 HG23 VAL A 591 -7.058 10.739 1.134 1.00 73.30 H new ATOM 197 N PRO A 592 -6.170 15.600 -0.305 1.00 14.31 N ATOM 198 CA PRO A 592 -5.293 16.696 -0.568 1.00 75.30 C ATOM 199 C PRO A 592 -4.582 17.097 0.709 1.00 75.42 C ATOM 200 O PRO A 592 -5.169 17.051 1.805 1.00 62.33 O ATOM 201 CB PRO A 592 -6.223 17.806 -1.031 1.00 20.13 C ATOM 202 CG PRO A 592 -7.519 17.501 -0.396 1.00 10.31 C ATOM 203 CD PRO A 592 -7.581 16.010 -0.221 1.00 45.44 C ATOM 0 HA PRO A 592 -4.522 16.465 -1.303 1.00 75.30 H new ATOM 0 HB2 PRO A 592 -5.853 18.785 -0.725 1.00 20.13 H new ATOM 0 HB3 PRO A 592 -6.309 17.823 -2.117 1.00 20.13 H new ATOM 0 HG2 PRO A 592 -7.606 18.006 0.566 1.00 10.31 H new ATOM 0 HG3 PRO A 592 -8.344 17.851 -1.016 1.00 10.31 H new ATOM 0 HD2 PRO A 592 -8.023 15.735 0.737 1.00 45.44 H new ATOM 0 HD3 PRO A 592 -8.184 15.539 -0.997 1.00 45.44 H new ATOM 211 N LEU A 593 -3.343 17.459 0.596 1.00 74.11 N ATOM 212 CA LEU A 593 -2.597 17.892 1.752 1.00 22.14 C ATOM 213 C LEU A 593 -2.972 19.310 2.087 1.00 65.52 C ATOM 214 O LEU A 593 -2.301 20.257 1.699 1.00 53.13 O ATOM 215 CB LEU A 593 -1.057 17.727 1.607 1.00 33.44 C ATOM 216 CG LEU A 593 -0.475 16.289 1.586 1.00 53.01 C ATOM 217 CD1 LEU A 593 -0.843 15.522 2.847 1.00 35.21 C ATOM 218 CD2 LEU A 593 -0.885 15.518 0.341 1.00 21.04 C ATOM 0 H LEU A 593 -2.821 17.466 -0.280 1.00 74.11 H new ATOM 0 HA LEU A 593 -2.871 17.234 2.577 1.00 22.14 H new ATOM 0 HB2 LEU A 593 -0.754 18.223 0.685 1.00 33.44 H new ATOM 0 HB3 LEU A 593 -0.585 18.266 2.429 1.00 33.44 H new ATOM 0 HG LEU A 593 0.610 16.392 1.557 1.00 53.01 H new ATOM 0 HD11 LEU A 593 -0.419 14.519 2.799 1.00 35.21 H new ATOM 0 HD12 LEU A 593 -0.446 16.043 3.718 1.00 35.21 H new ATOM 0 HD13 LEU A 593 -1.928 15.454 2.928 1.00 35.21 H new ATOM 0 HD21 LEU A 593 -0.453 14.518 0.374 1.00 21.04 H new ATOM 0 HD22 LEU A 593 -1.972 15.442 0.301 1.00 21.04 H new ATOM 0 HD23 LEU A 593 -0.525 16.040 -0.545 1.00 21.04 H new ATOM 230 N ASN A 594 -4.104 19.445 2.718 1.00 12.40 N ATOM 231 CA ASN A 594 -4.610 20.770 3.108 1.00 75.53 C ATOM 232 C ASN A 594 -4.110 21.154 4.481 1.00 63.50 C ATOM 233 O ASN A 594 -3.018 21.698 4.617 1.00 31.50 O ATOM 234 CB ASN A 594 -6.144 20.865 3.059 1.00 51.52 C ATOM 235 CG ASN A 594 -6.761 20.641 1.690 1.00 62.34 C ATOM 236 OD1 ASN A 594 -7.880 20.151 1.588 1.00 63.43 O ATOM 237 ND2 ASN A 594 -6.069 21.001 0.644 1.00 64.02 N ATOM 0 H ASN A 594 -4.708 18.666 2.982 1.00 12.40 H new ATOM 0 HA ASN A 594 -4.222 21.474 2.372 1.00 75.53 H new ATOM 0 HB2 ASN A 594 -6.560 20.133 3.752 1.00 51.52 H new ATOM 0 HB3 ASN A 594 -6.443 21.850 3.418 1.00 51.52 H new ATOM 0 HD21 ASN A 594 -6.457 20.877 -0.291 1.00 64.02 H new ATOM 0 HD22 ASN A 594 -5.140 21.406 0.762 1.00 64.02 H new ATOM 244 N ASP A 595 -4.893 20.851 5.503 1.00 14.42 N ATOM 245 CA ASP A 595 -4.475 21.076 6.867 1.00 42.44 C ATOM 246 C ASP A 595 -4.328 19.755 7.511 1.00 63.31 C ATOM 247 O ASP A 595 -5.302 19.158 7.985 1.00 35.03 O ATOM 248 CB ASP A 595 -5.452 21.931 7.665 1.00 53.15 C ATOM 249 CG ASP A 595 -4.956 22.188 9.076 1.00 53.41 C ATOM 250 OD1 ASP A 595 -4.198 23.163 9.272 1.00 30.33 O ATOM 251 OD2 ASP A 595 -5.306 21.425 10.013 1.00 73.13 O ATOM 0 H ASP A 595 -5.825 20.447 5.408 1.00 14.42 H new ATOM 0 HA ASP A 595 -3.536 21.629 6.850 1.00 42.44 H new ATOM 0 HB2 ASP A 595 -5.603 22.882 7.154 1.00 53.15 H new ATOM 0 HB3 ASP A 595 -6.421 21.433 7.706 1.00 53.15 H new ATOM 256 N SER A 596 -3.151 19.263 7.465 1.00 14.42 N ATOM 257 CA SER A 596 -2.872 17.968 7.955 1.00 2.42 C ATOM 258 C SER A 596 -1.383 17.959 8.263 1.00 75.11 C ATOM 259 O SER A 596 -0.651 17.017 7.997 1.00 40.21 O ATOM 260 CB SER A 596 -3.225 17.006 6.840 1.00 31.52 C ATOM 261 OG SER A 596 -3.721 15.777 7.340 1.00 34.22 O ATOM 0 H SER A 596 -2.343 19.753 7.082 1.00 14.42 H new ATOM 0 HA SER A 596 -3.429 17.688 8.849 1.00 2.42 H new ATOM 0 HB2 SER A 596 -3.972 17.462 6.190 1.00 31.52 H new ATOM 0 HB3 SER A 596 -2.342 16.819 6.228 1.00 31.52 H new ATOM 0 HG SER A 596 -3.248 15.545 8.166 1.00 34.22 H new ATOM 267 N GLY A 597 -0.968 19.044 8.823 1.00 55.40 N ATOM 268 CA GLY A 597 0.402 19.223 9.222 1.00 53.42 C ATOM 269 C GLY A 597 0.659 18.621 10.574 1.00 11.45 C ATOM 270 O GLY A 597 1.773 18.189 10.864 1.00 50.43 O ATOM 0 H GLY A 597 -1.569 19.844 9.022 1.00 55.40 H new ATOM 0 HA2 GLY A 597 1.061 18.763 8.485 1.00 53.42 H new ATOM 0 HA3 GLY A 597 0.641 20.286 9.243 1.00 53.42 H new ATOM 274 N SER A 598 -0.377 18.583 11.402 1.00 71.14 N ATOM 275 CA SER A 598 -0.273 17.994 12.723 1.00 21.24 C ATOM 276 C SER A 598 -0.166 16.479 12.618 1.00 11.52 C ATOM 277 O SER A 598 0.506 15.811 13.418 1.00 14.44 O ATOM 278 CB SER A 598 -1.453 18.434 13.592 1.00 42.04 C ATOM 279 OG SER A 598 -2.694 18.145 12.951 1.00 50.03 O ATOM 0 H SER A 598 -1.300 18.955 11.178 1.00 71.14 H new ATOM 0 HA SER A 598 0.636 18.349 13.208 1.00 21.24 H new ATOM 0 HB2 SER A 598 -1.410 17.926 14.555 1.00 42.04 H new ATOM 0 HB3 SER A 598 -1.383 19.503 13.793 1.00 42.04 H new ATOM 0 HG SER A 598 -3.434 18.433 13.525 1.00 50.03 H new ATOM 285 N ALA A 599 -0.819 15.972 11.625 1.00 33.41 N ATOM 286 CA ALA A 599 -0.791 14.591 11.269 1.00 22.41 C ATOM 287 C ALA A 599 -1.014 14.521 9.783 1.00 60.03 C ATOM 288 O ALA A 599 -2.056 14.986 9.307 1.00 11.34 O ATOM 289 CB ALA A 599 -1.856 13.816 12.023 1.00 23.42 C ATOM 0 H ALA A 599 -1.412 16.533 11.013 1.00 33.41 H new ATOM 0 HA ALA A 599 0.165 14.139 11.534 1.00 22.41 H new ATOM 0 HB1 ALA A 599 -1.815 12.766 11.734 1.00 23.42 H new ATOM 0 HB2 ALA A 599 -1.680 13.905 13.095 1.00 23.42 H new ATOM 0 HB3 ALA A 599 -2.839 14.220 11.782 1.00 23.42 H new ATOM 295 N GLY A 600 -0.037 13.958 9.067 1.00 30.11 N ATOM 296 CA GLY A 600 -0.012 13.931 7.589 1.00 60.14 C ATOM 297 C GLY A 600 -1.333 13.570 6.971 1.00 20.44 C ATOM 298 O GLY A 600 -1.794 14.230 6.046 1.00 24.21 O ATOM 0 H GLY A 600 0.769 13.502 9.494 1.00 30.11 H new ATOM 0 HA2 GLY A 600 0.296 14.910 7.221 1.00 60.14 H new ATOM 0 HA3 GLY A 600 0.741 13.215 7.260 1.00 60.14 H new ATOM 302 N LEU A 601 -1.916 12.514 7.447 1.00 65.14 N ATOM 303 CA LEU A 601 -3.262 12.152 7.074 1.00 61.22 C ATOM 304 C LEU A 601 -4.115 12.052 8.293 1.00 44.21 C ATOM 305 O LEU A 601 -5.331 12.333 8.261 1.00 11.52 O ATOM 306 CB LEU A 601 -3.326 10.858 6.267 1.00 23.30 C ATOM 307 CG LEU A 601 -2.947 10.956 4.786 1.00 61.43 C ATOM 308 CD1 LEU A 601 -1.494 11.249 4.566 1.00 5.23 C ATOM 309 CD2 LEU A 601 -3.370 9.727 4.055 1.00 4.21 C ATOM 0 H LEU A 601 -1.477 11.872 8.107 1.00 65.14 H new ATOM 0 HA LEU A 601 -3.641 12.941 6.424 1.00 61.22 H new ATOM 0 HB2 LEU A 601 -2.669 10.128 6.740 1.00 23.30 H new ATOM 0 HB3 LEU A 601 -4.340 10.464 6.334 1.00 23.30 H new ATOM 0 HG LEU A 601 -3.488 11.810 4.379 1.00 61.43 H new ATOM 0 HD11 LEU A 601 -1.292 11.305 3.496 1.00 5.23 H new ATOM 0 HD12 LEU A 601 -1.240 12.200 5.034 1.00 5.23 H new ATOM 0 HD13 LEU A 601 -0.892 10.455 5.007 1.00 5.23 H new ATOM 0 HD21 LEU A 601 -3.092 9.815 3.005 1.00 4.21 H new ATOM 0 HD22 LEU A 601 -2.877 8.857 4.489 1.00 4.21 H new ATOM 0 HD23 LEU A 601 -4.451 9.609 4.136 1.00 4.21 H new ATOM 321 N GLY A 602 -3.493 11.642 9.354 1.00 71.35 N ATOM 322 CA GLY A 602 -4.133 11.551 10.596 1.00 31.41 C ATOM 323 C GLY A 602 -4.696 10.197 10.817 1.00 53.22 C ATOM 324 O GLY A 602 -5.820 10.046 11.294 1.00 34.31 O ATOM 0 H GLY A 602 -2.513 11.361 9.365 1.00 71.35 H new ATOM 0 HA2 GLY A 602 -3.424 11.786 11.390 1.00 31.41 H new ATOM 0 HA3 GLY A 602 -4.931 12.292 10.651 1.00 31.41 H new ATOM 328 N VAL A 603 -3.956 9.195 10.443 1.00 64.53 N ATOM 329 CA VAL A 603 -4.361 7.861 10.741 1.00 55.15 C ATOM 330 C VAL A 603 -3.192 7.193 11.423 1.00 45.24 C ATOM 331 O VAL A 603 -2.043 7.563 11.198 1.00 34.54 O ATOM 332 CB VAL A 603 -4.707 7.046 9.445 1.00 20.13 C ATOM 333 CG1 VAL A 603 -5.391 5.740 9.778 1.00 11.13 C ATOM 334 CG2 VAL A 603 -5.513 7.857 8.443 1.00 2.12 C ATOM 0 H VAL A 603 -3.076 9.279 9.935 1.00 64.53 H new ATOM 0 HA VAL A 603 -5.256 7.889 11.363 1.00 55.15 H new ATOM 0 HB VAL A 603 -3.758 6.811 8.963 1.00 20.13 H new ATOM 0 HG11 VAL A 603 -5.616 5.202 8.857 1.00 11.13 H new ATOM 0 HG12 VAL A 603 -4.734 5.134 10.401 1.00 11.13 H new ATOM 0 HG13 VAL A 603 -6.317 5.941 10.316 1.00 11.13 H new ATOM 0 HG21 VAL A 603 -5.725 7.245 7.566 1.00 2.12 H new ATOM 0 HG22 VAL A 603 -6.451 8.172 8.900 1.00 2.12 H new ATOM 0 HG23 VAL A 603 -4.942 8.736 8.143 1.00 2.12 H new ATOM 344 N SER A 604 -3.458 6.252 12.253 1.00 64.42 N ATOM 345 CA SER A 604 -2.427 5.481 12.819 1.00 71.20 C ATOM 346 C SER A 604 -2.614 4.074 12.369 1.00 2.44 C ATOM 347 O SER A 604 -3.736 3.541 12.394 1.00 13.13 O ATOM 348 CB SER A 604 -2.442 5.561 14.338 1.00 22.14 C ATOM 349 OG SER A 604 -2.315 6.905 14.776 1.00 1.20 O ATOM 0 H SER A 604 -4.399 5.999 12.556 1.00 64.42 H new ATOM 0 HA SER A 604 -1.460 5.864 12.492 1.00 71.20 H new ATOM 0 HB2 SER A 604 -3.371 5.136 14.719 1.00 22.14 H new ATOM 0 HB3 SER A 604 -1.627 4.963 14.746 1.00 22.14 H new ATOM 0 HG SER A 604 -2.329 6.933 15.756 1.00 1.20 H new ATOM 355 N VAL A 605 -1.567 3.482 11.946 1.00 60.11 N ATOM 356 CA VAL A 605 -1.584 2.136 11.509 1.00 11.43 C ATOM 357 C VAL A 605 -0.570 1.305 12.218 1.00 44.34 C ATOM 358 O VAL A 605 0.331 1.819 12.848 1.00 35.40 O ATOM 359 CB VAL A 605 -1.345 1.985 10.015 1.00 54.42 C ATOM 360 CG1 VAL A 605 -2.583 2.324 9.219 1.00 12.34 C ATOM 361 CG2 VAL A 605 -0.179 2.846 9.536 1.00 52.42 C ATOM 0 H VAL A 605 -0.650 3.926 11.891 1.00 60.11 H new ATOM 0 HA VAL A 605 -2.590 1.788 11.744 1.00 11.43 H new ATOM 0 HB VAL A 605 -1.094 0.938 9.848 1.00 54.42 H new ATOM 0 HG11 VAL A 605 -2.376 2.205 8.156 1.00 12.34 H new ATOM 0 HG12 VAL A 605 -3.395 1.656 9.507 1.00 12.34 H new ATOM 0 HG13 VAL A 605 -2.873 3.356 9.419 1.00 12.34 H new ATOM 0 HG21 VAL A 605 -0.042 2.709 8.463 1.00 52.42 H new ATOM 