USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 708 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 699 ASN : amide:sc= -0.136 X(o=0.034,f=0.13) USER MOD Set 1.2: A 700 SER OG : rot 78:sc= 0.171 USER MOD Set 2.1: A 667 LYS NZ :NH3+ 144:sc= 0.0641 (180deg=-0.249) USER MOD Set 2.2: A 671 THR OG1 : rot -41:sc= 1.33 USER MOD Set 3.1: A 647 ASN : amide:sc= -4.4! C(o=-19!,f=-24!) USER MOD Set 3.2: A 649 GLN : amide:sc= -2.69! C(o=-19!,f=-24!) USER MOD Set 3.3: A 661 CYS SG : rot 100:sc= -6.22! USER MOD Set 3.4: A 702 MET CE :methyl -134:sc= -5.5! (180deg=-11.1!) USER MOD Single : A 625 SER OG : rot 34:sc= 0.273 USER MOD Single : A 626 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 630 HIS : no HD1:sc= -0.0657 X(o=-0.066,f=-0.00067) USER MOD Single : A 631 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 633 ASN : amide:sc= -2.68 K(o=-2.7,f=-1.8) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 SER OG : rot 180:sc= 0 USER MOD Single : A 642 ASN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 645 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0508) USER MOD Single : A 646 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 SER OG : rot -120:sc= 1.07 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 GLN : amide:sc= -1.05 K(o=-1,f=-0.008) USER MOD Single : A 655 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 657 ASN : amide:sc= -2.98 X(o=-3,f=-3.4!) USER MOD Single : A 659 LYS NZ :NH3+ 166:sc= -0.0943 (180deg=-0.457) USER MOD Single : A 660 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 663 LYS NZ :NH3+ 146:sc= 1.1 (180deg=-0.123) USER MOD Single : A 670 THR OG1 : rot 76:sc= -0.195 USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0105) USER MOD Single : A 676 LYS NZ :NH3+ -115:sc= -3.17! (180deg=-4.05!) USER MOD Single : A 678 SER OG : rot 180:sc= 0.00586 USER MOD Single : A 679 SER OG : rot 180:sc= 0 USER MOD Single : A 687 THR OG1 : rot 180:sc= 0.0855 USER MOD Single : A 688 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0132) USER MOD Single : A 690 LYS NZ :NH3+ -154:sc= 1.33 (180deg=1.27) USER MOD Single : A 692 HIS : no HD1:sc= 0.429 K(o=0.43,f=-2.6!) USER MOD Single : A 693 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 LYS NZ :NH3+ -168:sc=-0.00371 (180deg=-0.0731) USER MOD Single : A 701 TYR OH : rot 180:sc= 0 USER MOD Single : A 704 LYS NZ :NH3+ 163:sc= -0.025 (180deg=-0.253) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 625 17.587 7.497 -0.446 1.00 0.89 N ATOM 46 CA SER A 625 16.348 6.916 0.042 1.00 0.85 C ATOM 47 C SER A 625 15.260 6.941 -1.032 1.00 0.73 C ATOM 48 O SER A 625 14.455 6.020 -1.126 1.00 0.72 O ATOM 49 CB SER A 625 15.881 7.664 1.288 1.00 1.01 C ATOM 50 OG SER A 625 16.947 7.809 2.213 1.00 1.35 O ATOM 0 HA SER A 625 16.537 5.873 0.297 1.00 0.85 H new ATOM 0 HB2 SER A 625 15.500 8.646 1.008 1.00 1.01 H new ATOM 0 HB3 SER A 625 15.058 7.124 1.756 1.00 1.01 H new ATOM 0 HG SER A 625 17.791 7.916 1.726 1.00 1.35 H new ATOM 56 N GLN A 626 15.254 7.986 -1.855 1.00 0.72 N ATOM 57 CA GLN A 626 14.279 8.101 -2.934 1.00 0.71 C ATOM 58 C GLN A 626 14.412 6.927 -3.898 1.00 0.60 C ATOM 59 O GLN A 626 13.417 6.365 -4.355 1.00 0.65 O ATOM 60 CB GLN A 626 14.468 9.417 -3.690 1.00 0.81 C ATOM 61 CG GLN A 626 13.434 9.648 -4.777 1.00 1.52 C ATOM 62 CD GLN A 626 13.709 10.901 -5.578 1.00 1.83 C ATOM 63 OE1 GLN A 626 13.243 11.986 -5.236 1.00 2.34 O ATOM 64 NE2 GLN A 626 14.480 10.760 -6.643 1.00 2.37 N ATOM 0 H GLN A 626 15.912 8.763 -1.795 1.00 0.72 H new ATOM 0 HA GLN A 626 13.281 8.088 -2.495 1.00 0.71 H new ATOM 0 HB2 GLN A 626 14.427 10.243 -2.980 1.00 0.81 H new ATOM 0 HB3 GLN A 626 15.462 9.430 -4.137 1.00 0.81 H new ATOM 0 HG2 GLN A 626 13.417 8.788 -5.447 1.00 1.52 H new ATOM 0 HG3 GLN A 626 12.445 9.719 -4.325 1.00 1.52 H new ATOM 0 HE21 GLN A 626 14.845 9.840 -6.890 1.00 2.37 H new ATOM 0 HE22 GLN A 626 14.710 11.571 -7.217 1.00 2.37 H new ATOM 73 N ARG A 627 15.650 6.549 -4.185 1.00 0.56 N ATOM 74 CA ARG A 627 15.914 5.419 -5.056 1.00 0.52 C ATOM 75 C ARG A 627 15.522 4.127 -4.352 1.00 0.40 C ATOM 76 O ARG A 627 15.028 3.188 -4.974 1.00 0.40 O ATOM 77 CB ARG A 627 17.393 5.380 -5.459 1.00 0.66 C ATOM 78 CG ARG A 627 17.761 4.154 -6.274 1.00 1.31 C ATOM 79 CD ARG A 627 19.220 4.165 -6.694 1.00 1.53 C ATOM 80 NE ARG A 627 19.594 2.910 -7.336 1.00 2.41 N ATOM 81 CZ ARG A 627 20.253 2.820 -8.486 1.00 2.91 C ATOM 82 NH1 ARG A 627 20.646 3.914 -9.128 1.00 2.66 N ATOM 83 NH2 ARG A 627 20.528 1.623 -8.992 1.00 4.02 N ATOM 0 H ARG A 627 16.486 7.010 -3.826 1.00 0.56 H new ATOM 0 HA ARG A 627 15.319 5.527 -5.963 1.00 0.52 H new ATOM 0 HB2 ARG A 627 17.629 6.275 -6.035 1.00 0.66 H new ATOM 0 HB3 ARG A 627 18.008 5.408 -4.560 1.00 0.66 H new ATOM 0 HG2 ARG A 627 17.559 3.256 -5.689 1.00 1.31 H new ATOM 0 HG3 ARG A 627 17.129 4.106 -7.161 1.00 1.31 H new ATOM 0 HD2 ARG A 627 19.398 4.994 -7.379 1.00 1.53 H new ATOM 0 HD3 ARG A 627 19.851 4.332 -5.821 1.00 1.53 H new ATOM 0 HE ARG A 627 19.331 2.042 -6.870 1.00 2.41 H new ATOM 0 HH11 ARG A 627 20.443 4.835 -8.739 1.00 2.66 H new ATOM 0 HH12 ARG A 627 21.151 3.834 -10.010 1.00 2.66 H new ATOM 0 HH21 ARG A 627 20.234 0.781 -8.498 1.00 4.02 H new ATOM 0 HH22 ARG A 627 21.034 1.546 -9.875 1.00 4.02 H new ATOM 97 N LEU A 628 15.722 4.104 -3.043 1.00 0.38 N ATOM 98 CA LEU A 628 15.403 2.933 -2.238 1.00 0.36 C ATOM 99 C LEU A 628 13.893 2.708 -2.207 1.00 0.27 C ATOM 100 O LEU A 628 13.432 1.570 -2.254 1.00 0.29 O ATOM 101 CB LEU A 628 15.945 3.099 -0.814 1.00 0.49 C ATOM 102 CG LEU A 628 16.477 1.820 -0.153 1.00 0.62 C ATOM 103 CD1 LEU A 628 15.373 0.817 0.097 1.00 1.13 C ATOM 104 CD2 LEU A 628 17.564 1.194 -1.005 1.00 1.48 C ATOM 0 H LEU A 628 16.106 4.887 -2.513 1.00 0.38 H new ATOM 0 HA LEU A 628 15.877 2.062 -2.690 1.00 0.36 H new ATOM 0 HB2 LEU A 628 16.747 3.837 -0.834 1.00 0.49 H new ATOM 0 HB3 LEU A 628 15.152 3.507 -0.188 1.00 0.49 H new ATOM 0 HG LEU A 628 16.897 2.103 0.812 1.00 0.62 H new ATOM 0 HD11 LEU A 628 15.790 -0.074 0.566 1.00 1.13 H new ATOM 0 HD12 LEU A 628 14.624 1.257 0.756 1.00 1.13 H new ATOM 0 HD13 LEU A 628 14.908 0.545 -0.850 1.00 1.13 H new ATOM 0 HD21 LEU A 628 17.929 0.288 -0.521 1.00 1.48 H new ATOM 0 HD22 LEU A 628 17.159 0.943 -1.985 1.00 1.48 H new ATOM 0 HD23 LEU A 628 18.386 1.900 -1.122 1.00 1.48 H new ATOM 116 N GLU A 629 13.128 3.798 -2.146 1.00 0.29 N ATOM 117 CA GLU A 629 11.672 3.705 -2.174 1.00 0.34 C ATOM 118 C GLU A 629 11.209 3.091 -3.488 1.00 0.30 C ATOM 119 O GLU A 629 10.255 2.328 -3.518 1.00 0.33 O ATOM 120 CB GLU A 629 11.020 5.081 -1.963 1.00 0.50 C ATOM 121 CG GLU A 629 11.260 5.659 -0.576 1.00 0.68 C ATOM 122 CD GLU A 629 10.495 6.945 -0.321 1.00 0.94 C ATOM 123 OE1 GLU A 629 10.978 8.025 -0.733 1.00 1.03 O ATOM 124 OE2 GLU A 629 9.400 6.888 0.274 1.00 1.24 O ATOM 0 H GLU A 629 13.491 4.749 -2.077 1.00 0.29 H new ATOM 0 HA GLU A 629 11.359 3.060 -1.353 1.00 0.34 H new ATOM 0 HB2 GLU A 629 11.406 5.775 -2.709 1.00 0.50 H new ATOM 0 HB3 GLU A 629 9.947 4.996 -2.132 1.00 0.50 H new ATOM 0 HG2 GLU A 629 10.974 4.920 0.172 1.00 0.68 H new ATOM 0 HG3 GLU A 629 12.326 5.847 -0.448 1.00 0.68 H new ATOM 131 N HIS A 630 11.906 3.416 -4.571 1.00 0.29 N ATOM 132 CA HIS A 630 11.636 2.814 -5.875 1.00 0.35 C ATOM 133 C HIS A 630 11.916 1.309 -5.845 1.00 0.27 C ATOM 134 O HIS A 630 11.175 0.521 -6.435 1.00 0.28 O ATOM 135 CB HIS A 630 12.478 3.494 -6.966 1.00 0.47 C ATOM 136 CG HIS A 630 12.254 2.949 -8.348 1.00 1.05 C ATOM 137 ND1 HIS A 630 11.392 3.523 -9.260 1.00 1.52 N ATOM 138 CD2 HIS A 630 12.799 1.880 -8.978 1.00 1.71 C ATOM 139 CE1 HIS A 630 11.417 2.830 -10.383 1.00 2.20 C ATOM 140 NE2 HIS A 630 12.264 1.829 -10.239 1.00 2.35 N ATOM 0 H HIS A 630 12.666 4.096 -4.573 1.00 0.29 H new ATOM 0 HA HIS A 630 10.581 2.962 -6.108 1.00 0.35 H new ATOM 0 HB2 HIS A 630 12.256 4.561 -6.968 1.00 0.47 H new ATOM 0 HB3 HIS A 630 13.533 3.389 -6.713 1.00 0.47 H new ATOM 0 HD2 HIS A 630 13.522 1.194 -8.563 1.00 1.71 H new ATOM 0 HE1 HIS A 630 10.841 3.046 -11.271 1.00 2.20 H new ATOM 0 HE2 HIS A 630 12.485 1.131 -10.950 1.00 2.35 H new ATOM 149 N ASN A 631 12.989 0.909 -5.164 1.00 0.23 N ATOM 150 CA ASN A 631 13.294 -0.514 -4.997 1.00 0.21 C ATOM 151 C ASN A 631 12.241 -1.174 -4.124 1.00 0.15 C ATOM 152 O ASN A 631 11.818 -2.304 -4.379 1.00 0.17 O ATOM 153 CB ASN A 631 14.681 -0.735 -4.385 1.00 0.25 C ATOM 154 CG ASN A 631 15.802 -0.531 -5.383 1.00 0.35 C ATOM 155 OD1 ASN A 631 16.379 0.551 -5.484 1.00 0.59 O ATOM 156 ND2 ASN A 631 16.101 -1.569 -6.145 1.00 0.77 N ATOM 0 H ASN A 631 13.656 1.542 -4.723 1.00 0.23 H new ATOM 0 HA ASN A 631 13.290 -0.967 -5.989 1.00 0.21 H new ATOM 0 HB2 ASN A 631 14.817 -0.050 -3.548 1.00 0.25 H new ATOM 0 HB3 ASN A 631 14.739 -1.746 -3.982 1.00 0.25 H new ATOM 0 HD21 ASN A 631 16.835 -1.490 -6.849 1.00 0.77 H new ATOM 0 HD22 ASN A 631 15.598 -2.449 -6.029 1.00 0.77 H new ATOM 163 N TRP A 632 11.834 -0.466 -3.085 1.00 0.15 N ATOM 164 CA TRP A 632 10.727 -0.901 -2.252 1.00 0.16 C ATOM 165 C TRP A 632 9.453 -1.074 -3.078 1.00 0.20 C ATOM 166 O TRP A 632 8.678 -2.006 -2.855 1.00 0.23 O ATOM 167 CB TRP A 632 10.477 0.108 -1.146 1.00 0.21 C ATOM 168 CG TRP A 632 11.055 -0.275 0.177 1.00 0.21 C ATOM 169 CD1 TRP A 632 12.145 0.264 0.791 1.00 0.24 C ATOM 170 CD2 TRP A 632 10.549 -1.271 1.055 1.00 0.21 C ATOM 171 NE1 TRP A 632 12.352 -0.350 2.003 1.00 0.25 N ATOM 172 CE2 TRP A 632 11.381 -1.298 2.189 1.00 0.23 C ATOM 173 CE3 TRP A 632 9.472 -2.146 0.989 1.00 0.24 C ATOM 174 CZ2 TRP A 632 11.158 -2.174 3.249 1.00 0.26 C ATOM 175 CZ3 TRP A 632 9.252 -3.010 2.034 1.00 0.29 C ATOM 176 CH2 TRP A 632 10.085 -3.022 3.150 1.00 0.29 C ATOM 0 H TRP A 632 12.256 0.417 -2.797 1.00 0.15 H new ATOM 0 HA TRP A 632 10.994 -1.864 -1.816 1.00 0.16 H new ATOM 0 HB2 TRP A 632 10.893 1.070 -1.447 1.00 0.21 H new ATOM 0 HB3 TRP A 632 9.402 0.247 -1.033 1.00 0.21 H new ATOM 0 HD1 TRP A 632 12.756 1.057 0.385 1.00 0.24 H new ATOM 0 HE1 TRP A 632 13.105 -0.135 2.657 1.00 0.25 H new ATOM 0 HE3 TRP A 