USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=26 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 661 CYS SG : rot 72:sc= 0.189 USER MOD Set 1.2: A 702 MET CE :methyl 142:sc= -4.03! (180deg=-7.94!) USER MOD Set 2.1: A 651 LYS NZ :NH3+ 159:sc= 0.97 (180deg=-0.0545) USER MOD Set 2.2: A 652 GLN : amide:sc= -3.97! X(o=-3!,f=-3) USER MOD Set 3.1: A 647 ASN : amide:sc= -3.47! C(o=-4.7!,f=-6.5!) USER MOD Set 3.2: A 649 GLN : amide:sc= -1.18 K(o=-4.7,f=-8.3!) USER MOD Set 3.3: A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 SER OG : rot -94:sc= 0.685 USER MOD Single : A 626 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 630 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=0) USER MOD Single : A 631 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 633 ASN :FLIP amide:sc= -1.12 F(o=-2.9,f=-1.1) USER MOD Single : A 634 LYS NZ :NH3+ 168:sc=-0.00465 (180deg=-0.142) USER MOD Single : A 638 SER OG : rot 55:sc= 0.421 USER MOD Single : A 642 ASN :FLIP amide:sc= -0.683 F(o=-3.3!,f=-0.68) USER MOD Single : A 645 LYS NZ :NH3+ -163:sc= -0.0853 (180deg=-0.378) USER MOD Single : A 646 LYS NZ :NH3+ 171:sc=-0.00159 (180deg=-0.0671) USER MOD Single : A 650 SER OG : rot 108:sc= -0.177 USER MOD Single : A 655 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 657 ASN : amide:sc= -2.22! C(o=-2.2!,f=-5.3!) USER MOD Single : A 659 LYS NZ :NH3+ 166:sc= -0.0516 (180deg=-0.229) USER MOD Single : A 660 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.048) USER MOD Single : A 663 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.915) USER MOD Single : A 667 LYS NZ :NH3+ 164:sc= 1.13 (180deg=0.772) USER MOD Single : A 670 THR OG1 : rot 102:sc= 1.97 USER MOD Single : A 671 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ -132:sc= -0.854 (180deg=-2.6!) USER MOD Single : A 678 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 679 SER OG : rot 180:sc= 0 USER MOD Single : A 687 THR OG1 : rot 180:sc= 0 USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 690 LYS NZ :NH3+ -147:sc= 1.21 (180deg=1.12) USER MOD Single : A 692 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.5!) USER MOD Single : A 693 LYS NZ :NH3+ -163:sc= -0.0145 (180deg=-0.189) USER MOD Single : A 699 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 701 TYR OH : rot 130:sc= -0.885 USER MOD Single : A 704 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 625 17.665 6.927 0.200 1.00 0.89 N ATOM 46 CA SER A 625 16.370 6.360 0.544 1.00 0.85 C ATOM 47 C SER A 625 15.329 6.628 -0.543 1.00 0.73 C ATOM 48 O SER A 625 14.408 5.836 -0.728 1.00 0.72 O ATOM 49 CB SER A 625 15.902 6.928 1.881 1.00 1.01 C ATOM 50 OG SER A 625 16.950 6.885 2.837 1.00 1.35 O ATOM 0 HA SER A 625 16.482 5.279 0.626 1.00 0.85 H new ATOM 0 HB2 SER A 625 15.566 7.956 1.748 1.00 1.01 H new ATOM 0 HB3 SER A 625 15.047 6.358 2.245 1.00 1.01 H new ATOM 0 HG SER A 625 16.874 6.065 3.369 1.00 1.35 H new ATOM 56 N GLN A 626 15.481 7.731 -1.273 1.00 0.72 N ATOM 57 CA GLN A 626 14.553 8.047 -2.354 1.00 0.71 C ATOM 58 C GLN A 626 14.671 7.015 -3.466 1.00 0.60 C ATOM 59 O GLN A 626 13.672 6.602 -4.059 1.00 0.65 O ATOM 60 CB GLN A 626 14.804 9.445 -2.922 1.00 0.81 C ATOM 61 CG GLN A 626 13.891 9.775 -4.093 1.00 1.52 C ATOM 62 CD GLN A 626 14.147 11.144 -4.679 1.00 1.83 C ATOM 63 OE1 GLN A 626 14.969 11.304 -5.580 1.00 2.34 O ATOM 64 NE2 GLN A 626 13.435 12.139 -4.178 1.00 2.37 N ATOM 0 H GLN A 626 16.228 8.412 -1.138 1.00 0.72 H new ATOM 0 HA GLN A 626 13.545 8.025 -1.939 1.00 0.71 H new ATOM 0 HB2 GLN A 626 14.659 10.184 -2.134 1.00 0.81 H new ATOM 0 HB3 GLN A 626 15.843 9.521 -3.244 1.00 0.81 H new ATOM 0 HG2 GLN A 626 14.023 9.023 -4.871 1.00 1.52 H new ATOM 0 HG3 GLN A 626 12.853 9.716 -3.765 1.00 1.52 H new ATOM 0 HE21 GLN A 626 12.764 11.960 -3.431 1.00 2.37 H new ATOM 0 HE22 GLN A 626 13.557 13.085 -4.539 1.00 2.37 H new ATOM 73 N ARG A 627 15.900 6.592 -3.736 1.00 0.56 N ATOM 74 CA ARG A 627 16.146 5.580 -4.747 1.00 0.52 C ATOM 75 C ARG A 627 15.644 4.235 -4.246 1.00 0.40 C ATOM 76 O ARG A 627 15.198 3.391 -5.025 1.00 0.40 O ATOM 77 CB ARG A 627 17.634 5.498 -5.086 1.00 0.66 C ATOM 78 CG ARG A 627 17.928 4.546 -6.232 1.00 1.31 C ATOM 79 CD ARG A 627 17.247 5.004 -7.507 1.00 1.53 C ATOM 80 NE ARG A 627 17.224 3.966 -8.533 1.00 2.41 N ATOM 81 CZ ARG A 627 17.035 4.211 -9.829 1.00 2.91 C ATOM 82 NH1 ARG A 627 16.983 5.462 -10.271 1.00 2.66 N ATOM 83 NH2 ARG A 627 16.912 3.206 -10.683 1.00 4.02 N ATOM 0 H ARG A 627 16.739 6.936 -3.268 1.00 0.56 H new ATOM 0 HA ARG A 627 15.610 5.852 -5.656 1.00 0.52 H new ATOM 0 HB2 ARG A 627 17.998 6.493 -5.344 1.00 0.66 H new ATOM 0 HB3 ARG A 627 18.185 5.176 -4.203 1.00 0.66 H new ATOM 0 HG2 ARG A 627 19.004 4.485 -6.392 1.00 1.31 H new ATOM 0 HG3 ARG A 627 17.587 3.543 -5.973 1.00 1.31 H new ATOM 0 HD2 ARG A 627 16.225 5.309 -7.280 1.00 1.53 H new ATOM 0 HD3 ARG A 627 17.763 5.882 -7.895 1.00 1.53 H new ATOM 0 HE ARG A 627 17.360 2.998 -8.241 1.00 2.41 H new ATOM 0 HH11 ARG A 627 17.088 6.238 -9.618 1.00 2.66 H new ATOM 0 HH12 ARG A 627 16.838 5.647 -11.264 1.00 2.66 H new ATOM 0 HH21 ARG A 627 16.962 2.244 -10.349 1.00 4.02 H new ATOM 0 HH22 ARG A 627 16.767 3.394 -11.675 1.00 4.02 H new ATOM 97 N LEU A 628 15.695 4.057 -2.930 1.00 0.38 N ATOM 98 CA LEU A 628 15.217 2.832 -2.310 1.00 0.36 C ATOM 99 C LEU A 628 13.724 2.666 -2.496 1.00 0.27 C ATOM 100 O LEU A 628 13.236 1.544 -2.527 1.00 0.29 O ATOM 101 CB LEU A 628 15.541 2.781 -0.819 1.00 0.49 C ATOM 102 CG LEU A 628 16.718 1.887 -0.447 1.00 0.62 C ATOM 103 CD1 LEU A 628 16.780 1.698 1.057 1.00 1.13 C ATOM 104 CD2 LEU A 628 16.615 0.541 -1.147 1.00 1.48 C ATOM 0 H LEU A 628 16.063 4.747 -2.275 1.00 0.38 H new ATOM 0 HA LEU A 628 15.737 2.015 -2.809 1.00 0.36 H new ATOM 0 HB2 LEU A 628 15.749 