0 HG22 VAL A 605 -0.392 3.895 9.743 1.00 52.42 H new ATOM 0 HG23 VAL A 605 0.731 2.550 10.059 1.00 52.42 H new ATOM 371 N LYS A 606 -0.760 0.043 12.151 1.00 5.44 N ATOM 372 CA LYS A 606 0.174 -0.925 12.665 1.00 35.44 C ATOM 373 C LYS A 606 0.060 -2.191 11.854 1.00 62.32 C ATOM 374 O LYS A 606 -0.992 -2.450 11.258 1.00 60.45 O ATOM 375 CB LYS A 606 0.051 -1.222 14.174 1.00 53.33 C ATOM 376 CG LYS A 606 -1.164 -2.007 14.612 1.00 31.54 C ATOM 377 CD LYS A 606 -0.972 -2.444 16.049 1.00 61.14 C ATOM 378 CE LYS A 606 -2.091 -3.330 16.538 1.00 62.43 C ATOM 379 NZ LYS A 606 -1.815 -3.843 17.896 1.00 43.55 N ATOM 0 H LYS A 606 -1.589 -0.374 11.728 1.00 5.44 H new ATOM 0 HA LYS A 606 1.164 -0.482 12.562 1.00 35.44 H new ATOM 0 HB2 LYS A 606 0.941 -1.768 14.487 1.00 53.33 H new ATOM 0 HB3 LYS A 606 0.055 -0.273 14.710 1.00 53.33 H new ATOM 0 HG2 LYS A 606 -2.061 -1.395 14.521 1.00 31.54 H new ATOM 0 HG3 LYS A 606 -1.304 -2.876 13.969 1.00 31.54 H new ATOM 0 HD2 LYS A 606 -0.025 -2.976 16.140 1.00 61.14 H new ATOM 0 HD3 LYS A 606 -0.905 -1.563 16.687 1.00 61.14 H new ATOM 0 HE2 LYS A 606 -3.026 -2.770 16.542 1.00 62.43 H new ATOM 0 HE3 LYS A 606 -2.223 -4.166 15.851 1.00 62.43 H new ATOM 0 HZ1 LYS A 606 -2.602 -4.449 18.205 1.00 43.55 H new ATOM 0 HZ2 LYS A 606 -0.935 -4.397 17.886 1.00 43.55 H new ATOM 0 HZ3 LYS A 606 -1.714 -3.045 18.555 1.00 43.55 H new ATOM 393 N GLY A 607 1.096 -2.961 11.799 1.00 52.13 N ATOM 394 CA GLY A 607 1.008 -4.177 11.043 1.00 20.24 C ATOM 395 C GLY A 607 0.863 -5.365 11.929 1.00 35.15 C ATOM 396 O GLY A 607 1.620 -5.550 12.877 1.00 2.44 O ATOM 0 H GLY A 607 1.992 -2.783 12.253 1.00 52.13 H new ATOM 0 HA2 GLY A 607 0.157 -4.123 10.364 1.00 20.24 H new ATOM 0 HA3 GLY A 607 1.901 -4.289 10.427 1.00 20.24 H new ATOM 400 N ASN A 608 -0.116 -6.168 11.619 1.00 70.30 N ATOM 401 CA ASN A 608 -0.445 -7.327 12.408 1.00 52.41 C ATOM 402 C ASN A 608 0.236 -8.545 11.802 1.00 32.25 C ATOM 403 O ASN A 608 0.353 -8.672 10.570 1.00 60.13 O ATOM 404 CB ASN A 608 -1.988 -7.514 12.450 1.00 33.42 C ATOM 405 CG ASN A 608 -2.489 -8.621 13.403 1.00 42.03 C ATOM 406 OD1 ASN A 608 -1.823 -9.607 13.655 1.00 34.44 O ATOM 407 ND2 ASN A 608 -3.675 -8.450 13.921 1.00 71.11 N ATOM 0 H ASN A 608 -0.715 -6.037 10.804 1.00 70.30 H new ATOM 0 HA ASN A 608 -0.093 -7.198 13.431 1.00 52.41 H new ATOM 0 HB2 ASN A 608 -2.445 -6.569 12.744 1.00 33.42 H new ATOM 0 HB3 ASN A 608 -2.339 -7.738 11.442 1.00 33.42 H new ATOM 0 HD21 ASN A 608 -4.062 -9.152 14.552 1.00 71.11 H new ATOM 0 HD22 ASN A 608 -4.215 -7.615 13.695 1.00 71.11 H new ATOM 414 N ARG A 609 0.705 -9.402 12.643 1.00 11.40 N ATOM 415 CA ARG A 609 1.346 -10.601 12.242 1.00 22.23 C ATOM 416 C ARG A 609 0.794 -11.713 13.070 1.00 71.25 C ATOM 417 O ARG A 609 0.623 -11.561 14.278 1.00 55.23 O ATOM 418 CB ARG A 609 2.858 -10.504 12.434 1.00 21.23 C ATOM 419 CG ARG A 609 3.639 -11.750 12.033 1.00 43.33 C ATOM 420 CD ARG A 609 5.107 -11.590 12.373 1.00 32.53 C ATOM 421 NE ARG A 609 5.299 -11.370 13.815 1.00 4.10 N ATOM 422 CZ ARG A 609 6.398 -10.845 14.380 1.00 3.44 C ATOM 423 NH1 ARG A 609 7.418 -10.453 13.630 1.00 72.44 N ATOM 424 NH2 ARG A 609 6.452 -10.699 15.700 1.00 12.41 N ATOM 0 H ARG A 609 0.650 -9.282 13.654 1.00 11.40 H new ATOM 0 HA ARG A 609 1.161 -10.781 11.183 1.00 22.23 H new ATOM 0 HB2 ARG A 609 3.229 -9.659 11.855 1.00 21.23 H new ATOM 0 HB3 ARG A 609 3.063 -10.287 13.482 1.00 21.23 H new ATOM 0 HG2 ARG A 609 3.234 -12.621 12.547 1.00 43.33 H new ATOM 0 HG3 ARG A 609 3.525 -11.929 10.964 1.00 43.33 H new ATOM 0 HD2 ARG A 609 5.654 -12.480 12.062 1.00 32.53 H new ATOM 0 HD3 ARG A 609 5.522 -10.750 11.816 1.00 32.53 H new ATOM 0 HE ARG A 609 4.535 -11.638 14.436 1.00 4.10 H new ATOM 0 HH11 ARG A 609 7.372 -10.549 12.616 1.00 72.44 H new ATOM 0 HH12 ARG A 609 8.249 -10.055 14.067 1.00 72.44 H new ATOM 0 HH21 ARG A 609 5.661 -10.985 16.278 1.00 12.41 H new ATOM 0 HH22 ARG A 609 7.284 -10.301 16.135 1.00 12.41 H new ATOM 438 N SER A 610 0.485 -12.788 12.439 1.00 25.10 N ATOM 439 CA SER A 610 0.028 -13.953 13.127 1.00 33.43 C ATOM 440 C SER A 610 1.199 -14.526 13.947 1.00 65.45 C ATOM 441 O SER A 610 2.279 -14.762 13.399 1.00 60.22 O ATOM 442 CB SER A 610 -0.438 -14.955 12.104 1.00 54.42 C ATOM 443 OG SER A 610 -1.410 -14.388 11.247 1.00 14.25 O ATOM 0 H SER A 610 0.540 -12.891 11.426 1.00 25.10 H new ATOM 0 HA SER A 610 -0.796 -13.716 13.799 1.00 33.43 H new ATOM 0 HB2 SER A 610 0.412 -15.303 11.517 1.00 54.42 H new ATOM 0 HB3 SER A 610 -0.856 -15.827 12.607 1.00 54.42 H new ATOM 0 HG SER A 610 -1.697 -15.056 10.590 1.00 14.25 H new ATOM 518 N ALA A 615 2.958 -15.654 9.866 1.00 4.42 N ATOM 519 CA ALA A 615 2.686 -14.955 8.636 1.00 62.03 C ATOM 520 C ALA A 615 2.082 -13.613 8.972 1.00 13.25 C ATOM 521 O ALA A 615 1.415 -13.478 9.986 1.00 0.34 O ATOM 522 CB ALA A 615 1.749 -15.764 7.758 1.00 62.12 C ATOM 0 HA ALA A 615 3.612 -14.811 8.080 1.00 62.03 H new ATOM 0 HB1 ALA A 615 1.556 -15.219 6.834 1.00 62.12 H new ATOM 0 HB2 ALA A 615 2.208 -16.724 7.524 1.00 62.12 H new ATOM 0 HB3 ALA A 615 0.809 -15.930 8.285 1.00 62.12 H new ATOM 528 N ASP A 616 2.322 -12.623 8.161 1.00 14.10 N ATOM 529 CA ASP A 616 1.795 -11.310 8.423 1.00 73.51 C ATOM 530 C ASP A 616 0.395 -11.208 7.893 1.00 34.10 C ATOM 531 O ASP A 616 0.027 -11.908 6.947 1.00 42.13 O ATOM 532 CB ASP A 616 2.672 -10.203 7.814 1.00 72.01 C ATOM 533 CG ASP A 616 2.753 -10.255 6.302 1.00 51.41 C ATOM 534 OD1 ASP A 616 3.614 -10.992 5.777 1.00 31.35 O ATOM 535 OD2 ASP A 616 1.975 -9.567 5.627 1.00 40.41 O ATOM 0 H ASP A 616 2.880 -12.698 7.311 1.00 14.10 H new ATOM 0 HA ASP A 616 1.791 -11.165 9.503 1.00 73.51 H new ATOM 0 HB2 ASP A 616 2.278 -9.232 8.115 1.00 72.01 H new ATOM 0 HB3 ASP A 616 3.678 -10.280 8.226 1.00 72.01 H new ATOM 540 N LEU A 617 -0.395 -10.388 8.508 1.00 55.44 N ATOM 541 CA LEU A 617 -1.738 -10.159 8.043 1.00 12.40 C ATOM 542 C LEU A 617 -1.763 -8.872 7.250 1.00 5.12 C ATOM 543 O LEU A 617 -2.733 -8.564 6.559 1.00 70.44 O ATOM 544 CB LEU A 617 -2.724 -10.097 9.220 1.00 11.00 C ATOM 545 CG LEU A 617 -2.855 -11.368 10.070 1.00 31.52 C ATOM 546 CD1 LEU A 617 -3.864 -11.157 11.184 1.00 22.21 C ATOM 547 CD2 LEU A 617 -3.259 -12.557 9.207 1.00 2.43 C ATOM 0 H LEU A 617 -0.137 -9.859 9.341 1.00 55.44 H new ATOM 0 HA LEU A 617 -2.048 -10.987 7.405 1.00 12.40 H new ATOM 0 HB2 LEU A 617 -2.424 -9.278 9.874 1.00 11.00 H new ATOM 0 HB3 LEU A 617 -3.709 -9.846 8.827 1.00 11.00 H new ATOM 0 HG LEU A 617 -1.883 -11.583 10.514 1.00 31.52 H new ATOM 0 HD11 LEU A 617 -3.946 -12.067 11.778 1.00 22.21 H new ATOM 0 HD12 LEU A 617 -3.536 -10.336 11.821 1.00 22.21 H new ATOM 0 HD13 LEU A 617 -4.836 -10.916 10.754 1.00 22.21 H new ATOM 0 HD21 LEU A 617 -3.346 -13.447 9.831 1.00 2.43 H new ATOM 0 HD22 LEU A 617 -4.218 -12.352 8.732 1.00 2.43 H new ATOM 0 HD23 LEU A 617 -2.502 -12.724 8.440 1.00 2.43 H new ATOM 559 N GLY A 618 -0.680 -8.144 7.340 1.00 73.20 N ATOM 560 CA GLY A 618 -0.566 -6.881 6.637 1.00 74.10 C ATOM 561 C GLY A 618 -0.667 -5.682 7.566 1.00 74.30 C ATOM 562 O GLY A 618 -0.589 -5.825 8.794 1.00 0.13 O ATOM 0 H GLY A 618 0.139 -8.399 7.892 1.00 73.20 H new ATOM 0 HA2 GLY A 618 0.388 -6.848 6.110 1.00 74.10 H new ATOM 0 HA3 GLY A 618 -1.350 -6.818 5.882 1.00 74.10 H new ATOM 566 N ILE A 619 -0.878 -4.503 6.985 1.00 11.45 N ATOM 567 CA ILE A 619 -0.918 -3.257 7.740 1.00 65.03 C ATOM 568 C ILE A 619 -2.358 -2.821 7.905 1.00 54.20 C ATOM 569 O ILE A 619 -3.101 -2.719 6.915 1.00 34.12 O ATOM 570 CB ILE A 619 -0.124 -2.135 7.001 1.00 44.24 C ATOM 571 CG1 ILE A 619 1.323 -2.587 6.736 1.00 61.54 C ATOM 572 CG2 ILE A 619 -0.129 -0.837 7.810 1.00 71.51 C ATOM 573 CD1 ILE A 619 2.115 -2.906 7.984 1.00 60.05 C ATOM 0 H ILE A 619 -1.025 -4.387 5.982 1.00 11.45 H new ATOM 0 HA ILE A 619 -0.460 -3.425 8.715 1.00 65.03 H new ATOM 0 HB ILE A 619 -0.616 -1.947 6.047 1.00 44.24 H new ATOM 0 HG12 ILE A 619 1.304 -3.470 6.097 1.00 61.54 H new ATOM 0 HG13 ILE A 619 1.840 -1.803 6.182 1.00 61.54 H new ATOM 0 HG21 ILE A 619 0.431 -0.071 7.273 1.00 71.51 H new ATOM 0 HG22 ILE A 619 -1.156 -0.502 7.954 1.00 71.51 H new ATOM 0 HG23 ILE A 619 0.335 -1.012 8.781 1.00 71.51 H new ATOM 0 HD11 ILE A 619 3.122 -3.216 7.706 1.00 60.05 H new ATOM 0 HD12 ILE A 619 2.169 -2.020 8.617 1.00 60.05 H new ATOM 0 HD13 ILE A 619 1.625 -3.712 8.530 1.00 60.05 H new ATOM 585 N PHE A 620 -2.755 -2.574 9.125 1.00 2.14 N ATOM 586 CA PHE A 620 -4.117 -2.209 9.421 1.00 73.23 C ATOM 587 C PHE A 620 -4.161 -0.956 10.242 1.00 65.30 C ATOM 588 O PHE A 620 -3.207 -0.628 10.955 1.00 63.23 O ATOM 589 CB PHE A 620 -4.814 -3.305 10.215 1.00 23.20 C ATOM 590 CG PHE A 620 -4.902 -4.629 9.539 1.00 53.44 C ATOM 591 CD1 PHE A 620 -3.887 -5.564 9.690 1.00 74.40 C ATOM 592 CD2 PHE A 620 -6.015 -4.961 8.772 1.00 71.41 C ATOM 593 CE1 PHE A 620 -3.984 -6.795 9.096 1.00 43.34 C ATOM 594 CE2 PHE A 620 -6.105 -6.191 8.173 1.00 70.13 C ATOM 595 CZ PHE A 620 -5.092 -7.110 8.336 1.00 74.35 C ATOM 0 H PHE A 620 -2.145 -2.620 9.941 1.00 2.14 H new ATOM 0 HA PHE A 620 -4.623 -2.058 8.467 1.00 73.23 H new ATOM 0 HB2 PHE A 620 -4.289 -3.434 11.161 1.00 23.20 H new ATOM 0 HB3 PHE A 620 -5.824 -2.971 10.454 1.00 23.20 H new ATOM 0 HD1 PHE A 620 -3.016 -5.320 10.279 1.00 74.40 H new ATOM 0 HD2 PHE A 620 -6.814 -4.245 8.648 1.00 71.41 H new ATOM 0 HE1 PHE A 620 -3.193 -7.519 9.223 1.00 43.34 H new ATOM 0 HE2 PHE A 620 -6.969 -6.439 7.574 1.00 70.13 H new ATOM 0 HZ PHE A 620 -5.165 -8.080 7.867 1.00 74.35 H new ATOM 605 N VAL A 621 -5.246 -0.249 10.129 1.00 33.55 N ATOM 606 CA VAL A 621 -5.485 0.910 10.946 1.00 52.23 C ATOM 607 C VAL A 621 -5.712 0.489 12.397 1.00 54.10 C ATOM 608 O VAL A 621 -6.368 -0.501 12.675 1.00 0.25 O ATOM 609 CB VAL A 621 -6.706 1.713 10.438 1.00 55.21 C ATOM 610 CG1 VAL A 621 -6.945 