632 8.818 -2.147 0.130 1.00 0.24 H new ATOM 0 HZ2 TRP A 632 11.804 -2.185 4.114 1.00 0.26 H new ATOM 0 HZ3 TRP A 632 8.417 -3.693 1.989 1.00 0.29 H new ATOM 0 HH2 TRP A 632 9.882 -3.714 3.954 1.00 0.29 H new ATOM 187 N ASN A 633 9.238 -0.164 -4.029 1.00 0.22 N ATOM 188 CA ASN A 633 8.083 -0.241 -4.916 1.00 0.29 C ATOM 189 C ASN A 633 8.092 -1.553 -5.681 1.00 0.29 C ATOM 190 O ASN A 633 7.051 -2.176 -5.868 1.00 0.33 O ATOM 191 CB ASN A 633 8.048 0.924 -5.915 1.00 0.36 C ATOM 192 CG ASN A 633 7.901 2.293 -5.269 1.00 0.41 C ATOM 193 OD1 ASN A 633 8.291 3.306 -5.849 1.00 0.47 O ATOM 194 ND2 ASN A 633 7.365 2.339 -4.059 1.00 0.42 N ATOM 0 H ASN A 633 9.850 0.633 -4.203 1.00 0.22 H new ATOM 0 HA ASN A 633 7.193 -0.181 -4.289 1.00 0.29 H new ATOM 0 HB2 ASN A 633 8.964 0.909 -6.506 1.00 0.36 H new ATOM 0 HB3 ASN A 633 7.220 0.770 -6.607 1.00 0.36 H new ATOM 0 HD21 ASN A 633 7.265 3.234 -3.579 1.00 0.42 H new ATOM 0 HD22 ASN A 633 7.052 1.480 -3.607 1.00 0.42 H new ATOM 201 N LYS A 634 9.279 -1.967 -6.112 1.00 0.30 N ATOM 202 CA LYS A 634 9.450 -3.233 -6.812 1.00 0.36 C ATOM 203 C LYS A 634 8.970 -4.396 -5.945 1.00 0.32 C ATOM 204 O LYS A 634 8.283 -5.301 -6.425 1.00 0.33 O ATOM 205 CB LYS A 634 10.924 -3.424 -7.194 1.00 0.46 C ATOM 206 CG LYS A 634 11.238 -4.782 -7.808 1.00 1.21 C ATOM 207 CD LYS A 634 10.440 -5.027 -9.075 1.00 1.61 C ATOM 208 CE LYS A 634 10.859 -4.091 -10.193 1.00 2.37 C ATOM 209 NZ LYS A 634 9.961 -4.217 -11.367 1.00 3.15 N ATOM 0 H LYS A 634 10.142 -1.439 -5.987 1.00 0.30 H new ATOM 0 HA LYS A 634 8.848 -3.214 -7.721 1.00 0.36 H new ATOM 0 HB2 LYS A 634 11.209 -2.644 -7.900 1.00 0.46 H new ATOM 0 HB3 LYS A 634 11.539 -3.289 -6.304 1.00 0.46 H new ATOM 0 HG2 LYS A 634 12.303 -4.842 -8.032 1.00 1.21 H new ATOM 0 HG3 LYS A 634 11.020 -5.567 -7.084 1.00 1.21 H new ATOM 0 HD2 LYS A 634 10.575 -6.060 -9.396 1.00 1.61 H new ATOM 0 HD3 LYS A 634 9.378 -4.894 -8.868 1.00 1.61 H new ATOM 0 HE2 LYS A 634 10.847 -3.062 -9.832 1.00 2.37 H new ATOM 0 HE3 LYS A 634 11.884 -4.313 -10.491 1.00 2.37 H new ATOM 0 HZ1 LYS A 634 10.273 -3.565 -12.114 1.00 3.15 H new ATOM 0 HZ2 LYS A 634 9.992 -5.193 -11.724 1.00 3.15 H new ATOM 0 HZ3 LYS A 634 8.988 -3.982 -11.086 1.00 3.15 H new ATOM 223 N PHE A 635 9.329 -4.352 -4.668 1.00 0.30 N ATOM 224 CA PHE A 635 8.912 -5.372 -3.711 1.00 0.30 C ATOM 225 C PHE A 635 7.390 -5.441 -3.597 1.00 0.27 C ATOM 226 O PHE A 635 6.794 -6.497 -3.790 1.00 0.27 O ATOM 227 CB PHE A 635 9.538 -5.091 -2.341 1.00 0.32 C ATOM 228 CG PHE A 635 9.026 -5.973 -1.236 1.00 0.32 C ATOM 229 CD1 PHE A 635 9.070 -7.352 -1.351 1.00 0.39 C ATOM 230 CD2 PHE A 635 8.501 -5.420 -0.081 1.00 0.33 C ATOM 231 CE1 PHE A 635 8.601 -8.159 -0.333 1.00 0.42 C ATOM 232 CE2 PHE A 635 8.031 -6.222 0.942 1.00 0.35 C ATOM 233 CZ PHE A 635 8.082 -7.594 0.815 1.00 0.37 C ATOM 0 H PHE A 635 9.912 -3.616 -4.268 1.00 0.30 H new ATOM 0 HA PHE A 635 9.261 -6.339 -4.073 1.00 0.30 H new ATOM 0 HB2 PHE A 635 10.619 -5.212 -2.416 1.00 0.32 H new ATOM 0 HB3 PHE A 635 9.352 -4.050 -2.076 1.00 0.32 H new ATOM 0 HD1 PHE A 635 9.475 -7.801 -2.246 1.00 0.39 H new ATOM 0 HD2 PHE A 635 8.458 -4.346 0.023 1.00 0.33 H new ATOM 0 HE1 PHE A 635 8.640 -9.233 -0.435 1.00 0.42 H new ATOM 0 HE2 PHE A 635 7.625 -5.775 1.838 1.00 0.35 H new ATOM 0 HZ PHE A 635 7.717 -8.225 1.612 1.00 0.37 H new ATOM 243 N PHE A 636 6.763 -4.310 -3.303 1.00 0.26 N ATOM 244 CA PHE A 636 5.322 -4.277 -3.097 1.00 0.26 C ATOM 245 C PHE A 636 4.569 -4.587 -4.387 1.00 0.24 C ATOM 246 O PHE A 636 3.522 -5.233 -4.363 1.00 0.25 O ATOM 247 CB PHE A 636 4.891 -2.924 -2.534 1.00 0.28 C ATOM 248 CG PHE A 636 5.342 -2.694 -1.120 1.00 0.28 C ATOM 249 CD1 PHE A 636 5.192 -3.671 -0.149 1.00 0.37 C ATOM 250 CD2 PHE A 636 5.918 -1.488 -0.760 1.00 0.31 C ATOM 251 CE1 PHE A 636 5.611 -3.445 1.144 1.00 0.39 C ATOM 252 CE2 PHE A 636 6.335 -1.258 0.526 1.00 0.35 C ATOM 253 CZ PHE A 636 6.166 -2.302 1.495 1.00 0.36 C ATOM 0 H PHE A 636 7.227 -3.407 -3.202 1.00 0.26 H new ATOM 0 HA PHE A 636 5.071 -5.051 -2.372 1.00 0.26 H new ATOM 0 HB2 PHE A 636 5.289 -2.132 -3.168 1.00 0.28 H new ATOM 0 HB3 PHE A 636 3.804 -2.851 -2.577 1.00 0.28 H new ATOM 0 HD1 PHE A 636 4.743 -4.618 -0.408 1.00 0.37 H new ATOM 0 HD2 PHE A 636 6.041 -0.715 -1.504 1.00 0.31 H new ATOM 0 HE1 PHE A 636 5.482 -4.220 1.885 1.00 0.39 H new ATOM 0 HE2 PHE A 636 6.780 -0.314 0.803 1.00 0.35 H new ATOM 0 HZ PHE A 636 6.494 -2.151 2.513 1.00 0.36 H new ATOM 263 N ALA A 637 5.122 -4.150 -5.510 1.00 0.26 N ATOM 264 CA ALA A 637 4.521 -4.393 -6.818 1.00 0.26 C ATOM 265 C ALA A 637 4.416 -5.884 -7.120 1.00 0.24 C ATOM 266 O ALA A 637 3.624 -6.303 -7.965 1.00 0.26 O ATOM 267 CB ALA A 637 5.318 -3.694 -7.905 1.00 0.31 C ATOM 0 H ALA A 637 5.993 -3.621 -5.543 1.00 0.26 H new ATOM 0 HA ALA A 637 3.511 -3.984 -6.797 1.00 0.26 H new ATOM 0 HB1 ALA A 637 4.857 -3.885 -8.874 1.00 0.31 H new ATOM 0 HB2 ALA A 637 5.330 -2.621 -7.714 1.00 0.31 H new ATOM 0 HB3 ALA A 637 6.340 -4.074 -7.908 1.00 0.31 H new ATOM 273 N SER A 638 5.229 -6.679 -6.447 1.00 0.23 N ATOM 274 CA SER A 638 5.254 -8.113 -6.673 1.00 0.25 C ATOM 275 C SER A 638 3.957 -8.778 -6.196 1.00 0.23 C ATOM 276 O SER A 638 3.393 -9.620 -6.898 1.00 0.28 O ATOM 277 CB SER A 638 6.463 -8.732 -5.968 1.00 0.28 C ATOM 278 OG SER A 638 6.592 -10.109 -6.272 1.00 0.96 O ATOM 0 H SER A 638 5.884 -6.353 -5.736 1.00 0.23 H new ATOM 0 HA SER A 638 5.338 -8.286 -7.746 1.00 0.25 H new ATOM 0 HB2 SER A 638 7.369 -8.206 -6.268 1.00 0.28 H new ATOM 0 HB3 SER A 638 6.362 -8.604 -4.890 1.00 0.28 H new ATOM 0 HG SER A 638 7.374 -10.475 -5.808 1.00 0.96 H new ATOM 284 N PHE A 639 3.465 -8.389 -5.021 1.00 0.21 N ATOM 285 CA PHE A 639 2.291 -9.045 -4.450 1.00 0.23 C ATOM 286 C PHE A 639 1.054 -8.158 -4.441 1.00 0.22 C ATOM 287 O PHE A 639 -0.049 -8.637 -4.706 1.00 0.25 O ATOM 288 CB PHE A 639 2.575 -9.566 -3.038 1.00 0.26 C ATOM 289 CG PHE A 639 3.271 -8.593 -2.126 1.00 0.25 C ATOM 290 CD1 PHE A 639 2.554 -7.691 -1.350 1.00 0.24 C ATOM 291 CD2 PHE A 639 4.649 -8.612 -2.023 1.00 0.28 C ATOM 292 CE1 PHE A 639 3.206 -6.832 -0.491 1.00 0.27 C ATOM 293 CE2 PHE A 639 5.303 -7.751 -1.171 1.00 0.32 C ATOM 294 CZ PHE A 639 4.582 -6.863 -0.402 1.00 0.27 C ATOM 0 H PHE A 639 3.854 -7.635 -4.454 1.00 0.21 H new ATOM 0 HA PHE A 639 2.076 -9.889 -5.105 1.00 0.23 H new ATOM 0 HB2 PHE A 639 1.631 -9.858 -2.579 1.00 0.26 H new ATOM 0 HB3 PHE A 639 3.184 -10.467 -3.116 1.00 0.26 H new ATOM 0 HD1 PHE A 639 1.477 -7.662 -1.420 1.00 0.24 H new ATOM 0 HD2 PHE A 639 5.219 -9.310 -2.618 1.00 0.28 H new ATOM 0 HE1 PHE A 639 2.640 -6.136 0.111 1.00 0.27 H new ATOM 0 HE2 PHE A 639 6.381 -7.771 -1.105 1.00 0.32 H new ATOM 0 HZ PHE A 639 5.095 -6.191 0.270 1.00 0.27 H new ATOM 304 N VAL A 640 1.234 -6.872 -4.169 1.00 0.22 N ATOM 305 CA VAL A 640 0.105 -5.965 -3.964 1.00 0.24 C ATOM 306 C VAL A 640 -0.910 -5.978 -5.124 1.00 0.21 C ATOM 307 O VAL A 640 -2.097 -6.229 -4.894 1.00 0.24 O ATOM 308 CB VAL A 640 0.590 -4.520 -3.696 1.00 0.29 C ATOM 309 CG1 VAL A 640 -0.542 -3.530 -3.898 1.00 0.34 C ATOM 310 CG2 VAL A 640 1.151 -4.396 -2.287 1.00 0.34 C ATOM 0 H VAL A 640 2.150 -6.431 -4.085 1.00 0.22 H new ATOM 0 HA VAL A 640 -0.417 -6.339 -3.083 1.00 0.24 H new ATOM 0 HB VAL A 640 1.383 -4.291 -4.408 1.00 0.29 H new ATOM 0 HG11 VAL A 640 -0.181 -2.520 -3.705 1.00 0.34 H new ATOM 0 HG12 VAL A 640 -0.904 -3.596 -4.924 1.00 0.34 H new ATOM 0 HG13 VAL A 640 -1.355 -3.762 -3.211 1.00 0.34 H new ATOM 0 HG21 VAL A 640 1.487 -3.373 -2.118 1.00 0.34 H new ATOM 0 HG22 VAL A 640 0.376 -4.648 -1.563 1.00 0.34 H new ATOM 0 HG23 VAL A 640 1.993 -5.078 -2.169 1.00 0.34 H new ATOM 320 N PRO A 641 -0.479 -5.739 -6.384 1.00 0.22 N ATOM 321 CA PRO A 641 -1.397 -5.688 -7.528 1.00 0.27 C ATOM 322 C PRO A 641 -2.117 -7.009 -7.769 1.00 0.30 C ATOM 323 O PRO A 641 -3.262 -7.023 -8.204 1.00 0.42 O ATOM 324 CB PRO A 641 -0.489 -5.356 -8.717 1.00 0.36 C ATOM 325 CG PRO A 641 0.739 -4.775 -8.112 1.00 0.56 C ATOM 326 CD PRO A 641 0.909 -5.475 -6.797 1.00 0.24 C ATOM 0 HA PRO A 641 -2.190 -4.959 -7.363 1.00 0.27 H new ATOM 0 HB2 PRO A 641 -0.258 -6.248 -9.299 1.00 0.36 H new ATOM 0 HB3 PRO A 641 -0.968 -4.649 -9.394 1.00 0.36 H new ATOM 0 HG2 PRO A 641 1.605 -4.932 -8.755 1.00 0.56 H new ATOM 0 HG3 PRO A 641 0.636 -3.699 -7.973 1.00 0.56 H new ATOM 0 HD2 PRO A 641 1.482 -6.396 -6.901 1.00 0.24 H new ATOM 0 HD3 PRO A 641 1.435 -4.853 -6.073 1.00 0.24 H new ATOM 334 N ASN A 642 -1.448 -8.118 -7.478 1.00 0.30 N ATOM 335 CA ASN A 642 -2.015 -9.438 -7.733 1.00 0.37 C ATOM 336 C ASN A 642 -3.072 -9.796 -6.693 1.00 0.33 C ATOM 337 O ASN A 642 -4.049 -10.476 -7.003 1.00 0.38 O ATOM 338 CB ASN A 642 -0.916 -10.504 -7.763 1.00 0.49 C ATOM 339 CG ASN A 642 0.051 -10.301 -8.912 1.00 0.98 C ATOM 340 OD1 ASN A 642 -0.157 -10.805 -10.019 1.00 1.70 O ATOM 341 ND2 ASN A 642 1.120 -9.563 -8.657 1.00 0.95 N ATOM 0 H ASN A 642 -0.515 -8.131 -7.066 1.00 0.30 H new ATOM 0 HA ASN A 642 -2.497 -9.408 -8.710 1.00 0.37 H new ATOM 0 HB2 ASN A 642 -0.367 -10.484 -6.821 1.00 0.49 H new ATOM 0 HB3 ASN A 642 -1.372 -11.491 -7.845 1.00 0.49 H new ATOM 0 HD21 ASN A 642 1.809 -9.393 -9.390 1.00 0.95 H new ATOM 0 HD22 ASN A 642 1.255 -9.164 -7.728 1.00 0.95 H new ATOM 348 N LEU A 643 -2.872 -9.340 -5.462 1.00 0.29 N ATOM 349 CA LEU A 643 -3.822 -9.610 -4.387 1.00 0.31 C ATOM 350 C LEU A 643 -5.094 -8.781 -4.548 1.00 0.28 C ATOM 351 O LEU A 643 -6.189 -9.330 -4.638 1.00 0.33 O ATOM 352 CB LEU A 643 -3.183 -9.342 -3.012 1.00 0.33 C ATOM 353 CG LEU A 643 -2.497 -10.548 -2.354 1.00 0.57 C ATOM 354 CD1 LEU A 643 -1.365 -11.082 -3.219 1.00 1.37 C ATOM 355 CD2 LEU A 643 -1.980 -10.174 -0.974 1.00 1.24 C ATOM 0 H LEU A 643 -2.064 -8.784 -5.183 1.00 0.29 H new ATOM 0 HA LEU A 643 -4.094 -10.664 -4.447 1.00 0.31 H new ATOM 0 HB2 LEU A 643 -2.449 -8.544 -3.122 1.00 0.33 H new ATOM 0 HB3 LEU A 643 -3.956 -8.973 -2.338 1.00 0.33 H new ATOM 0 HG LEU A 643 -3.239 -11.340 -2.250 1.00 0.57 H new ATOM 0 HD11 LEU A 643 -0.901 -11.935 -2.724 1.00 1.37 H new ATOM 0 HD12 LEU