3.793 -0.473 1.00 0.49 H new ATOM 0 HB3 LEU A 628 14.658 2.436 -0.282 1.00 0.49 H new ATOM 0 HG LEU A 628 17.636 2.373 -0.777 1.00 0.62 H new ATOM 0 HD11 LEU A 628 17.625 1.057 1.309 1.00 1.13 H new ATOM 0 HD12 LEU A 628 16.902 2.667 1.541 1.00 1.13 H new ATOM 0 HD13 LEU A 628 15.857 1.233 1.404 1.00 1.13 H new ATOM 0 HD21 LEU A 628 17.465 -0.081 -0.867 1.00 1.48 H new ATOM 0 HD22 LEU A 628 15.690 0.046 -0.850 1.00 1.48 H new ATOM 0 HD23 LEU A 628 16.615 0.691 -2.227 1.00 1.48 H new ATOM 116 N GLU A 629 13.002 3.772 -2.624 1.00 0.29 N ATOM 117 CA GLU A 629 11.569 3.694 -2.854 1.00 0.34 C ATOM 118 C GLU A 629 11.287 2.970 -4.158 1.00 0.30 C ATOM 119 O GLU A 629 10.395 2.156 -4.223 1.00 0.33 O ATOM 120 CB GLU A 629 10.921 5.073 -2.892 1.00 0.50 C ATOM 121 CG GLU A 629 10.786 5.743 -1.536 1.00 0.68 C ATOM 122 CD GLU A 629 9.775 6.872 -1.561 1.00 0.94 C ATOM 123 OE1 GLU A 629 10.136 7.995 -1.977 1.00 1.03 O ATOM 124 OE2 GLU A 629 8.604 6.632 -1.194 1.00 1.24 O ATOM 0 H GLU A 629 13.379 4.718 -2.573 1.00 0.29 H new ATOM 0 HA GLU A 629 11.138 3.141 -2.020 1.00 0.34 H new ATOM 0 HB2 GLU A 629 11.508 5.719 -3.545 1.00 0.50 H new ATOM 0 HB3 GLU A 629 9.931 4.983 -3.339 1.00 0.50 H new ATOM 0 HG2 GLU A 629 10.486 5.003 -0.794 1.00 0.68 H new ATOM 0 HG3 GLU A 629 11.756 6.131 -1.225 1.00 0.68 H new ATOM 131 N HIS A 630 12.076 3.256 -5.183 1.00 0.29 N ATOM 132 CA HIS A 630 11.935 2.589 -6.477 1.00 0.35 C ATOM 133 C HIS A 630 12.094 1.073 -6.314 1.00 0.27 C ATOM 134 O HIS A 630 11.300 0.294 -6.844 1.00 0.28 O ATOM 135 CB HIS A 630 12.972 3.134 -7.473 1.00 0.47 C ATOM 136 CG HIS A 630 12.777 2.661 -8.887 1.00 1.05 C ATOM 137 ND1 HIS A 630 12.245 3.452 -9.884 1.00 1.52 N ATOM 138 CD2 HIS A 630 13.057 1.471 -9.470 1.00 1.71 C ATOM 139 CE1 HIS A 630 12.204 2.768 -11.012 1.00 2.20 C ATOM 140 NE2 HIS A 630 12.690 1.566 -10.789 1.00 2.35 N ATOM 0 H HIS A 630 12.825 3.948 -5.147 1.00 0.29 H new ATOM 0 HA HIS A 630 10.938 2.792 -6.868 1.00 0.35 H new ATOM 0 HB2 HIS A 630 12.936 4.223 -7.458 1.00 0.47 H new ATOM 0 HB3 HIS A 630 13.968 2.843 -7.139 1.00 0.47 H new ATOM 0 HD2 HIS A 630 13.489 0.607 -8.986 1.00 1.71 H new ATOM 0 HE1 HIS A 630 11.834 3.133 -11.959 1.00 2.20 H new ATOM 0 HE2 HIS A 630 12.780 0.825 -11.484 1.00 2.35 H new ATOM 149 N ASN A 631 13.115 0.664 -5.569 1.00 0.23 N ATOM 150 CA ASN A 631 13.338 -0.754 -5.297 1.00 0.21 C ATOM 151 C ASN A 631 12.233 -1.307 -4.413 1.00 0.15 C ATOM 152 O ASN A 631 11.727 -2.408 -4.640 1.00 0.17 O ATOM 153 CB ASN A 631 14.691 -0.975 -4.620 1.00 0.25 C ATOM 154 CG ASN A 631 15.850 -0.807 -5.575 1.00 0.35 C ATOM 155 OD1 ASN A 631 16.401 0.284 -5.719 1.00 0.59 O ATOM 156 ND2 ASN A 631 16.220 -1.889 -6.235 1.00 0.77 N ATOM 0 H ASN A 631 13.799 1.290 -5.144 1.00 0.23 H new ATOM 0 HA ASN A 631 13.332 -1.280 -6.252 1.00 0.21 H new ATOM 0 HB2 ASN A 631 14.800 -0.272 -3.794 1.00 0.25 H new ATOM 0 HB3 ASN A 631 14.720 -1.977 -4.191 1.00 0.25 H new ATOM 0 HD21 ASN A 631 16.994 -1.842 -6.898 1.00 0.77 H new ATOM 0 HD22 ASN A 631 15.732 -2.772 -6.082 1.00 0.77 H new ATOM 163 N TRP A 632 11.872 -0.536 -3.401 1.00 0.15 N ATOM 164 CA TRP A 632 10.770 -0.881 -2.520 1.00 0.16 C ATOM 165 C TRP A 632 9.467 -1.080 -3.296 1.00 0.20 C ATOM 166 O TRP A 632 8.680 -1.979 -2.989 1.00 0.23 O ATOM 167 CB TRP A 632 10.587 0.204 -1.471 1.00 0.21 C ATOM 168 CG TRP A 632 11.197 -0.145 -0.153 1.00 0.21 C ATOM 169 CD1 TRP A 632 12.290 0.423 0.441 1.00 0.24 C ATOM 170 CD2 TRP A 632 10.730 -1.150 0.741 1.00 0.21 C ATOM 171 NE1 TRP A 632 12.519 -0.173 1.656 1.00 0.25 N ATOM 172 CE2 TRP A 632 11.576 -1.144 1.860 1.00 0.23 C ATOM 173 CE3 TRP A 632 9.672 -2.057 0.698 1.00 0.24 C ATOM 174 CZ2 TRP A 632 11.392 -2.015 2.929 1.00 0.26 C ATOM 175 CZ3 TRP A 632 9.493 -2.917 1.756 1.00 0.29 C ATOM 176 CH2 TRP A 632 10.345 -2.893 2.857 1.00 0.29 C ATOM 0 H TRP A 632 12.333 0.344 -3.168 1.00 0.15 H new ATOM 0 HA TRP A 632 11.015 -1.825 -2.033 1.00 0.16 H new ATOM 0 HB2 TRP A 632 11.030 1.131 -1.835 1.00 0.21 H new ATOM 0 HB3 TRP A 632 9.522 0.392 -1.333 1.00 0.21 H new ATOM 0 HD1 TRP A 632 12.883 1.220 0.018 1.00 0.24 H new ATOM 0 HE1 TRP A 632 13.270 0.069 2.302 1.00 0.25 H new ATOM 0 HE3 TRP A 632 9.005 -2.084 -0.151 1.00 0.24 H new ATOM 0 HZ2 TRP A 632 12.051 -1.999 3.784 1.00 0.26 H new ATOM 0 HZ3 TRP A 632 8.677 -3.624 1.733 1.00 0.29 H new ATOM 0 HH2 TRP A 632 10.176 -3.582 3.671 1.00 0.29 H new ATOM 187 N ASN A 633 9.247 -0.234 -4.298 1.00 0.22 N ATOM 188 CA ASN A 633 8.061 -0.322 -5.140 1.00 0.29 C ATOM 189 C ASN A 633 8.020 -1.665 -5.838 1.00 0.29 C ATOM 190 O ASN A 633 6.968 -2.282 -5.939 1.00 0.33 O ATOM 191 CB ASN A 633 8.020 0.788 -6.205 1.00 0.36 C ATOM 192 CG ASN A 633 7.958 2.202 -5.640 1.00 0.41 C ATOM 193 OD1 ASN A 633 7.479 2.352 -4.413 1.00 0.47 O flip ATOM 194 ND2 ASN A 633 8.364 3.155 -6.306 1.00 0.42 N flip ATOM 0 H ASN A 633 9.881 0.525 -4.547 1.00 0.22 H new ATOM 0 HA ASN A 633 7.197 -0.202 -4.486 1.00 0.29 H new ATOM 0 HB2 ASN A 633 8.904 0.701 -6.837 1.00 0.36 H new ATOM 0 HB3 ASN A 633 7.153 0.628 -6.846 1.00 0.36 H new ATOM 0 HD21 ASN A 633 8.726 3.002 -7.247 1.00 0.42 H new ATOM 0 HD22 ASN A 633 8.338 4.097 -5.916 1.00 0.42 H new ATOM 201 N LYS A 634 9.180 -2.113 -6.310 1.00 0.30 N ATOM 202 CA LYS A 634 9.288 -3.394 -6.994 1.00 0.36 C ATOM 203 C LYS A 634 8.798 -4.526 -6.091 1.00 0.32 C ATOM 204 O LYS A 634 8.006 -5.367 -6.512 1.00 0.33 O ATOM 205 CB LYS A 634 10.739 -3.651 -7.406 1.00 0.46 C ATOM 206 CG LYS A 634 10.911 -4.837 -8.341 1.00 1.21 C ATOM 207 CD LYS A 634 12.377 -5.201 -8.515 1.00 1.61 C ATOM 208 CE LYS A 634 12.946 -5.853 -7.262 1.00 2.37 C ATOM 209 NZ LYS A 634 12.393 -7.217 -7.043 1.00 3.15 N ATOM 0 H LYS A 634 10.060 -1.604 -6.230 1.00 0.30 H new ATOM 0 HA LYS A 634 8.663 -3.362 -7.887 1.00 0.36 H new ATOM 0 HB2 LYS A 