2.946 11.293 1.00 5.41 C ATOM 611 CG2 VAL A 621 -6.513 2.109 8.989 1.00 41.42 C ATOM 0 H VAL A 621 -5.994 -0.458 9.467 1.00 33.55 H new ATOM 0 HA VAL A 621 -4.606 1.551 10.885 1.00 52.23 H new ATOM 0 HB VAL A 621 -7.584 1.072 10.514 1.00 55.21 H new ATOM 0 HG11 VAL A 621 -7.809 3.491 10.913 1.00 5.41 H new ATOM 0 HG12 VAL A 621 -7.132 2.644 12.323 1.00 5.41 H new ATOM 0 HG13 VAL A 621 -6.066 3.590 11.257 1.00 5.41 H new ATOM 0 HG21 VAL A 621 -7.381 2.673 8.647 1.00 41.42 H new ATOM 0 HG22 VAL A 621 -5.619 2.726 8.896 1.00 41.42 H new ATOM 0 HG23 VAL A 621 -6.400 1.213 8.379 1.00 41.42 H new ATOM 621 N LYS A 622 -5.148 1.219 13.284 1.00 35.12 N ATOM 622 CA LYS A 622 -5.318 0.988 14.703 1.00 10.42 C ATOM 623 C LYS A 622 -6.197 2.068 15.311 1.00 71.03 C ATOM 624 O LYS A 622 -7.103 1.782 16.079 1.00 32.53 O ATOM 625 CB LYS A 622 -3.959 0.939 15.400 1.00 53.32 C ATOM 626 CG LYS A 622 -2.997 1.938 14.811 1.00 41.32 C ATOM 627 CD LYS A 622 -1.786 2.206 15.636 1.00 5.54 C ATOM 628 CE LYS A 622 -2.190 2.982 16.907 1.00 74.54 C ATOM 629 NZ LYS A 622 -1.056 3.417 17.732 1.00 31.21 N ATOM 0 H LYS A 622 -4.543 2.010 13.062 1.00 35.12 H new ATOM 0 HA LYS A 622 -5.810 0.026 14.845 1.00 10.42 H new ATOM 0 HB2 LYS A 622 -4.088 1.140 16.464 1.00 53.32 H new ATOM 0 HB3 LYS A 622 -3.541 -0.064 15.314 1.00 53.32 H new ATOM 0 HG2 LYS A 622 -2.679 1.580 13.832 1.00 41.32 H new ATOM 0 HG3 LYS A 622 -3.525 2.878 14.651 1.00 41.32 H new ATOM 0 HD2 LYS A 622 -1.303 1.267 15.908 1.00 5.54 H new ATOM 0 HD3 LYS A 622 -1.061 2.782 15.061 1.00 5.54 H new ATOM 0 HE2 LYS A 622 -2.770 3.858 16.616 1.00 74.54 H new ATOM 0 HE3 LYS A 622 -2.844 2.353 17.511 1.00 74.54 H new ATOM 0 HZ1 LYS A 622 -1.259 4.354 18.135 1.00 31.21 H new ATOM 0 HZ2 LYS A 622 -0.905 2.734 18.502 1.00 31.21 H new ATOM 0 HZ3 LYS A 622 -0.200 3.471 17.144 1.00 31.21 H new ATOM 643 N SER A 623 -5.923 3.301 14.961 1.00 33.42 N ATOM 644 CA SER A 623 -6.662 4.409 15.473 1.00 5.20 C ATOM 645 C SER A 623 -6.711 5.526 14.448 1.00 12.45 C ATOM 646 O SER A 623 -5.768 5.707 13.666 1.00 75.51 O ATOM 647 CB SER A 623 -6.037 4.876 16.787 1.00 51.53 C ATOM 648 OG SER A 623 -4.652 5.146 16.624 1.00 30.53 O ATOM 0 H SER A 623 -5.179 3.556 14.312 1.00 33.42 H new ATOM 0 HA SER A 623 -7.689 4.104 15.674 1.00 5.20 H new ATOM 0 HB2 SER A 623 -6.547 5.773 17.138 1.00 51.53 H new ATOM 0 HB3 SER A 623 -6.175 4.111 17.551 1.00 51.53 H new ATOM 0 HG SER A 623 -4.536 6.036 16.230 1.00 30.53 H new ATOM 654 N ILE A 624 -7.806 6.223 14.405 1.00 34.53 N ATOM 655 CA ILE A 624 -7.957 7.342 13.531 1.00 41.15 C ATOM 656 C ILE A 624 -7.723 8.613 14.314 1.00 63.45 C ATOM 657 O ILE A 624 -8.305 8.812 15.384 1.00 12.45 O ATOM 658 CB ILE A 624 -9.367 7.387 12.834 1.00 70.41 C ATOM 659 CG1 ILE A 624 -9.571 6.218 11.854 1.00 32.52 C ATOM 660 CG2 ILE A 624 -9.571 8.698 12.101 1.00 63.13 C ATOM 661 CD1 ILE A 624 -9.610 4.844 12.457 1.00 60.35 C ATOM 0 H ILE A 624 -8.625 6.028 14.981 1.00 34.53 H new ATOM 0 HA ILE A 624 -7.220 7.242 12.734 1.00 41.15 H new ATOM 0 HB ILE A 624 -10.106 7.297 13.630 1.00 70.41 H new ATOM 0 HG12 ILE A 624 -10.504 6.382 11.315 1.00 32.52 H new ATOM 0 HG13 ILE A 624 -8.769 6.245 11.117 1.00 32.52 H new ATOM 0 HG21 ILE A 624 -10.553 8.702 11.629 1.00 63.13 H new ATOM 0 HG22 ILE A 624 -9.505 9.525 12.809 1.00 63.13 H new ATOM 0 HG23 ILE A 624 -8.801 8.812 11.338 1.00 63.13 H new ATOM 0 HD11 ILE A 624 -9.758 4.105 11.669 1.00 60.35 H new ATOM 0 HD12 ILE A 624 -8.669 4.645 12.969 1.00 60.35 H new ATOM 0 HD13 ILE A 624 -10.431 4.783 13.171 1.00 60.35 H new ATOM 673 N ILE A 625 -6.883 9.452 13.792 1.00 42.40 N ATOM 674 CA ILE A 625 -6.561 10.703 14.441 1.00 21.35 C ATOM 675 C ILE A 625 -7.566 11.741 14.008 1.00 12.43 C ATOM 676 O ILE A 625 -7.778 11.955 12.807 1.00 11.41 O ATOM 677 CB ILE A 625 -5.129 11.190 14.078 1.00 20.50 C ATOM 678 CG1 ILE A 625 -4.087 10.154 14.503 1.00 5.13 C ATOM 679 CG2 ILE A 625 -4.832 12.548 14.722 1.00 11.21 C ATOM 680 CD1 ILE A 625 -2.677 10.513 14.108 1.00 23.10 C ATOM 0 H ILE A 625 -6.398 9.298 12.908 1.00 42.40 H new ATOM 0 HA ILE A 625 -6.596 10.552 15.520 1.00 21.35 H new ATOM 0 HB ILE A 625 -5.076 11.311 12.996 1.00 20.50 H new ATOM 0 HG12 ILE A 625 -4.131 10.031 15.585 1.00 5.13 H new ATOM 0 HG13 ILE A 625 -4.344 9.191 14.062 1.00 5.13 H new ATOM 0 HG21 ILE A 625 -3.825 12.866 14.453 1.00 11.21 H new ATOM 0 HG22 ILE A 625 -5.552 13.285 14.366 1.00 11.21 H new ATOM 0 HG23 ILE A 625 -4.907 12.461 15.806 1.00 11.21 H new ATOM 0 HD11 ILE A 625 -1.995 9.732 14.443 1.00 23.10 H new ATOM 0 HD12 ILE A 625 -2.616 10.608 13.024 1.00 23.10 H new ATOM 0 HD13 ILE A 625 -2.399 11.460 14.571 1.00 23.10 H new ATOM 692 N ASN A 626 -8.197 12.372 14.943 1.00 54.22 N ATOM 693 CA ASN A 626 -9.174 13.372 14.612 1.00 61.41 C ATOM 694 C ASN A 626 -8.489 14.706 14.417 1.00 42.34 C ATOM 695 O ASN A 626 -8.387 15.507 15.341 1.00 42.30 O ATOM 696 CB ASN A 626 -10.295 13.478 15.669 1.00 62.43 C ATOM 697 CG ASN A 626 -11.066 12.177 15.873 1.00 53.55 C ATOM 698 OD1 ASN A 626 -10.702 11.354 16.710 1.00 43.12 O ATOM 699 ND2 ASN A 626 -12.116 11.981 15.120 1.00 61.01 N ATOM 0 H ASN A 626 -8.058 12.218 15.942 1.00 54.22 H new ATOM 0 HA ASN A 626 -9.656 13.071 13.682 1.00 61.41 H new ATOM 0 HB2 ASN A 626 -9.859 13.785 16.620 1.00 62.43 H new ATOM 0 HB3 ASN A 626 -10.992 14.261 15.370 1.00 62.43 H new ATOM 0 HD21 ASN A 626 -12.661 11.124 15.218 1.00 61.01 H new ATOM 0 HD22 ASN A 626 -12.391 12.685 14.435 1.00 61.01 H new ATOM 706 N GLY A 627 -7.944 14.900 13.236 1.00 61.12 N ATOM 707 CA GLY A 627 -7.280 16.148 12.924 1.00 42.01 C ATOM 708 C GLY A 627 -6.459 16.066 11.656 1.00 2.00 C ATOM 709 O GLY A 627 -5.426 16.723 11.534 1.00 63.32 O ATOM 0 H GLY A 627 -7.947 14.215 12.480 1.00 61.12 H new ATOM 0 HA2 GLY A 627 -8.025 16.936 12.820 1.00 42.01 H new ATOM 0 HA3 GLY A 627 -6.633 16.429 13.755 1.00 42.01 H new ATOM 713 N GLY A 628 -6.922 15.281 10.707 1.00 72.21 N ATOM 714 CA GLY A 628 -6.206 15.122 9.462 1.00 3.23 C ATOM 715 C GLY A 628 -7.152 15.141 8.295 1.00 70.12 C ATOM 716 O GLY A 628 -8.339 14.820 8.459 1.00 54.41 O ATOM 0 H GLY A 628 -7.787 14.745 10.774 1.00 72.21 H new ATOM 0 HA2 GLY A 628 -5.473 15.921 9.354 1.00 3.23 H new ATOM 0 HA3 GLY A 628 -5.654 14.182 9.473 1.00 3.23 H new ATOM 720 N ALA A 629 -6.650 15.488 7.123 1.00 13.03 N ATOM 721 CA ALA A 629 -7.484 15.610 5.924 1.00 73.23 C ATOM 722 C ALA A 629 -8.079 14.268 5.510 1.00 61.52 C ATOM 723 O ALA A 629 -9.259 14.185 5.154 1.00 52.11 O ATOM 724 CB ALA A 629 -6.705 16.262 4.782 1.00 62.01 C ATOM 0 H ALA A 629 -5.663 15.693 6.968 1.00 13.03 H new ATOM 0 HA ALA A 629 -8.322 16.263 6.168 1.00 73.23 H new ATOM 0 HB1 ALA A 629 -7.345 16.341 3.904 1.00 62.01 H new ATOM 0 HB2 ALA A 629 -6.380 17.257 5.085 1.00 62.01 H new ATOM 0 HB3 ALA A 629 -5.833 15.653 4.542 1.00 62.01 H new ATOM 730 N ALA A 630 -7.275 13.213 5.587 1.00 3.34 N ATOM 731 CA ALA A 630 -7.739 11.864 5.249 1.00 23.13 C ATOM 732 C ALA A 630 -8.774 11.431 6.214 1.00 53.01 C ATOM 733 O ALA A 630 -9.740 10.756 5.861 1.00 13.13 O ATOM 734 CB ALA A 630 -6.603 10.882 5.292 1.00 23.41 C ATOM 0 H ALA A 630 -6.299 13.261 5.880 1.00 3.34 H new ATOM 0 HA ALA A 630 -8.152 11.893 4.241 1.00 23.13 H new ATOM 0 HB1 ALA A 630 -6.971 9.888 5.038 1.00 23.41 H new ATOM 0 HB2 ALA A 630 -5.838 11.180 4.575 1.00 23.41 H new ATOM 0 HB3 ALA A 630 -6.175 10.865 6.294 1.00 23.41 H new ATOM 740 N SER A 631 -8.568 11.833 7.421 1.00 53.43 N ATOM 741 CA SER A 631 -9.445 11.510 8.486 1.00 11.34 C ATOM 742 C SER A 631 -10.811 12.147 8.254 1.00 54.12 C ATOM 743 O SER A 631 -11.829 11.467 8.336 1.00 43.43 O ATOM 744 CB SER A 631 -8.839 11.962 9.814 1.00 34.11 C ATOM 745 OG SER A 631 -9.670 11.635 10.907 1.00 13.25 O ATOM 0 H SER A 631 -7.770 12.405 7.697 1.00 53.43 H new ATOM 0 HA SER A 631 -9.582 10.429 8.526 1.00 11.34 H new ATOM 0 HB2 SER A 631 -7.863 11.494 9.946 1.00 34.11 H new ATOM 0 HB3 SER A 631 -8.676 13.039 9.791 1.00 34.11 H new ATOM 0 HG SER A 631 -9.182 11.782 11.744 1.00 13.25 H new ATOM 751 N LYS A 632 -10.826 13.433 7.924 1.00 63.54 N ATOM 752 CA LYS A 632 -12.079 14.143 7.745 1.00 22.34 C ATOM 753 C LYS A 632 -12.785 13.781 6.444 1.00 72.34 C ATOM 754 O LYS A 632 -13.960 13.416 6.461 1.00 21.22 O ATOM 755 CB LYS A 632 -11.880 15.667 7.836 1.00 13.45 C ATOM 756 CG LYS A 632 -11.338 16.161 9.174 1.00 51.12 C ATOM 757 CD LYS A 632 -12.246 15.765 10.330 1.00 25.23 C ATOM 758 CE LYS A 632 -11.730 16.294 11.664 1.00 11.45 C ATOM 759 NZ LYS A 632 -11.749 17.771 11.724 1.00 41.14 N ATOM 0 H LYS A 632 -9.990 13.999 7.777 1.00 63.54 H new ATOM 0 HA LYS A 632 -12.724 13.822 8.563 1.00 22.34 H new ATOM 0 HB2 LYS A 632 -11.197 15.978 7.046 1.00 13.45 H new ATOM 0 HB3 LYS A 632 -12.835 16.156 7.643 1.00 13.45 H new ATOM 0 HG2 LYS A 632 -10.341 15.751 9.337 1.00 51.12 H new ATOM 0 HG3 LYS A 632 -11.235 17.246 9.147 1.00 51.12 H new ATOM 0 HD2 LYS A 632 -13.250 16.149 10.151 1.00 25.23 H new ATOM 0 HD3 LYS A 632 -12.323 14.679 10.375 1.00 25.23 H new ATOM 0 HE2 LYS A 632 -12.340 15.891 12.473 1.00 11.45 H new ATOM 0 HE3 LYS A 632 -10.712 15.939 11.825 1.00 11.45 H new ATOM 0 HZ1 LYS A 632 -11.570 18.081 12.701 1.00 41.14 H new ATOM 0 HZ2 LYS A 632 -11.011 18.153 11.099 1.00 41.14 H new ATOM 0 HZ3 LYS A 632 -12.679 18.119 11.415 1.00 41.14 H new ATOM 773 N ASP A 633 -12.082 13.843 5.327 1.00 72.22 N ATOM 774 CA ASP A 633 -12.738 13.599 4.043 1.00 63.21 C ATOM 775 C ASP A 633 -12.961 12.131 3.791 1.00 15.24 C ATOM 776 O ASP A 633 -14.069 11.709 3.448 1.00 53.13 O ATOM 777 CB ASP A 633 -11.971 14.214 2.870 1.00 31.23 C ATOM 778 CG ASP A 633 -12.706 14.026 1.547 1.00 54.54 C ATOM 779 OD1 ASP A 633 -13.560 14.885 1.199 1.00 34.20 O ATOM 780 OD2 ASP A 633 -12.459 13.022 0.840 1.00 63.32 O ATOM 0 H ASP A 633 -11.085 14.053 