A 643 -1.762 -11.394 -4.185 1.00 1.37 H new ATOM 0 HD13 LEU A 643 -0.621 -10.300 -3.368 1.00 1.37 H new ATOM 0 HD21 LEU A 643 -1.496 -11.039 -0.520 1.00 1.24 H new ATOM 0 HD22 LEU A 643 -1.260 -9.361 -1.063 1.00 1.24 H new ATOM 0 HD23 LEU A 643 -2.813 -9.854 -0.348 1.00 1.24 H new ATOM 367 N ILE A 644 -4.938 -7.467 -4.621 1.00 0.26 N ATOM 368 CA ILE A 644 -6.076 -6.543 -4.622 1.00 0.29 C ATOM 369 C ILE A 644 -6.821 -6.535 -5.958 1.00 0.36 C ATOM 370 O ILE A 644 -7.974 -6.117 -6.023 1.00 0.47 O ATOM 371 CB ILE A 644 -5.637 -5.117 -4.247 1.00 0.33 C ATOM 372 CG1 ILE A 644 -4.819 -5.166 -2.961 1.00 0.51 C ATOM 373 CG2 ILE A 644 -6.840 -4.193 -4.069 1.00 0.41 C ATOM 374 CD1 ILE A 644 -4.267 -3.820 -2.533 1.00 0.67 C ATOM 0 H ILE A 644 -4.029 -7.009 -4.681 1.00 0.26 H new ATOM 0 HA ILE A 644 -6.769 -6.907 -3.863 1.00 0.29 H new ATOM 0 HB ILE A 644 -5.029 -4.716 -5.058 1.00 0.33 H new ATOM 0 HG12 ILE A 644 -5.443 -5.563 -2.160 1.00 0.51 H new ATOM 0 HG13 ILE A 644 -3.991 -5.862 -3.095 1.00 0.51 H new ATOM 0 HG21 ILE A 644 -6.495 -3.193 -3.804 1.00 0.41 H new ATOM 0 HG22 ILE A 644 -7.405 -4.147 -5.000 1.00 0.41 H new ATOM 0 HG23 ILE A 644 -7.480 -4.578 -3.275 1.00 0.41 H new ATOM 0 HD11 ILE A 644 -3.697 -3.937 -1.611 1.00 0.67 H new ATOM 0 HD12 ILE A 644 -3.616 -3.429 -3.315 1.00 0.67 H new ATOM 0 HD13 ILE A 644 -5.090 -3.126 -2.365 1.00 0.67 H new ATOM 386 N LYS A 645 -6.147 -6.947 -7.030 1.00 0.42 N ATOM 387 CA LYS A 645 -6.779 -7.042 -8.354 1.00 0.60 C ATOM 388 C LYS A 645 -8.155 -7.710 -8.269 1.00 0.68 C ATOM 389 O LYS A 645 -9.087 -7.332 -8.986 1.00 0.81 O ATOM 390 CB LYS A 645 -5.878 -7.833 -9.307 1.00 0.73 C ATOM 391 CG LYS A 645 -6.463 -8.039 -10.694 1.00 1.14 C ATOM 392 CD LYS A 645 -5.483 -8.760 -11.608 1.00 1.61 C ATOM 393 CE LYS A 645 -4.260 -7.907 -11.906 1.00 2.44 C ATOM 394 NZ LYS A 645 -4.585 -6.764 -12.804 1.00 3.24 N ATOM 0 H LYS A 645 -5.165 -7.221 -7.013 1.00 0.42 H new ATOM 0 HA LYS A 645 -6.916 -6.030 -8.735 1.00 0.60 H new ATOM 0 HB2 LYS A 645 -4.924 -7.314 -9.401 1.00 0.73 H new ATOM 0 HB3 LYS A 645 -5.668 -8.807 -8.865 1.00 0.73 H new ATOM 0 HG2 LYS A 645 -7.385 -8.615 -10.620 1.00 1.14 H new ATOM 0 HG3 LYS A 645 -6.724 -7.074 -11.127 1.00 1.14 H new ATOM 0 HD2 LYS A 645 -5.170 -9.694 -11.142 1.00 1.61 H new ATOM 0 HD3 LYS A 645 -5.981 -9.021 -12.542 1.00 1.61 H new ATOM 0 HE2 LYS A 645 -3.845 -7.528 -10.972 1.00 2.44 H new ATOM 0 HE3 LYS A 645 -3.491 -8.525 -12.369 1.00 2.44 H new ATOM 0 HZ1 LYS A 645 -3.706 -6.288 -13.092 1.00 3.24 H new ATOM 0 HZ2 LYS A 645 -5.081 -7.116 -13.648 1.00 3.24 H new ATOM 0 HZ3 LYS A 645 -5.195 -6.089 -12.300 1.00 3.24 H new ATOM 408 N LYS A 646 -8.272 -8.693 -7.381 1.00 0.65 N ATOM 409 CA LYS A 646 -9.530 -9.381 -7.147 1.00 0.80 C ATOM 410 C LYS A 646 -9.446 -10.176 -5.846 1.00 0.82 C ATOM 411 O LYS A 646 -9.211 -11.386 -5.855 1.00 0.97 O ATOM 412 CB LYS A 646 -9.854 -10.302 -8.328 1.00 0.99 C ATOM 413 CG LYS A 646 -11.236 -10.931 -8.262 1.00 1.22 C ATOM 414 CD LYS A 646 -11.542 -11.695 -9.534 1.00 1.85 C ATOM 415 CE LYS A 646 -12.904 -12.367 -9.481 1.00 2.19 C ATOM 416 NZ LYS A 646 -13.205 -13.096 -10.741 1.00 2.88 N ATOM 0 H LYS A 646 -7.499 -9.031 -6.808 1.00 0.65 H new ATOM 0 HA LYS A 646 -10.332 -8.648 -7.057 1.00 0.80 H new ATOM 0 HB2 LYS A 646 -9.769 -9.732 -9.253 1.00 0.99 H new ATOM 0 HB3 LYS A 646 -9.107 -11.095 -8.372 1.00 0.99 H new ATOM 0 HG2 LYS A 646 -11.294 -11.603 -7.406 1.00 1.22 H new ATOM 0 HG3 LYS A 646 -11.986 -10.155 -8.109 1.00 1.22 H new ATOM 0 HD2 LYS A 646 -11.507 -11.013 -10.384 1.00 1.85 H new ATOM 0 HD3 LYS A 646 -10.772 -12.449 -9.698 1.00 1.85 H new ATOM 0 HE2 LYS A 646 -12.935 -13.062 -8.642 1.00 2.19 H new ATOM 0 HE3 LYS A 646 -13.674 -11.616 -9.302 1.00 2.19 H new ATOM 0 HZ1 LYS A 646 -14.142 -13.542 -10.669 1.00 2.88 H new ATOM 0 HZ2 LYS A 646 -13.200 -12.428 -11.538 1.00 2.88 H new ATOM 0 HZ3 LYS A 646 -12.484 -13.829 -10.899 1.00 2.88 H new ATOM 430 N ASN A 647 -9.617 -9.490 -4.722 1.00 0.74 N ATOM 431 CA ASN A 647 -9.473 -10.133 -3.423 1.00 0.85 C ATOM 432 C ASN A 647 -10.799 -10.065 -2.673 1.00 0.79 C ATOM 433 O ASN A 647 -11.655 -9.262 -3.037 1.00 0.68 O ATOM 434 CB ASN A 647 -8.366 -9.422 -2.632 1.00 0.92 C ATOM 435 CG ASN A 647 -7.709 -10.293 -1.582 1.00 1.47 C ATOM 436 OD1 ASN A 647 -8.121 -10.312 -0.428 1.00 2.38 O ATOM 437 ND2 ASN A 647 -6.681 -11.023 -1.981 1.00 1.39 N ATOM 0 H ASN A 647 -9.853 -8.498 -4.684 1.00 0.74 H new ATOM 0 HA ASN A 647 -9.200 -11.181 -3.550 1.00 0.85 H new ATOM 0 HB2 ASN A 647 -7.604 -9.070 -3.328 1.00 0.92 H new ATOM 0 HB3 ASN A 647 -8.787 -8.541 -2.148 1.00 0.92 H new ATOM 0 HD21 ASN A 647 -6.200 -11.631 -1.319 1.00 1.39 H new ATOM 0 HD22 ASN A 647 -6.370 -10.978 -2.951 1.00 1.39 H new ATOM 444 N PRO A 648 -11.024 -10.915 -1.658 1.00 0.89 N ATOM 445 CA PRO A 648 -12.180 -10.773 -0.768 1.00 0.90 C ATOM 446 C PRO A 648 -12.361 -9.337 -0.260 1.00 0.81 C ATOM 447 O PRO A 648 -13.487 -8.884 -0.057 1.00 0.82 O ATOM 448 CB PRO A 648 -11.843 -11.710 0.389 1.00 1.08 C ATOM 449 CG PRO A 648 -11.012 -12.781 -0.226 1.00 1.30 C ATOM 450 CD PRO A 648 -10.243 -12.131 -1.348 1.00 1.04 C ATOM 0 HA PRO A 648 -13.116 -11.010 -1.274 1.00 0.90 H new ATOM 0 HB2 PRO A 648 -11.298 -11.188 1.176 1.00 1.08 H new ATOM 0 HB3 PRO A 648 -12.745 -12.120 0.843 1.00 1.08 H new ATOM 0 HG2 PRO A 648 -10.334 -13.217 0.508 1.00 1.30 H new ATOM 0 HG3 PRO A 648 -11.638 -13.591 -0.602 1.00 1.30 H new ATOM 0 HD2 PRO A 648 -9.225 -11.885 -1.045 1.00 1.04 H new ATOM 0 HD3 PRO A 648 -10.168 -12.789 -2.214 1.00 1.04 H new ATOM 458 N GLN A 649 -11.258 -8.607 -0.090 1.00 0.80 N ATOM 459 CA GLN A 649 -11.334 -7.235 0.384 1.00 0.82 C ATOM 460 C GLN A 649 -11.571 -6.284 -0.781 1.00 0.68 C ATOM 461 O GLN A 649 -12.135 -5.201 -0.617 1.00 0.71 O ATOM 462 CB GLN A 649 -10.074 -6.888 1.163 1.00 1.02 C ATOM 463 CG GLN A 649 -8.790 -7.316 0.483 1.00 0.92 C ATOM 464 CD GLN A 649 -7.725 -7.684 1.496 1.00 1.44 C ATOM 465 OE1 GLN A 649 -7.592 -8.837 1.891 1.00 2.04 O ATOM 466 NE2 GLN A 649 -6.985 -6.692 1.952 1.00 1.83 N ATOM 0 H GLN A 649 -10.313 -8.943 -0.273 1.00 0.80 H new ATOM 0 HA GLN A 649 -12.181 -7.128 1.061 1.00 0.82 H new ATOM 0 HB2 GLN A 649 -10.045 -5.811 1.325 1.00 1.02 H new ATOM 0 HB3 GLN A 649 -10.126 -7.357 2.146 1.00 1.02 H new ATOM 0 HG2 GLN A 649 -8.987 -8.169 -0.166 1.00 0.92 H new ATOM 0 HG3 GLN A 649 -8.426 -6.509 -0.153 1.00 0.92 H new ATOM 0 HE21 GLN A 649 -7.126 -5.746 1.598 1.00 1.83 H new ATOM 0 HE22 GLN A 649 -6.272 -6.871 2.659 1.00 1.83 H new ATOM 475 N SER A 650 -11.172 -6.716 -1.964 1.00 0.63 N ATOM 476 CA SER A 650 -11.445 -5.991 -3.192 1.00 0.61 C ATOM 477 C SER A 650 -12.919 -6.100 -3.557 1.00 0.63 C ATOM 478 O SER A 650 -13.492 -5.201 -4.168 1.00 0.67 O ATOM 479 CB SER A 650 -10.595 -6.554 -4.308 1.00 0.70 C ATOM 480 OG SER A 650 -9.258 -6.695 -3.877 1.00 1.56 O ATOM 0 H SER A 650 -10.649 -7.581 -2.100 1.00 0.63 H new ATOM 0 HA SER A 650 -11.202 -4.939 -3.044 1.00 0.61 H new ATOM 0 HB2 SER A 650 -10.988 -7.521 -4.622 1.00 0.70 H new ATOM 0 HB3 SER A 650 -10.638 -5.896 -5.176 1.00 0.70 H new ATOM 0 HG SER A 650 -8.672 -6.156 -4.448 1.00 1.56 H new ATOM 486 N LYS A 651 -13.527 -7.220 -3.184 1.00 0.66 N ATOM 487 CA LYS A 651 -14.954 -7.429 -3.386 1.00 0.74 C ATOM 488 C LYS A 651 -15.745 -6.447 -2.524 1.00 0.72 C ATOM 489 O LYS A 651 -16.928 -6.197 -2.757 1.00 0.78 O ATOM 490 CB LYS A 651 -15.324 -8.876 -3.037 1.00 0.87 C ATOM 491 CG LYS A 651 -16.769 -9.238 -3.342 1.00 1.53 C ATOM 492 CD LYS A 651 -17.067 -10.680 -2.972 1.00 1.63 C ATOM 493 CE LYS A 651 -18.524 -11.026 -3.220 1.00 2.38 C ATOM 494 NZ LYS A 651 -18.835 -12.424 -2.825 1.00 3.08 N ATOM 0 H LYS A 651 -13.049 -8.002 -2.737 1.00 0.66 H new ATOM 0 HA LYS A 651 -15.202 -7.252 -4.433 1.00 0.74 H new ATOM 0 HB2 LYS A 651 -14.668 -9.550 -3.587 1.00 0.87 H new ATOM 0 HB3 LYS A 651 -15.135 -9.042 -1.976 1.00 0.87 H new ATOM 0 HG2 LYS A 651 -17.436 -8.574 -2.792 1.00 1.53 H new ATOM 0 HG3 LYS A 651 -16.969 -9.084 -4.402 1.00 1.53 H new ATOM 0 HD2 LYS A 651 -16.429 -11.346 -3.554 1.00 1.63 H new ATOM 0 HD3 LYS A 651 -16.826 -10.845 -1.922 1.00 1.63 H new ATOM 0 HE2 LYS A 651 -19.161 -10.340 -2.661 1.00 2.38 H new ATOM 0 HE3 LYS A 651 -18.756 -10.887 -4.276 1.00 2.38 H new ATOM 0 HZ1 LYS A 651 -19.839 -12.622 -3.010 1.00 3.08 H new ATOM 0 HZ2 LYS A 651 -18.246 -13.080 -3.377 1.00 3.08 H new ATOM 0 HZ3 LYS A 651 -18.638 -12.550 -1.812 1.00 3.08 H new ATOM 508 N GLN A 652 -15.065 -5.876 -1.537 1.00 0.69 N ATOM 509 CA GLN A 652 -15.663 -4.887 -0.659 1.00 0.76 C ATOM 510 C GLN A 652 -15.311 -3.499 -1.165 1.00 0.71 C ATOM 511 O GLN A 652 -15.966 -2.514 -0.832 1.00 0.87 O ATOM 512 CB GLN A 652 -15.154 -5.064 0.773 1.00 0.84 C ATOM 513 CG GLN A 652 -15.392 -6.452 1.337 1.00 1.34 C ATOM 514 CD GLN A 652 -14.883 -6.605 2.758 1.00 1.94 C ATOM 515 OE1 GLN A 652 -15.430 -7.379 3.545 1.00 2.22 O ATOM 516 NE2 GLN A 652 -13.828 -5.875 3.095 1.00 2.75 N ATOM 0 H GLN A 652 -14.089 -6.086 -1.326 1.00 0.69 H new ATOM 0 HA GLN A 652 -16.745 -5.017 -0.657 1.00 0.76 H new ATOM 0 HB2 GLN A 652 -14.086 -4.849 0.799 1.00 0.84 H new ATOM 0 HB3 GLN A 652 -15.642 -4.331 1.416 1.00 0.84 H new ATOM 0 HG2 GLN A 652 -16.460 -6.671 1.313 1.00 1.34 H new ATOM 0 HG3 GLN A 652 -14.901 -7.187 0.699 1.00 1.34 H new ATOM 0 HE21 GLN A 652 -13.404 -5.246 2.413 1.00 2.75 H new ATOM 0 HE22 GLN A 652 -13.440 -5.943 4.036 1.00 2.75 H new ATOM 525 N PHE A 653 -14.276 -3.439 -1.993 1.00 0.56 N ATOM 526 CA PHE A 653 -13.809 -2.182 -2.545 1.00 0.51 C ATOM 527 C PHE A 653 -14.773 -1.626 -3.577 1.00 0.61 C ATOM 528 O PHE A 653 -15.591 -2.352 -4.149 1.00 0.87 O ATOM 529 CB PHE A 653 -12.469 -2.399 -3.221 1.00 0.44 C ATOM 530 CG PHE A 653 -11.290 -1.908 -2.448 1.00 0.43 C ATOM 531 CD1 PHE A 653 -11.291 -0.640 -1.903 1.00 0.58 C ATOM 532 CD2 PHE A 653 -10.200 -2.726 -2.225 1.00 0.52 C ATOM 533 CE1 PHE A 653 -10.236 -0.204 -1.148 1.00 0.66 C ATOM 534 CE2 PHE A 653 -9.133 -2.288 -1.477 1.00 0.58 C ATOM 535 CZ PHE A 653 -9.066 -0.969 -1.104 1.00 0.58 C ATOM 0 H