634 11.133 -2.758 -7.891 1.00 0.46 H new ATOM 0 HB3 LYS A 634 11.337 -3.817 -6.510 1.00 0.46 H new ATOM 0 HG2 LYS A 634 10.366 -5.695 -7.946 1.00 1.21 H new ATOM 0 HG3 LYS A 634 10.475 -4.602 -9.312 1.00 1.21 H new ATOM 0 HD2 LYS A 634 12.486 -5.880 -9.361 1.00 1.61 H new ATOM 0 HD3 LYS A 634 12.950 -4.304 -8.751 1.00 1.61 H new ATOM 0 HE2 LYS A 634 14.031 -5.911 -7.344 1.00 2.37 H new ATOM 0 HE3 LYS A 634 12.725 -5.229 -6.396 1.00 2.37 H new ATOM 0 HZ1 LYS A 634 12.946 -7.702 -6.308 1.00 3.15 H new ATOM 0 HZ2 LYS A 634 11.401 -7.145 -6.738 1.00 3.15 H new ATOM 0 HZ3 LYS A 634 12.444 -7.759 -7.929 1.00 3.15 H new ATOM 223 N PHE A 635 9.264 -4.526 -4.844 1.00 0.30 N ATOM 224 CA PHE A 635 8.850 -5.531 -3.861 1.00 0.30 C ATOM 225 C PHE A 635 7.335 -5.513 -3.636 1.00 0.27 C ATOM 226 O PHE A 635 6.674 -6.542 -3.765 1.00 0.27 O ATOM 227 CB PHE A 635 9.593 -5.310 -2.537 1.00 0.32 C ATOM 228 CG PHE A 635 9.020 -6.065 -1.359 1.00 0.32 C ATOM 229 CD1 PHE A 635 8.888 -7.448 -1.376 1.00 0.39 C ATOM 230 CD2 PHE A 635 8.615 -5.379 -0.225 1.00 0.33 C ATOM 231 CE1 PHE A 635 8.366 -8.119 -0.288 1.00 0.42 C ATOM 232 CE2 PHE A 635 8.093 -6.050 0.864 1.00 0.35 C ATOM 233 CZ PHE A 635 7.971 -7.420 0.832 1.00 0.37 C ATOM 0 H PHE A 635 9.930 -3.841 -4.487 1.00 0.30 H new ATOM 0 HA PHE A 635 9.109 -6.513 -4.257 1.00 0.30 H new ATOM 0 HB2 PHE A 635 10.635 -5.603 -2.667 1.00 0.32 H new ATOM 0 HB3 PHE A 635 9.588 -4.245 -2.306 1.00 0.32 H new ATOM 0 HD1 PHE A 635 9.197 -8.004 -2.249 1.00 0.39 H new ATOM 0 HD2 PHE A 635 8.709 -4.304 -0.192 1.00 0.33 H new ATOM 0 HE1 PHE A 635 8.267 -9.194 -0.315 1.00 0.42 H new ATOM 0 HE2 PHE A 635 7.781 -5.500 1.739 1.00 0.35 H new ATOM 0 HZ PHE A 635 7.566 -7.947 1.683 1.00 0.37 H new ATOM 243 N PHE A 636 6.782 -4.347 -3.319 1.00 0.26 N ATOM 244 CA PHE A 636 5.361 -4.246 -3.023 1.00 0.26 C ATOM 245 C PHE A 636 4.517 -4.547 -4.263 1.00 0.24 C ATOM 246 O PHE A 636 3.449 -5.148 -4.166 1.00 0.25 O ATOM 247 CB PHE A 636 5.031 -2.867 -2.430 1.00 0.28 C ATOM 248 CG PHE A 636 5.441 -2.739 -0.982 1.00 0.28 C ATOM 249 CD1 PHE A 636 5.161 -3.768 -0.103 1.00 0.37 C ATOM 250 CD2 PHE A 636 6.098 -1.612 -0.491 1.00 0.31 C ATOM 251 CE1 PHE A 636 5.522 -3.691 1.222 1.00 0.39 C ATOM 252 CE2 PHE A 636 6.458 -1.535 0.842 1.00 0.35 C ATOM 253 CZ PHE A 636 6.170 -2.576 1.692 1.00 0.36 C ATOM 0 H PHE A 636 7.293 -3.466 -3.261 1.00 0.26 H new ATOM 0 HA PHE A 636 5.111 -4.998 -2.275 1.00 0.26 H new ATOM 0 HB2 PHE A 636 5.533 -2.096 -3.014 1.00 0.28 H new ATOM 0 HB3 PHE A 636 3.960 -2.686 -2.517 1.00 0.28 H new ATOM 0 HD1 PHE A 636 4.650 -4.648 -0.463 1.00 0.37 H new ATOM 0 HD2 PHE A 636 6.328 -0.793 -1.156 1.00 0.31 H new ATOM 0 HE1 PHE A 636 5.296 -4.507 1.892 1.00 0.39 H new ATOM 0 HE2 PHE A 636 6.965 -0.657 1.215 1.00 0.35 H new ATOM 0 HZ PHE A 636 6.454 -2.517 2.732 1.00 0.36 H new ATOM 263 N ALA A 637 5.032 -4.177 -5.429 1.00 0.26 N ATOM 264 CA ALA A 637 4.352 -4.421 -6.699 1.00 0.26 C ATOM 265 C ALA A 637 4.241 -5.912 -7.005 1.00 0.24 C ATOM 266 O ALA A 637 3.401 -6.325 -7.800 1.00 0.26 O ATOM 267 CB ALA A 637 5.072 -3.711 -7.835 1.00 0.31 C ATOM 0 H ALA A 637 5.929 -3.701 -5.523 1.00 0.26 H new ATOM 0 HA ALA A 637 3.342 -4.021 -6.608 1.00 0.26 H new ATOM 0 HB1 ALA A 637 4.551 -3.904 -8.773 1.00 0.31 H new ATOM 0 HB2 ALA A 637 5.087 -2.638 -7.642 1.00 0.31 H new ATOM 0 HB3 ALA A 637 6.095 -4.081 -7.905 1.00 0.31 H new ATOM 273 N SER A 638 5.100 -6.716 -6.397 1.00 0.23 N ATOM 274 CA SER A 638 5.084 -8.152 -6.626 1.00 0.25 C ATOM 275 C SER A 638 3.780 -8.788 -6.145 1.00 0.23 C ATOM 276 O SER A 638 3.207 -9.629 -6.838 1.00 0.28 O ATOM 277 CB SER A 638 6.274 -8.815 -5.935 1.00 0.28 C ATOM 278 OG SER A 638 7.498 -8.315 -6.445 1.00 0.96 O ATOM 0 H SER A 638 5.815 -6.399 -5.743 1.00 0.23 H new ATOM 0 HA SER A 638 5.157 -8.312 -7.702 1.00 0.25 H new ATOM 0 HB2 SER A 638 6.222 -8.635 -4.861 1.00 0.28 H new ATOM 0 HB3 SER A 638 6.229 -9.894 -6.080 1.00 0.28 H new ATOM 0 HG SER A 638 7.511 -7.338 -6.366 1.00 0.96 H new ATOM 284 N PHE A 639 3.302 -8.384 -4.971 1.00 0.21 N ATOM 285 CA PHE A 639 2.122 -9.018 -4.385 1.00 0.23 C ATOM 286 C PHE A 639 0.901 -8.109 -4.366 1.00 0.22 C ATOM 287 O PHE A 639 -0.213 -8.571 -4.602 1.00 0.25 O ATOM 288 CB PHE A 639 2.417 -9.532 -2.977 1.00 0.26 C ATOM 289 CG PHE A 639 3.133 -8.562 -2.078 1.00 0.25 C ATOM 290 CD1 PHE A 639 4.516 -8.544 -2.042 1.00 0.28 C ATOM 291 CD2 PHE A 639 2.433 -7.701 -1.240 1.00 0.24 C ATOM 292 CE1 PHE A 639 5.189 -7.689 -1.198 1.00 0.32 C ATOM 293 CE2 PHE A 639 3.105 -6.850 -0.389 1.00 0.27 C ATOM 294 CZ PHE A 639 4.484 -6.845 -0.368 1.00 0.27 C ATOM 0 H PHE A 639 3.706 -7.632 -4.413 1.00 0.21 H new ATOM 0 HA PHE A 639 1.881 -9.861 -5.033 1.00 0.23 H new ATOM 0 HB2 PHE A 639 1.475 -9.813 -2.505 1.00 0.26 H new ATOM 0 HB3 PHE A 639 3.016 -10.439 -3.057 1.00 0.26 H new ATOM 0 HD1 PHE A 639 5.075 -9.209 -2.684 1.00 0.28 H new ATOM 0 HD2 PHE A 639 1.353 -7.699 -1.256 1.00 0.24 H new ATOM 0 HE1 PHE A 639 6.269 -7.680 -1.187 1.00 0.32 H new ATOM 0 HE2 PHE A 639 2.552 -6.188 0.261 1.00 0.27 H new ATOM 0 HZ PHE A 639 5.011 -6.179 0.299 1.00 0.27 H new ATOM 304 N VAL A 640 1.115 -6.825 -4.108 1.00 0.22 N ATOM 305 CA VAL A 640 0.016 -5.880 -3.920 1.00 0.24 C ATOM 306 C VAL A 640 -1.057 -5.958 -5.032 1.00 0.21 C ATOM 307 O VAL A 640 -2.236 -6.153 -4.730 1.00 0.24 O ATOM 308 CB VAL A 640 0.552 -4.433 -3.770 1.00 0.29 C ATOM 309 CG1 VAL A 640 -0.536 -3.421 -4.086 1.00 0.34 C ATOM 310 CG2 VAL A 640 1.087 -4.210 -2.360 1.00 0.34 C ATOM 0 H VAL A 640 2.043 -6.411 -4.023 1.00 0.22 H new ATOM 0 HA VAL A 640 -0.482 -6.171 -2.995 1.00 0.24 H new ATOM 0 HB VAL A 640 1.367 -4.294 -4.481 1.00 0.29 H new ATOM 0 HG11 VAL A 640 -0.138 -2.412 -3.974 1.00 0.34 H new ATOM 0 HG12 VAL A 640 -0.880 -3.564 -5.110 1.00 0.34 H new ATOM 