5.275 1.00 72.22 H new ATOM 0 HA ASP A 633 -13.709 14.091 4.110 1.00 63.21 H new ATOM 0 HB2 ASP A 633 -11.820 15.278 3.053 1.00 31.23 H new ATOM 0 HB3 ASP A 633 -10.983 13.759 2.804 1.00 31.23 H new ATOM 785 N GLY A 634 -11.918 11.353 3.984 1.00 20.15 N ATOM 786 CA GLY A 634 -11.975 9.955 3.668 1.00 22.11 C ATOM 787 C GLY A 634 -12.734 9.135 4.679 1.00 12.12 C ATOM 788 O GLY A 634 -13.540 8.291 4.291 1.00 51.41 O ATOM 0 H GLY A 634 -11.024 11.671 4.358 1.00 20.15 H new ATOM 0 HA2 GLY A 634 -12.441 9.831 2.690 1.00 22.11 H new ATOM 0 HA3 GLY A 634 -10.959 9.568 3.589 1.00 22.11 H new ATOM 792 N ARG A 635 -12.506 9.409 5.975 1.00 23.45 N ATOM 793 CA ARG A 635 -13.125 8.636 7.068 1.00 2.02 C ATOM 794 C ARG A 635 -12.723 7.161 6.998 1.00 50.11 C ATOM 795 O ARG A 635 -13.428 6.332 6.422 1.00 55.50 O ATOM 796 CB ARG A 635 -14.666 8.778 7.102 1.00 33.45 C ATOM 797 CG ARG A 635 -15.234 10.122 7.589 1.00 22.40 C ATOM 798 CD ARG A 635 -15.192 10.278 9.127 1.00 3.14 C ATOM 799 NE ARG A 635 -13.840 10.366 9.706 1.00 22.21 N ATOM 800 CZ ARG A 635 -13.537 10.103 10.996 1.00 24.34 C ATOM 801 NH1 ARG A 635 -14.458 9.613 11.825 1.00 31.21 N ATOM 802 NH2 ARG A 635 -12.311 10.336 11.457 1.00 21.21 N ATOM 0 H ARG A 635 -11.896 10.162 6.293 1.00 23.45 H new ATOM 0 HA ARG A 635 -12.744 9.059 7.998 1.00 2.02 H new ATOM 0 HB2 ARG A 635 -15.045 8.595 6.097 1.00 33.45 H new ATOM 0 HB3 ARG A 635 -15.065 7.990 7.742 1.00 33.45 H new ATOM 0 HG2 ARG A 635 -14.670 10.935 7.132 1.00 22.40 H new ATOM 0 HG3 ARG A 635 -16.265 10.219 7.248 1.00 22.40 H new ATOM 0 HD2 ARG A 635 -15.748 11.174 9.402 1.00 3.14 H new ATOM 0 HD3 ARG A 635 -15.710 9.431 9.578 1.00 3.14 H new ATOM 0 HE ARG A 635 -13.078 10.646 9.088 1.00 22.21 H new ATOM 0 HH11 ARG A 635 -15.404 9.433 11.488 1.00 31.21 H new ATOM 0 HH12 ARG A 635 -14.217 9.418 12.797 1.00 31.21 H new ATOM 0 HH21 ARG A 635 -11.596 10.715 10.836 1.00 21.21 H new ATOM 0 HH22 ARG A 635 -12.086 10.136 12.432 1.00 21.21 H new ATOM 816 N LEU A 636 -11.565 6.857 7.526 1.00 51.31 N ATOM 817 CA LEU A 636 -11.077 5.484 7.553 1.00 43.04 C ATOM 818 C LEU A 636 -11.689 4.723 8.702 1.00 75.12 C ATOM 819 O LEU A 636 -12.295 5.325 9.598 1.00 34.31 O ATOM 820 CB LEU A 636 -9.528 5.420 7.595 1.00 3.22 C ATOM 821 CG LEU A 636 -8.786 5.613 6.253 1.00 63.02 C ATOM 822 CD1 LEU A 636 -9.105 4.480 5.322 1.00 61.52 C ATOM 823 CD2 LEU A 636 -9.112 6.952 5.605 1.00 45.43 C ATOM 0 H LEU A 636 -10.933 7.538 7.947 1.00 51.31 H new ATOM 0 HA LEU A 636 -11.388 5.006 6.624 1.00 43.04 H new ATOM 0 HB2 LEU A 636 -9.175 6.181 8.291 1.00 3.22 H new ATOM 0 HB3 LEU A 636 -9.239 4.453 8.007 1.00 3.22 H new ATOM 0 HG LEU A 636 -7.716 5.614 6.463 1.00 63.02 H new ATOM 0 HD11 LEU A 636 -8.578 4.625 4.379 1.00 61.52 H new ATOM 0 HD12 LEU A 636 -8.790 3.539 5.773 1.00 61.52 H new ATOM 0 HD13 LEU A 636 -10.179 4.453 5.137 1.00 61.52 H new ATOM 0 HD21 LEU A 636 -8.568 7.043 4.665 1.00 45.43 H new ATOM 0 HD22 LEU A 636 -10.183 7.012 5.412 1.00 45.43 H new ATOM 0 HD23 LEU A 636 -8.819 7.761 6.274 1.00 45.43 H new ATOM 835 N ARG A 637 -11.549 3.418 8.684 1.00 20.41 N ATOM 836 CA ARG A 637 -12.120 2.599 9.743 1.00 33.35 C ATOM 837 C ARG A 637 -10.996 2.098 10.586 1.00 13.01 C ATOM 838 O ARG A 637 -9.834 2.189 10.203 1.00 31.44 O ATOM 839 CB ARG A 637 -12.899 1.335 9.239 1.00 10.12 C ATOM 840 CG ARG A 637 -13.881 1.529 8.102 1.00 21.23 C ATOM 841 CD ARG A 637 -13.127 1.710 6.820 1.00 64.34 C ATOM 842 NE ARG A 637 -13.977 1.880 5.661 1.00 4.41 N ATOM 843 CZ ARG A 637 -13.522 2.083 4.435 1.00 1.35 C ATOM 844 NH1 ARG A 637 -12.220 1.966 4.178 1.00 4.34 N ATOM 845 NH2 ARG A 637 -14.372 2.344 3.446 1.00 42.53 N ATOM 0 H ARG A 637 -11.052 2.900 7.960 1.00 20.41 H new ATOM 0 HA ARG A 637 -12.831 3.233 10.273 1.00 33.35 H new ATOM 0 HB2 ARG A 637 -12.167 0.590 8.928 1.00 10.12 H new ATOM 0 HB3 ARG A 637 -13.442 0.914 10.085 1.00 10.12 H new ATOM 0 HG2 ARG A 637 -14.544 0.667 8.028 1.00 21.23 H new ATOM 0 HG3 ARG A 637 -14.509 2.399 8.294 1.00 21.23 H new ATOM 0 HD2 ARG A 637 -12.476 2.579 6.912 1.00 64.34 H new ATOM 0 HD3 ARG A 637 -12.483 0.845 6.663 1.00 64.34 H new ATOM 0 HE ARG A 637 -14.987 1.841 5.797 1.00 4.41 H new ATOM 0 HH11 ARG A 637 -11.573 1.720 4.927 1.00 4.34 H new ATOM 0 HH12 ARG A 637 -11.871 2.123 3.233 1.00 4.34 H new ATOM 0 HH21 ARG A 637 -15.374 2.388 3.633 1.00 42.53 H new ATOM 0 HH22 ARG A 637 -14.022 2.501 2.501 1.00 42.53 H new ATOM 859 N VAL A 638 -11.329 1.576 11.698 1.00 10.33 N ATOM 860 CA VAL A 638 -10.357 0.947 12.555 1.00 45.22 C ATOM 861 C VAL A 638 -10.185 -0.494 12.090 1.00 51.01 C ATOM 862 O VAL A 638 -11.169 -1.145 11.718 1.00 14.31 O ATOM 863 CB VAL A 638 -10.804 0.953 14.036 1.00 52.02 C ATOM 864 CG1 VAL A 638 -9.761 0.306 14.934 1.00 65.23 C ATOM 865 CG2 VAL A 638 -11.123 2.358 14.511 1.00 72.23 C ATOM 0 H VAL A 638 -12.283 1.562 12.059 1.00 10.33 H new ATOM 0 HA VAL A 638 -9.421 1.502 12.492 1.00 45.22 H new ATOM 0 HB VAL A 638 -11.716 0.360 14.100 1.00 52.02 H new ATOM 0 HG11 VAL A 638 -10.107 0.327 15.967 1.00 65.23 H new ATOM 0 HG12 VAL A 638 -9.605 -0.727 14.625 1.00 65.23 H new ATOM 0 HG13 VAL A 638 -8.822 0.854 14.855 1.00 65.23 H new ATOM 0 HG21 VAL A 638 -11.434 2.327 15.555 1.00 72.23 H new ATOM 0 HG22 VAL A 638 -10.236 2.985 14.415 1.00 72.23 H new ATOM 0 HG23 VAL A 638 -11.928 2.773 13.905 1.00 72.23 H new ATOM 875 N ASN A 639 -8.940 -0.962 12.079 1.00 72.25 N ATOM 876 CA ASN A 639 -8.565 -2.332 11.674 1.00 61.24 C ATOM 877 C ASN A 639 -8.841 -2.521 10.173 1.00 32.43 C ATOM 878 O ASN A 639 -9.032 -3.626 9.674 1.00 34.22 O ATOM 879 CB ASN A 639 -9.304 -3.370 12.548 1.00 72.10 C ATOM 880 CG ASN A 639 -8.765 -4.783 12.405 1.00 45.23 C ATOM 881 OD1 ASN A 639 -7.588 -4.994 12.123 1.00 54.23 O ATOM 882 ND2 ASN A 639 -9.607 -5.749 12.627 1.00 30.11 N ATOM 0 H ASN A 639 -8.139 -0.394 12.356 1.00 72.25 H new ATOM 0 HA ASN A 639 -7.498 -2.488 11.833 1.00 61.24 H new ATOM 0 HB2 ASN A 639 -9.234 -3.068 13.593 1.00 72.10 H new ATOM 0 HB3 ASN A 639 -10.362 -3.366 12.285 1.00 72.10 H new ATOM 0 HD21 ASN A 639 -9.297 -6.719 12.569 1.00 30.11 H new ATOM 0 HD22 ASN A 639 -10.577 -5.537 12.859 1.00 30.11 H new ATOM 889 N ASP A 640 -8.808 -1.409 9.466 1.00 72.24 N ATOM 890 CA ASP A 640 -9.035 -1.371 8.031 1.00 35.41 C ATOM 891 C ASP A 640 -7.727 -1.737 7.336 1.00 45.33 C ATOM 892 O ASP A 640 -6.645 -1.355 7.802 1.00 24.44 O ATOM 893 CB ASP A 640 -9.513 0.041 7.645 1.00 3.44 C ATOM 894 CG ASP A 640 -10.150 0.120 6.286 1.00 3.11 C ATOM 895 OD1 ASP A 640 -10.775 -0.862 5.877 1.00 63.21 O ATOM 896 OD2 ASP A 640 -10.127 1.205 5.672 1.00 60.12 O ATOM 0 H ASP A 640 -8.621 -0.494 9.875 1.00 72.24 H new ATOM 0 HA ASP A 640 -9.802 -2.082 7.724 1.00 35.41 H new ATOM 0 HB2 ASP A 640 -10.228 0.388 8.391 1.00 3.44 H new ATOM 0 HB3 ASP A 640 -8.663 0.723 7.677 1.00 3.44 H new ATOM 901 N GLN A 641 -7.821 -2.476 6.255 1.00 11.13 N ATOM 902 CA GLN A 641 -6.660 -3.033 5.569 1.00 1.02 C ATOM 903 C GLN A 641 -6.105 -2.075 4.536 1.00 13.30 C ATOM 904 O GLN A 641 -6.777 -1.733 3.573 1.00 73.44 O ATOM 905 CB GLN A 641 -7.058 -4.367 4.903 1.00 32.55 C ATOM 906 CG GLN A 641 -5.997 -5.039 4.010 1.00 45.10 C ATOM 907 CD GLN A 641 -4.768 -5.484 4.744 1.00 52.03 C ATOM 908 OE1 GLN A 641 -4.712 -6.592 5.246 1.00 43.20 O ATOM 909 NE2 GLN A 641 -3.759 -4.670 4.739 1.00 15.00 N ATOM 0 H GLN A 641 -8.711 -2.714 5.817 1.00 11.13 H new ATOM 0 HA GLN A 641 -5.874 -3.205 6.305 1.00 1.02 H new ATOM 0 HB2 GLN A 641 -7.336 -5.070 5.689 1.00 32.55 H new ATOM 0 HB3 GLN A 641 -7.950 -4.194 4.300 1.00 32.55 H new ATOM 0 HG2 GLN A 641 -6.446 -5.902 3.519 1.00 45.10 H new ATOM 0 HG3 GLN A 641 -5.705 -4.342 3.225 1.00 45.10 H new ATOM 0 HE21 GLN A 641 -3.848 -3.750 4.307 1.00 15.00 H new ATOM 0 HE22 GLN A 641 -2.876 -4.950 5.167 1.00 15.00 H new ATOM 918 N LEU A 642 -4.880 -1.651 4.741 1.00 11.34 N ATOM 919 CA LEU A 642 -4.210 -0.785 3.790 1.00 43.21 C ATOM 920 C LEU A 642 -3.642 -1.623 2.647 1.00 43.00 C ATOM 921 O LEU A 642 -3.005 -2.650 2.883 1.00 62.53 O ATOM 922 CB LEU A 642 -3.121 0.100 4.458 1.00 35.51 C ATOM 923 CG LEU A 642 -3.591 1.197 5.425 1.00 34.23 C ATOM 924 CD1 LEU A 642 -4.236 0.613 6.663 1.00 64.24 C ATOM 925 CD2 LEU A 642 -2.431 2.090 5.802 1.00 65.12 C ATOM 0 H LEU A 642 -4.322 -1.891 5.561 1.00 11.34 H new ATOM 0 HA LEU A 642 -4.946 -0.091 3.384 1.00 43.21 H new ATOM 0 HB2 LEU A 642 -2.440 -0.557 5.000 1.00 35.51 H new ATOM 0 HB3 LEU A 642 -2.542 0.576 3.666 1.00 35.51 H new ATOM 0 HG LEU A 642 -4.347 1.792 4.913 1.00 34.23 H new ATOM 0 HD11 LEU A 642 -4.555 1.420 7.322 1.00 64.24 H new ATOM 0 HD12 LEU A 642 -5.101 0.016 6.375 1.00 64.24 H new ATOM 0 HD13 LEU A 642 -3.517 -0.018 7.185 1.00 64.24 H new ATOM 0 HD21 LEU A 642 -2.776 2.864 6.488 1.00 65.12 H new ATOM 0 HD22 LEU A 642 -1.656 1.495 6.286 1.00 65.12 H new ATOM 0 HD23 LEU A 642 -2.024 2.556 4.905 1.00 65.12 H new ATOM 937 N ILE A 643 -3.905 -1.198 1.426 1.00 21.41 N ATOM 938 CA ILE A 643 -3.548 -1.958 0.229 1.00 72.53 C ATOM 939 C ILE A 643 -2.480 -1.240 -0.595 1.00 4.12 C ATOM 940 O ILE A 643 -1.405 -1.792 -0.888 1.00 64.11 O ATOM 941 CB ILE A 643 -4.809 -2.138 -0.663 1.00 21.32 C ATOM 942 CG1 ILE A 643 -5.937 -2.818 0.124 1.00 34.24 C ATOM 943 CG2 ILE A 643 -4.486 -2.930 -1.920 1.00 24.00 C ATOM 944 CD1 ILE A 643 -5.633 -4.236 0.573 1.00 51.13 C ATOM 0 H ILE A 643 -4.374 -0.314 1.229 1.00 21.41 H new ATOM 0 HA ILE A 643 -3.155 -2.922 0.553 1.00 72.53 H new ATOM 0 HB ILE A 643 -5.146 -1.147 -0.967 1.00 21.32 H new ATOM 0 HG12 ILE A 643 -6.164 -2.214 1.003 1.00 34.24 H new ATOM 0 HG13 ILE A 643 -6.835 -2.832 -0.494 1.00 34.24 H new ATOM 0 HG21 ILE A 643 -5.387 -3.039 -2.523 1.00 24.00 H new ATOM 0 HG22 ILE A 643 -3.725 -2.403 -2.496 1.00 24.00 H new ATOM 0 HG23 ILE A 643 -4.113 -3.916 -1.643 1.00 24.00 H new ATOM 