PHE A 653 -13.743 -4.254 -2.296 1.00 0.56 H new ATOM 0 HA PHE A 653 -13.728 -1.471 -1.722 1.00 0.51 H new ATOM 0 HB2 PHE A 653 -12.342 -3.465 -3.411 1.00 0.44 H new ATOM 0 HB3 PHE A 653 -12.483 -1.901 -4.191 1.00 0.44 H new ATOM 0 HD1 PHE A 653 -12.133 0.015 -2.074 1.00 0.58 H new ATOM 0 HD2 PHE A 653 -10.186 -3.722 -2.643 1.00 0.52 H new ATOM 0 HE1 PHE A 653 -10.306 0.720 -0.593 1.00 0.66 H new ATOM 0 HE2 PHE A 653 -8.354 -2.976 -1.185 1.00 0.58 H new ATOM 0 HZ PHE A 653 -8.132 -0.532 -0.784 1.00 0.58 H new ATOM 545 N ASP A 654 -14.667 -0.330 -3.801 1.00 0.53 N ATOM 546 CA ASP A 654 -15.320 0.308 -4.923 1.00 0.58 C ATOM 547 C ASP A 654 -14.290 0.533 -6.016 1.00 0.58 C ATOM 548 O ASP A 654 -13.089 0.380 -5.766 1.00 0.63 O ATOM 549 CB ASP A 654 -15.977 1.631 -4.512 1.00 0.65 C ATOM 550 CG ASP A 654 -17.207 1.425 -3.647 1.00 1.07 C ATOM 551 OD1 ASP A 654 -17.057 1.220 -2.424 1.00 1.77 O ATOM 552 OD2 ASP A 654 -18.334 1.474 -4.187 1.00 1.47 O ATOM 0 H ASP A 654 -14.128 0.305 -3.212 1.00 0.53 H new ATOM 0 HA ASP A 654 -16.116 -0.339 -5.291 1.00 0.58 H new ATOM 0 HB2 ASP A 654 -15.253 2.239 -3.970 1.00 0.65 H new ATOM 0 HB3 ASP A 654 -16.255 2.188 -5.407 1.00 0.65 H new ATOM 557 N HIS A 655 -14.731 0.906 -7.200 1.00 0.63 N ATOM 558 CA HIS A 655 -13.839 0.957 -8.361 1.00 0.67 C ATOM 559 C HIS A 655 -12.742 1.994 -8.158 1.00 0.63 C ATOM 560 O HIS A 655 -11.562 1.724 -8.398 1.00 0.65 O ATOM 561 CB HIS A 655 -14.622 1.271 -9.639 1.00 0.83 C ATOM 562 CG HIS A 655 -13.790 1.202 -10.887 1.00 1.61 C ATOM 563 ND1 HIS A 655 -13.296 2.316 -11.532 1.00 2.50 N ATOM 564 CD2 HIS A 655 -13.373 0.139 -11.613 1.00 2.36 C ATOM 565 CE1 HIS A 655 -12.617 1.940 -12.597 1.00 3.36 C ATOM 566 NE2 HIS A 655 -12.647 0.622 -12.676 1.00 3.28 N ATOM 0 H HIS A 655 -15.695 1.179 -7.392 1.00 0.63 H new ATOM 0 HA HIS A 655 -13.378 -0.025 -8.466 1.00 0.67 H new ATOM 0 HB2 HIS A 655 -15.453 0.571 -9.727 1.00 0.83 H new ATOM 0 HB3 HIS A 655 -15.053 2.268 -9.555 1.00 0.83 H new ATOM 0 HD2 HIS A 655 -13.574 -0.900 -11.397 1.00 2.36 H new ATOM 0 HE1 HIS A 655 -12.118 2.601 -13.291 1.00 3.36 H new ATOM 0 HE2 HIS A 655 -12.206 0.058 -13.403 1.00 3.28 H new ATOM 575 N GLU A 656 -13.144 3.166 -7.692 1.00 0.64 N ATOM 576 CA GLU A 656 -12.229 4.281 -7.499 1.00 0.64 C ATOM 577 C GLU A 656 -11.126 3.933 -6.500 1.00 0.50 C ATOM 578 O GLU A 656 -9.988 4.380 -6.637 1.00 0.54 O ATOM 579 CB GLU A 656 -12.997 5.527 -7.032 1.00 0.75 C ATOM 580 CG GLU A 656 -13.830 5.305 -5.776 1.00 0.82 C ATOM 581 CD GLU A 656 -14.560 6.554 -5.323 1.00 1.30 C ATOM 582 OE1 GLU A 656 -13.973 7.347 -4.553 1.00 2.14 O ATOM 583 OE2 GLU A 656 -15.721 6.759 -5.739 1.00 1.32 O ATOM 0 H GLU A 656 -14.110 3.371 -7.438 1.00 0.64 H new ATOM 0 HA GLU A 656 -11.756 4.494 -8.458 1.00 0.64 H new ATOM 0 HB2 GLU A 656 -12.286 6.332 -6.847 1.00 0.75 H new ATOM 0 HB3 GLU A 656 -13.653 5.860 -7.837 1.00 0.75 H new ATOM 0 HG2 GLU A 656 -14.556 4.514 -5.963 1.00 0.82 H new ATOM 0 HG3 GLU A 656 -13.181 4.958 -4.972 1.00 0.82 H new ATOM 590 N ASN A 657 -11.468 3.139 -5.495 1.00 0.44 N ATOM 591 CA ASN A 657 -10.537 2.834 -4.417 1.00 0.41 C ATOM 592 C ASN A 657 -9.454 1.857 -4.862 1.00 0.32 C ATOM 593 O ASN A 657 -8.276 2.062 -4.579 1.00 0.33 O ATOM 594 CB ASN A 657 -11.243 2.214 -3.217 1.00 0.57 C ATOM 595 CG ASN A 657 -12.444 2.977 -2.709 1.00 0.89 C ATOM 596 OD1 ASN A 657 -12.589 4.176 -2.933 1.00 1.88 O ATOM 597 ND2 ASN A 657 -13.286 2.271 -1.970 1.00 0.72 N ATOM 0 H ASN A 657 -12.382 2.695 -5.403 1.00 0.44 H new ATOM 0 HA ASN A 657 -10.090 3.789 -4.139 1.00 0.41 H new ATOM 0 HB2 ASN A 657 -11.560 1.206 -3.484 1.00 0.57 H new ATOM 0 HB3 ASN A 657 -10.524 2.117 -2.403 1.00 0.57 H new ATOM 0 HD21 ASN A 657 -14.102 2.721 -1.556 1.00 0.72 H new ATOM 0 HD22 ASN A 657 -13.119 1.277 -1.815 1.00 0.72 H new ATOM 604 N ILE A 658 -9.866 0.793 -5.547 1.00 0.32 N ATOM 605 CA ILE A 658 -8.993 -0.359 -5.787 1.00 0.32 C ATOM 606 C ILE A 658 -7.693 0.012 -6.512 1.00 0.31 C ATOM 607 O ILE A 658 -6.610 -0.414 -6.100 1.00 0.34 O ATOM 608 CB ILE A 658 -9.745 -1.499 -6.534 1.00 0.39 C ATOM 609 CG1 ILE A 658 -10.101 -2.614 -5.545 1.00 0.37 C ATOM 610 CG2 ILE A 658 -8.934 -2.059 -7.696 1.00 0.46 C ATOM 611 CD1 ILE A 658 -10.671 -3.854 -6.194 1.00 0.43 C ATOM 0 H ILE A 658 -10.800 0.702 -5.947 1.00 0.32 H new ATOM 0 HA ILE A 658 -8.704 -0.728 -4.803 1.00 0.32 H new ATOM 0 HB ILE A 658 -10.657 -1.077 -6.956 1.00 0.39 H new ATOM 0 HG12 ILE A 658 -9.207 -2.888 -4.985 1.00 0.37 H new ATOM 0 HG13 ILE A 658 -10.823 -2.229 -4.824 1.00 0.37 H new ATOM 0 HG21 ILE A 658 -9.500 -2.851 -8.186 1.00 0.46 H new ATOM 0 HG22 ILE A 658 -8.728 -1.264 -8.412 1.00 0.46 H new ATOM 0 HG23 ILE A 658 -7.993 -2.463 -7.322 1.00 0.46 H new ATOM 0 HD11 ILE A 658 -10.897 -4.595 -5.427 1.00 0.43 H new ATOM 0 HD12 ILE A 658 -11.585 -3.597 -6.730 1.00 0.43 H new ATOM 0 HD13 ILE A 658 -9.943 -4.266 -6.893 1.00 0.43 H new ATOM 623 N LYS A 659 -7.783 0.817 -7.561 1.00 0.32 N ATOM 624 CA LYS A 659 -6.595 1.175 -8.327 1.00 0.37 C ATOM 625 C LYS A 659 -5.694 2.094 -7.514 1.00 0.34 C ATOM 626 O LYS A 659 -4.465 1.967 -7.538 1.00 0.37 O ATOM 627 CB LYS A 659 -6.983 1.839 -9.652 1.00 0.48 C ATOM 628 CG LYS A 659 -5.788 2.181 -10.524 1.00 1.37 C ATOM 629 CD LYS A 659 -6.207 2.598 -11.921 1.00 1.85 C ATOM 630 CE LYS A 659 -4.999 2.955 -12.773 1.00 2.61 C ATOM 631 NZ LYS A 659 -3.991 1.859 -12.803 1.00 3.38 N ATOM 0 H LYS A 659 -8.652 1.230 -7.899 1.00 0.32 H new ATOM 0 HA LYS A 659 -6.045 0.261 -8.552 1.00 0.37 H new ATOM 0 HB2 LYS A 659 -7.648 1.174 -10.203 1.00 0.48 H new ATOM 0 HB3 LYS A 659 -7.545 2.750 -9.444 1.00 0.48 H new ATOM 0 HG2 LYS A 659 -5.219 2.987 -10.060 1.00 1.37 H new ATOM 0 HG3 LYS A 659 -5.125 1.318 -10.586 1.00 1.37 H new ATOM 0 HD2 LYS A 659 -6.763 1.788 -12.394 1.00 1.85 H new ATOM 0 HD3 LYS A 659 -6.879 3.454 -11.862 1.00 1.85 H new ATOM 0 HE2 LYS A 659 -5.325 3.175 -13.790 1.00 2.61 H new ATOM 0 HE3 LYS A 659 -4.536 3.862 -12.383 1.00 2.61 H new ATOM 0 HZ1 LYS A 659 -3.309 2.036 -13.568 1.00 3.38 H new ATOM 0 HZ2 LYS A 659 -3.489 1.824 -11.893 1.00 3.38 H new ATOM 0 HZ3 LYS A 659 -4.470 0.951 -12.970 1.00 3.38 H new ATOM 645 N GLN A 660 -6.312 2.999 -6.774 1.00 0.34 N ATOM 646 CA GLN A 660 -5.575 3.953 -5.966 1.00 0.38 C ATOM 647 C GLN A 660 -4.943 3.271 -4.756 1.00 0.31 C ATOM 648 O GLN A 660 -3.846 3.633 -4.341 1.00 0.31 O ATOM 649 CB GLN A 660 -6.492 5.093 -5.525 1.00 0.50 C ATOM 650 CG GLN A 660 -7.000 5.931 -6.689 1.00 1.28 C ATOM 651 CD GLN A 660 -7.978 7.006 -6.265 1.00 1.78 C ATOM 652 OE1 GLN A 660 -7.920 7.512 -5.145 1.00 1.90 O ATOM 653 NE2 GLN A 660 -8.887 7.359 -7.156 1.00 2.71 N ATOM 0 H GLN A 660 -7.326 3.092 -6.717 1.00 0.34 H new ATOM 0 HA GLN A 660 -4.771 4.368 -6.574 1.00 0.38 H new ATOM 0 HB2 GLN A 660 -7.343 4.679 -4.984 1.00 0.50 H new ATOM 0 HB3 GLN A 660 -5.954 5.736 -4.829 1.00 0.50 H new ATOM 0 HG2 GLN A 660 -6.152 6.397 -7.191 1.00 1.28 H new ATOM 0 HG3 GLN A 660 -7.481 5.277 -7.417 1.00 1.28 H new ATOM 0 HE21 GLN A 660 -8.901 6.915 -8.074 1.00 2.71 H new ATOM 0 HE22 GLN A 660 -9.575 8.076 -6.926 1.00 2.71 H new ATOM 662 N CYS A 661 -5.631 2.274 -4.207 1.00 0.27 N ATOM 663 CA CYS A 661 -5.118 1.524 -3.067 1.00 0.26 C ATOM 664 C CYS A 661 -3.789 0.865 -3.399 1.00 0.23 C ATOM 665 O CYS A 661 -2.814 1.065 -2.687 1.00 0.25 O ATOM 666 CB CYS A 661 -6.123 0.467 -2.614 1.00 0.28 C ATOM 667 SG CYS A 661 -5.471 -0.714 -1.418 1.00 0.30 S ATOM 0 H CYS A 661 -6.547 1.967 -4.535 1.00 0.27 H new ATOM 0 HA CYS A 661 -4.961 2.231 -2.253 1.00 0.26 H new ATOM 0 HB2 CYS A 661 -6.987 0.968 -2.178 1.00 0.28 H new ATOM 0 HB3 CYS A 661 -6.478 -0.078 -3.489 1.00 0.28 H new ATOM 0 HG CYS A 661 -5.852 -0.375 -0.222 1.00 0.30 H new ATOM 673 N ALA A 662 -3.757 0.085 -4.481 1.00 0.23 N ATOM 674 CA ALA A 662 -2.526 -0.566 -4.921 1.00 0.25 C ATOM 675 C ALA A 662 -1.403 0.453 -5.098 1.00 0.24 C ATOM 676 O ALA A 662 -0.281 0.249 -4.634 1.00 0.24 O ATOM 677 CB ALA A 662 -2.765 -1.319 -6.221 1.00 0.32 C ATOM 0 H ALA A 662 -4.569 -0.110 -5.067 1.00 0.23 H new ATOM 0 HA ALA A 662 -2.222 -1.276 -4.152 1.00 0.25 H new ATOM 0 HB1 ALA A 662 -1.840 -1.800 -6.538 1.00 0.32 H new ATOM 0 HB2 ALA A 662 -3.533 -2.077 -6.067 1.00 0.32 H new ATOM 0 HB3 ALA A 662 -3.094 -0.621 -6.991 1.00 0.32 H new ATOM 683 N LYS A 663 -1.727 1.559 -5.750 1.00 0.27 N ATOM 684 CA LYS A 663 -0.776 2.640 -5.963 1.00 0.30 C ATOM 685 C LYS A 663 -0.228 3.168 -4.633 1.00 0.26 C ATOM 686 O LYS A 663 0.990 3.256 -4.430 1.00 0.29 O ATOM 687 CB LYS A 663 -1.466 3.772 -6.732 1.00 0.40 C ATOM 688 CG LYS A 663 -0.596 4.994 -6.962 1.00 1.19 C ATOM 689 CD LYS A 663 -1.372 6.093 -7.668 1.00 1.51 C ATOM 690 CE LYS A 663 -2.477 6.672 -6.790 1.00 2.61 C ATOM 691 NZ LYS A 663 -1.936 7.447 -5.639 1.00 3.57 N ATOM 0 H LYS A 663 -2.651 1.733 -6.145 1.00 0.27 H new ATOM 0 HA LYS A 663 0.065 2.256 -6.541 1.00 0.30 H new ATOM 0 HB2 LYS A 663 -1.797 3.390 -7.698 1.00 0.40 H new ATOM 0 HB3 LYS A 663 -2.359 4.074 -6.185 1.00 0.40 H new ATOM 0 HG2 LYS A 663 -0.223 5.364 -6.007 1.00 1.19 H new ATOM 0 HG3 LYS A 663 0.274 4.718 -7.558 1.00 1.19 H new ATOM 0 HD2 LYS A 663 -0.687 6.889 -7.960 1.00 1.51 H new ATOM 0 HD3 LYS A 663 -1.809 5.696 -8.585 1.00 1.51 H new ATOM 0 HE2 LYS A 663 -3.116 7.318 -7.392 1.00 2.61 H new ATOM 0 HE3 LYS A 663 -3.104 5.862 -6.417 1.00 2.61 H new ATOM 0 HZ1 LYS A 663 -2.571 8.243 -5.428 1.00 3.57 H new ATOM 0 HZ2 LYS A 663 -1.867 6.828 -4.806 1.00 3.57 H new ATOM 0 HZ3 LYS A 663 -0.992 7.811 -5.879 1.00 3.57 H new ATOM 705 N ASP A 664 -1.136 3.488 -3.723 1.00 0.25 N ATOM 706 CA ASP A 664 -0.764 4.135 -2.476 1.00 0.29 C ATOM 707 C ASP A 664 -0.052 3.187 -1.524 1.00 0.25 C ATOM 708 O ASP A 664 0.926 3.578 -0.911 1.00 0.30 O ATOM 709 CB ASP A 664 -1.985 4.755 -1.795 1.00 0.38 C ATOM 710 CG ASP A 664 -2.505 5.970 -2.541 1.00 1.03 C ATOM 711 OD1 ASP A 664 -1.687 6.789 -3.012 1.00 1.60 O ATOM 712 OD2 ASP A 664 -3.737 6.106 -2.680 1.00 1.72 O ATOM 0 H ASP A 664 -2.135 3.310 -3.826 1.00 0.25 H new ATOM 0 HA ASP A 664 -0.062 4.929 -2.731 1.00 