0 HG13 VAL A 640 -1.372 -3.559 -3.400 1.00 0.34 H new ATOM 0 HG21 VAL A 640 1.460 -3.190 -2.269 1.00 0.34 H new ATOM 0 HG22 VAL A 640 0.286 -4.369 -1.638 1.00 0.34 H new ATOM 0 HG23 VAL A 640 1.898 -4.911 -2.163 1.00 0.34 H new ATOM 320 N PRO A 641 -0.682 -5.840 -6.325 1.00 0.22 N ATOM 321 CA PRO A 641 -1.651 -5.879 -7.430 1.00 0.27 C ATOM 322 C PRO A 641 -2.480 -7.165 -7.478 1.00 0.30 C ATOM 323 O PRO A 641 -3.712 -7.109 -7.514 1.00 0.42 O ATOM 324 CB PRO A 641 -0.781 -5.766 -8.684 1.00 0.36 C ATOM 325 CG PRO A 641 0.473 -5.122 -8.216 1.00 0.56 C ATOM 326 CD PRO A 641 0.688 -5.615 -6.815 1.00 0.24 C ATOM 0 HA PRO A 641 -2.389 -5.084 -7.323 1.00 0.27 H new ATOM 0 HB2 PRO A 641 -0.584 -6.746 -9.119 1.00 0.36 H new ATOM 0 HB3 PRO A 641 -1.270 -5.168 -9.453 1.00 0.36 H new ATOM 0 HG2 PRO A 641 1.313 -5.389 -8.858 1.00 0.56 H new ATOM 0 HG3 PRO A 641 0.387 -4.036 -8.239 1.00 0.56 H new ATOM 0 HD2 PRO A 641 1.278 -6.531 -6.796 1.00 0.24 H new ATOM 0 HD3 PRO A 641 1.218 -4.882 -6.207 1.00 0.24 H new ATOM 334 N ASN A 642 -1.817 -8.319 -7.466 1.00 0.30 N ATOM 335 CA ASN A 642 -2.513 -9.591 -7.659 1.00 0.37 C ATOM 336 C ASN A 642 -3.362 -9.956 -6.448 1.00 0.33 C ATOM 337 O ASN A 642 -4.311 -10.729 -6.564 1.00 0.38 O ATOM 338 CB ASN A 642 -1.540 -10.732 -7.985 1.00 0.49 C ATOM 339 CG ASN A 642 -0.651 -11.126 -6.825 1.00 0.98 C ATOM 340 OD1 ASN A 642 0.531 -10.542 -6.773 1.00 1.70 O flip ATOM 341 ND2 ASN A 642 -1.013 -11.963 -5.997 1.00 0.95 N flip ATOM 0 H ASN A 642 -0.810 -8.401 -7.326 1.00 0.30 H new ATOM 0 HA ASN A 642 -3.175 -9.455 -8.515 1.00 0.37 H new ATOM 0 HB2 ASN A 642 -2.111 -11.603 -8.306 1.00 0.49 H new ATOM 0 HB3 ASN A 642 -0.914 -10.434 -8.826 1.00 0.49 H new ATOM 0 HD21 ASN A 642 -1.936 -12.391 -6.074 1.00 0.95 H new ATOM 0 HD22 ASN A 642 -0.390 -12.229 -5.234 1.00 0.95 H new ATOM 348 N LEU A 643 -3.021 -9.416 -5.288 1.00 0.29 N ATOM 349 CA LEU A 643 -3.814 -9.660 -4.092 1.00 0.31 C ATOM 350 C LEU A 643 -5.183 -9.003 -4.217 1.00 0.28 C ATOM 351 O LEU A 643 -6.200 -9.627 -3.957 1.00 0.33 O ATOM 352 CB LEU A 643 -3.096 -9.142 -2.840 1.00 0.33 C ATOM 353 CG LEU A 643 -1.827 -9.902 -2.445 1.00 0.57 C ATOM 354 CD1 LEU A 643 -1.195 -9.272 -1.214 1.00 1.37 C ATOM 355 CD2 LEU A 643 -2.134 -11.371 -2.193 1.00 1.24 C ATOM 0 H LEU A 643 -2.210 -8.813 -5.149 1.00 0.29 H new ATOM 0 HA LEU A 643 -3.946 -10.737 -3.992 1.00 0.31 H new ATOM 0 HB2 LEU A 643 -2.837 -8.095 -2.998 1.00 0.33 H new ATOM 0 HB3 LEU A 643 -3.793 -9.175 -2.003 1.00 0.33 H new ATOM 0 HG LEU A 643 -1.119 -9.839 -3.271 1.00 0.57 H new ATOM 0 HD11 LEU A 643 -0.294 -9.823 -0.945 1.00 1.37 H new ATOM 0 HD12 LEU A 643 -0.936 -8.235 -1.428 1.00 1.37 H new ATOM 0 HD13 LEU A 643 -1.902 -9.305 -0.385 1.00 1.37 H new ATOM 0 HD21 LEU A 643 -1.218 -11.891 -1.914 1.00 1.24 H new ATOM 0 HD22 LEU A 643 -2.861 -11.457 -1.385 1.00 1.24 H new ATOM 0 HD23 LEU A 643 -2.543 -11.818 -3.099 1.00 1.24 H new ATOM 367 N ILE A 644 -5.197 -7.743 -4.613 1.00 0.26 N ATOM 368 CA ILE A 644 -6.424 -6.967 -4.675 1.00 0.29 C ATOM 369 C ILE A 644 -7.232 -7.248 -5.924 1.00 0.36 C ATOM 370 O ILE A 644 -8.429 -7.421 -5.827 1.00 0.47 O ATOM 371 CB ILE A 644 -6.144 -5.465 -4.625 1.00 0.33 C ATOM 372 CG1 ILE A 644 -5.196 -5.175 -3.485 1.00 0.51 C ATOM 373 CG2 ILE A 644 -7.436 -4.675 -4.459 1.00 0.41 C ATOM 374 CD1 ILE A 644 -4.767 -3.725 -3.400 1.00 0.67 C ATOM 0 H ILE A 644 -4.363 -7.230 -4.899 1.00 0.26 H new ATOM 0 HA ILE A 644 -6.999 -7.273 -3.801 1.00 0.29 H new ATOM 0 HB ILE A 644 -5.687 -5.157 -5.565 1.00 0.33 H new ATOM 0 HG12 ILE A 644 -5.673 -5.458 -2.547 1.00 0.51 H new ATOM 0 HG13 ILE A 644 -4.310 -5.800 -3.594 1.00 0.51 H new ATOM 0 HG21 ILE A 644 -7.209 -3.609 -4.426 1.00 0.41 H new ATOM 0 HG22 ILE A 644 -8.098 -4.879 -5.300 1.00 0.41 H new ATOM 0 HG23 ILE A 644 -7.926 -4.970 -3.531 1.00 0.41 H new ATOM 0 HD11 ILE A 644 -4.088 -3.595 -2.558 1.00 0.67 H new ATOM 0 HD12 ILE A 644 -4.260 -3.441 -4.322 1.00 0.67 H new ATOM 0 HD13 ILE A 644 -5.644 -3.094 -3.259 1.00 0.67 H new ATOM 386 N LYS A 645 -6.558 -7.325 -7.079 1.00 0.42 N ATOM 387 CA LYS A 645 -7.224 -7.287 -8.393 1.00 0.60 C ATOM 388 C LYS A 645 -8.477 -8.161 -8.460 1.00 0.68 C ATOM 389 O LYS A 645 -9.466 -7.795 -9.101 1.00 0.81 O ATOM 390 CB LYS A 645 -6.240 -7.698 -9.492 1.00 0.73 C ATOM 391 CG LYS A 645 -6.853 -7.708 -10.884 1.00 1.14 C ATOM 392 CD LYS A 645 -5.798 -7.867 -11.966 1.00 1.61 C ATOM 393 CE LYS A 645 -4.886 -6.654 -12.043 1.00 2.44 C ATOM 394 NZ LYS A 645 -5.638 -5.408 -12.337 1.00 3.24 N ATOM 0 H LYS A 645 -5.543 -7.415 -7.132 1.00 0.42 H new ATOM 0 HA LYS A 645 -7.551 -6.259 -8.548 1.00 0.60 H new ATOM 0 HB2 LYS A 645 -5.391 -7.014 -9.483 1.00 0.73 H new ATOM 0 HB3 LYS A 645 -5.852 -8.691 -9.268 1.00 0.73 H new ATOM 0 HG2 LYS A 645 -7.574 -8.522 -10.957 1.00 1.14 H new ATOM 0 HG3 LYS A 645 -7.402 -6.780 -11.046 1.00 1.14 H new ATOM 0 HD2 LYS A 645 -5.203 -8.758 -11.766 1.00 1.61 H new ATOM 0 HD3 LYS A 645 -6.285 -8.018 -12.930 1.00 1.61 H new ATOM 0 HE2 LYS A 645 -4.353 -6.541 -11.099 1.00 2.44 H new ATOM 0 HE3 LYS A 645 -4.135 -6.814 -12.816 1.00 2.44 H new ATOM 0 HZ1 LYS A 645 -4.978 -4.673 -12.663 1.00 3.24 H new ATOM 0 HZ2 LYS A 645 -6.342 -5.595 -13.079 1.00 3.24 H new ATOM 0 HZ3 LYS A 645 -6.121 -5.083 -11.475 1.00 3.24 H new ATOM 408 N LYS A 646 -8.458 -9.290 -7.784 1.00 0.65 N ATOM 409 CA LYS A 646 -9.628 -10.154 -7.758 1.00 0.80 C ATOM 410 C LYS A 646 -9.643 -10.964 -6.476 1.00 0.82 C ATOM 411 O LYS A 646 -9.348 -12.158 -6.479 1.00 0.97 O ATOM 412 CB LYS A 646 -9.662 -11.073 -8.988 1.00 0.99 C ATOM 413 CG LYS A 646 -11.069 -11.492 -9.408 1.00 1.22 C ATOM 414 CD LYS A 646 -11.684 -12.512 -8.458 1.00 1.85 C ATOM 415 CE LYS A 646 -13.160 -12.742 -8.755 1.00 2.19 C ATOM 416 NZ LYS A 646 -13.396 -13.151 -10.165 1.00 2.88 N ATOM 