0 HD11 ILE A 643 -6.487 -4.635 1.121 1.00 51.13 H new ATOM 0 HD12 ILE A 643 -5.438 -4.860 -0.299 1.00 51.13 H new ATOM 0 HD13 ILE A 643 -4.756 -4.233 1.220 1.00 51.13 H new ATOM 956 N ALA A 644 -2.783 -0.028 -0.980 1.00 71.55 N ATOM 957 CA ALA A 644 -1.897 0.762 -1.805 1.00 43.31 C ATOM 958 C ALA A 644 -1.926 2.197 -1.346 1.00 13.40 C ATOM 959 O ALA A 644 -2.938 2.659 -0.811 1.00 20.34 O ATOM 960 CB ALA A 644 -2.301 0.647 -3.265 1.00 14.34 C ATOM 0 H ALA A 644 -3.653 0.443 -0.731 1.00 71.55 H new ATOM 0 HA ALA A 644 -0.878 0.387 -1.708 1.00 43.31 H new ATOM 0 HB1 ALA A 644 -1.627 1.246 -3.877 1.00 14.34 H new ATOM 0 HB2 ALA A 644 -2.245 -0.396 -3.577 1.00 14.34 H new ATOM 0 HB3 ALA A 644 -3.322 1.008 -3.390 1.00 14.34 H new ATOM 966 N VAL A 645 -0.835 2.896 -1.525 1.00 52.11 N ATOM 967 CA VAL A 645 -0.743 4.253 -1.066 1.00 0.53 C ATOM 968 C VAL A 645 -0.003 5.151 -2.072 1.00 32.20 C ATOM 969 O VAL A 645 0.981 4.747 -2.674 1.00 33.14 O ATOM 970 CB VAL A 645 -0.065 4.331 0.333 1.00 1.03 C ATOM 971 CG1 VAL A 645 1.365 3.798 0.291 1.00 63.21 C ATOM 972 CG2 VAL A 645 -0.107 5.745 0.893 1.00 53.51 C ATOM 0 H VAL A 645 0.003 2.544 -1.987 1.00 52.11 H new ATOM 0 HA VAL A 645 -1.763 4.626 -0.976 1.00 0.53 H new ATOM 0 HB VAL A 645 -0.636 3.692 1.006 1.00 1.03 H new ATOM 0 HG11 VAL A 645 1.808 3.867 1.284 1.00 63.21 H new ATOM 0 HG12 VAL A 645 1.356 2.757 -0.030 1.00 63.21 H new ATOM 0 HG13 VAL A 645 1.953 4.389 -0.411 1.00 63.21 H new ATOM 0 HG21 VAL A 645 0.375 5.764 1.871 1.00 53.51 H new ATOM 0 HG22 VAL A 645 0.418 6.420 0.217 1.00 53.51 H new ATOM 0 HG23 VAL A 645 -1.144 6.066 0.993 1.00 53.51 H new ATOM 982 N ASN A 646 -0.543 6.346 -2.265 1.00 14.21 N ATOM 983 CA ASN A 646 0.016 7.424 -3.104 1.00 20.33 C ATOM 984 C ASN A 646 0.127 6.980 -4.588 1.00 45.12 C ATOM 985 O ASN A 646 0.766 7.629 -5.412 1.00 14.52 O ATOM 986 CB ASN A 646 1.391 7.870 -2.535 1.00 54.40 C ATOM 987 CG ASN A 646 1.853 9.235 -3.031 1.00 42.33 C ATOM 988 OD1 ASN A 646 2.482 9.356 -4.067 1.00 20.32 O ATOM 989 ND2 ASN A 646 1.584 10.268 -2.249 1.00 54.14 N ATOM 0 H ASN A 646 -1.424 6.614 -1.825 1.00 14.21 H new ATOM 0 HA ASN A 646 -0.661 8.278 -3.080 1.00 20.33 H new ATOM 0 HB2 ASN A 646 1.333 7.891 -1.447 1.00 54.40 H new ATOM 0 HB3 ASN A 646 2.141 7.125 -2.800 1.00 54.40 H new ATOM 0 HD21 ASN A 646 1.906 11.201 -2.507 1.00 54.14 H new ATOM 0 HD22 ASN A 646 1.055 10.132 -1.388 1.00 54.14 H new ATOM 996 N GLY A 647 -0.539 5.896 -4.923 1.00 71.31 N ATOM 997 CA GLY A 647 -0.466 5.372 -6.266 1.00 43.13 C ATOM 998 C GLY A 647 0.459 4.168 -6.359 1.00 42.51 C ATOM 999 O GLY A 647 0.557 3.524 -7.412 1.00 32.24 O ATOM 0 H GLY A 647 -1.133 5.364 -4.287 1.00 71.31 H new ATOM 0 HA2 GLY A 647 -1.464 5.089 -6.599 1.00 43.13 H new ATOM 0 HA3 GLY A 647 -0.114 6.152 -6.941 1.00 43.13 H new ATOM 1003 N GLU A 648 1.132 3.855 -5.273 1.00 45.10 N ATOM 1004 CA GLU A 648 2.022 2.720 -5.226 1.00 15.01 C ATOM 1005 C GLU A 648 1.421 1.604 -4.379 1.00 61.32 C ATOM 1006 O GLU A 648 0.927 1.838 -3.281 1.00 45.35 O ATOM 1007 CB GLU A 648 3.410 3.125 -4.702 1.00 1.41 C ATOM 1008 CG GLU A 648 4.361 1.953 -4.560 1.00 41.21 C ATOM 1009 CD GLU A 648 5.763 2.347 -4.194 1.00 52.52 C ATOM 1010 OE1 GLU A 648 6.580 2.580 -5.109 1.00 2.23 O ATOM 1011 OE2 GLU A 648 6.092 2.396 -3.006 1.00 21.21 O ATOM 0 H GLU A 648 1.076 4.380 -4.400 1.00 45.10 H new ATOM 0 HA GLU A 648 2.150 2.346 -6.242 1.00 15.01 H new ATOM 0 HB2 GLU A 648 3.847 3.859 -5.379 1.00 1.41 H new ATOM 0 HB3 GLU A 648 3.297 3.612 -3.734 1.00 1.41 H new ATOM 0 HG2 GLU A 648 3.975 1.275 -3.799 1.00 41.21 H new ATOM 0 HG3 GLU A 648 4.383 1.400 -5.499 1.00 41.21 H new ATOM 1018 N SER A 649 1.450 0.406 -4.895 1.00 45.51 N ATOM 1019 CA SER A 649 0.931 -0.730 -4.191 1.00 55.14 C ATOM 1020 C SER A 649 2.032 -1.371 -3.350 1.00 13.03 C ATOM 1021 O SER A 649 3.180 -1.471 -3.789 1.00 22.12 O ATOM 1022 CB SER A 649 0.362 -1.723 -5.189 1.00 32.31 C ATOM 1023 OG SER A 649 -0.641 -1.103 -5.979 1.00 4.24 O ATOM 0 H SER A 649 1.834 0.192 -5.815 1.00 45.51 H new ATOM 0 HA SER A 649 0.134 -0.413 -3.519 1.00 55.14 H new ATOM 0 HB2 SER A 649 1.158 -2.102 -5.830 1.00 32.31 H new ATOM 0 HB3 SER A 649 -0.058 -2.580 -4.662 1.00 32.31 H new ATOM 0 HG SER A 649 -1.000 -1.752 -6.620 1.00 4.24 H new ATOM 1029 N LEU A 650 1.693 -1.772 -2.144 1.00 74.53 N ATOM 1030 CA LEU A 650 2.654 -2.402 -1.249 1.00 71.40 C ATOM 1031 C LEU A 650 2.105 -3.689 -0.702 1.00 24.13 C ATOM 1032 O LEU A 650 2.687 -4.301 0.199 1.00 34.13 O ATOM 1033 CB LEU A 650 3.092 -1.477 -0.087 1.00 11.11 C ATOM 1034 CG LEU A 650 2.017 -0.943 0.902 1.00 14.40 C ATOM 1035 CD1 LEU A 650 2.687 -0.200 2.024 1.00 35.34 C ATOM 1036 CD2 LEU A 650 1.041 -0.005 0.224 1.00 13.14 C ATOM 0 H LEU A 650 0.755 -1.675 -1.754 1.00 74.53 H new ATOM 0 HA LEU A 650 3.542 -2.609 -1.847 1.00 71.40 H new ATOM 0 HB2 LEU A 650 3.838 -2.015 0.498 1.00 11.11 H new ATOM 0 HB3 LEU A 650 3.593 -0.614 -0.525 1.00 11.11 H new ATOM 0 HG LEU A 650 1.466 -1.805 1.279 1.00 14.40 H new ATOM 0 HD11 LEU A 650 1.932 0.173 2.716 1.00 35.34 H new ATOM 0 HD12 LEU A 650 3.363 -0.872 2.553 1.00 35.34 H new ATOM 0 HD13 LEU A 650 3.253 0.638 1.618 1.00 35.34 H new ATOM 0 HD21 LEU A 650 0.308 0.344 0.951 1.00 13.14 H new ATOM 0 HD22 LEU A 650 1.581 0.849 -0.185 1.00 13.14 H new ATOM 0 HD23 LEU A 650 0.530 -0.532 -0.582 1.00 13.14 H new ATOM 1048 N LEU A 651 1.005 -4.115 -1.266 1.00 54.12 N ATOM 1049 CA LEU A 651 0.366 -5.322 -0.851 1.00 45.02 C ATOM 1050 C LEU A 651 1.167 -6.520 -1.339 1.00 55.41 C ATOM 1051 O LEU A 651 1.037 -6.952 -2.495 1.00 70.15 O ATOM 1052 CB LEU A 651 -1.071 -5.385 -1.379 1.00 4.01 C ATOM 1053 CG LEU A 651 -1.890 -6.601 -0.952 1.00 50.31 C ATOM 1054 CD1 LEU A 651 -2.105 -6.606 0.550 1.00 13.34 C ATOM 1055 CD2 LEU A 651 -3.213 -6.646 -1.687 1.00 53.43 C ATOM 0 H LEU A 651 0.531 -3.629 -2.027 1.00 54.12 H new ATOM 0 HA LEU A 651 0.325 -5.341 0.238 1.00 45.02 H new ATOM 0 HB2 LEU A 651 -1.596 -4.487 -1.054 1.00 4.01 H new ATOM 0 HB3 LEU A 651 -1.038 -5.359 -2.468 1.00 4.01 H new ATOM 0 HG LEU A 651 -1.328 -7.497 -1.216 1.00 50.31 H new ATOM 0 HD11 LEU A 651 -2.691 -7.481 0.831 1.00 13.34 H new ATOM 0 HD12 LEU A 651 -1.140 -6.638 1.056 1.00 13.34 H new ATOM 0 HD13 LEU A 651 -2.639 -5.702 0.844 1.00 13.34 H new ATOM 0 HD21 LEU A 651 -3.778 -7.521 -1.366 1.00 53.43 H new ATOM 0 HD22 LEU A 651 -3.783 -5.744 -1.465 1.00 53.43 H new ATOM 0 HD23 LEU A 651 -3.031 -6.705 -2.760 1.00 53.43 H new ATOM 1067 N GLY A 652 2.045 -6.992 -0.500 1.00 64.32 N ATOM 1068 CA GLY A 652 2.825 -8.150 -0.836 1.00 43.34 C ATOM 1069 C GLY A 652 4.134 -8.187 -0.104 1.00 61.23 C ATOM 1070 O GLY A 652 4.715 -9.262 0.104 1.00 51.14 O ATOM 0 H GLY A 652 2.239 -6.595 0.419 1.00 64.32 H new ATOM 0 HA2 GLY A 652 2.255 -9.049 -0.602 1.00 43.34 H new ATOM 0 HA3 GLY A 652 3.011 -8.161 -1.910 1.00 43.34 H new ATOM 1074 N LYS A 653 4.623 -7.031 0.278 1.00 71.43 N ATOM 1075 CA LYS A 653 5.865 -6.963 1.012 1.00 34.24 C ATOM 1076 C LYS A 653 5.607 -7.172 2.500 1.00 35.44 C ATOM 1077 O LYS A 653 4.455 -7.140 2.941 1.00 72.10 O ATOM 1078 CB LYS A 653 6.616 -5.646 0.736 1.00 25.52 C ATOM 1079 CG LYS A 653 5.869 -4.374 1.116 1.00 42.54 C ATOM 1080 CD LYS A 653 6.713 -3.128 0.835 1.00 43.33 C ATOM 1081 CE LYS A 653 6.944 -2.883 -0.647 1.00 74.54 C ATOM 1082 NZ LYS A 653 7.916 -1.804 -0.875 1.00 33.03 N ATOM 0 H LYS A 653 4.183 -6.129 0.094 1.00 71.43 H new ATOM 0 HA LYS A 653 6.515 -7.767 0.666 1.00 34.24 H new ATOM 0 HB2 LYS A 653 7.562 -5.667 1.278 1.00 25.52 H new ATOM 0 HB3 LYS A 653 6.858 -5.601 -0.326 1.00 25.52 H new ATOM 0 HG2 LYS A 653 4.935 -4.317 0.556 1.00 42.54 H new ATOM 0 HG3 LYS A 653 5.606 -4.407 2.173 1.00 42.54 H new ATOM 0 HD2 LYS A 653 6.220 -2.258 1.268 1.00 43.33 H new ATOM 0 HD3 LYS A 653 7.677 -3.230 1.334 1.00 43.33 H new ATOM 0 HE2 LYS A 653 7.301 -3.800 -1.116 1.00 74.54 H new ATOM 0 HE3 LYS A 653 5.998 -2.628 -1.125 1.00 74.54 H new ATOM 0 HZ1 LYS A 653 7.611 -1.227 -1.685 1.00 33.03 H new ATOM 0 HZ2 LYS A 653 7.976 -1.206 -0.027 1.00 33.03 H new ATOM 0 HZ3 LYS A 653 8.850 -2.215 -1.075 1.00 33.03 H new ATOM 1096 N ALA A 654 6.662 -7.394 3.263 1.00 34.32 N ATOM 1097 CA ALA A 654 6.542 -7.642 4.701 1.00 34.11 C ATOM 1098 C ALA A 654 6.068 -6.381 5.432 1.00 62.13 C ATOM 1099 O ALA A 654 6.146 -5.282 4.874 1.00 3.21 O ATOM 1100 CB ALA A 654 7.866 -8.130 5.248 1.00 44.31 C ATOM 0 H ALA A 654 7.620 -7.409 2.914 1.00 34.32 H new ATOM 0 HA ALA A 654 5.793 -8.416 4.867 1.00 34.11 H new ATOM 0 HB1 ALA A 654 7.772 -8.313 6.318 1.00 44.31 H new ATOM 0 HB2 ALA A 654 8.149 -9.055 4.745 1.00 44.31 H new ATOM 0 HB3 ALA A 654 8.632 -7.374 5.075 1.00 44.31 H new ATOM 1106 N ASN A 655 5.609 -6.528 6.680 1.00 21.23 N ATOM 1107 CA ASN A 655 5.025 -5.388 7.420 1.00 2.24 C ATOM 1108 C ASN A 655 5.984 -4.241 7.585 1.00 43.13 C ATOM 1109 O ASN A 655 5.641 -3.116 7.264 1.00 51.32 O ATOM 1110 CB ASN A 655 4.480 -5.785 8.803 1.00 64.50 C ATOM 1111 CG ASN A 655 3.276 -6.700 8.757 1.00 51.52 C ATOM 1112 OD1 ASN A 655 2.499 -6.689 7.815 1.00 4.01 O ATOM 1113 ND2 ASN A 655 3.097 -7.470 9.796 1.00 14.02 N ATOM 0 H ASN A 655 5.626 -7.407 7.197 1.00 21.23 H new ATOM 0 HA ASN A 655 4.193 -5.061 6.796 1.00 2.24 H new ATOM 0 HB2 ASN A 655 5.274 -6.276 9.366 1.00 64.50 H new ATOM 0 HB3 ASN A 655 4.214 -4.880 9.349 1.00 64.50 H new ATOM 0 HD21 ASN A 655 2.287 -8.089 9.839 1.00 14.02 H new ATOM 0 HD22 ASN A 655 3.767 -7.453 10.565 1.00 14.02 H new ATOM 1120 N GLN A 656 7.204 -4.516 8.034 1.00 44.14 N ATOM 1121 CA GLN A 656 8.181 -3.453 8.258 1.00 2.22 C ATOM 1122 C GLN A 656 8.516 -2.754 6.950 1.00 43.45 C ATOM 1123 O GLN A 656 8.718 -1.534 6.908 1.00 24.41 O ATOM 1124 CB GLN A 656 9.473 -3.959 8.930 1.00 63.44 C ATOM 1125 CG GLN A 656 9.307 -4.630 10.304 1.00 74.33 C ATOM 1126 CD GLN A 656 