0.29 H new ATOM 0 HB2 ASP A 664 -2.776 4.009 -1.724 1.00 0.38 H new ATOM 0 HB3 ASP A 664 -1.724 5.041 -0.776 1.00 0.38 H new ATOM 717 N ILE A 665 -0.524 1.947 -1.409 1.00 0.23 N ATOM 718 CA ILE A 665 0.080 0.980 -0.485 1.00 0.24 C ATOM 719 C ILE A 665 1.546 0.741 -0.829 1.00 0.25 C ATOM 720 O ILE A 665 2.390 0.620 0.061 1.00 0.29 O ATOM 721 CB ILE A 665 -0.691 -0.367 -0.468 1.00 0.24 C ATOM 722 CG1 ILE A 665 -0.050 -1.381 0.492 1.00 0.29 C ATOM 723 CG2 ILE A 665 -0.777 -0.959 -1.858 1.00 0.23 C ATOM 724 CD1 ILE A 665 -0.865 -2.645 0.632 1.00 0.38 C ATOM 0 H ILE A 665 -1.318 1.587 -1.939 1.00 0.23 H new ATOM 0 HA ILE A 665 0.017 1.412 0.514 1.00 0.24 H new ATOM 0 HB ILE A 665 -1.698 -0.152 -0.110 1.00 0.24 H new ATOM 0 HG12 ILE A 665 0.948 -1.634 0.134 1.00 0.29 H new ATOM 0 HG13 ILE A 665 0.071 -0.921 1.473 1.00 0.29 H new ATOM 0 HG21 ILE A 665 -1.322 -1.902 -1.819 1.00 0.23 H new ATOM 0 HG22 ILE A 665 -1.299 -0.266 -2.517 1.00 0.23 H new ATOM 0 HG23 ILE A 665 0.228 -1.136 -2.241 1.00 0.23 H new ATOM 0 HD11 ILE A 665 -0.365 -3.325 1.322 1.00 0.38 H new ATOM 0 HD12 ILE A 665 -1.854 -2.399 1.018 1.00 0.38 H new ATOM 0 HD13 ILE A 665 -0.964 -3.124 -0.342 1.00 0.38 H new ATOM 736 N VAL A 666 1.851 0.705 -2.122 1.00 0.24 N ATOM 737 CA VAL A 666 3.216 0.517 -2.576 1.00 0.27 C ATOM 738 C VAL A 666 4.092 1.701 -2.166 1.00 0.31 C ATOM 739 O VAL A 666 5.187 1.517 -1.636 1.00 0.40 O ATOM 740 CB VAL A 666 3.274 0.321 -4.109 1.00 0.27 C ATOM 741 CG1 VAL A 666 4.711 0.239 -4.592 1.00 0.34 C ATOM 742 CG2 VAL A 666 2.518 -0.931 -4.519 1.00 0.26 C ATOM 0 H VAL A 666 1.167 0.804 -2.872 1.00 0.24 H new ATOM 0 HA VAL A 666 3.600 -0.385 -2.100 1.00 0.27 H new ATOM 0 HB VAL A 666 2.801 1.186 -4.573 1.00 0.27 H new ATOM 0 HG11 VAL A 666 4.724 0.101 -5.673 1.00 0.34 H new ATOM 0 HG12 VAL A 666 5.234 1.161 -4.337 1.00 0.34 H new ATOM 0 HG13 VAL A 666 5.208 -0.604 -4.113 1.00 0.34 H new ATOM 0 HG21 VAL A 666 2.571 -1.050 -5.601 1.00 0.26 H new ATOM 0 HG22 VAL A 666 2.964 -1.800 -4.036 1.00 0.26 H new ATOM 0 HG23 VAL A 666 1.475 -0.842 -4.215 1.00 0.26 H new ATOM 752 N LYS A 667 3.602 2.910 -2.402 1.00 0.31 N ATOM 753 CA LYS A 667 4.378 4.113 -2.117 1.00 0.38 C ATOM 754 C LYS A 667 4.432 4.449 -0.616 1.00 0.31 C ATOM 755 O LYS A 667 5.470 4.873 -0.108 1.00 0.37 O ATOM 756 CB LYS A 667 3.818 5.298 -2.904 1.00 0.53 C ATOM 757 CG LYS A 667 4.624 6.577 -2.734 1.00 0.94 C ATOM 758 CD LYS A 667 6.074 6.393 -3.162 1.00 1.55 C ATOM 759 CE LYS A 667 6.912 7.623 -2.848 1.00 2.46 C ATOM 760 NZ LYS A 667 6.997 7.889 -1.385 1.00 3.48 N ATOM 0 H LYS A 667 2.675 3.086 -2.789 1.00 0.31 H new ATOM 0 HA LYS A 667 5.402 3.912 -2.432 1.00 0.38 H new ATOM 0 HB2 LYS A 667 3.784 5.038 -3.962 1.00 0.53 H new ATOM 0 HB3 LYS A 667 2.791 5.481 -2.588 1.00 0.53 H new ATOM 0 HG2 LYS A 667 4.170 7.374 -3.323 1.00 0.94 H new ATOM 0 HG3 LYS A 667 4.590 6.892 -1.691 1.00 0.94 H new ATOM 0 HD2 LYS A 667 6.496 5.525 -2.655 1.00 1.55 H new ATOM 0 HD3 LYS A 667 6.115 6.188 -4.232 1.00 1.55 H new ATOM 0 HE2 LYS A 667 7.916 7.488 -3.250 1.00 2.46 H new ATOM 0 HE3 LYS A 667 6.482 8.491 -3.349 1.00 2.46 H new ATOM 0 HZ1 LYS A 667 7.942 8.256 -1.153 1.00 3.48 H new ATOM 0 HZ2 LYS A 667 6.277 8.591 -1.117 1.00 3.48 H new ATOM 0 HZ3 LYS A 667 6.831 7.006 -0.861 1.00 3.48 H new ATOM 774 N ILE A 668 3.330 4.265 0.095 1.00 0.25 N ATOM 775 CA ILE A 668 3.255 4.704 1.483 1.00 0.26 C ATOM 776 C ILE A 668 3.997 3.754 2.420 1.00 0.27 C ATOM 777 O ILE A 668 4.674 4.201 3.345 1.00 0.32 O ATOM 778 CB ILE A 668 1.795 4.900 1.973 1.00 0.30 C ATOM 779 CG1 ILE A 668 1.791 5.629 3.318 1.00 1.14 C ATOM 780 CG2 ILE A 668 1.059 3.569 2.096 1.00 0.87 C ATOM 781 CD1 ILE A 668 0.407 5.938 3.839 1.00 1.73 C ATOM 0 H ILE A 668 2.483 3.820 -0.260 1.00 0.25 H new ATOM 0 HA ILE A 668 3.747 5.676 1.511 1.00 0.26 H new ATOM 0 HB ILE A 668 1.270 5.501 1.231 1.00 0.30 H new ATOM 0 HG12 ILE A 668 2.318 5.020 4.052 1.00 1.14 H new ATOM 0 HG13 ILE A 668 2.348 6.561 3.218 1.00 1.14 H new ATOM 0 HG21 ILE A 668 0.041 3.747 2.441 1.00 0.87 H new ATOM 0 HG22 ILE A 668 1.032 3.077 1.124 1.00 0.87 H new ATOM 0 HG23 ILE A 668 1.578 2.931 2.811 1.00 0.87 H new ATOM 0 HD11 ILE A 668 0.485 6.455 4.795 1.00 1.73 H new ATOM 0 HD12 ILE A 668 -0.117 6.573 3.125 1.00 1.73 H new ATOM 0 HD13 ILE A 668 -0.147 5.009 3.973 1.00 1.73 H new ATOM 793 N LEU A 669 3.891 2.448 2.178 1.00 0.25 N ATOM 794 CA LEU A 669 4.500 1.478 3.074 1.00 0.29 C ATOM 795 C LEU A 669 6.019 1.635 3.052 1.00 0.30 C ATOM 796 O LEU A 669 6.662 1.585 4.095 1.00 0.37 O ATOM 797 CB LEU A 669 4.080 0.047 2.713 1.00 0.29 C ATOM 798 CG LEU A 669 3.780 -0.869 3.908 1.00 0.35 C ATOM 799 CD1 LEU A 669 3.179 -2.180 3.429 1.00 0.37 C ATOM 800 CD2 LEU A 669 5.035 -1.137 4.731 1.00 0.39 C ATOM 0 H LEU A 669 3.397 2.046 1.381 1.00 0.25 H new ATOM 0 HA LEU A 669 4.146 1.668 4.087 1.00 0.29 H new ATOM 0 HB2 LEU A 669 3.193 0.095 2.081 1.00 0.29 H new ATOM 0 HB3 LEU A 669 4.872 -0.407 2.118 1.00 0.29 H new ATOM 0 HG LEU A 669 3.060 -0.359 4.548 1.00 0.35 H new ATOM 0 HD11 LEU A 669 2.971 -2.820 4.287 1.00 0.37 H new ATOM 0 HD12 LEU A 669 2.252 -1.980 2.892 1.00 0.37 H new ATOM 0 HD13 LEU A 669 3.882 -2.681 2.764 1.00 0.37 H new ATOM 0 HD21 LEU A 669 4.788 -1.789 5.569 1.00 0.39 H new ATOM 0 HD22 LEU A 669 5.785 -1.620 4.104 1.00 0.39 H new ATOM 0 HD23 LEU A 669 5.431 -0.194 5.109 1.00 0.39 H new ATOM 812 N THR A 670 6.584 1.876 1.872 1.00 0.27 N ATOM 813 CA THR A 670 8.020 2.104 1.768 1.00 0.30 C ATOM 814 C THR A 670 8.423 3.394 2.467 1.00 0.33 C ATOM 815 O THR A 670 9.481 3.455 3.097 1.00 0.37 O ATOM 816 CB THR A 670 8.527 2.139 0.311 1.00 0.33 C ATOM 817 OG1 THR A 670 9.883 2.597 0.280 1.00 0.34 O ATOM 818 CG2 THR A 670 7.682 3.035 -0.574 1.00 0.37 C ATOM 0 H THR A 670 6.078 1.918 0.988 1.00 0.27 H new ATOM 0 HA THR A 670 8.487 1.252 2.261 1.00 0.30 H new ATOM 0 HB THR A 670 8.457 1.123 -0.077 1.00 0.33 H new ATOM 0 HG1 THR A 670 10.478 1.879 0.582 1.00 0.34 H new ATOM 0 HG21 THR A 670 8.081 3.025 -1.588 1.00 0.37 H new ATOM 0 HG22 THR A 670 6.654 2.672 -0.584 1.00 0.37 H new ATOM 0 HG23 THR A 670 7.703 4.053 -0.186 1.00 0.37 H new ATOM 826 N THR A 671 7.587 4.420 2.367 1.00 0.36 N ATOM 827 CA THR A 671 7.860 5.665 3.056 1.00 0.43 C ATOM 828 C THR A 671 7.858 5.439 4.562 1.00 0.45 C ATOM 829 O THR A 671 8.730 5.928 5.264 1.00 0.48 O ATOM 830 CB THR A 671 6.846 6.758 2.667 1.00 0.55 C ATOM 831 OG1 THR A 671 6.961 7.023 1.265 1.00 0.61 O ATOM 832 CG2 THR A 671 7.089 8.044 3.446 1.00 0.64 C ATOM 0 H THR A 671 6.725 4.411 1.821 1.00 0.36 H new ATOM 0 HA THR A 671 8.847 6.012 2.752 1.00 0.43 H new ATOM 0 HB THR A 671 5.845 6.401 2.907 1.00 0.55 H new ATOM 0 HG1 THR A 671 7.907 7.029 1.010 1.00 0.61 H new ATOM 0 HG21 THR A 671 6.357 8.794 3.148 1.00 0.64 H new ATOM 0 HG22 THR A 671 6.992 7.847 4.514 1.00 0.64 H new ATOM 0 HG23 THR A 671 8.093 8.413 3.235 1.00 0.64 H new ATOM 840 N LYS A 672 6.902 4.653 5.037 1.00 0.48 N ATOM 841 CA LYS A 672 6.815 4.319 6.450 1.00 0.58 C ATOM 842 C LYS A 672 8.037 3.512 6.883 1.00 0.51 C ATOM 843 O LYS A 672 8.656 3.805 7.906 1.00 0.56 O ATOM 844 CB LYS A 672 5.532 3.528 6.721 1.00 0.74 C ATOM 845 CG LYS A 672 5.360 3.110 8.170 1.00 1.19 C ATOM 846 CD LYS A 672 4.053 2.364 8.380 1.00 1.39 C ATOM 847 CE LYS A 672 3.900 1.896 9.818 1.00 1.74 C ATOM 848 NZ LYS A 672 2.603 1.203 10.037 1.00 2.10 N ATOM 0 H LYS A 672 6.173 4.233 4.460 1.00 0.48 H new ATOM 0 HA LYS A 672 6.790 5.242 7.029 1.00 0.58 H new ATOM 0 HB2 LYS A 672 4.675 4.132 6.424 1.00 0.74 H new ATOM 0 HB3 LYS A 672 5.527 2.637 6.093 1.00 0.74 H new ATOM 0 HG2 LYS A 672 6.195 2.476 8.469 1.00 1.19 H new ATOM 0 HG3 LYS A 672 5.384 3.992 8.810 1.00 1.19 H new ATOM 0 HD2 LYS A 672 3.217 3.012 8.117 1.00 1.39 H new ATOM 0 HD3 LYS A 672 4.013 1.504 7.711 1.00 1.39 H new ATOM 0 HE2 LYS A 672 4.719 1.223 10.070 1.00 1.74 H new ATOM 0 HE3 LYS A 672 3.973 2.752 10.489 1.00 1.74 H new ATOM 0 HZ1 LYS A 672 2.535 0.899 11.029 1.00 2.10 H new ATOM 0 HZ2 LYS A 672 1.821 1.853 9.820 1.00 2.10 H new ATOM 0 HZ3 LYS A 672 2.544 0.372 9.415 1.00 2.10 H new ATOM 862 N GLU A 673 8.396 2.517 6.080 1.00 0.46 N ATOM 863 CA GLU A 673 9.561 1.687 6.357 1.00 0.54 C ATOM 864 C GLU A 673 10.821 2.540 6.435 1.00 0.40 C ATOM 865 O GLU A 673 11.601 2.419 7.378 1.00 0.38 O ATOM 866 CB GLU A 673 9.735 0.610 5.279 1.00 0.79 C ATOM 867 CG GLU A 673 8.600 -0.405 5.222 1.00 0.39 C ATOM 868 CD GLU A 673 8.511 -1.262 6.467 1.00 0.66 C ATOM 869 OE1 GLU A 673 8.099 -0.741 7.525 1.00 1.30 O ATOM 870 OE2 GLU A 673 8.844 -2.464 6.388 1.00 1.22 O ATOM 0 H GLU A 673 7.894 2.265 5.228 1.00 0.46 H new ATOM 0 HA GLU A 673 9.400 1.199 7.318 1.00 0.54 H new ATOM 0 HB2 GLU A 673 9.823 1.095 4.307 1.00 0.79 H new ATOM 0 HB3 GLU A 673 10.672 0.082 5.457 1.00 0.79 H new ATOM 0 HG2 GLU A 673 7.656 0.121 5.081 1.00 0.39 H new ATOM 0 HG3 GLU A 673 8.739 -1.049 4.353 1.00 0.39 H new ATOM 877 N LEU A 674 10.984 3.427 5.462 1.00 0.37 N ATOM 878 CA LEU A 674 12.181 4.250 5.360 1.00 0.38 C ATOM 879 C LEU A 674 12.157 5.413 6.346 1.00 0.38 C ATOM 880 O LEU A 674 13.187 6.024 6.616 1.00 0.44 O ATOM 881 CB LEU A 674 12.342 4.766 3.933 1.00 0.48 C ATOM 882 CG LEU A 674 13.676 4.418 3.273 1.00 0.56 C ATOM 883 CD1 LEU A 674 13.904 2.915 3.283 1.00 0.85 C ATOM 884 CD2 LEU A 674 13.715 4.946 1.853 1.00 1.06 C ATOM 0 H LEU A 674 10.297 3.595 4.727 1.00 0.37 H new ATOM 0 HA LEU A 674 13.036 3.624 5.615 1.00 0.38 H new ATOM 0 HB2 LEU A 674 11.534 4.363 3.322 1.00 0.48 H new ATOM 0 HB3 LEU A 674 12.227 5.850 3.938 1.00 0.48 H new ATOM 0 HG LEU A 674 14.475 4.891 3.844 1.00 0.56 H new ATOM 0 HD11 LEU A 674 14.859 2.689 2.809 1.00 0.85 H new ATOM 0 HD12 LEU A 674 13.916 2.556 4.312 1.00 0.85 H new ATOM 0 HD13 LEU A 674 13.101 2.422 2.736 1.00 0.85 H new ATOM 0 HD21 LEU A 674 14.671 4.691 1.396 1.00 1.06 H new ATOM 0 HD22 LEU A 674 12.906 4.498 1.276 1.00 1.06 H new ATOM 0 HD23 LEU A 674 13.596 6.029 1.864 1.00 1.06 H new ATOM 896 N LYS A 675 10.985 5.732 6.878 1.00 0.39 N ATOM 897 CA LYS A 675 10.889 6.754 