0 H LYS A 646 -7.659 -9.631 -7.250 1.00 0.65 H new ATOM 0 HA LYS A 646 -10.522 -9.531 -7.789 1.00 0.80 H new ATOM 0 HB2 LYS A 646 -9.180 -10.564 -9.823 1.00 0.99 H new ATOM 0 HB3 LYS A 646 -9.075 -11.967 -8.778 1.00 0.99 H new ATOM 0 HG2 LYS A 646 -11.709 -10.611 -9.453 1.00 1.22 H new ATOM 0 HG3 LYS A 646 -11.034 -11.912 -10.413 1.00 1.22 H new ATOM 0 HD2 LYS A 646 -11.145 -13.456 -8.540 1.00 1.85 H new ATOM 0 HD3 LYS A 646 -11.569 -12.167 -7.430 1.00 1.85 H new ATOM 0 HE2 LYS A 646 -13.547 -13.511 -8.087 1.00 2.19 H new ATOM 0 HE3 LYS A 646 -13.717 -11.828 -8.546 1.00 2.19 H new ATOM 0 HZ1 LYS A 646 -14.388 -13.442 -10.281 1.00 2.88 H new ATOM 0 HZ2 LYS A 646 -13.194 -12.350 -10.797 1.00 2.88 H new ATOM 0 HZ3 LYS A 646 -12.771 -13.947 -10.405 1.00 2.88 H new ATOM 430 N ASN A 647 -9.968 -10.308 -5.373 1.00 0.74 N ATOM 431 CA ASN A 647 -10.037 -10.999 -4.097 1.00 0.85 C ATOM 432 C ASN A 647 -11.258 -10.535 -3.318 1.00 0.79 C ATOM 433 O ASN A 647 -11.974 -9.648 -3.790 1.00 0.68 O ATOM 434 CB ASN A 647 -8.754 -10.757 -3.302 1.00 0.92 C ATOM 435 CG ASN A 647 -8.024 -12.041 -2.952 1.00 1.47 C ATOM 436 OD1 ASN A 647 -8.113 -13.041 -3.663 1.00 2.38 O ATOM 437 ND2 ASN A 647 -7.291 -12.019 -1.849 1.00 1.39 N ATOM 0 H ASN A 647 -10.185 -9.312 -5.335 1.00 0.74 H new ATOM 0 HA ASN A 647 -10.133 -12.070 -4.273 1.00 0.85 H new ATOM 0 HB2 ASN A 647 -8.090 -10.114 -3.880 1.00 0.92 H new ATOM 0 HB3 ASN A 647 -8.997 -10.222 -2.384 1.00 0.92 H new ATOM 0 HD21 ASN A 647 -6.775 -12.851 -1.563 1.00 1.39 H new ATOM 0 HD22 ASN A 647 -7.243 -11.170 -1.286 1.00 1.39 H new ATOM 444 N PRO A 648 -11.551 -11.127 -2.140 1.00 0.89 N ATOM 445 CA PRO A 648 -12.614 -10.643 -1.260 1.00 0.90 C ATOM 446 C PRO A 648 -12.546 -9.131 -1.059 1.00 0.81 C ATOM 447 O PRO A 648 -13.548 -8.490 -0.748 1.00 0.82 O ATOM 448 CB PRO A 648 -12.357 -11.366 0.073 1.00 1.08 C ATOM 449 CG PRO A 648 -11.087 -12.133 -0.112 1.00 1.30 C ATOM 450 CD PRO A 648 -10.930 -12.334 -1.590 1.00 1.04 C ATOM 0 HA PRO A 648 -13.601 -10.842 -1.677 1.00 0.90 H new ATOM 0 HB2 PRO A 648 -12.266 -10.653 0.892 1.00 1.08 H new ATOM 0 HB3 PRO A 648 -13.183 -12.033 0.321 1.00 1.08 H new ATOM 0 HG2 PRO A 648 -10.239 -11.586 0.299 1.00 1.30 H new ATOM 0 HG3 PRO A 648 -11.131 -13.090 0.408 1.00 1.30 H new ATOM 0 HD2 PRO A 648 -9.883 -12.420 -1.879 1.00 1.04 H new ATOM 0 HD3 PRO A 648 -11.430 -13.240 -1.932 1.00 1.04 H new ATOM 458 N GLN A 649 -11.359 -8.564 -1.264 1.00 0.80 N ATOM 459 CA GLN A 649 -11.176 -7.134 -1.200 1.00 0.82 C ATOM 460 C GLN A 649 -11.816 -6.443 -2.403 1.00 0.68 C ATOM 461 O GLN A 649 -12.672 -5.584 -2.236 1.00 0.71 O ATOM 462 CB GLN A 649 -9.687 -6.792 -1.132 1.00 1.02 C ATOM 463 CG GLN A 649 -8.756 -7.941 -1.493 1.00 0.92 C ATOM 464 CD GLN A 649 -8.337 -8.783 -0.292 1.00 1.44 C ATOM 465 OE1 GLN A 649 -7.264 -9.389 -0.289 1.00 2.04 O ATOM 466 NE2 GLN A 649 -9.169 -8.817 0.737 1.00 1.83 N ATOM 0 H GLN A 649 -10.509 -9.087 -1.477 1.00 0.80 H new ATOM 0 HA GLN A 649 -11.667 -6.772 -0.297 1.00 0.82 H new ATOM 0 HB2 GLN A 649 -9.489 -5.956 -1.803 1.00 1.02 H new ATOM 0 HB3 GLN A 649 -9.451 -6.454 -0.123 1.00 1.02 H new ATOM 0 HG2 GLN A 649 -9.250 -8.583 -2.223 1.00 0.92 H new ATOM 0 HG3 GLN A 649 -7.864 -7.539 -1.974 1.00 0.92 H new ATOM 0 HE21 GLN A 649 -10.049 -8.302 0.699 1.00 1.83 H new ATOM 0 HE22 GLN A 649 -8.930 -9.358 1.568 1.00 1.83 H new ATOM 475 N SER A 650 -11.429 -6.852 -3.611 1.00 0.63 N ATOM 476 CA SER A 650 -11.822 -6.144 -4.829 1.00 0.61 C ATOM 477 C SER A 650 -13.310 -6.248 -5.113 1.00 0.63 C ATOM 478 O SER A 650 -13.893 -5.341 -5.704 1.00 0.67 O ATOM 479 CB SER A 650 -11.052 -6.666 -6.026 1.00 0.70 C ATOM 480 OG SER A 650 -11.344 -8.027 -6.279 1.00 1.56 O ATOM 0 H SER A 650 -10.843 -7.671 -3.772 1.00 0.63 H new ATOM 0 HA SER A 650 -11.584 -5.094 -4.661 1.00 0.61 H new ATOM 0 HB2 SER A 650 -11.298 -6.071 -6.905 1.00 0.70 H new ATOM 0 HB3 SER A 650 -9.983 -6.549 -5.851 1.00 0.70 H new ATOM 0 HG SER A 650 -11.893 -8.099 -7.088 1.00 1.56 H new ATOM 486 N LYS A 651 -13.926 -7.348 -4.711 1.00 0.66 N ATOM 487 CA LYS A 651 -15.355 -7.519 -4.937 1.00 0.74 C ATOM 488 C LYS A 651 -16.140 -6.503 -4.113 1.00 0.72 C ATOM 489 O LYS A 651 -17.327 -6.281 -4.338 1.00 0.78 O ATOM 490 CB LYS A 651 -15.795 -8.956 -4.622 1.00 0.87 C ATOM 491 CG LYS A 651 -15.700 -9.353 -3.157 1.00 1.53 C ATOM 492 CD LYS A 651 -15.930 -10.849 -2.986 1.00 1.63 C ATOM 493 CE LYS A 651 -16.030 -11.258 -1.524 1.00 2.38 C ATOM 494 NZ LYS A 651 -17.287 -10.783 -0.893 1.00 3.08 N ATOM 0 H LYS A 651 -13.469 -8.125 -4.234 1.00 0.66 H new ATOM 0 HA LYS A 651 -15.566 -7.340 -5.991 1.00 0.74 H new ATOM 0 HB2 LYS A 651 -16.826 -9.084 -4.951 1.00 0.87 H new ATOM 0 HB3 LYS A 651 -15.185 -9.643 -5.209 1.00 0.87 H new ATOM 0 HG2 LYS A 651 -14.719 -9.084 -2.766 1.00 1.53 H new ATOM 0 HG3 LYS A 651 -16.437 -8.798 -2.577 1.00 1.53 H new ATOM 0 HD2 LYS A 651 -16.846 -11.134 -3.504 1.00 1.63 H new ATOM 0 HD3 LYS A 651 -15.114 -11.395 -3.458 1.00 1.63 H new ATOM 0 HE2 LYS A 651 -15.975 -12.344 -1.448 1.00 2.38 H new ATOM 0 HE3 LYS A 651 -15.177 -10.857 -0.977 1.00 2.38 H new ATOM 0 HZ1 LYS A 651 -17.489 -11.355 -0.049 1.00 3.08 H new ATOM 0 HZ2 LYS A 651 -17.182 -9.786 -0.618 1.00 3.08 H new ATOM 0 HZ3 LYS A 651 -18.071 -10.875 -1.570 1.00 3.08 H new ATOM 508 N GLN A 652 -15.459 -5.882 -3.153 1.00 0.69 N ATOM 509 CA GLN A 652 -16.051 -4.832 -2.344 1.00 0.76 C ATOM 510 C GLN A 652 -15.391 -3.512 -2.698 1.00 0.71 C ATOM 511 O GLN A 652 -15.891 -2.435 -2.382 1.00 0.87 O ATOM 512 CB GLN A 652 -15.853 -5.142 -0.861 1.00 0.84 C ATOM 513 CG GLN A 652 -15.966 -6.624 -0.543 1.00 1.34 C ATOM 514 CD GLN A 652 -17.385 -7.170 -0.592 1.00 1.94 C ATOM 515 OE1 GLN A 652 -17.697 -8.145 0.087 1.00 2.22 O ATOM 516 NE2 GLN A 652 -18.249 -6.566 -1.395 1.00 2.75 N