8.726 -6.026 10.237 1.00 12.42 C ATOM 1127 OE1 GLN A 656 7.520 -6.221 10.284 1.00 3.21 O ATOM 1128 NE2 GLN A 656 9.586 -6.996 10.121 1.00 24.12 N ATOM 0 H GLN A 656 7.539 -5.455 8.249 1.00 44.14 H new ATOM 0 HA GLN A 656 7.718 -2.745 8.945 1.00 2.22 H new ATOM 0 HB2 GLN A 656 9.953 -4.670 8.257 1.00 63.44 H new ATOM 0 HB3 GLN A 656 10.154 -3.115 9.041 1.00 63.44 H new ATOM 0 HG2 GLN A 656 10.279 -4.674 10.796 1.00 74.33 H new ATOM 0 HG3 GLN A 656 8.663 -4.008 10.926 1.00 74.33 H new ATOM 0 HE21 GLN A 656 10.585 -6.791 10.085 1.00 24.12 H new ATOM 0 HE22 GLN A 656 9.261 -7.961 10.066 1.00 24.12 H new ATOM 1137 N GLU A 657 8.528 -3.532 5.886 1.00 55.32 N ATOM 1138 CA GLU A 657 8.803 -3.031 4.563 1.00 51.21 C ATOM 1139 C GLU A 657 7.680 -2.108 4.154 1.00 63.31 C ATOM 1140 O GLU A 657 7.904 -0.986 3.695 1.00 41.30 O ATOM 1141 CB GLU A 657 8.869 -4.188 3.575 1.00 4.25 C ATOM 1142 CG GLU A 657 9.818 -5.304 3.965 1.00 50.34 C ATOM 1143 CD GLU A 657 11.231 -4.849 4.103 1.00 10.42 C ATOM 1144 OE1 GLU A 657 11.889 -4.608 3.072 1.00 73.20 O ATOM 1145 OE2 GLU A 657 11.705 -4.700 5.246 1.00 52.32 O ATOM 0 H GLU A 657 8.346 -4.535 5.920 1.00 55.32 H new ATOM 0 HA GLU A 657 9.755 -2.501 4.565 1.00 51.21 H new ATOM 0 HB2 GLU A 657 7.869 -4.605 3.458 1.00 4.25 H new ATOM 0 HB3 GLU A 657 9.168 -3.799 2.602 1.00 4.25 H new ATOM 0 HG2 GLU A 657 9.489 -5.739 4.909 1.00 50.34 H new ATOM 0 HG3 GLU A 657 9.768 -6.094 3.215 1.00 50.34 H new ATOM 1152 N ALA A 658 6.464 -2.595 4.349 1.00 11.52 N ATOM 1153 CA ALA A 658 5.257 -1.884 4.010 1.00 3.21 C ATOM 1154 C ALA A 658 5.164 -0.571 4.760 1.00 73.51 C ATOM 1155 O ALA A 658 4.855 0.451 4.182 1.00 35.04 O ATOM 1156 CB ALA A 658 4.039 -2.754 4.294 1.00 25.03 C ATOM 0 H ALA A 658 6.293 -3.515 4.756 1.00 11.52 H new ATOM 0 HA ALA A 658 5.284 -1.654 2.945 1.00 3.21 H new ATOM 0 HB1 ALA A 658 3.133 -2.207 4.034 1.00 25.03 H new ATOM 0 HB2 ALA A 658 4.096 -3.665 3.699 1.00 25.03 H new ATOM 0 HB3 ALA A 658 4.016 -3.013 5.353 1.00 25.03 H new ATOM 1162 N MET A 659 5.469 -0.599 6.034 1.00 73.24 N ATOM 1163 CA MET A 659 5.386 0.594 6.862 1.00 43.13 C ATOM 1164 C MET A 659 6.377 1.635 6.409 1.00 45.31 C ATOM 1165 O MET A 659 6.058 2.828 6.397 1.00 4.15 O ATOM 1166 CB MET A 659 5.595 0.255 8.321 1.00 61.34 C ATOM 1167 CG MET A 659 4.648 -0.820 8.792 1.00 43.34 C ATOM 1168 SD MET A 659 4.908 -1.351 10.477 1.00 11.32 S ATOM 1169 CE MET A 659 4.353 0.093 11.291 1.00 24.31 C ATOM 0 H MET A 659 5.779 -1.436 6.528 1.00 73.24 H new ATOM 0 HA MET A 659 4.384 1.009 6.751 1.00 43.13 H new ATOM 0 HB2 MET A 659 6.623 -0.075 8.473 1.00 61.34 H new ATOM 0 HB3 MET A 659 5.455 1.151 8.925 1.00 61.34 H new ATOM 0 HG2 MET A 659 3.626 -0.455 8.693 1.00 43.34 H new ATOM 0 HG3 MET A 659 4.743 -1.684 8.134 1.00 43.34 H new ATOM 0 HE1 MET A 659 5.071 0.376 12.061 1.00 24.31 H new ATOM 0 HE2 MET A 659 4.257 0.904 10.569 1.00 24.31 H new ATOM 0 HE3 MET A 659 3.384 -0.099 11.752 1.00 24.31 H new ATOM 1179 N GLU A 660 7.570 1.192 6.003 1.00 70.22 N ATOM 1180 CA GLU A 660 8.562 2.085 5.508 1.00 14.50 C ATOM 1181 C GLU A 660 8.092 2.657 4.171 1.00 15.20 C ATOM 1182 O GLU A 660 8.162 3.860 3.952 1.00 52.12 O ATOM 1183 CB GLU A 660 9.887 1.364 5.339 1.00 42.23 C ATOM 1184 CG GLU A 660 11.011 2.297 5.006 1.00 23.02 C ATOM 1185 CD GLU A 660 12.314 1.595 4.735 1.00 74.12 C ATOM 1186 OE1 GLU A 660 12.974 1.143 5.692 1.00 42.04 O ATOM 1187 OE2 GLU A 660 12.706 1.505 3.552 1.00 41.12 O ATOM 0 H GLU A 660 7.851 0.212 6.017 1.00 70.22 H new ATOM 0 HA GLU A 660 8.709 2.897 6.220 1.00 14.50 H new ATOM 0 HB2 GLU A 660 10.125 0.828 6.258 1.00 42.23 H new ATOM 0 HB3 GLU A 660 9.793 0.618 4.550 1.00 42.23 H new ATOM 0 HG2 GLU A 660 10.736 2.886 4.131 1.00 23.02 H new ATOM 0 HG3 GLU A 660 11.149 2.996 5.831 1.00 23.02 H new ATOM 1194 N THR A 661 7.563 1.780 3.307 1.00 54.41 N ATOM 1195 CA THR A 661 7.038 2.178 2.008 1.00 20.35 C ATOM 1196 C THR A 661 5.927 3.214 2.189 1.00 5.32 C ATOM 1197 O THR A 661 5.860 4.222 1.469 1.00 74.25 O ATOM 1198 CB THR A 661 6.449 0.944 1.282 1.00 13.30 C ATOM 1199 OG1 THR A 661 7.482 -0.013 1.065 1.00 2.05 O ATOM 1200 CG2 THR A 661 5.827 1.321 -0.052 1.00 32.04 C ATOM 0 H THR A 661 7.490 0.780 3.494 1.00 54.41 H new ATOM 0 HA THR A 661 7.850 2.606 1.419 1.00 20.35 H new ATOM 0 HB THR A 661 5.666 0.524 1.913 1.00 13.30 H new ATOM 0 HG1 THR A 661 7.715 -0.441 1.915 1.00 2.05 H new ATOM 0 HG21 THR A 661 5.425 0.428 -0.531 1.00 32.04 H new ATOM 0 HG22 THR A 661 5.023 2.039 0.111 1.00 32.04 H new ATOM 0 HG23 THR A 661 6.586 1.767 -0.695 1.00 32.04 H new ATOM 1208 N LEU A 662 5.097 2.966 3.174 1.00 73.45 N ATOM 1209 CA LEU A 662 3.964 3.794 3.495 1.00 72.13 C ATOM 1210 C LEU A 662 4.368 5.170 4.000 1.00 21.24 C ATOM 1211 O LEU A 662 3.994 6.167 3.396 1.00 50.13 O ATOM 1212 CB LEU A 662 3.085 3.049 4.513 1.00 0.14 C ATOM 1213 CG LEU A 662 1.924 3.805 5.138 1.00 11.43 C ATOM 1214 CD1 LEU A 662 0.964 4.310 4.078 1.00 53.23 C ATOM 1215 CD2 LEU A 662 1.198 2.912 6.121 1.00 43.32 C ATOM 0 H LEU A 662 5.196 2.159 3.790 1.00 73.45 H new ATOM 0 HA LEU A 662 3.395 3.977 2.583 1.00 72.13 H new ATOM 0 HB2 LEU A 662 2.682 2.164 4.022 1.00 0.14 H new ATOM 0 HB3 LEU A 662 3.730 2.700 5.320 1.00 0.14 H new ATOM 0 HG LEU A 662 2.324 4.670 5.666 1.00 11.43 H new ATOM 0 HD11 LEU A 662 0.144 4.847 4.556 1.00 53.23 H new ATOM 0 HD12 LEU A 662 1.491 4.981 3.400 1.00 53.23 H new ATOM 0 HD13 LEU A 662 0.566 3.465 3.516 1.00 53.23 H new ATOM 0 HD21 LEU A 662 0.367 3.460 6.565 1.00 43.32 H new ATOM 0 HD22 LEU A 662 0.816 2.033 5.601 1.00 43.32 H new ATOM 0 HD23 LEU A 662 1.887 2.599 6.905 1.00 43.32 H new ATOM 1227 N ARG A 663 5.165 5.230 5.062 1.00 64.11 N ATOM 1228 CA ARG A 663 5.562 6.530 5.628 1.00 30.45 C ATOM 1229 C ARG A 663 6.398 7.332 4.633 1.00 63.03 C ATOM 1230 O ARG A 663 6.310 8.551 4.573 1.00 43.15 O ATOM 1231 CB ARG A 663 6.294 6.367 6.967 1.00 21.23 C ATOM 1232 CG ARG A 663 7.522 5.510 6.879 1.00 32.31 C ATOM 1233 CD ARG A 663 8.228 5.372 8.220 1.00 2.52 C ATOM 1234 NE ARG A 663 8.627 6.672 8.771 1.00 1.23 N ATOM 1235 CZ ARG A 663 8.922 6.905 10.058 1.00 2.13 C ATOM 1236 NH1 ARG A 663 8.920 5.912 10.941 1.00 71.41 N ATOM 1237 NH2 ARG A 663 9.239 8.134 10.453 1.00 32.42 N ATOM 0 H ARG A 663 5.546 4.416 5.545 1.00 64.11 H new ATOM 0 HA ARG A 663 4.649 7.091 5.826 1.00 30.45 H new ATOM 0 HB2 ARG A 663 6.574 7.352 7.341 1.00 21.23 H new ATOM 0 HB3 ARG A 663 5.609 5.933 7.695 1.00 21.23 H new ATOM 0 HG2 ARG A 663 7.247 4.521 6.513 1.00 32.31 H new ATOM 0 HG3 ARG A 663 8.210 5.939 6.151 1.00 32.31 H new ATOM 0 HD2 ARG A 663 7.569 4.867 8.926 1.00 2.52 H new ATOM 0 HD3 ARG A 663 9.110 4.743 8.102 1.00 2.52 H new ATOM 0 HE ARG A 663 8.684 7.459 8.125 1.00 1.23 H new ATOM 0 HH11 ARG A 663 8.693 4.964 10.642 1.00 71.41 H new ATOM 0 HH12 ARG A 663 9.146 6.098 11.918 1.00 71.41 H new ATOM 0 HH21 ARG A 663 9.258 8.898 9.777 1.00 32.42 H new ATOM 0 HH22 ARG A 663 9.464 8.313 11.432 1.00 32.42 H new ATOM 1251 N ARG A 664 7.175 6.625 3.835 1.00 24.21 N ATOM 1252 CA ARG A 664 7.994 7.237 2.814 1.00 54.51 C ATOM 1253 C ARG A 664 7.145 7.887 1.748 1.00 70.45 C ATOM 1254 O ARG A 664 7.312 9.038 1.460 1.00 5.21 O ATOM 1255 CB ARG A 664 8.883 6.188 2.168 1.00 74.11 C ATOM 1256 CG ARG A 664 9.677 6.665 0.967 1.00 64.51 C ATOM 1257 CD ARG A 664 10.386 5.499 0.348 1.00 75.23 C ATOM 1258 NE ARG A 664 11.059 5.821 -0.909 1.00 3.42 N ATOM 1259 CZ ARG A 664 11.611 4.904 -1.711 1.00 12.33 C ATOM 1260 NH1 ARG A 664 11.627 3.626 -1.346 1.00 2.52 N ATOM 1261 NH2 ARG A 664 12.156 5.262 -2.868 1.00 42.21 N ATOM 0 H ARG A 664 7.254 5.609 3.879 1.00 24.21 H new ATOM 0 HA ARG A 664 8.604 8.004 3.291 1.00 54.51 H new ATOM 0 HB2 ARG A 664 9.579 5.813 2.918 1.00 74.11 H new ATOM 0 HB3 ARG A 664 8.261 5.347 1.862 1.00 74.11 H new ATOM 0 HG2 ARG A 664 9.013 7.130 0.239 1.00 64.51 H new ATOM 0 HG3 ARG A 664 10.398 7.424 1.271 1.00 64.51 H new ATOM 0 HD2 ARG A 664 11.121 5.115 1.055 1.00 75.23 H new ATOM 0 HD3 ARG A 664 9.666 4.700 0.170 1.00 75.23 H new ATOM 0 HE ARG A 664 11.111 6.800 -1.190 1.00 3.42 H new ATOM 0 HH11 ARG A 664 11.218 3.345 -0.455 1.00 2.52 H new ATOM 0 HH12 ARG A 664 12.048 2.926 -1.957 1.00 2.52 H new ATOM 0 HH21 ARG A 664 12.156 6.242 -3.150 1.00 42.21 H new ATOM 0 HH22 ARG A 664 12.575 4.557 -3.474 1.00 42.21 H new ATOM 1275 N SER A 665 6.200 7.172 1.212 1.00 13.44 N ATOM 1276 CA SER A 665 5.462 7.687 0.090 1.00 43.33 C ATOM 1277 C SER A 665 4.461 8.738 0.514 1.00 14.34 C ATOM 1278 O SER A 665 4.263 9.728 -0.180 1.00 5.12 O ATOM 1279 CB SER A 665 4.795 6.555 -0.680 1.00 61.12 C ATOM 1280 OG SER A 665 4.020 5.755 0.197 1.00 61.23 O ATOM 0 H SER A 665 5.922 6.242 1.526 1.00 13.44 H new ATOM 0 HA SER A 665 6.170 8.177 -0.579 1.00 43.33 H new ATOM 0 HB2 SER A 665 4.161 6.965 -1.466 1.00 61.12 H new ATOM 0 HB3 SER A 665 5.553 5.942 -1.169 1.00 61.12 H new ATOM 0 HG SER A 665 4.598 5.095 0.634 1.00 61.23 H new ATOM 1286 N MET A 666 3.863 8.550 1.668 1.00 55.11 N ATOM 1287 CA MET A 666 2.882 9.492 2.137 1.00 11.21 C ATOM 1288 C MET A 666 3.524 10.816 2.543 1.00 34.01 C ATOM 1289 O MET A 666 2.886 11.869 2.493 1.00 35.34 O ATOM 1290 CB MET A 666 1.985 8.884 3.244 1.00 23.31 C ATOM 1291 CG MET A 666 2.651 8.534 4.573 1.00 24.43 C ATOM 1292 SD MET A 666 3.149 9.954 5.559 1.00 64.14 S ATOM 1293 CE MET A 666 1.578 10.789 5.694 1.00 3.13 C ATOM 0 H MET A 666 4.038 7.761 2.291 1.00 55.11 H new ATOM 0 HA MET A 666 2.216 9.721 1.305 1.00 11.21 H new ATOM 0 HB2 MET A 666 1.177 9.587 3.447 1.00 23.31 H new ATOM 0 HB3 MET A 666 1.527 7.978 2.847 1.00 23.31 H new ATOM 0 HG2 MET A 666 1.963 7.924 5.159 1.00 24.43 H new ATOM 0 HG3 MET A 666 3.530 7.921 4.373 1.00 24.43 H new ATOM 0 HE1 MET A 666 1.401 11.065 6.733 1.00 3.13 H new ATOM 0 HE2 MET A 666 1.589 11.687 5.077 1.00 3.13 H new