7.909 1.00 0.48 C ATOM 898 C LYS A 675 11.249 6.169 9.266 1.00 0.48 C ATOM 899 O LYS A 675 11.737 6.878 10.144 1.00 0.57 O ATOM 900 CB LYS A 675 9.498 7.391 7.939 1.00 0.59 C ATOM 901 CG LYS A 675 9.272 8.388 6.812 1.00 1.04 C ATOM 902 CD LYS A 675 10.141 9.626 6.978 1.00 1.53 C ATOM 903 CE LYS A 675 10.088 10.523 5.751 1.00 2.44 C ATOM 904 NZ LYS A 675 10.870 9.973 4.610 1.00 3.00 N ATOM 0 H LYS A 675 10.097 5.303 6.616 1.00 0.39 H new ATOM 0 HA LYS A 675 11.602 7.543 7.670 1.00 0.48 H new ATOM 0 HB2 LYS A 675 8.744 6.606 7.878 1.00 0.59 H new ATOM 0 HB3 LYS A 675 9.356 7.895 8.895 1.00 0.59 H new ATOM 0 HG2 LYS A 675 9.492 7.913 5.856 1.00 1.04 H new ATOM 0 HG3 LYS A 675 8.222 8.680 6.789 1.00 1.04 H new ATOM 0 HD2 LYS A 675 9.811 10.187 7.853 1.00 1.53 H new ATOM 0 HD3 LYS A 675 11.172 9.324 7.163 1.00 1.53 H new ATOM 0 HE2 LYS A 675 9.050 10.655 5.446 1.00 2.44 H new ATOM 0 HE3 LYS A 675 10.473 11.510 6.009 1.00 2.44 H new ATOM 0 HZ1 LYS A 675 10.873 10.659 3.828 1.00 3.00 H new ATOM 0 HZ2 LYS A 675 11.848 9.791 4.915 1.00 3.00 H new ATOM 0 HZ3 LYS A 675 10.437 9.084 4.289 1.00 3.00 H new ATOM 918 N LYS A 676 11.011 4.874 9.442 1.00 0.43 N ATOM 919 CA LYS A 676 11.493 4.187 10.635 1.00 0.48 C ATOM 920 C LYS A 676 12.987 3.918 10.493 1.00 0.42 C ATOM 921 O LYS A 676 13.773 4.204 11.396 1.00 0.50 O ATOM 922 CB LYS A 676 10.771 2.858 10.866 1.00 0.55 C ATOM 923 CG LYS A 676 9.259 2.916 10.709 1.00 1.42 C ATOM 924 CD LYS A 676 8.588 1.629 11.182 1.00 1.94 C ATOM 925 CE LYS A 676 9.363 0.381 10.773 1.00 2.50 C ATOM 926 NZ LYS A 676 9.604 0.306 9.307 1.00 3.41 N ATOM 0 H LYS A 676 10.496 4.287 8.786 1.00 0.43 H new ATOM 0 HA LYS A 676 11.293 4.833 11.490 1.00 0.48 H new ATOM 0 HB2 LYS A 676 11.166 2.120 10.168 1.00 0.55 H new ATOM 0 HB3 LYS A 676 11.004 2.504 11.870 1.00 0.55 H new ATOM 0 HG2 LYS A 676 8.867 3.760 11.277 1.00 1.42 H new ATOM 0 HG3 LYS A 676 9.009 3.092 9.663 1.00 1.42 H new ATOM 0 HD2 LYS A 676 8.490 1.652 12.267 1.00 1.94 H new ATOM 0 HD3 LYS A 676 7.580 1.577 10.772 1.00 1.94 H new ATOM 0 HE2 LYS A 676 10.320 0.366 11.295 1.00 2.50 H new ATOM 0 HE3 LYS A 676 8.812 -0.504 11.092 1.00 2.50 H new ATOM 0 HZ1 LYS A 676 9.096 -0.511 8.913 1.00 3.41 H new ATOM 0 HZ2 LYS A 676 9.262 1.177 8.854 1.00 3.41 H new ATOM 0 HZ3 LYS A 676 10.623 0.200 9.128 1.00 3.41 H new ATOM 940 N ASP A 677 13.360 3.362 9.344 1.00 0.37 N ATOM 941 CA ASP A 677 14.747 3.029 9.044 1.00 0.44 C ATOM 942 C ASP A 677 15.117 3.637 7.698 1.00 0.38 C ATOM 943 O ASP A 677 14.611 3.206 6.665 1.00 0.33 O ATOM 944 CB ASP A 677 14.940 1.511 8.967 1.00 0.60 C ATOM 945 CG ASP A 677 14.281 0.750 10.099 1.00 1.40 C ATOM 946 OD1 ASP A 677 13.069 0.466 10.002 1.00 2.13 O ATOM 947 OD2 ASP A 677 14.965 0.463 11.108 1.00 1.68 O ATOM 0 H ASP A 677 12.708 3.130 8.595 1.00 0.37 H new ATOM 0 HA ASP A 677 15.381 3.424 9.837 1.00 0.44 H new ATOM 0 HB2 ASP A 677 14.540 1.151 8.019 1.00 0.60 H new ATOM 0 HB3 ASP A 677 16.007 1.290 8.967 1.00 0.60 H new ATOM 952 N SER A 678 16.005 4.619 7.706 1.00 0.47 N ATOM 953 CA SER A 678 16.303 5.399 6.506 1.00 0.52 C ATOM 954 C SER A 678 17.027 4.567 5.448 1.00 0.47 C ATOM 955 O SER A 678 16.937 4.848 4.251 1.00 0.52 O ATOM 956 CB SER A 678 17.138 6.629 6.880 1.00 0.72 C ATOM 957 OG SER A 678 18.251 6.267 7.686 1.00 0.83 O ATOM 0 H SER A 678 16.536 4.898 8.531 1.00 0.47 H new ATOM 0 HA SER A 678 15.356 5.720 6.073 1.00 0.52 H new ATOM 0 HB2 SER A 678 17.487 7.124 5.974 1.00 0.72 H new ATOM 0 HB3 SER A 678 16.515 7.346 7.415 1.00 0.72 H new ATOM 0 HG SER A 678 18.768 7.069 7.909 1.00 0.83 H new ATOM 963 N SER A 679 17.731 3.545 5.891 1.00 0.45 N ATOM 964 CA SER A 679 18.454 2.671 4.984 1.00 0.48 C ATOM 965 C SER A 679 17.936 1.243 5.093 1.00 0.42 C ATOM 966 O SER A 679 18.701 0.277 5.050 1.00 0.58 O ATOM 967 CB SER A 679 19.956 2.742 5.271 1.00 0.64 C ATOM 968 OG SER A 679 20.208 2.864 6.664 1.00 1.54 O ATOM 0 H SER A 679 17.819 3.297 6.877 1.00 0.45 H new ATOM 0 HA SER A 679 18.288 3.006 3.960 1.00 0.48 H new ATOM 0 HB2 SER A 679 20.445 1.846 4.887 1.00 0.64 H new ATOM 0 HB3 SER A 679 20.390 3.592 4.745 1.00 0.64 H new ATOM 0 HG SER A 679 21.175 2.906 6.819 1.00 1.54 H new ATOM 974 N ARG A 680 16.622 1.120 5.231 1.00 0.35 N ATOM 975 CA ARG A 680 15.981 -0.175 5.366 1.00 0.45 C ATOM 976 C ARG A 680 15.757 -0.800 4.001 1.00 0.34 C ATOM 977 O ARG A 680 14.877 -0.373 3.249 1.00 0.34 O ATOM 978 CB ARG A 680 14.649 -0.025 6.094 1.00 0.64 C ATOM 979 CG ARG A 680 13.953 -1.339 6.389 1.00 0.66 C ATOM 980 CD ARG A 680 12.707 -1.115 7.227 1.00 1.09 C ATOM 981 NE ARG A 680 12.016 -2.363 7.538 1.00 1.07 N ATOM 982 CZ ARG A 680 11.541 -2.669 8.744 1.00 1.63 C ATOM 983 NH1 ARG A 680 11.769 -1.871 9.783 1.00 2.62 N ATOM 984 NH2 ARG A 680 10.857 -3.790 8.924 1.00 1.71 N ATOM 0 H ARG A 680 15.978 1.910 5.252 1.00 0.35 H new ATOM 0 HA ARG A 680 16.634 -0.827 5.946 1.00 0.45 H new ATOM 0 HB2 ARG A 680 14.818 0.503 7.033 1.00 0.64 H new ATOM 0 HB3 ARG A 680 13.987 0.598 5.493 1.00 0.64 H new ATOM 0 HG2 ARG A 680 13.684 -1.831 5.454 1.00 0.66 H new ATOM 0 HG3 ARG A 680 14.635 -2.007 6.915 1.00 0.66 H new ATOM 0 HD2 ARG A 680 12.981 -0.613 8.155 1.00 1.09 H new ATOM 0 HD3 ARG A 680 12.028 -0.450 6.694 1.00 1.09 H new ATOM 0 HE ARG A 680 11.889 -3.041 6.787 1.00 1.07 H new ATOM 0 HH11 ARG A 680 12.312 -1.016 9.660 1.00 2.62 H new ATOM 0 HH12 ARG A 680 11.401 -2.114 10.703 1.00 2.62 H new ATOM 0 HH21 ARG A 680 10.694 -4.420 8.138 1.00 1.71 H new ATOM 0 HH22 ARG A 680 10.494 -4.023 9.848 1.00 1.71 H new ATOM 998 N ALA A 681 16.557 -1.805 3.684 1.00 0.36 N ATOM 999 CA ALA A 681 16.408 -2.525 2.434 1.00 0.31 C ATOM 1000 C ALA A 681 15.148 -3.378 2.471 1.00 0.27 C ATOM 1001 O ALA A 681 14.777 -3.911 3.520 1.00 0.34 O ATOM 1002 CB ALA A 681 17.632 -3.389 2.163 1.00 0.40 C ATOM 0 H ALA A 681 17.316 -2.140 4.277 1.00 0.36 H new ATOM 0 HA ALA A 681 16.318 -1.802 1.623 1.00 0.31 H new ATOM 0 HB1 ALA A 681 17.500 -3.921 1.221 1.00 0.40 H new ATOM 0 HB2 ALA A 681 18.518 -2.756 2.102 1.00 0.40 H new ATOM 0 HB3 ALA A 681 17.755 -4.109 2.972 1.00 0.40 H new ATOM 1008 N PRO A 682 14.466 -3.506 1.330 1.00 0.24 N ATOM 1009 CA PRO A 682 13.241 -4.286 1.230 1.00 0.23 C ATOM 1010 C PRO A 682 13.535 -5.774 1.254 1.00 0.25 C ATOM 1011 O PRO A 682 14.502 -6.226 0.634 1.00 0.31 O ATOM 1012 CB PRO A 682 12.657 -3.892 -0.136 1.00 0.27 C ATOM 1013 CG PRO A 682 13.524 -2.793 -0.662 1.00 0.29 C ATOM 1014 CD PRO A 682 14.840 -2.918 0.042 1.00 0.31 C ATOM 0 HA PRO A 682 12.564 -4.091 2.061 1.00 0.23 H new ATOM 0 HB2 PRO A 682 12.652 -4.743 -0.817 1.00 0.27 H new ATOM 0 HB3 PRO A 682 11.624 -3.558 -0.036 1.00 0.27 H new ATOM 0 HG2 PRO A 682 13.651 -2.881 -1.741 1.00 0.29 H new ATOM 0 HG3 PRO A 682 13.073 -1.819 -0.473 1.00 0.29 H new ATOM 0 HD2 PRO A 682 15.533 -3.555 -0.507 1.00 0.31 H new ATOM 0 HD3 PRO A 682 15.326 -1.950 0.165 1.00 0.31 H new ATOM 1022 N PRO A 683 12.739 -6.561 1.988 1.00 0.25 N ATOM 1023 CA PRO A 683 12.833 -8.013 1.928 1.00 0.27 C ATOM 1024 C PRO A 683 12.560 -8.490 0.510 1.00 0.29 C ATOM 1025 O PRO A 683 11.742 -7.890 -0.183 1.00 0.38 O ATOM 1026 CB PRO A 683 11.748 -8.507 2.894 1.00 0.32 C ATOM 1027 CG PRO A 683 10.851 -7.333 3.118 1.00 0.38 C ATOM 1028 CD PRO A 683 11.699 -6.106 2.927 1.00 0.28 C ATOM 0 HA PRO A 683 13.820 -8.388 2.199 1.00 0.27 H new ATOM 0 HB2 PRO A 683 11.197 -9.347 2.470 1.00 0.32 H new ATOM 0 HB3 PRO A 683 12.184 -8.852 3.831 1.00 0.32 H new ATOM 0 HG2 PRO A 683 10.018 -7.342 2.416 1.00 0.38 H new ATOM 0 HG3 PRO A 683 10.423 -7.357 4.120 1.00 0.38 H new ATOM 0 HD2 PRO A 683 11.122 -5.277 2.518 1.00 0.28 H new ATOM 0 HD3 PRO A 683 12.128 -5.762 3.868 1.00 0.28 H new ATOM 1036 N ASP A 684 13.260 -9.520 0.062 1.00 0.37 N ATOM 1037 CA ASP A 684 13.195 -9.932 -1.341 1.00 0.47 C ATOM 1038 C ASP A 684 11.753 -10.146 -1.790 1.00 0.37 C ATOM 1039 O ASP A 684 11.307 -9.568 -2.784 1.00 0.40 O ATOM 1040 CB ASP A 684 14.006 -11.204 -1.563 1.00 0.70 C ATOM 1041 CG ASP A 684 14.130 -11.560 -3.030 1.00 1.52 C ATOM 1042 OD1 ASP A 684 15.023 -11.007 -3.703 1.00 2.24 O ATOM 1043 OD2 ASP A 684 13.345 -12.404 -3.514 1.00 2.04 O ATOM 0 H ASP A 684 13.878 -10.087 0.642 1.00 0.37 H new ATOM 0 HA ASP A 684 13.623 -9.129 -1.942 1.00 0.47 H new ATOM 0 HB2 ASP A 684 15.001 -11.076 -1.137 1.00 0.70 H new ATOM 0 HB3 ASP A 684 13.535 -12.030 -1.030 1.00 0.70 H new ATOM 1048 N ASP A 685 11.029 -10.964 -1.042 1.00 0.36 N ATOM 1049 CA ASP A 685 9.635 -11.259 -1.347 1.00 0.39 C ATOM 1050 C ASP A 685 8.845 -11.394 -0.053 1.00 0.34 C ATOM 1051 O ASP A 685 9.402 -11.276 1.041 1.00 0.31 O ATOM 1052 CB ASP A 685 9.549 -12.533 -2.194 1.00 0.61 C ATOM 1053 CG ASP A 685 8.166 -12.780 -2.763 1.00 1.11 C ATOM 1054 OD1 ASP A 685 7.787 -12.094 -3.734 1.00 1.95 O ATOM 1055 OD2 ASP A 685 7.447 -13.650 -2.231 1.00 1.54 O ATOM 0 H ASP A 685 11.386 -11.439 -0.213 1.00 0.36 H new ATOM 0 HA ASP A 685 9.201 -10.442 -1.924 1.00 0.39 H new ATOM 0 HB2 ASP A 685 10.265 -12.466 -3.013 1.00 0.61 H new ATOM 0 HB3 ASP A 685 9.842 -13.388 -1.584 1.00 0.61 H new ATOM 1060 N LEU A 686 7.558 -11.644 -0.184 1.00 0.39 N ATOM 1061 CA LEU A 686 6.639 -11.594 0.931 1.00 0.39 C ATOM 1062 C LEU A 686 6.713 -12.873 1.760 1.00 0.40 C ATOM 1063 O LEU A 686 6.056 -13.863 1.444 1.00 0.47 O ATOM 1064 CB LEU A 686 5.229 -11.396 0.376 1.00 0.51 C ATOM 1065 CG LEU A 686 4.209 -10.844 1.360 1.00 0.50 C ATOM 1066 CD1 LEU A 686 4.617 -9.457 1.818 1.00 1.27 C ATOM 1067 CD2 LEU A 686 2.828 -10.812 0.725 1.00 0.94 C ATOM 0 H LEU A 686 7.120 -11.889 -1.072 1.00 0.39 H new ATOM 0 HA LEU A 686 6.905 -10.767 1.589 1.00 0.39 H new ATOM 0 HB2 LEU A 686 5.285 -10.722 -0.479 1.00 0.51 H new ATOM 0 HB3 LEU A 686 4.866 -12.354 0.003 1.00 0.51 H new ATOM 0 HG LEU A 686 4.173 -11.498 2.231 1.00 0.50 H new ATOM 0 HD11 LEU A 686 3.878 -9.074 2.522 1.00 1.27 H new ATOM 0 HD12 LEU A 686 5.591 -9.507 2.305 1.00 1.27 H new ATOM 0 HD13 LEU A 686 4.676 -8.792 0.956 1.00 1.27 H new ATOM 0 HD21 LEU A 686 2.108 -10.415 1.440 1.00 0.94 H new ATOM 0 HD22 LEU A 686 2.849 -10.176 -0.160 1.00 0.94 H new ATOM 0 HD23 LEU A 686 2.536 -11.822 0.439 1.00 0.94 H new ATOM 1079 N THR A 687 7.518 -12.849 2.818 1.00 0.40 N ATOM 1080 CA THR A 687 7.608 -13.975 3.738 1.00 0.47 C ATOM 1081 C THR A 687 6.397 -13.991 4.667 1.00 0.42 C ATOM 1082 O THR A 687 5.720 -12.978 4.797 1.00 0.46 O ATOM 1083 CB THR A 687 8.897 -13.907 4.575 1.00 0.58 C ATOM 1084 OG1 THR A 687 9.672 -12.762 4.193 1.00 0.76 O ATOM 1085 CG2 THR A 687 9.725 -15.171 4.395 1.00 1.00 C ATOM 0 H THR A 687 8.118 -12.060 3.059 1.00 0.40 H new ATOM 0 HA THR A 687 7.628 -14.890 3.147 1.00 0.47 H new ATOM 0 HB THR A 687 8.618 -13.820 5.625 1.00 0.58 H new ATOM 0 HG1 THR A 687 10.490 -12.726 4.732 1.00 0.76 H new ATOM 0 HG21 THR A 687 10.632 -15.101 4.996 1.00 1.00 H new ATOM 0 HG22 THR A 687 9.143 -16.036 4.715 1.00 1.00 H new ATOM 0 HG23 THR A 687 9.994 -15.283 3.345 1.00 1.00 H new ATOM 1093 N LYS A 688 6.154 -15.128 5.322 1.00 0.42 N ATOM 1094 CA LYS A 688 4.952 -15.331 6.145 1.00 0.41 C ATOM 1095 C LYS A 688 4.656 -14.143 7.063 1.00 0.35 C ATOM 1096 O LYS A 688 3.542 -13.614 7.059 1.00 0.34 O ATOM 1097 CB LYS A 688 5.097 -16.596 6.995 1.00 0.54 C ATOM 1098 CG LYS A 688 3.893 -16.869 7.890 1.00 1.39 C ATOM 1099 CD LYS A 688 4.211 -17.901 8.961 1.00 1.84 C ATOM 1100 CE LYS A 688 4.461 -19.280 8.369 1.00 2.44 C ATOM 1101 NZ LYS A 688 3.207 -19.922 7.895 1.00 2.94 N ATOM 0 H LYS A 688 6.780 -15.933 5.300 1.00 0.42 H new ATOM 0 HA LYS A 688 4.117 -15.433 5.452 1.00 0.41 H new ATOM 0 HB2 LYS A 688 5.251 -17.451 6.337 1.00 0.54 H new ATOM 0 HB3 LYS A 688 5.988 -16.507 7.616 1.00 0.54 H new ATOM 0 HG2 LYS A 688 3.573 -15.940 8.363 1.00 1.39 H new ATOM 0 HG3 LYS A 688 3.060 -17.221 7.282 1.00 1.39 H new ATOM 0 HD2 LYS A 688 5.090 -17.583 9.521 1.00 1.84 H new ATOM 0 HD3 LYS A 688 3.384 -17.955 9.669 1.00 1.84 H new ATOM 0 HE2 LYS A 688 5.161 -19.195 7.538 1.00 2.44 H new ATOM 0 HE3 LYS A 688 4.932 -19.916 9.119 1.00 2.44 H new ATOM 0 HZ1 LYS A 688 3.414 -20.885 7.562 1.00 2.94 H new ATOM 0 HZ2 LYS A 688 2.522 -19.966 8.677 1.00 2.94 H new ATOM 0 HZ3 LYS A 688 2.805 -19.365 7.114 1.00 2.94 H new ATOM 1115 N GLY A 689 5.654 -13.729 7.835 1.00 0.43 N ATOM 1116 CA GLY A 689 5.458 -12.670 8.807 1.00 0.48 C ATOM 1117 C GLY A 689 5.020 -11.364 8.176 1.00 0.39 C ATOM 1118 O GLY A 689 3.995 -10.796 8.553 1.00 0.44 O ATOM 0 H GLY A 689 6.600 -14.110 7.805 1.00 0.43 H new ATOM 0 HA2 GLY A 689 4.710 -12.985 9.534 1.00 0.48 H new ATOM 0 HA3 GLY A 689 6.387 -12.510 9.354 1.00 0.48 H new ATOM 1122 N LYS A 690 5.784 -10.897 7.201 1.00 0.37 N ATOM 1123 CA LYS A 690 5.488 -9.632 6.546 1.00 0.34 C ATOM 1124 C LYS A 690 4.253 -9.772 5.656 1.00 0.23 C ATOM 1125 O LYS A 690 3.537 -8.802 5.420 1.00 0.24 O ATOM 1126 CB LYS A 690 6.705 -9.160 5.737 1.00 0.48 C ATOM 1127 CG LYS A 690 6.644 -7.702 5.289 1.00 0.73 C ATOM 1128 CD LYS A 690 6.331 -6.768 6.451 1.00 0.83 C ATOM 1129 CE LYS A 690 6.626 -5.311 6.114 1.00 0.84 C ATOM 1130 NZ LYS A 690 8.064 -4.972 6.307 1.00 0.95 N ATOM 0 H LYS A 690 6.613 -11.374 6.846 1.00 0.37 H new ATOM 0 HA LYS A 690 5.272 -8.880 7.304 1.00 0.34 H new ATOM 0 HB2 LYS A 690 7.603 -9.304 6.338 1.00 0.48 H new ATOM 0 HB3 LYS A 690 6.807 -9.793 4.856 1.00 0.48 H new ATOM 0 HG2 LYS A 690 7.596 -7.419 4.841 1.00 0.73 H new ATOM 0 HG3 LYS A 690 5.883 -7.590 4.517 1.00 0.73 H new ATOM 0 HD2 LYS A 690 5.281 -6.870 6.725 1.00 0.83 H new ATOM 0 HD3 LYS A 690 6.917 -7.064 7.321 1.00 0.83 H new ATOM 0 HE2 LYS A 690 6.343 -5.114 5.080 1.00 0.84 H new ATOM 0 HE3 LYS A 690 6.014 -4.663 6.741 1.00 0.84 H new ATOM 0 HZ1 LYS A 690 8.158 -3.955 6.503 1.00 0.95 H new ATOM 0 HZ2 LYS A 690 8.444 -5.515 7.108 1.00 0.95 H new ATOM 0 HZ3 LYS A 690 8.595 -5.209 5.445 1.00 0.95 H new ATOM 1144 N ARG A 691 3.999 -10.993 5.190 1.00 0.24 N ATOM 1145 CA ARG A 691 2.831 -11.290 4.365 1.00 0.26 C ATOM 1146 C ARG A 691 1.548 -11.008 5.133 1.00 0.28 C ATOM 1147 O ARG A 691 0.635 -10.362 4.619 1.00 0.34 O ATOM 1148 CB ARG A 691 2.868 -12.751 3.903 1.00 0.40 C ATOM 1149 CG ARG A 691 1.713 -13.147 3.000 1.00 0.53 C ATOM 1150 CD ARG A 691 2.046 -14.393 2.189 1.00 0.76 C ATOM 1151 NE ARG A 691 2.320 -15.557 3.032 1.00 1.38 N ATOM 1152 CZ ARG A 691 3.389 -16.345 2.890 1.00 1.90 C ATOM 1153 NH1 ARG A 691 4.328 -16.042 2.002 1.00 2.02 N ATOM 1154 NH2 ARG A 691 3.531 -17.428 3.649 1.00 2.83 N ATOM 0 H ARG A 691 4.594 -11.801 5.373 1.00 0.24 H new ATOM 0 HA ARG A 691 2.853 -10.645 3.487 1.00 0.26 H new ATOM 0 HB2 ARG A 691 3.805 -12.930 3.376 1.00 0.40 H new ATOM 0 HB3 ARG A 691 2.867 -13.398 4.780 1.00 0.40 H new ATOM 0 HG2 ARG A 691 0.824 -13.330 3.603 1.00 0.53 H new ATOM 0 HG3 ARG A 691 1.477 -12.324 2.326 1.00 0.53 H new ATOM 0 HD2 ARG A 691 1.215 -14.620 1.521 1.00 0.76 H new ATOM 0 HD3 ARG A 691 2.914 -14.192 1.561 1.00 0.76 H new ATOM 0 HE ARG A 691 1.655 -15.780 3.772 1.00 1.38 H new ATOM 0 HH11 ARG A 691 4.234 -15.205 1.426 1.00 2.02 H new ATOM 0 HH12 ARG A 691 5.143 -16.646 1.896 1.00 2.02 H new ATOM 0 HH21 ARG A 691 2.821 -17.660 4.344 1.00 2.83 H new ATOM 0 HH22 ARG A 691 4.349 -18.026 3.536 1.00 2.83 H new ATOM 1168 N HIS A 692 1.491 -11.480 6.369 1.00 0.31 N ATOM 1169 CA HIS A 692 0.340 -11.227 7.218 1.00 0.41 C ATOM 1170 C HIS A 692 0.245 -9.741 7.554 1.00 0.40 C ATOM 1171 O HIS A 692 -0.844 -9.180 7.605 1.00 0.48 O ATOM 1172 CB HIS A 692 0.414 -12.065 8.505 1.00 0.54 C ATOM 1173 CG HIS A 692 -0.686 -11.764 9.484 1.00 0.90 C ATOM 1174 ND1 HIS A 692 -0.457 -11.495 10.813 1.00 1.60 N ATOM 1175 CD2 HIS A 692 -2.027 -11.671 9.311 1.00 1.58 C ATOM 1176 CE1 HIS A 692 -1.605 -11.247 11.415 1.00 1.90 C ATOM 1177 NE2 HIS A 692 -2.578 -11.343 10.525 1.00 1.83 N ATOM 0 H HIS A 692 2.226 -12.038 6.804 1.00 0.31 H new ATOM 0 HA HIS A 692 -0.557 -11.520 6.673 1.00 0.41 H new ATOM 0 HB2 HIS A 692 0.376 -13.122 8.243 1.00 0.54 H new ATOM 0 HB3 HIS A 692 1.376 -11.891 8.987 1.00 0.54 H new ATOM 0 HD2 HIS A 692 -2.564 -11.826 8.387 1.00 1.58 H new ATOM 0 HE1 HIS A 692 -1.729 -11.006 12.460 1.00 1.90 H new ATOM 0 HE2 HIS A 692 -3.571 -11.198 10.709 1.00 1.83 H new ATOM 1186 N LYS A 693 1.388 -9.108 7.776 1.00 0.34 N ATOM 1187 CA LYS A 693 1.413 -7.707 8.176 1.00 0.38 C ATOM 1188 C LYS A 693 0.994 -6.764 7.046 1.00 0.30 C ATOM 1189 O LYS A 693 0.228 -5.832 7.282 1.00 0.35 O ATOM 1190 CB LYS A 693 2.784 -7.334 8.740 1.00 0.45 C ATOM 1191 CG LYS A 693 3.119 -8.123 9.995 1.00 1.15 C ATOM 1192 CD LYS A 693 4.337 -7.582 10.719 1.00 1.51 C ATOM 1193 CE LYS A 693 4.647 -8.420 11.951 1.00 1.69 C ATOM 1194 NZ LYS A 693 5.735 -7.832 12.773 1.00 1.99 N ATOM 0 H LYS A 693 2.308 -9.540 7.687 1.00 0.34 H new ATOM 0 HA LYS A 693 0.671 -7.583 8.965 1.00 0.38 H new ATOM 0 HB2 LYS A 693 3.548 -7.515 7.984 1.00 0.45 H new ATOM 0 HB3 LYS A 693 2.805 -6.268 8.966 1.00 0.45 H new ATOM 0 HG2 LYS A 693 2.263 -8.105 10.670 1.00 1.15 H new ATOM 0 HG3 LYS A 693 3.293 -9.165 9.728 1.00 1.15 H new ATOM 0 HD2 LYS A 693 5.195 -7.583 10.047 1.00 1.51 H new ATOM 0 HD3 LYS A 693 4.162 -6.547 11.012 1.00 1.51 H new ATOM 0 HE2 LYS A 693 3.747 -8.516 12.558 1.00 1.69 H new ATOM 0 HE3 LYS A 693 4.931 -9.426 11.642 1.00 1.69 H new ATOM 0 HZ1 LYS A 693 5.911 -8.437 13.600 1.00 1.99 H new ATOM 0 HZ2 LYS A 693 6.602 -7.764 12.203 1.00 1.99 H new ATOM 0 HZ3 LYS A 693 5.455 -6.883 13.092 1.00 1.99 H new ATOM 1208 N VAL A 694 1.476 -6.999 5.824 1.00 0.22 N ATOM 1209 CA VAL A 694 1.054 -6.178 4.685 1.00 0.20 C ATOM 1210 C VAL A 694 -0.431 -6.417 4.400 1.00 0.22 C ATOM 1211 O VAL A 694 -1.161 -5.504 4.017 1.00 0.25 O ATOM 1212 CB VAL A 694 1.888 -6.437 3.406 1.00 0.19 C ATOM 1213 CG1 VAL A 694 3.364 -6.176 3.668 1.00 0.24 C ATOM 1214 CG2 VAL A 694 1.674 -7.846 2.868 1.00 0.19 C ATOM 0 H VAL A 694 2.145 -7.735 5.599 1.00 0.22 H new ATOM 0 HA VAL A 694 1.223 -5.137 4.962 1.00 0.20 H new ATOM 0 HB VAL A 694 1.543 -5.742 2.641 1.00 0.19 H new ATOM 0 HG11 VAL A 694 3.934 -6.363 2.758 1.00 0.24 H new ATOM 0 HG12 VAL A 694 3.501 -5.139 3.975 1.00 0.24 H new ATOM 0 HG13 VAL A 694 3.716 -6.838 4.459 1.00 0.24 H new ATOM 0 HG21 VAL A 694 2.276 -7.988 1.971 1.00 0.19 H new ATOM 0 HG22 VAL A 694 1.971 -8.573 3.624 1.00 0.19 H new ATOM 0 HG23 VAL A 694 0.621 -7.986 2.624 1.00 0.19 H new ATOM 1224 N LYS A 695 -0.865 -7.657 4.626 1.00 0.22 N ATOM 1225 CA LYS A 695 -2.267 -8.037 4.484 1.00 0.27 C ATOM 1226 C LYS A 695 -3.129 -7.349 5.544 1.00 0.31 C ATOM 1227 O LYS A 695 -4.167 -6.771 5.228 1.00 0.36 O ATOM 1228 CB LYS A 695 -2.396 -9.562 4.605 1.00 0.30 C ATOM 1229 CG LYS A 695 -3.793 -10.049 4.970 1.00 0.98 C ATOM 1230 CD LYS A 695 -4.805 -9.784 3.866 1.00 1.59 C ATOM 1231 CE LYS A 695 -6.228 -9.990 4.363 1.00 2.05 C ATOM 1232 NZ LYS A 695 -6.432 -11.346 4.933 1.00 2.49 N ATOM 0 H LYS A 695 -0.255 -8.423 4.912 1.00 0.22 H new ATOM 0 HA LYS A 695 -2.620 -7.717 3.504 1.00 0.27 H new ATOM 0 HB2 LYS A 695 -2.102 -10.015 3.658 1.00 0.30 H new ATOM 0 HB3 LYS A 695 -1.693 -9.915 5.359 1.00 0.30 H new ATOM 0 HG2 LYS A 695 -3.759 -11.118 5.179 1.00 0.98 H new ATOM 0 HG3 LYS A 695 -4.120 -9.555 5.885 1.00 0.98 H new ATOM 0 HD2 LYS A 695 -4.689 -8.764 3.500 1.00 1.59 H new ATOM 0 HD3 LYS A 695 -4.611 -10.449 3.024 1.00 1.59 H new ATOM 0 HE2 LYS A 695 -6.459 -9.241 5.120 1.00 2.05 H new ATOM 0 HE3 LYS A 695 -6.925 -9.835 3.539 1.00 2.05 H new ATOM 0 HZ1 LYS A 695 -7.449 -11.515 5.070 1.00 2.49 H new ATOM 0 HZ2 LYS A 695 -6.047 -12.058 4.280 1.00 2.49 H new ATOM 0 HZ3 LYS A 695 -5.943 -11.415 5.848 1.00 2.49 H new ATOM 1246 N GLU A 696 -2.696 -7.416 6.797 1.00 0.34 N ATOM 1247 CA GLU A 696 -3.463 -6.867 7.910 1.00 0.43 C ATOM 1248 C GLU A 696 -3.535 -5.348 7.812 1.00 0.36 C ATOM 1249 O GLU A 696 -4.588 -4.750 8.047 1.00 0.39 O ATOM 1250 CB GLU A 696 -2.838 -7.281 9.243 1.00 0.55 C ATOM 1251 CG GLU A 696 -3.819 -7.276 10.401 1.00 1.22 C ATOM 1252 CD GLU A 696 -4.860 -8.370 10.273 1.00 1.97 C ATOM 1253 OE1 GLU A 696 -4.577 -9.514 10.694 1.00 2.62 O ATOM 1254 OE2 GLU A 696 -5.963 -8.103 9.754 1.00 2.45 O ATOM 0 H GLU A 696 -1.813 -7.847 7.069 1.00 0.34 H new ATOM 0 HA GLU A 696 -4.476 -7.266 7.859 1.00 0.43 H