ATOM 0 HE3 MET A 666 0.783 10.125 5.354 1.00 3.13 H new ATOM 1303 N SER A 667 4.777 10.762 2.937 1.00 12.03 N ATOM 1304 CA SER A 667 5.492 11.948 3.299 1.00 34.32 C ATOM 1305 C SER A 667 6.257 12.509 2.097 1.00 11.21 C ATOM 1306 O SER A 667 6.040 13.652 1.695 1.00 15.12 O ATOM 1307 CB SER A 667 6.431 11.671 4.488 1.00 72.12 C ATOM 1308 OG SER A 667 7.135 12.840 4.896 1.00 42.41 O ATOM 0 H SER A 667 5.317 9.900 3.012 1.00 12.03 H new ATOM 0 HA SER A 667 4.773 12.705 3.612 1.00 34.32 H new ATOM 0 HB2 SER A 667 5.850 11.286 5.326 1.00 72.12 H new ATOM 0 HB3 SER A 667 7.145 10.895 4.213 1.00 72.12 H new ATOM 0 HG SER A 667 7.718 12.623 5.653 1.00 42.41 H new ATOM 1314 N THR A 668 7.106 11.680 1.500 1.00 70.13 N ATOM 1315 CA THR A 668 7.969 12.090 0.415 1.00 1.15 C ATOM 1316 C THR A 668 7.192 12.452 -0.844 1.00 1.32 C ATOM 1317 O THR A 668 7.462 13.480 -1.485 1.00 41.41 O ATOM 1318 CB THR A 668 9.028 11.003 0.136 1.00 63.41 C ATOM 1319 OG1 THR A 668 9.817 10.825 1.335 1.00 33.34 O ATOM 1320 CG2 THR A 668 9.944 11.378 -1.025 1.00 64.33 C ATOM 0 H THR A 668 7.210 10.700 1.762 1.00 70.13 H new ATOM 0 HA THR A 668 8.480 13.001 0.727 1.00 1.15 H new ATOM 0 HB THR A 668 8.516 10.082 -0.141 1.00 63.41 H new ATOM 0 HG1 THR A 668 10.496 10.136 1.180 1.00 33.34 H new ATOM 0 HG21 THR A 668 10.673 10.583 -1.185 1.00 64.33 H new ATOM 0 HG22 THR A 668 9.350 11.512 -1.929 1.00 64.33 H new ATOM 0 HG23 THR A 668 10.465 12.307 -0.792 1.00 64.33 H new ATOM 1328 N GLU A 669 6.217 11.648 -1.182 1.00 34.33 N ATOM 1329 CA GLU A 669 5.434 11.901 -2.364 1.00 10.51 C ATOM 1330 C GLU A 669 4.103 12.555 -2.008 1.00 22.01 C ATOM 1331 O GLU A 669 3.328 12.945 -2.893 1.00 45.21 O ATOM 1332 CB GLU A 669 5.243 10.627 -3.171 1.00 21.32 C ATOM 1333 CG GLU A 669 6.548 10.022 -3.648 1.00 42.11 C ATOM 1334 CD GLU A 669 6.355 8.776 -4.465 1.00 14.25 C ATOM 1335 OE1 GLU A 669 6.120 8.881 -5.692 1.00 63.11 O ATOM 1336 OE2 GLU A 669 6.448 7.669 -3.913 1.00 10.51 O ATOM 0 H GLU A 669 5.947 10.816 -0.658 1.00 34.33 H new ATOM 0 HA GLU A 669 5.980 12.604 -2.993 1.00 10.51 H new ATOM 0 HB2 GLU A 669 4.712 9.895 -2.563 1.00 21.32 H new ATOM 0 HB3 GLU A 669 4.613 10.842 -4.034 1.00 21.32 H new ATOM 0 HG2 GLU A 669 7.088 10.759 -4.242 1.00 42.11 H new ATOM 0 HG3 GLU A 669 7.172 9.790 -2.784 1.00 42.11 H new ATOM 1343 N GLY A 670 3.839 12.676 -0.710 1.00 50.40 N ATOM 1344 CA GLY A 670 2.645 13.348 -0.248 1.00 72.10 C ATOM 1345 C GLY A 670 2.726 14.804 -0.590 1.00 30.21 C ATOM 1346 O GLY A 670 1.999 15.300 -1.479 1.00 10.23 O ATOM 0 H GLY A 670 4.438 12.316 0.033 1.00 50.40 H new ATOM 0 HA2 GLY A 670 1.763 12.904 -0.710 1.00 72.10 H new ATOM 0 HA3 GLY A 670 2.538 13.222 0.829 1.00 72.10 H new ATOM 1350 N ASN A 671 3.636 15.503 0.061 1.00 52.44 N ATOM 1351 CA ASN A 671 3.879 16.880 -0.286 1.00 2.11 C ATOM 1352 C ASN A 671 4.805 16.952 -1.492 1.00 4.13 C ATOM 1353 O ASN A 671 5.982 17.269 -1.403 1.00 54.43 O ATOM 1354 CB ASN A 671 4.330 17.781 0.905 1.00 42.22 C ATOM 1355 CG ASN A 671 5.587 17.328 1.652 1.00 11.33 C ATOM 1356 OD1 ASN A 671 5.508 16.571 2.620 1.00 41.10 O ATOM 1357 ND2 ASN A 671 6.734 17.812 1.244 1.00 40.20 N ATOM 0 H ASN A 671 4.210 15.141 0.823 1.00 52.44 H new ATOM 0 HA ASN A 671 2.920 17.316 -0.565 1.00 2.11 H new ATOM 0 HB2 ASN A 671 4.500 18.789 0.528 1.00 42.22 H new ATOM 0 HB3 ASN A 671 3.509 17.842 1.620 1.00 42.22 H new ATOM 0 HD21 ASN A 671 7.595 17.564 1.732 1.00 40.20 H new ATOM 0 HD22 ASN A 671 6.766 18.437 0.439 1.00 40.20 H new ATOM 1364 N LYS A 672 4.245 16.555 -2.608 1.00 61.41 N ATOM 1365 CA LYS A 672 4.913 16.486 -3.890 1.00 10.04 C ATOM 1366 C LYS A 672 3.862 16.369 -4.973 1.00 63.53 C ATOM 1367 O LYS A 672 3.988 16.931 -6.057 1.00 12.32 O ATOM 1368 CB LYS A 672 5.831 15.251 -3.936 1.00 52.52 C ATOM 1369 CG LYS A 672 6.539 15.018 -5.268 1.00 54.12 C ATOM 1370 CD LYS A 672 7.486 16.154 -5.632 1.00 13.30 C ATOM 1371 CE LYS A 672 8.198 15.883 -6.954 1.00 31.32 C ATOM 1372 NZ LYS A 672 9.020 14.653 -6.905 1.00 64.24 N ATOM 0 H LYS A 672 3.270 16.258 -2.653 1.00 61.41 H new ATOM 0 HA LYS A 672 5.516 17.382 -4.041 1.00 10.04 H new ATOM 0 HB2 LYS A 672 6.584 15.349 -3.154 1.00 52.52 H new ATOM 0 HB3 LYS A 672 5.238 14.368 -3.699 1.00 52.52 H new ATOM 0 HG2 LYS A 672 7.099 14.084 -5.220 1.00 54.12 H new ATOM 0 HG3 LYS A 672 5.795 14.903 -6.056 1.00 54.12 H new ATOM 0 HD2 LYS A 672 6.927 17.087 -5.703 1.00 13.30 H new ATOM 0 HD3 LYS A 672 8.223 16.283 -4.840 1.00 13.30 H new ATOM 0 HE2 LYS A 672 7.459 15.793 -7.751 1.00 31.32 H new ATOM 0 HE3 LYS A 672 8.833 16.733 -7.203 1.00 31.32 H new ATOM 0 HZ1 LYS A 672 9.663 14.632 -7.722 1.00 64.24 H new ATOM 0 HZ2 LYS A 672 9.577 14.642 -6.027 1.00 64.24 H new ATOM 0 HZ3 LYS A 672 8.399 13.819 -6.931 1.00 64.24 H new ATOM 1386 N ARG A 673 2.832 15.598 -4.689 1.00 55.45 N ATOM 1387 CA ARG A 673 1.734 15.444 -5.617 1.00 32.21 C ATOM 1388 C ARG A 673 0.581 16.346 -5.248 1.00 32.22 C ATOM 1389 O ARG A 673 -0.374 16.482 -6.001 1.00 63.31 O ATOM 1390 CB ARG A 673 1.282 13.985 -5.698 1.00 63.34 C ATOM 1391 CG ARG A 673 2.340 13.011 -6.240 1.00 4.41 C ATOM 1392 CD ARG A 673 2.709 13.291 -7.706 1.00 62.04 C ATOM 1393 NE ARG A 673 3.354 14.609 -7.916 1.00 10.10 N ATOM 1394 CZ ARG A 673 3.522 15.201 -9.106 1.00 52.42 C ATOM 1395 NH1 ARG A 673 3.128 14.591 -10.220 1.00 34.13 N ATOM 1396 NH2 ARG A 673 4.089 16.406 -9.168 1.00 35.44 N ATOM 0 H ARG A 673 2.734 15.069 -3.823 1.00 55.45 H new ATOM 0 HA ARG A 673 2.089 15.740 -6.604 1.00 32.21 H new ATOM 0 HB2 ARG A 673 0.982 13.657 -4.703 1.00 63.34 H new ATOM 0 HB3 ARG A 673 0.397 13.928 -6.332 1.00 63.34 H new ATOM 0 HG2 ARG A 673 3.237 13.077 -5.625 1.00 4.41 H new ATOM 0 HG3 ARG A 673 1.967 11.990 -6.152 1.00 4.41 H new ATOM 0 HD2 ARG A 673 3.380 12.508 -8.059 1.00 62.04 H new ATOM 0 HD3 ARG A 673 1.807 13.236 -8.315 1.00 62.04 H new ATOM 0 HE ARG A 673 3.696 15.103 -7.092 1.00 10.10 H new ATOM 0 HH11 ARG A 673 2.696 13.668 -10.171 1.00 34.13 H new ATOM 0 HH12 ARG A 673 3.258 15.046 -11.124 1.00 34.13 H new ATOM 0 HH21 ARG A 673 4.392 16.872 -8.313 1.00 35.44 H new ATOM 0 HH22 ARG A 673 4.220 16.862 -10.071 1.00 35.44 H new ATOM 1410 N GLY A 674 0.662 16.948 -4.076 1.00 44.31 N ATOM 1411 CA GLY A 674 -0.390 17.850 -3.619 1.00 21.20 C ATOM 1412 C GLY A 674 -1.522 17.098 -2.954 1.00 33.45 C ATOM 1413 O GLY A 674 -2.096 17.554 -1.956 1.00 41.20 O ATOM 0 H GLY A 674 1.438 16.833 -3.424 1.00 44.31 H new ATOM 0 HA2 GLY A 674 0.029 18.572 -2.918 1.00 21.20 H new ATOM 0 HA3 GLY A 674 -0.777 18.416 -4.466 1.00 21.20 H new ATOM 1417 N MET A 675 -1.834 15.955 -3.501 1.00 71.41 N ATOM 1418 CA MET A 675 -2.850 15.094 -2.979 1.00 10.32 C ATOM 1419 C MET A 675 -2.336 13.675 -2.935 1.00 5.30 C ATOM 1420 O MET A 675 -1.592 13.234 -3.823 1.00 11.43 O ATOM 1421 CB MET A 675 -4.152 15.216 -3.794 1.00 1.33 C ATOM 1422 CG MET A 675 -3.991 14.918 -5.282 1.00 43.42 C ATOM 1423 SD MET A 675 -5.470 15.308 -6.250 1.00 73.51 S ATOM 1424 CE MET A 675 -6.672 14.197 -5.522 1.00 23.22 C ATOM 0 H MET A 675 -1.378 15.592 -4.338 1.00 71.41 H new ATOM 0 HA MET A 675 -3.092 15.399 -1.961 1.00 10.32 H new ATOM 0 HB2 MET A 675 -4.893 14.534 -3.377 1.00 1.33 H new ATOM 0 HB3 MET A 675 -4.546 16.226 -3.678 1.00 1.33 H new ATOM 0 HG2 MET A 675 -3.148 15.489 -5.671 1.00 43.42 H new ATOM 0 HG3 MET A 675 -3.748 13.863 -5.411 1.00 43.42 H new ATOM 0 HE1 MET A 675 -7.591 14.221 -6.107 1.00 23.22 H new ATOM 0 HE2 MET A 675 -6.273 13.183 -5.515 1.00 23.22 H new ATOM 0 HE3 MET A 675 -6.885 14.510 -4.500 1.00 23.22 H new ATOM 1434 N ILE A 676 -2.701 12.993 -1.907 1.00 24.13 N ATOM 1435 CA ILE A 676 -2.275 11.662 -1.664 1.00 30.23 C ATOM 1436 C ILE A 676 -3.447 10.690 -1.812 1.00 4.43 C ATOM 1437 O ILE A 676 -4.557 10.974 -1.400 1.00 54.11 O ATOM 1438 CB ILE A 676 -1.607 11.539 -0.259 1.00 44.02 C ATOM 1439 CG1 ILE A 676 -1.258 10.074 0.030 1.00 41.54 C ATOM 1440 CG2 ILE A 676 -2.502 12.134 0.836 1.00 10.23 C ATOM 1441 CD1 ILE A 676 -0.544 9.839 1.308 1.00 31.41 C ATOM 0 H ILE A 676 -3.325 13.360 -1.189 1.00 24.13 H new ATOM 0 HA ILE A 676 -1.524 11.398 -2.408 1.00 30.23 H new ATOM 0 HB ILE A 676 -0.682 12.116 -0.261 1.00 44.02 H new ATOM 0 HG12 ILE A 676 -2.179 9.491 0.033 1.00 41.54 H new ATOM 0 HG13 ILE A 676 -0.644 9.695 -0.787 1.00 41.54 H new ATOM 0 HG21 ILE A 676 -2.009 12.033 1.803 1.00 10.23 H new ATOM 0 HG22 ILE A 676 -2.680 13.189 0.627 1.00 10.23 H new ATOM 0 HG23 ILE A 676 -3.454 11.603 0.857 1.00 10.23 H new ATOM 0 HD11 ILE A 676 -0.342 8.774 1.421 1.00 31.41 H new ATOM 0 HD12 ILE A 676 0.397 10.389 1.305 1.00 31.41 H new ATOM 0 HD13 ILE A 676 -1.162 10.181 2.138 1.00 31.41 H new ATOM 1453 N GLN A 677 -3.182 9.584 -2.428 1.00 60.32 N ATOM 1454 CA GLN A 677 -4.177 8.569 -2.690 1.00 71.03 C ATOM 1455 C GLN A 677 -4.013 7.388 -1.724 1.00 43.32 C ATOM 1456 O GLN A 677 -2.911 6.983 -1.436 1.00 24.22 O ATOM 1457 CB GLN A 677 -4.020 8.105 -4.131 1.00 64.32 C ATOM 1458 CG GLN A 677 -4.990 7.041 -4.545 1.00 54.30 C ATOM 1459 CD GLN A 677 -4.830 6.641 -5.986 1.00 20.52 C ATOM 1460 OE1 GLN A 677 -4.071 5.735 -6.308 1.00 52.22 O ATOM 1461 NE2 GLN A 677 -5.531 7.312 -6.860 1.00 53.11 N ATOM 0 H GLN A 677 -2.252 9.346 -2.774 1.00 60.32 H new ATOM 0 HA GLN A 677 -5.174 8.982 -2.539 1.00 71.03 H new ATOM 0 HB2 GLN A 677 -4.137 8.964 -4.792 1.00 64.32 H new ATOM 0 HB3 GLN A 677 -3.006 7.731 -4.271 1.00 64.32 H new ATOM 0 HG2 GLN A 677 -4.854 6.165 -3.911 1.00 54.30 H new ATOM 0 HG3 GLN A 677 -6.007 7.398 -4.382 1.00 54.30 H new ATOM 0 HE21 GLN A 677 -6.152 8.060 -6.550 1.00 53.11 H new ATOM 0 HE22 GLN A 677 -5.458 7.088 -7.852 1.00 53.11 H new ATOM 1470 N LEU A 678 -5.104 6.869 -1.216 1.00 71.32 N ATOM 1471 CA LEU A 678 -5.065 5.736 -0.298 1.00 5.00 C ATOM 1472 C LEU A 678 -6.017 4.671 -0.776 1.00 35.43 C ATOM 1473 O LEU A 678 -7.163 4.963 -1.104 1.00 23.32 O ATOM 1474 CB LEU A 678 -5.489 6.123 1.145 1.00 72.31 C ATOM 1475 CG LEU A 678 -4.733 7.248 1.863 1.00 14.32 C ATOM 1476 CD1 LEU A 678 -3.248 6.984 1.878 1.00 74.44 C ATOM 1477 CD2 LEU A 678 -5.065 8.614 1.279 1.00 53.44 C ATOM 0 H LEU A 678 -6.043 7.211 -1.420 1.00 71.32 H new ATOM 0 HA LEU A 678 -4.034 5.383 -0.279 1.00 5.00 H new ATOM 0 HB2 LEU A 678 -6.543 6.400 1.116 1.00 72.31 H new ATOM 0 HB3 LEU A 678 -5.412 5.228 1.762 1.00 72.31 H new ATOM 0 HG LEU A 678 -5.070 7.262 2.900 1.00 14.32 H new ATOM 0 HD11 LEU A 678 -2.739 7.798 2.393 1.00 74.44 H new ATOM 0 HD12 LEU A 678 -3.050 6.046 2.397 1.00 74.44 H new ATOM 0 HD13 LEU A 678 -2.880 6.916 0.854 1.00 74.44 H new ATOM 0 HD21 LEU A 678 -4.509 9.384 1.815 1.00 53.44 H new ATOM 0 HD22 LEU A 678 -4.790 8.636 0.225 1.00 53.44 H new ATOM 0 HD23 LEU A 678 -6.134 8.802 1.379 1.00 53.44 H new ATOM 1489 N ILE A 679 -5.563 3.463 -0.823 1.00 52.44 N ATOM 1490 CA ILE A 679 -6.398 2.356 -1.192 1.00 31.35 C ATOM 1491 C ILE A 679 -6.449 1.393 -0.060 1.00 21.54 C ATOM 1492 O ILE A 679 -5.425 0.834 0.348 1.00 50.34 O ATOM 1493 CB ILE A 679 -5.905 1.662 -2.470 1.00 21.42 C ATOM 1494 CG1 ILE A 679 -5.952 2.668 -3.598 1.00 62.31 C ATOM 1495 CG2 ILE A 679 -6.804 0.455 -2.798 1.00 41.42 C ATOM 1496 CD1 ILE A 679 -5.254 2.244 -4.858 1.00 64.20 C ATOM 0 H ILE A 679 -4.599 3.209 -0.607 1.00 52.44 H new ATOM 0 HA ILE A 679 -7.398 2.734 -1.406 1.00 31.35 H new ATOM 0 HB ILE A 679 -4.887 1.299 -2.332 1.00 21.42 H new ATOM 0 HG12 ILE A 679 -6.995 2.880 -3.832 1.00 62.31 H new ATOM 0 HG13 ILE A 679 -5.508 3.601 -3.251 1.00 62.31 H new ATOM 0 HG21 ILE A 679 -6.445 -0.030 -3.706 1.00 41.42 H new ATOM 0 HG22 ILE A 679 -6.775 -0.255 -1.972 1.00 41.42 H new ATOM 0 HG23 ILE A 679 -7.829 0.795 -2.949 1.00 41.42 H new ATOM 0 HD11 ILE A 679 -5.344 3.032 -5.606 1.00 64.20 H new ATOM 0 HD12 ILE A 679 -4.200 2.062 -4.647 1.00 64.20 H new ATOM 0 HD13 ILE A 679 -5.711 1.330 -5.237 1.00 64.20 H new ATOM 1508 N VAL A 680 -7.610 1.233 0.452 1.00 32.20 N ATOM 1509 CA VAL A 680 -7.862 0.367 1.575 1.00 14.41 C ATOM 1510 C VAL A 680 -8.972 -0.602 1.238 1.00 64.14 C ATOM 1511 O VAL A 680 -9.775 -0.359 0.310 1.00 1.30 O ATOM 1512 CB VAL A 680 -8.252 1.174 2.842 1.00 60.24 C ATOM 1513 CG1 VAL A 680 -7.086 2.023 3.327 1.00 23.01 C ATOM 1514 CG2 VAL A 680 -9.457 2.054 2.562 1.00 31.54 C ATOM 0 H VAL A 680 -8.444 1.706 0.104 1.00 32.20 H new ATOM 0 HA VAL A 680 -6.942 -0.178 1.786 1.00 14.41 H new ATOM 0 HB VAL A 680 -8.510 0.463 3.627 1.00 60.24 H new ATOM 0 HG11 VAL A 680 -7.385 2.579 4.216 1.00 23.01 H new ATOM 0 HG12 VAL A 680 -6.242 1.377 3.570 1.00 23.01 H new ATOM 0 HG13 VAL A 680 -6.794 2.722 2.543 1.00 23.01 H new ATOM 0 HG21 VAL A 680 -9.716 2.613 3.461 1.00 31.54 H new ATOM 0 HG22 VAL A 680 -9.220 2.751 1.758 1.00 31.54 H new ATOM 0 HG23 VAL A 680 -10.301 1.431 2.265 1.00 31.54 H new ATOM 1524 N ALA A 681 -9.016 -1.675 1.952 1.00 13.44 N ATOM 1525 CA ALA A 681 -10.014 -2.673 1.769 1.00 24.24 C ATOM 1526 C ALA A 681 -10.820 -2.798 3.031 1.00 63.01 C ATOM 1527 O ALA A 681 -10.266 -3.068 4.098 1.00 32.25 O ATOM 1528 CB ALA A 681 -9.353 -4.005 1.463 1.00 40.45 C ATOM 0 H ALA A 681 -8.347 -1.887 2.693 1.00 13.44 H new ATOM 0 HA ALA A 681 -10.663 -2.393 0.940 1.00 24.24 H new ATOM 0 HB1 ALA A 681 -10.119 -4.768 1.323 1.00 40.45 H new ATOM 0 HB2 ALA A 681 -8.759 -3.916 0.553 1.00 40.45 H new ATOM 0 HB3 ALA A 681 -8.705 -4.289 2.293 1.00 40.45 H new ATOM 1534 N ARG A 682 -12.118 -2.648 2.919 1.00 15.51 N ATOM 1535 CA ARG A 682 -12.965 -2.777 4.068 1.00 71.25 C ATOM 1536 C ARG A 682 -13.768 -4.034 3.945 1.00 52.10 C ATOM 1537 O ARG A 682 -14.481 -4.246 2.960 1.00 50.12 O ATOM 1538 CB ARG A 682 -13.812 -1.488 4.344 1.00 44.53 C ATOM 1539 CG ARG A 682 -14.841 -1.042 3.288 1.00 55.53 C ATOM 1540 CD ARG A 682 -16.187 -1.768 3.393 1.00 51.53 C ATOM 1541 NE ARG A 682 -17.148 -1.255 2.393 1.00 64.31 N ATOM 1542 CZ ARG A 682 -18.491 -1.283 2.503 1.00 33.32 C ATOM 1543 NH1 ARG A 682 -19.068 -1.761 3.598 1.00 41.42 N ATOM 1544 NH2 ARG A 682 -19.248 -0.818 1.505 1.00 53.13 N ATOM 0 H ARG A 682 -12.604 -2.438 2.047 1.00 15.51 H new ATOM 0 HA ARG A 682 -12.350 -2.869 4.963 1.00 71.25 H new ATOM 0 HB2 ARG A 682 -14.345 -1.637 5.283 1.00 44.53 H new ATOM 0 HB3 ARG A 682 -13.117 -0.662 4.499 1.00 44.53 H new ATOM 0 HG2 ARG A 682 -15.008 0.031 3.387 1.00 55.53 H new ATOM 0 HG3 ARG A 682 -14.425 -1.209 2.295 1.00 55.53 H new ATOM 0 HD2 ARG A 682 -16.039 -2.838 3.245 1.00 51.53 H new ATOM 0 HD3 ARG A 682 -16.596 -1.639 4.395 1.00 51.53 H new ATOM 0 HE ARG A 682 -16.760 -0.843 1.544 1.00 64.31 H new ATOM 0 HH11 ARG A 682 -18.494 -2.111 4.365 1.00 41.42 H new ATOM 0 HH12 ARG A 682 -20.085 -1.778 3.672 1.00 41.42 H new ATOM 0 HH21 ARG A 682 -18.809 -0.444 0.664 1.00 53.13 H new ATOM 0 HH22 ARG A 682 -20.265 -0.837 1.584 1.00 53.13 H new ATOM 1839 N GLU B 780 4.263 -2.654 15.953 1.00 61.54 N ATOM 1840 CA GLU B 780 4.867 -1.628 15.175 1.00 1.52 C ATOM 1841 C GLU B 780 3.819 -0.745 14.656 1.00 60.32 C ATOM 1842 O GLU B 780 3.054 -1.110 13.776 1.00 31.41 O ATOM 1843 CB GLU B 780 5.716 -2.198 14.066 1.00 61.25 C ATOM 1844 CG GLU B 780 6.950 -2.866 14.583 1.00 44.44 C ATOM 1845 CD GLU B 780 7.932 -1.885 15.177 1.00 12.40 C ATOM 1846 OE1 GLU B 780 8.752 -1.308 14.420 1.00 1.22 O ATOM 1847 OE2 GLU B 780 7.918 -1.673 16.406 1.00 41.12 O ATOM 0 HA GLU B 780 5.540 -1.049 15.807 1.00 1.52 H new ATOM 0 HB2 GLU B 780 5.129 -2.917 13.494 1.00 61.25 H new ATOM 0 HB3 GLU B 780 5.998 -1.399 13.380 1.00 61.25 H new ATOM 0 HG2 GLU B 780 6.672 -3.600 15.339 1.00 44.44 H new ATOM 0 HG3 GLU B 780 7.432 -3.411 13.771 1.00 44.44 H new ATOM 1854 N GLU B 781 3.763 0.375 15.238 1.00 3.45 N ATOM 1855 CA GLU B 781 2.780 1.368 14.943 1.00 64.01 C ATOM 1856 C GLU B 781 3.398 2.480 14.165 1.00 1.30 C ATOM 1857 O GLU B 781 4.543 2.873 14.416 1.00 43.10 O ATOM 1858 CB GLU B 781 2.196 1.886 16.239 1.00 72.12 C ATOM 1859 CG GLU B 781 1.449 0.823 17.007 1.00 44.25 C ATOM 1860 CD GLU B 781 1.135 1.199 18.422 1.00 51.02 C ATOM 1861 OE1 GLU B 781 2.067 1.423 19.215 1.00 54.33 O ATOM 1862 OE2 GLU B 781 -0.054 1.250 18.772 1.00 21.00 O ATOM 0 H GLU B 781 4.419 0.656 15.966 1.00 3.45 H new ATOM 0 HA GLU B 781 1.983 0.931 14.341 1.00 64.01 H new ATOM 0 HB2 GLU B 781 2.998 2.282 16.862 1.00 72.12 H new ATOM 0 HB3 GLU B 781 1.521 2.714 16.023 1.00 72.12 H new ATOM 0 HG2 GLU B 781 0.518 0.600 16.486 1.00 44.25 H new ATOM 0 HG3 GLU B 781 2.040 -0.093 17.008 1.00 44.25 H new ATOM 1869 N LEU B 782 2.673 2.972 13.226 1.00 51.35 N ATOM 1870 CA LEU B 782 3.133 4.006 12.394 1.00 53.22 C ATOM 1871 C LEU B 782 1.994 4.987 12.186 1.00 11.23 C ATOM 1872 O LEU B 782 0.875 4.597 11.907 1.00 45.44 O ATOM 1873 CB LEU B 782 3.635 3.352 11.086 1.00 64.12 C ATOM 1874 CG LEU B 782 4.315 4.202 10.018 1.00 2.04 C ATOM 1875 CD1 LEU B 782 3.353 5.101 9.329 1.00 25.42 C ATOM 1876 CD2 LEU B 782 5.459 4.974 10.612 1.00 62.14 C ATOM 0 H LEU B 782 1.726 2.656 13.016 1.00 51.35 H new ATOM 0 HA LEU B 782 3.961 4.570 12.824 1.00 53.22 H new ATOM 0 HB2 LEU B 782 4.334 2.564 11.366 1.00 64.12 H new ATOM 0 HB3 LEU B 782 2.779 2.867 10.617 1.00 64.12 H new ATOM 0 HG LEU B 782 4.713 3.528 9.259 1.00 2.04 H new ATOM 0 HD11 LEU B 782 3.879 5.688 8.576 1.00 25.42 H new ATOM 0 HD12 LEU B 782 2.578 4.504 8.848 1.00 25.42 H new ATOM 0 HD13 LEU B 782 2.895 5.771 10.057 1.00 25.42 H new ATOM 0 HD21 LEU B 782 5.934 5.575 9.837 1.00 62.14 H new ATOM 0 HD22 LEU B 782 5.086 5.627 11.401 1.00 62.14 H new ATOM 0 HD23 LEU B 782 6.188 4.280 11.030 1.00 62.14 H new ATOM 1888 N ILE B 783 2.273 6.226 12.378 1.00 52.12 N ATOM 1889 CA ILE B 783 1.287 7.269 12.189 1.00 71.42 C ATOM 1890 C ILE B 783 1.520 7.941 10.854 1.00 42.24 C ATOM 1891 O ILE B 783 2.659 8.275 10.513 1.00 24.11 O ATOM 1892 CB ILE B 783 1.305 8.364 13.334 1.00 23.41 C ATOM 1893 CG1 ILE B 783 0.910 7.792 14.723 1.00 3.32 C ATOM 1894 CG2 ILE B 783 0.412 9.561 12.981 1.00 12.31 C ATOM 1895 CD1 ILE B 783 1.907 6.832 15.346 1.00 4.04 C ATOM 0 H ILE B 783 3.190 6.563 12.672 1.00 52.12 H new ATOM 0 HA ILE B 783 0.309 6.790 12.223 1.00 71.42 H new ATOM 0 HB ILE B 783 2.338 8.704 13.405 1.00 23.41 H new ATOM 0 HG12 ILE B 783 0.758 8.625 15.409 1.00 3.32 H new ATOM 0 HG13 ILE B 783 -0.048 7.280 14.626 1.00 3.32 H new ATOM 0 HG21 ILE B 783 0.448 10.292 13.788 1.00 12.31 H new ATOM 0 HG22 ILE B 783 0.767 10.021 12.059 1.00 12.31 H new ATOM 0 HG23 ILE B 783 -0.615 9.221 12.845 1.00 12.31 H new ATOM 0 HD11 ILE B 783 1.532 6.494 16.312 1.00 4.04 H new ATOM 0 HD12 ILE B 783 2.044 5.973 14.689 1.00 4.04 H new ATOM 0 HD13 ILE B 783 2.862 7.339 15.485 1.00 4.04 H new ATOM 1907 N ILE B 784 0.472 8.119 10.098 1.00 42.24 N ATOM 1908 CA ILE B 784 0.544 8.803 8.868 1.00 54.10 C ATOM 1909 C ILE B 784 -0.383 10.003 8.914 1.00 31.53 C ATOM 1910 O ILE B 784 0.109 11.120 9.050 1.00 38.08 O ATOM 1911 CB ILE B 784 0.273 7.911 7.620 1.00 41.35 C ATOM 1912 CG1 ILE B 784 -1.036 7.135 7.744 1.00 12.43 C ATOM 1913 CG2 ILE B 784 1.446 6.960 7.352 1.00 13.12 C ATOM 1914 CD1 ILE B 784 -1.453 6.489 6.454 1.00 11.43 C ATOM 1915 OXT ILE B 784 -1.596 9.831 8.842 1.00 38.08 O ATOM 0 H ILE B 784 -0.461 7.783 10.336 1.00 42.24 H new ATOM 0 HA ILE B 784 1.575 9.132 8.742 1.00 54.10 H new ATOM 0 HB ILE B 784 0.175 8.581 6.766 1.00 41.35 H new ATOM 0 HG12 ILE B 784 -0.927 6.368 8.511 1.00 12.43 H new ATOM 0 HG13 ILE B 784 -1.823 7.811 8.078 1.00 12.43 H new ATOM 0 HG21 ILE B 784 1.227 6.351 6.475 1.00 13.12 H new ATOM 0 HG22 ILE B 784 2.351 7.540 7.174 1.00 13.12 H new ATOM 0 HG23 ILE B 784 1.594 6.312 8.216 1.00 13.12 H new ATOM 0 HD11 ILE B 784 -2.390 5.952 6.602 1.00 11.43 H new ATOM 0 HD12 ILE B 784 -1.591 7.255 5.691 1.00 11.43 H new ATOM 0 HD13 ILE B 784 -0.681 5.790 6.131 1.00 11.43 H new