new ATOM 0 HB2 GLU A 696 -2.414 -8.280 9.141 1.00 0.55 H new ATOM 0 HB3 GLU A 696 -2.013 -6.606 9.473 1.00 0.55 H new ATOM 0 HG2 GLU A 696 -3.275 -7.402 11.337 1.00 1.22 H new ATOM 0 HG3 GLU A 696 -4.316 -6.307 10.450 1.00 1.22 H new ATOM 1261 N PHE A 697 -2.410 -4.733 7.451 1.00 0.31 N ATOM 1262 CA PHE A 697 -2.355 -3.293 7.248 1.00 0.31 C ATOM 1263 C PHE A 697 -3.346 -2.871 6.176 1.00 0.27 C ATOM 1264 O PHE A 697 -4.172 -1.981 6.395 1.00 0.30 O ATOM 1265 CB PHE A 697 -0.935 -2.855 6.853 1.00 0.37 C ATOM 1266 CG PHE A 697 -0.890 -1.535 6.127 1.00 0.36 C ATOM 1267 CD1 PHE A 697 -1.084 -0.347 6.818 1.00 0.52 C ATOM 1268 CD2 PHE A 697 -0.633 -1.478 4.766 1.00 0.30 C ATOM 1269 CE1 PHE A 697 -1.019 0.870 6.168 1.00 0.59 C ATOM 1270 CE2 PHE A 697 -0.574 -0.262 4.109 1.00 0.34 C ATOM 1271 CZ PHE A 697 -0.847 0.888 4.763 1.00 0.49 C ATOM 0 H PHE A 697 -1.524 -5.214 7.294 1.00 0.31 H new ATOM 0 HA PHE A 697 -2.621 -2.806 8.186 1.00 0.31 H new ATOM 0 HB2 PHE A 697 -0.322 -2.787 7.752 1.00 0.37 H new ATOM 0 HB3 PHE A 697 -0.490 -3.623 6.221 1.00 0.37 H new ATOM 0 HD1 PHE A 697 -1.289 -0.375 7.878 1.00 0.52 H new ATOM 0 HD2 PHE A 697 -0.477 -2.392 4.213 1.00 0.30 H new ATOM 0 HE1 PHE A 697 -1.098 1.793 6.723 1.00 0.59 H new ATOM 0 HE2 PHE A 697 -0.307 -0.232 3.063 1.00 0.34 H new ATOM 0 HZ PHE A 697 -0.934 1.816 4.217 1.00 0.49 H new ATOM 1281 N ILE A 698 -3.279 -3.528 5.024 1.00 0.24 N ATOM 1282 CA ILE A 698 -4.127 -3.158 3.910 1.00 0.24 C ATOM 1283 C ILE A 698 -5.581 -3.483 4.223 1.00 0.25 C ATOM 1284 O ILE A 698 -6.469 -2.747 3.836 1.00 0.29 O ATOM 1285 CB ILE A 698 -3.679 -3.799 2.570 1.00 0.26 C ATOM 1286 CG1 ILE A 698 -4.351 -3.085 1.397 1.00 0.38 C ATOM 1287 CG2 ILE A 698 -3.988 -5.288 2.525 1.00 0.31 C ATOM 1288 CD1 ILE A 698 -4.166 -1.584 1.418 1.00 1.25 C ATOM 0 H ILE A 698 -2.651 -4.311 4.843 1.00 0.24 H new ATOM 0 HA ILE A 698 -4.028 -2.081 3.774 1.00 0.24 H new ATOM 0 HB ILE A 698 -2.598 -3.685 2.492 1.00 0.26 H new ATOM 0 HG12 ILE A 698 -3.949 -3.480 0.464 1.00 0.38 H new ATOM 0 HG13 ILE A 698 -5.417 -3.312 1.406 1.00 0.38 H new ATOM 0 HG21 ILE A 698 -3.659 -5.699 1.571 1.00 0.31 H new ATOM 0 HG22 ILE A 698 -3.465 -5.793 3.337 1.00 0.31 H new ATOM 0 HG23 ILE A 698 -5.062 -5.440 2.635 1.00 0.31 H new ATOM 0 HD11 ILE A 698 -4.669 -1.143 0.557 1.00 1.25 H new ATOM 0 HD12 ILE A 698 -4.593 -1.178 2.335 1.00 1.25 H new ATOM 0 HD13 ILE A 698 -3.103 -1.348 1.377 1.00 1.25 H new ATOM 1300 N ASN A 699 -5.811 -4.572 4.943 1.00 0.26 N ATOM 1301 CA ASN A 699 -7.157 -4.933 5.385 1.00 0.31 C ATOM 1302 C ASN A 699 -7.830 -3.757 6.099 1.00 0.33 C ATOM 1303 O ASN A 699 -8.947 -3.367 5.756 1.00 0.37 O ATOM 1304 CB ASN A 699 -7.077 -6.152 6.316 1.00 0.35 C ATOM 1305 CG ASN A 699 -8.336 -6.374 7.135 1.00 0.42 C ATOM 1306 OD1 ASN A 699 -9.266 -7.056 6.704 1.00 0.49 O ATOM 1307 ND2 ASN A 699 -8.357 -5.814 8.335 1.00 0.47 N ATOM 0 H ASN A 699 -5.083 -5.224 5.236 1.00 0.26 H new ATOM 0 HA ASN A 699 -7.761 -5.183 4.513 1.00 0.31 H new ATOM 0 HB2 ASN A 699 -6.880 -7.042 5.719 1.00 0.35 H new ATOM 0 HB3 ASN A 699 -6.231 -6.028 6.992 1.00 0.35 H new ATOM 0 HD21 ASN A 699 -9.167 -5.940 8.943 1.00 0.47 H new ATOM 0 HD22 ASN A 699 -7.564 -5.257 8.652 1.00 0.47 H new ATOM 1314 N SER A 700 -7.130 -3.178 7.065 1.00 0.34 N ATOM 1315 CA SER A 700 -7.646 -2.040 7.812 1.00 0.39 C ATOM 1316 C SER A 700 -7.696 -0.779 6.942 1.00 0.38 C ATOM 1317 O SER A 700 -8.629 0.021 7.043 1.00 0.45 O ATOM 1318 CB SER A 700 -6.767 -1.795 9.035 1.00 0.44 C ATOM 1319 OG SER A 700 -6.562 -2.997 9.760 1.00 1.42 O ATOM 0 H SER A 700 -6.198 -3.480 7.350 1.00 0.34 H new ATOM 0 HA SER A 700 -8.664 -2.268 8.128 1.00 0.39 H new ATOM 0 HB2 SER A 700 -5.806 -1.386 8.721 1.00 0.44 H new ATOM 0 HB3 SER A 700 -7.234 -1.051 9.681 1.00 0.44 H new ATOM 0 HG SER A 700 -5.891 -3.545 9.302 1.00 1.42 H new ATOM 1325 N TYR A 701 -6.689 -0.612 6.090 1.00 0.33 N ATOM 1326 CA TYR A 701 -6.607 0.549 5.207 1.00 0.36 C ATOM 1327 C TYR A 701 -7.795 0.572 4.237 1.00 0.35 C ATOM 1328 O TYR A 701 -8.421 1.610 4.033 1.00 0.42 O ATOM 1329 CB TYR A 701 -5.273 0.525 4.445 1.00 0.38 C ATOM 1330 CG TYR A 701 -5.010 1.734 3.568 1.00 0.45 C ATOM 1331 CD1 TYR A 701 -5.454 3.001 3.927 1.00 1.37 C ATOM 1332 CD2 TYR A 701 -4.302 1.602 2.383 1.00 0.95 C ATOM 1333 CE1 TYR A 701 -5.198 4.097 3.126 1.00 1.43 C ATOM 1334 CE2 TYR A 701 -4.041 2.687 1.576 1.00 0.98 C ATOM 1335 CZ TYR A 701 -4.492 3.937 1.952 1.00 0.65 C ATOM 1336 OH TYR A 701 -4.240 5.029 1.151 1.00 0.75 O ATOM 0 H TYR A 701 -5.915 -1.269 5.992 1.00 0.33 H new ATOM 0 HA TYR A 701 -6.650 1.459 5.806 1.00 0.36 H new ATOM 0 HB2 TYR A 701 -4.462 0.436 5.167 1.00 0.38 H new ATOM 0 HB3 TYR A 701 -5.244 -0.369 3.822 1.00 0.38 H new ATOM 0 HD1 TYR A 701 -6.007 3.131 4.845 1.00 1.37 H new ATOM 0 HD2 TYR A 701 -3.947 0.626 2.086 1.00 0.95 H new ATOM 0 HE1 TYR A 701 -5.549 5.076 3.418 1.00 1.43 H new ATOM 0 HE2 TYR A 701 -3.488 2.561 0.657 1.00 0.98 H new ATOM 0 HH TYR A 701 -3.731 4.746 0.363 1.00 0.75 H new ATOM 1346 N MET A 702 -8.110 -0.591 3.674 1.00 0.31 N ATOM 1347 CA MET A 702 -9.247 -0.748 2.767 1.00 0.36 C ATOM 1348 C MET A 702 -10.548 -0.434 3.489 1.00 0.42 C ATOM 1349 O MET A 702 -11.424 0.251 2.961 1.00 0.48 O ATOM 1350 CB MET A 702 -9.310 -2.177 2.239 1.00 0.44 C ATOM 1351 CG MET A 702 -8.079 -2.593 1.462 1.00 0.56 C ATOM 1352 SD MET A 702 -8.250 -4.230 0.753 1.00 0.87 S ATOM 1353 CE MET A 702 -6.826 -4.283 -0.324 1.00 1.08 C ATOM 0 H MET A 702 -7.586 -1.452 3.832 1.00 0.31 H new ATOM 0 HA MET A 702 -9.114 -0.056 1.936 1.00 0.36 H new ATOM 0 HB2 MET A 702 -9.447 -2.859 3.078 1.00 0.44 H new ATOM 0 HB3 MET A 702 -10.186 -2.280 1.598 1.00 0.44 H new ATOM 0 HG2 MET A 702 -7.892 -1.872 0.666 1.00 0.56 H new ATOM 0 HG3 MET A 702 -7.211 -2.573 2.121 1.00 0.56 H new ATOM 0 HE1 MET A 702 -7.121 -4.673 -1.298 1.00 1.08 H new ATOM 0 HE2 MET A 702 -6.422 -3.278 -0.443 1.00 1.08 H new ATOM 0 HE3 MET A 702 -6.065 -4.931 0.111 1.00 1.08 H new ATOM 1363 N ASP A 703 -10.649 -0.953 4.705 1.00 0.46 N ATOM 1364 CA ASP A 703 -11.805 -0.742 5.566 1.00 0.59 C ATOM 1365 C ASP A 703 -12.075 0.750 5.761 1.00 0.64 C ATOM 1366 O ASP A 703 -13.219 1.178 5.902 1.00 0.77 O ATOM 1367 CB ASP A 703 -11.565 -1.431 6.913 1.00 0.66 C ATOM 1368 CG ASP A 703 -12.719 -1.274 7.881 1.00 0.93 C ATOM 1369 OD1 ASP A 703 -13.724 -2.003 7.741 1.00 1.11 O ATOM 1370 OD2 ASP A 703 -12.611 -0.438 8.803 1.00 1.06 O ATOM 0 H ASP A 703 -9.926 -1.537 5.125 1.00 0.46 H new ATOM 0 HA ASP A 703 -12.686 -1.176 5.093 1.00 0.59 H new ATOM 0 HB2 ASP A 703 -11.384 -2.492 6.743 1.00 0.66 H new ATOM 0 HB3 ASP A 703 -10.662 -1.023 7.366 1.00 0.66 H new ATOM 1375 N LYS A 704 -11.010 1.536 5.778 1.00 0.58 N ATOM 1376 CA LYS A 704 -11.128 2.977 5.954 1.00 0.66 C ATOM 1377 C LYS A 704 -11.587 3.673 4.662 1.00 0.66 C ATOM 1378 O LYS A 704 -12.279 4.690 4.715 1.00 0.76 O ATOM 1379 CB LYS A 704 -9.786 3.553 6.414 1.00 0.69 C ATOM 1380 CG LYS A 704 -9.877 4.977 6.936 1.00 1.15 C ATOM 1381 CD LYS A 704 -8.516 5.501 7.363 1.00 1.49 C ATOM 1382 CE LYS A 704 -7.635 5.820 6.165 1.00 2.15 C ATOM 1383 NZ LYS A 704 -8.156 6.974 5.387 1.00 2.95 N ATOM 0 H LYS A 704 -10.052 1.201 5.672 1.00 0.58 H new ATOM 0 HA LYS A 704 -11.887 3.162 6.715 1.00 0.66 H new ATOM 0 HB2 LYS A 704 -9.376 2.914 7.197 1.00 0.69 H new ATOM 0 HB3 LYS A 704 -9.084 3.526 5.580 1.00 0.69 H new ATOM 0 HG2 LYS A 704 -10.291 5.624 6.162 1.00 1.15 H new ATOM 0 HG3 LYS A 704 -10.564 5.013 7.782 1.00 1.15 H new ATOM 0 HD2 LYS A 704 -8.645 6.398 7.969 1.00 1.49 H new ATOM 0 HD3 LYS A 704 -8.022 4.760 7.991 1.00 1.49 H new ATOM 0 HE2 LYS A 704 -6.623 6.039 6.506 1.00 2.15 H new ATOM 0 HE3 LYS A 704 -7.571 4.945 5.518 1.00 2.15 H new ATOM 0 HZ1 LYS A 704 -7.406 7.342 4.768 1.00 2.95 H new ATOM 0 HZ2 LYS A 704 -8.963 6.666 4.808 1.00 2.95 H new ATOM 0 HZ3 LYS A 704 -8.464 7.722 6.040 1.00 2.95 H new ATOM 1397 N ILE A 705 -11.216 3.122 3.507 1.00 0.58 N ATOM 1398 CA ILE A 705 -11.496 3.769 2.228 1.00 0.64 C ATOM 1399 C ILE A 705 -12.932 3.502 1.783 1.00 0.70 C ATOM 1400 O ILE A 705 -13.589 4.372 1.209 1.00 0.83 O ATOM 1401 CB ILE A 705 -10.531 3.291 1.118 1.00 0.60 C ATOM 1402 CG1 ILE A 705 -9.076 3.392 1.565 1.00 0.60 C ATOM 1403 CG2 ILE A 705 -10.731 4.111 -0.145 1.00 0.68 C ATOM 1404 CD1 ILE A 705 -8.632 4.802 1.889 1.00 0.66 C ATOM 0 H ILE A 705 -10.723 2.232 3.432 1.00 0.58 H new ATOM 0 HA ILE A 705 -11.352 4.838 2.382 1.00 0.64 H new ATOM 0 HB ILE A 705 -10.758 2.245 0.913 1.00 0.60 H new ATOM 0 HG12 ILE A 705 -8.932 2.765 2.445 1.00 0.60 H new ATOM 0 HG13 ILE A 705 -8.436 2.991 0.779 1.00 0.60 H new ATOM 0 HG21 ILE A 705 -10.045 3.763 -0.917 1.00 0.68 H new ATOM 0 HG22 ILE A 705 -11.757 3.998 -0.494 1.00 0.68 H new ATOM 0 HG23 ILE A 705 -10.534 5.162 0.068 1.00 0.68 H new ATOM 0 HD11 ILE A 705 -7.587 4.792 2.199 1.00 0.66 H new ATOM 0 HD12 ILE A 705 -8.743 5.430 1.005 1.00 0.66 H new ATOM 0 HD13 ILE A 705 -9.246 5.200 2.697 1.00 0.66 H new ATOM 1416 N ILE A 706 -13.414 2.296 2.069 1.00 0.67 N ATOM 1417 CA ILE A 706 -14.764 1.882 1.690 1.00 0.79 C ATOM 1418 C ILE A 706 -15.800 2.828 2.292 1.00 0.99 C ATOM 1419 O ILE A 706 -16.861 3.075 1.712 1.00 1.17 O ATOM 1420 CB ILE A 706 -15.055 0.425 2.129 1.00 0.83 C ATOM 1421 CG1 ILE A 706 -16.429 -0.024 1.631 1.00 1.18 C ATOM 1422 CG2 ILE A 706 -14.965 0.279 3.640 1.00 1.43 C ATOM 1423 CD1 ILE A 706 -16.784 -1.441 2.026 1.00 1.75 C ATOM 0 H ILE A 706 -12.884 1.581 2.567 1.00 0.67 H new ATOM 0 HA ILE A 706 -14.830 1.926 0.603 1.00 0.79 H new ATOM 0 HB ILE A 706 -14.296 -0.216 1.681 1.00 0.83 H new ATOM 0 HG12 ILE A 706 -17.187 0.654 2.022 1.00 1.18 H new ATOM 0 HG13 ILE A 706 -16.457 0.059 0.545 1.00 1.18 H new ATOM 0 HG21 ILE A 706 -15.174 -0.754 3.919 1.00 1.43 H new ATOM 0 HG22 ILE A 706 -13.963 0.549 3.973 1.00 1.43 H new ATOM 0 HG23 ILE A 706 -15.694 0.937 4.113 1.00 1.43 H new ATOM 0 HD11 ILE A 706 -17.772 -1.690 1.638 1.00 1.75 H new ATOM 0 HD12 ILE A 706 -16.047 -2.130 1.612 1.00 1.75 H new ATOM 0 HD13 ILE A 706 -16.789 -1.525 3.113 1.00 1.75 H new