ATOM 0 H GLN A 652 -14.489 -6.094 -2.919 1.00 0.69 H new ATOM 0 HA GLN A 652 -17.121 -4.770 -2.542 1.00 0.76 H new ATOM 0 HB2 GLN A 652 -14.873 -4.783 -0.548 1.00 0.84 H new ATOM 0 HB3 GLN A 652 -16.594 -4.594 -0.279 1.00 0.84 H new ATOM 0 HG2 GLN A 652 -15.350 -7.183 -1.248 1.00 1.34 H new ATOM 0 HG3 GLN A 652 -15.555 -6.803 0.451 1.00 1.34 H new ATOM 0 HE21 GLN A 652 -17.956 -5.758 -1.945 1.00 2.75 H new ATOM 0 HE22 GLN A 652 -19.207 -6.909 -1.463 1.00 2.75 H new ATOM 525 N PHE A 653 -14.246 -3.625 -3.357 1.00 0.56 N ATOM 526 CA PHE A 653 -13.412 -2.484 -3.671 1.00 0.51 C ATOM 527 C PHE A 653 -13.861 -1.817 -4.962 1.00 0.61 C ATOM 528 O PHE A 653 -13.842 -2.428 -6.031 1.00 0.87 O ATOM 529 CB PHE A 653 -11.979 -2.970 -3.807 1.00 0.44 C ATOM 530 CG PHE A 653 -10.970 -2.225 -2.992 1.00 0.43 C ATOM 531 CD1 PHE A 653 -11.314 -1.111 -2.243 1.00 0.58 C ATOM 532 CD2 PHE A 653 -9.655 -2.640 -3.000 1.00 0.52 C ATOM 533 CE1 PHE A 653 -10.356 -0.429 -1.524 1.00 0.66 C ATOM 534 CE2 PHE A 653 -8.698 -1.967 -2.283 1.00 0.58 C ATOM 535 CZ PHE A 653 -9.048 -0.861 -1.548 1.00 0.58 C ATOM 0 H PHE A 653 -13.873 -4.515 -3.688 1.00 0.56 H new ATOM 0 HA PHE A 653 -13.491 -1.745 -2.874 1.00 0.51 H new ATOM 0 HB2 PHE A 653 -11.942 -4.023 -3.527 1.00 0.44 H new ATOM 0 HB3 PHE A 653 -11.690 -2.909 -4.856 1.00 0.44 H new ATOM 0 HD1 PHE A 653 -12.340 -0.775 -2.222 1.00 0.58 H new ATOM 0 HD2 PHE A 653 -9.374 -3.507 -3.579 1.00 0.52 H new ATOM 0 HE1 PHE A 653 -10.630 0.440 -0.944 1.00 0.66 H new ATOM 0 HE2 PHE A 653 -7.673 -2.306 -2.297 1.00 0.58 H new ATOM 0 HZ PHE A 653 -8.295 -0.328 -0.987 1.00 0.58 H new ATOM 545 N ASP A 654 -14.267 -0.564 -4.857 1.00 0.53 N ATOM 546 CA ASP A 654 -14.637 0.211 -6.027 1.00 0.58 C ATOM 547 C ASP A 654 -13.389 0.509 -6.866 1.00 0.58 C ATOM 548 O ASP A 654 -12.266 0.326 -6.398 1.00 0.63 O ATOM 549 CB ASP A 654 -15.357 1.499 -5.604 1.00 0.65 C ATOM 550 CG ASP A 654 -15.819 2.348 -6.773 1.00 1.07 C ATOM 551 OD1 ASP A 654 -16.105 1.790 -7.854 1.00 1.47 O ATOM 552 OD2 ASP A 654 -15.868 3.584 -6.622 1.00 1.77 O ATOM 0 H ASP A 654 -14.349 -0.062 -3.973 1.00 0.53 H new ATOM 0 HA ASP A 654 -15.328 -0.364 -6.643 1.00 0.58 H new ATOM 0 HB2 ASP A 654 -16.220 1.238 -4.991 1.00 0.65 H new ATOM 0 HB3 ASP A 654 -14.689 2.090 -4.978 1.00 0.65 H new ATOM 557 N HIS A 655 -13.579 0.972 -8.082 1.00 0.63 N ATOM 558 CA HIS A 655 -12.484 1.041 -9.051 1.00 0.67 C ATOM 559 C HIS A 655 -11.403 2.025 -8.627 1.00 0.63 C ATOM 560 O HIS A 655 -10.217 1.681 -8.601 1.00 0.65 O ATOM 561 CB HIS A 655 -13.003 1.408 -10.440 1.00 0.83 C ATOM 562 CG HIS A 655 -13.538 0.238 -11.209 1.00 1.61 C ATOM 563 ND1 HIS A 655 -12.879 -0.315 -12.286 1.00 2.50 N ATOM 564 CD2 HIS A 655 -14.671 -0.483 -11.054 1.00 2.36 C ATOM 565 CE1 HIS A 655 -13.583 -1.325 -12.758 1.00 3.36 C ATOM 566 NE2 HIS A 655 -14.673 -1.449 -12.028 1.00 3.28 N ATOM 0 H HIS A 655 -14.476 1.308 -8.432 1.00 0.63 H new ATOM 0 HA HIS A 655 -12.037 0.047 -9.088 1.00 0.67 H new ATOM 0 HB2 HIS A 655 -13.789 2.156 -10.339 1.00 0.83 H new ATOM 0 HB3 HIS A 655 -12.196 1.869 -11.010 1.00 0.83 H new ATOM 0 HD2 HIS A 655 -15.432 -0.328 -10.304 1.00 2.36 H new ATOM 0 HE1 HIS A 655 -13.312 -1.945 -13.600 1.00 3.36 H new ATOM 0 HE2 HIS A 655 -15.401 -2.150 -12.165 1.00 3.28 H new ATOM 575 N GLU A 656 -11.810 3.234 -8.267 1.00 0.64 N ATOM 576 CA GLU A 656 -10.861 4.246 -7.830 1.00 0.64 C ATOM 577 C GLU A 656 -10.220 3.825 -6.514 1.00 0.50 C ATOM 578 O GLU A 656 -9.065 4.152 -6.239 1.00 0.54 O ATOM 579 CB GLU A 656 -11.518 5.623 -7.711 1.00 0.75 C ATOM 580 CG GLU A 656 -12.499 5.755 -6.566 1.00 0.82 C ATOM 581 CD GLU A 656 -13.098 7.139 -6.496 1.00 1.30 C ATOM 582 OE1 GLU A 656 -12.331 8.123 -6.515 1.00 2.14 O ATOM 583 OE2 GLU A 656 -14.340 7.246 -6.412 1.00 1.32 O ATOM 0 H GLU A 656 -12.784 3.536 -8.269 1.00 0.64 H new ATOM 0 HA GLU A 656 -10.081 4.331 -8.587 1.00 0.64 H new ATOM 0 HB2 GLU A 656 -10.738 6.375 -7.592 1.00 0.75 H new ATOM 0 HB3 GLU A 656 -12.036 5.846 -8.644 1.00 0.75 H new ATOM 0 HG2 GLU A 656 -13.295 5.020 -6.683 1.00 0.82 H new ATOM 0 HG3 GLU A 656 -11.994 5.530 -5.627 1.00 0.82 H new ATOM 590 N ASN A 657 -10.983 3.099 -5.707 1.00 0.44 N ATOM 591 CA ASN A 657 -10.492 2.582 -4.438 1.00 0.41 C ATOM 592 C ASN A 657 -9.296 1.688 -4.685 1.00 0.32 C ATOM 593 O ASN A 657 -8.261 1.799 -4.030 1.00 0.33 O ATOM 594 CB ASN A 657 -11.555 1.723 -3.760 1.00 0.57 C ATOM 595 CG ASN A 657 -12.837 2.435 -3.401 1.00 0.89 C ATOM 596 OD1 ASN A 657 -13.225 3.434 -4.009 1.00 1.88 O ATOM 597 ND2 ASN A 657 -13.523 1.892 -2.412 1.00 0.72 N ATOM 0 H ASN A 657 -11.952 2.854 -5.912 1.00 0.44 H new ATOM 0 HA ASN A 657 -10.232 3.433 -3.809 1.00 0.41 H new ATOM 0 HB2 ASN A 657 -11.796 0.888 -4.418 1.00 0.57 H new ATOM 0 HB3 ASN A 657 -11.129 1.299 -2.851 1.00 0.57 H new ATOM 0 HD21 ASN A 657 -14.412 2.300 -2.124 1.00 0.72 H new ATOM 0 HD22 ASN A 657 -13.164 1.064 -1.936 1.00 0.72 H new ATOM 604 N ILE A 658 -9.461 0.808 -5.659 1.00 0.32 N ATOM 605 CA ILE A 658 -8.455 -0.188 -5.981 1.00 0.32 C ATOM 606 C ILE A 658 -7.194 0.452 -6.561 1.00 0.31 C ATOM 607 O ILE A 658 -6.081 0.114 -6.149 1.00 0.34 O ATOM 608 CB ILE A 658 -9.027 -1.261 -6.945 1.00 0.39 C ATOM 609 CG1 ILE A 658 -9.742 -2.361 -6.150 1.00 0.37 C ATOM 610 CG2 ILE A 658 -7.935 -1.864 -7.824 1.00 0.46 C ATOM 611 CD1 ILE A 658 -10.177 -3.532 -6.993 1.00 0.43 C ATOM 0 H ILE A 658 -10.294 0.765 -6.246 1.00 0.32 H new ATOM 0 HA ILE A 658 -8.173 -0.681 -5.051 1.00 0.32 H new ATOM 0 HB ILE A 658 -9.747 -0.771 -7.601 1.00 0.39 H new ATOM 0 HG12 ILE A 658 -9.078 -2.718 -5.363 1.00 0.37 H new ATOM 0 HG13 ILE A 658 -10.616 -1.933 -5.660 1.00 0.37 H new ATOM 0 HG21 ILE A 658 -8.372 -2.611 -8.486 1.00 0.46 H new ATOM 0 HG22 ILE A 658 -7.472 -1.078 -8.420 1.00 0.46 H new ATOM 0 HG23 ILE A 658 -7.180 -2.334 -7.195 1.00 0.46 H new ATOM 0 HD11 ILE A 658 -10.675 -4.269 -6.363 1.00 0.43 H new ATOM 0 HD12 ILE A 658 -10.867 -3.189 -7.764 1.00 0.43 H new ATOM 0 HD13 ILE A 658 -9.305 -3.986 -7.463 1.00 0.43 H new ATOM 623 N LYS A 659 -7.361 1.390 -7.494 1.00 0.32 N ATOM 624 CA LYS A 659 -6.209 2.048 -8.109 1.00 0.37 C ATOM 625 C LYS A 659 -5.411 2.821 -7.060 1.00 0.34 C ATOM 626 O LYS A 659 -4.178 2.802 -7.064 1.00 0.37 O ATOM 627 CB LYS A 659 -6.635 2.989 -9.248 1.00 0.48 C ATOM 628 CG LYS A 659 -7.460 4.182 -8.795 1.00 1.37 C ATOM 629 CD LYS A 659 -7.629 5.215 -9.897 1.00 1.85 C ATOM 630 CE LYS A 659 -8.467 6.396 -9.427 1.00 2.61 C ATOM 631 NZ LYS A 659 -7.866 7.081 -8.249 1.00 3.38 N ATOM 0 H LYS A 659 -8.268 1.707 -7.836 1.00 0.32 H new ATOM 0 HA LYS A 659 -5.577 1.270 -8.536 1.00 0.37 H new ATOM 0 HB2 LYS A 659 -5.742 3.351 -9.758 1.00 0.48 H new ATOM 0 HB3 LYS A 659 -7.210 2.420 -9.978 1.00 0.48 H new ATOM 0 HG2 LYS A 659 -8.441 3.839 -8.467 1.00 1.37 H new ATOM 0 HG3 LYS A 659 -6.980 4.647 -7.934 1.00 1.37 H new ATOM 0 HD2 LYS A 659 -6.650 5.568 -10.221 1.00 1.85 H new ATOM 0 HD3 LYS A 659 -8.103 4.752 -10.762 1.00 1.85 H new ATOM 0 HE2 LYS A 659 -8.575 7.110 -10.244 1.00 2.61 H new ATOM 0 HE3 LYS A 659 -9.468 6.050 -9.171 1.00 2.61 H new ATOM 0 HZ1 LYS A 659 -8.328 8.002 -8.110 1.00 3.38 H new ATOM 0 HZ2 LYS A 659 -8.001 6.495 -7.401 1.00 3.38 H new ATOM 0 HZ3 LYS A 659 -6.849 7.225 -8.413 1.00 3.38 H new ATOM 645 N GLN A 660 -6.125 3.477 -6.151 1.00 0.34 N ATOM 646 CA GLN A 660 -5.491 4.258 -5.101 1.00 0.38 C ATOM 647 C GLN A 660 -4.804 3.340 -4.102 1.00 0.31 C ATOM 648 O GLN A 660 -3.661 3.577 -3.719 1.00 0.31 O ATOM 649 CB GLN A 660 -6.518 5.138 -4.383 1.00 0.50 C ATOM 650 CG GLN A 660 -5.906 6.011 -3.298 1.00 1.28 C ATOM 651 CD GLN A 660 -6.924 6.879 -2.587 1.00 1.78 C ATOM 652 OE1 GLN A 660 -7.187 8.010 -2.993 1.00 1.90 O ATOM 653 NE2 GLN A 660 -7.497 6.356 -1.516 1.00 2.71 N ATOM 0 H GLN A 660 -7.145 3.482 -6.123 1.00 0.34 H new ATOM 0 HA GLN A 660 -4.744 4.904 -5.562 1.00 0.38 H new ATOM 0 HB2 GLN A 660 -7.016 5.775 -5.114 1.00 0.50 H new ATOM 0 HB3 GLN A 660 -7.284 4.502 -3.939 1.00 0.50 H new ATOM 0 HG2 GLN A 660 -5.407 5.375 -2.567 1.00 1.28 H new ATOM 0 HG3 GLN A 660 -5.141 6.648 -3.742 1.00 1.28 H new ATOM 0 HE21 GLN A 660 -7.249 5.414 -1.214 1.00 2.71 H new ATOM 0 HE22 GLN A 660 -8.187 6.895 -0.992 1.00 2.71 H new ATOM 662 N CYS A 661 -5.499 2.283 -3.701 1.00 0.27 N ATOM 663 CA CYS A 661 -4.962 1.350 -2.728 1.00 0.26 C ATOM 664 C CYS A 661 -3.653 0.756 -3.216 1.00 0.23 C ATOM 665 O CYS A 661 -2.645 0.841 -2.525 1.00 0.25 O ATOM 666 CB CYS A 661 -5.959 0.234 -2.433 1.00 0.28 C ATOM 667 SG CYS A 661 -5.381 -0.964 -1.208 1.00 0.30 S ATOM 0 H CYS A 661 -6.435 2.054 -4.036 1.00 0.27 H new ATOM 0 HA CYS A 661 -4.776 1.903 -1.807 1.00 0.26 H new ATOM 0 HB2 CYS A 661 -6.891 0.677 -2.081 1.00 0.28 H new ATOM 0 HB3 CYS A 661 -6.186 -0.291 -3.361 1.00 0.28 H new ATOM 0 HG CYS A 661 -5.388 -0.417 -0.029 1.00 0.30 H new ATOM 673 N ALA A 662 -3.675 0.182 -4.414 1.00 0.23 N ATOM 674 CA ALA A 662 -2.499 -0.469 -4.978 1.00 0.25 C ATOM 675 C ALA A 662 -1.286 0.461 -5.027 1.00 0.24 C ATOM 676 O ALA A 662 -0.230 0.136 -4.486 1.00 0.24 O ATOM 677 CB ALA A 662 -2.813 -1.000 -6.369 1.00 0.32 C ATOM 0 H ALA A 662 -4.498 0.155 -5.015 1.00 0.23 H new ATOM 0 HA ALA A 662 -2.240 -1.299 -4.320 1.00 0.25 H new ATOM 0 HB1 ALA A 662 -1.928 -1.485 -6.782 1.00 0.32 H new ATOM 0 HB2 ALA A 662 -3.627 -1.722 -6.308 1.00 0.32 H new ATOM 0 HB3 ALA A 662 -3.109 -0.174 -7.016 1.00 0.32 H new ATOM 683 N LYS A 663 -1.438 1.631 -5.641 1.00 0.27 N ATOM 684 CA LYS A 663 -0.292 2.515 -5.838 1.00 0.30 C ATOM 685 C LYS A 663 0.175 3.125 -4.516 1.00 0.26 C ATOM 686 O LYS A 663 1.379 3.292 -4.291 1.00 0.29 O ATOM 687 CB LYS A 663 -0.600 3.618 -6.862 1.00 0.40 C ATOM 688 CG LYS A 663 -1.567 4.689 -6.378 1.00 1.19 C ATOM 689 CD LYS A 663 -1.739 5.780 -7.424 1.00 1.51 C ATOM 690 CE LYS A 663 -2.587 6.935 -6.914 1.00 2.61 C ATOM 691 NZ LYS A 663 -1.955 7.629 -5.759 1.00 3.57 N ATOM 0 H LYS A 663 -2.323 1.984 -6.004 1.00 0.27 H new ATOM 0 HA LYS A 663 0.519 1.904 -6.235 1.00 0.30 H new ATOM 0 HB2 LYS A 663 0.335 4.097 -7.151 1.00 0.40 H new ATOM 0 HB3 LYS A 663 -1.012 3.156 -7.759 1.00 0.40 H new ATOM 0 HG2 LYS A 663 -2.534 4.238 -6.156 1.00 1.19 H new ATOM 0 HG3 LYS A 663 -1.198 5.125 -5.450 1.00 1.19 H new ATOM 0 HD2 LYS A 663 -0.759 6.154 -7.721 1.00 1.51 H new ATOM 0 HD3 LYS A 663 -2.202 5.357 -8.315 1.00 1.51 H new ATOM 0 HE2 LYS A 663 -2.748 7.650 -7.721 1.00 2.61 H new ATOM 0 HE3 LYS A 663 -3.567 6.561 -6.619 1.00 2.61 H new ATOM 0 HZ1 LYS A 663 -2.223 8.634 -5.769 1.00 3.57 H new ATOM 0 HZ2 LYS A 663 -2.279 7.193 -4.872 1.00 3.57 H new ATOM 0 HZ3 LYS A 663 -0.921 7.546 -5.828 1.00 3.57 H new ATOM 705 N ASP A 664 -0.768 3.438 -3.635 1.00 0.25 N ATOM 706 CA ASP A 664 -0.433 4.094 -2.382 1.00 0.29 C ATOM 707 C ASP A 664 0.093 3.116 -1.348 1.00 0.25 C ATOM 708 O ASP A 664 0.917 3.487 -0.542 1.00 0.30 O ATOM 709 CB ASP A 664 -1.616 4.870 -1.813 1.00 0.38 C ATOM 710 CG ASP A 664 -1.707 6.279 -2.358 1.00 1.03 C ATOM 711 OD1 ASP A 664 -2.271 6.464 -3.453 1.00 1.72 O ATOM 712 OD2 ASP A 664 -1.219 7.214 -1.687 1.00 1.60 O ATOM 0 H ASP A 664 -1.762 3.249 -3.765 1.00 0.25 H new ATOM 0 HA ASP A 664 0.363 4.802 -2.614 1.00 0.29 H new ATOM 0 HB2 ASP A 664 -2.539 4.336 -2.041 1.00 0.38 H new ATOM 0 HB3 ASP A 664 -1.531 4.910 -0.727 1.00 0.38 H new ATOM 717 N ILE A 665 -0.368 1.872 -1.349 1.00 0.23 N ATOM 718 CA ILE A 665 0.180 0.900 -0.404 1.00 0.24 C ATOM 719 C ILE A 665 1.640 0.623 -0.743 1.00 0.25 C ATOM 720 O ILE A 665 2.468 0.451 0.149 1.00 0.29 O ATOM 721 CB ILE A 665 -0.622 -0.426 -0.342 1.00 0.24 C ATOM 722 CG1 ILE A 665 -0.044 -1.363 0.727 1.00 0.29 C ATOM 723 CG2 ILE A 665 -0.626 -1.120 -1.686 1.00 0.23 C ATOM 724 CD1 ILE A 665 -0.903 -2.579 0.988 1.00 0.38 C ATOM 0 H ILE A 665 -1.095 1.517 -1.970 1.00 0.23 H new ATOM 0 HA ILE A 665 0.101 1.345 0.588 1.00 0.24 H new ATOM 0 HB ILE A 665 -1.649 -0.179 -0.075 1.00 0.24 H new ATOM 0 HG12 ILE A 665 0.949 -1.689 0.416 1.00 0.29 H new ATOM 0 HG13 ILE A 665 0.080 -0.808 1.657 1.00 0.29 H new ATOM 0 HG21 ILE A 665 -1.195 -2.047 -1.615 1.00 0.23 H new ATOM 0 HG22 ILE A 665 -1.084 -0.469 -2.430 1.00 0.23 H new ATOM 0 HG23 ILE A 665 0.399 -1.345 -1.982 1.00 0.23 H new ATOM 0 HD11 ILE A 665 -0.435 -3.197 1.754 1.00 0.38 H new ATOM 0 HD12 ILE A 665 -1.888 -2.262 1.330 1.00 0.38 H new ATOM 0 HD13 ILE A 665 -1.006 -3.156 0.069 1.00 0.38 H new ATOM 736 N VAL A 666 1.951 0.602 -2.038 1.00 0.24 N ATOM 737 CA VAL A 666 3.315 0.417 -2.490 1.00 0.27 C ATOM 738 C VAL A 666 4.221 1.525 -1.953 1.00 0.31 C ATOM 739 O VAL A 666 5.259 1.244 -1.362 1.00 0.40 O ATOM 740 CB VAL A 666 3.386 0.372 -4.035 1.00 0.27 C ATOM 741 CG1 VAL A 666 4.822 0.350 -4.514 1.00 0.34 C ATOM 742 CG2 VAL A 666 2.641 -0.842 -4.564 1.00 0.26 C ATOM 0 H VAL A 666 1.270 0.712 -2.789 1.00 0.24 H new ATOM 0 HA VAL A 666 3.667 -0.539 -2.101 1.00 0.27 H new ATOM 0 HB VAL A 666 2.911 1.275 -4.419 1.00 0.27 H new ATOM 0 HG11 VAL A 666 4.842 0.318 -5.603 1.00 0.34 H new ATOM 0 HG12 VAL A 666 5.335 1.247 -4.168 1.00 0.34 H new ATOM 0 HG13 VAL A 666 5.325 -0.532 -4.116 1.00 0.34 H new ATOM 0 HG21 VAL A 666 2.700 -0.859 -5.652 1.00 0.26 H new ATOM 0 HG22 VAL A 666 3.092 -1.749 -4.162 1.00 0.26 H new ATOM 0 HG23 VAL A 666 1.596 -0.789 -4.258 1.00 0.26 H new ATOM 752 N LYS A 667 3.827 2.782 -2.148 1.00 0.31 N ATOM 753 CA LYS A 667 4.640 3.904 -1.684 1.00 0.38 C ATOM 754 C LYS A 667 4.533 4.115 -0.173 1.00 0.31 C ATOM 755 O LYS A 667 5.534 4.168 0.519 1.00 0.37 O ATOM 756 CB LYS A 667 4.268 5.199 -2.404 1.00 0.53 C ATOM 757 CG LYS A 667 5.106 6.379 -1.936 1.00 0.94 C ATOM 758 CD LYS A 667 4.817 7.644 -2.719 1.00 1.55 C ATOM 759 CE LYS A 667 5.705 8.791 -2.254 1.00 2.46 C ATOM 760 NZ LYS A 667 7.153 8.486 -2.420 1.00 3.48 N ATOM 0 H LYS A 667 2.961 3.047 -2.618 1.00 0.31 H new ATOM 0 HA LYS A 667 5.672 3.646 -1.920 1.00 0.38 H new ATOM 0 HB2 LYS A 667 4.399 5.066 -3.478 1.00 0.53 H new ATOM 0 HB3 LYS A 667 3.213 5.416 -2.236 1.00 0.53 H new ATOM 0 HG2 LYS A 667 4.915 6.559 -0.878 1.00 0.94 H new ATOM 0 HG3 LYS A 667 6.163 6.130 -2.031 1.00 0.94 H new ATOM 0 HD2 LYS A 667 4.978 7.463 -3.782 1.00 1.55 H new ATOM 0 HD3 LYS A 667 3.769 7.919 -2.598 1.00 1.55 H new ATOM 0 HE2 LYS A 667 5.458 9.691 -2.818 1.00 2.46 H new ATOM 0 HE3 LYS A 667 5.499 9.006 -1.205 1.00 2.46 H new ATOM 0 HZ1 LYS A 667 7.703 9.366 -2.354 1.00 3.48 H new ATOM 0 HZ2 LYS A 667 7.458 7.830 -1.673 1.00 3.48 H new ATOM 0 HZ3 LYS A 667 7.311 8.048 -3.350 1.00 3.48 H new ATOM 774 N ILE A 668 3.317 4.239 0.330 1.00 0.25 N ATOM 775 CA ILE A 668 3.084 4.592 1.729 1.00 0.26 C ATOM 776 C ILE A 668 3.725 3.593 2.689 1.00 0.27 C ATOM 777 O ILE A 668 4.290 3.995 3.705 1.00 0.32 O ATOM 778 CB ILE A 668 1.571 4.730 2.038 1.00 0.30 C ATOM 779 CG1 ILE A 668 0.987 5.927 1.278 1.00 1.14 C ATOM 780 CG2 ILE A 668 1.320 4.875 3.535 1.00 0.87 C ATOM 781 CD1 ILE A 668 1.606 7.254 1.660 1.00 1.73 C ATOM 0 H ILE A 668 2.464 4.100 -0.212 1.00 0.25 H new ATOM 0 HA ILE A 668 3.560 5.560 1.884 1.00 0.26 H new ATOM 0 HB ILE A 668 1.073 3.819 1.706 1.00 0.30 H new ATOM 0 HG12 ILE A 668 1.123 5.768 0.208 1.00 1.14 H new ATOM 0 HG13 ILE A 668 -0.087 5.972 1.460 1.00 1.14 H new ATOM 0 HG21 ILE A 668 0.249 4.970 3.717 1.00 0.87 H new ATOM 0 HG22 ILE A 668 1.700 3.995 4.055 1.00 0.87 H new ATOM 0 HG23 ILE A 668 1.831 5.764 3.905 1.00 0.87 H new ATOM 0 HD11 ILE A 668 1.142 8.052 1.081 1.00 1.73 H new ATOM 0 HD12 ILE A 668 1.447 7.437 2.723 1.00 1.73 H new ATOM 0 HD13 ILE A 668 2.676 7.230 1.452 1.00 1.73 H new ATOM 793 N LEU A 669 3.658 2.300 2.373 1.00 0.25 N ATOM 794 CA LEU A 669 4.238 1.301 3.263 1.00 0.29 C ATOM 795 C LEU A 669 5.742 1.514 3.368 1.00 0.30 C ATOM 796 O LEU A 669 6.279 1.603 4.473 1.00 0.37 O ATOM 797 CB LEU A 669 3.923 -0.132 2.813 1.00 0.29 C ATOM 798 CG LEU A 669 3.642 -1.118 3.957 1.00 0.35 C ATOM 799 CD1 LEU A 669 3.081 -2.418 3.409 1.00 0.37 C ATOM 800 CD2 LEU A 669 4.900 -1.388 4.778 1.00 0.39 C ATOM 0 H LEU A 669 3.220 1.929 1.530 1.00 0.25 H new ATOM 0 HA LEU A 669 3.785 1.429 4.246 1.00 0.29 H new ATOM 0 HB2 LEU A 669 3.057 -0.108 2.151 1.00 0.29 H new ATOM 0 HB3 LEU A 669 4.762 -0.507 2.227 1.00 0.29 H new ATOM 0 HG LEU A 669 2.902 -0.664 4.616 1.00 0.35 H new ATOM 0 HD11 LEU A 669 2.887 -3.106 4.232 1.00 0.37 H new ATOM 0 HD12 LEU A 669 2.151 -2.217 2.877 1.00 0.37 H new ATOM 0 HD13 LEU A 669 3.802 -2.865 2.724 1.00 0.37 H new ATOM 0 HD21 LEU A 669 4.668 -2.089 5.579 1.00 0.39 H new ATOM 0 HD22 LEU A 669 5.670 -1.814 4.135 1.00 0.39 H new ATOM 0 HD23 LEU A 669 5.262 -0.454 5.207 1.00 0.39 H new ATOM 812 N THR A 670 6.417 1.638 2.226 1.00 0.27 N ATOM 813 CA THR A 670 7.853 1.865 2.241 1.00 0.30 C ATOM 814 C THR A 670 8.186 3.221 2.843 1.00 0.33 C ATOM 815 O THR A 670 9.090 3.317 3.649 1.00 0.37 O ATOM 816 CB THR A 670 8.522 1.735 0.853 1.00 0.33 C ATOM 817 OG1 THR A 670 9.867 2.214 0.928 1.00 0.34 O ATOM 818 CG2 THR A 670 7.785 2.505 -0.225 1.00 0.37 C ATOM 0 H THR A 670 5.998 1.586 1.297 1.00 0.27 H new ATOM 0 HA THR A 670 8.263 1.071 2.865 1.00 0.30 H new ATOM 0 HB THR A 670 8.497 0.680 0.581 1.00 0.33 H new ATOM 0 HG1 THR A 670 10.483 1.453 0.971 1.00 0.34 H new ATOM 0 HG21 THR A 670 8.298 2.378 -1.178 1.00 0.37 H new ATOM 0 HG22 THR A 670 6.766 2.128 -0.309 1.00 0.37 H new ATOM 0 HG23 THR A 670 7.760 3.563 0.036 1.00 0.37 H new ATOM 826 N THR A 671 7.446 4.258 2.475 1.00 0.36 N ATOM 827 CA THR A 671 7.695 5.588 3.011 1.00 0.43 C ATOM 828 C THR A 671 7.614 5.578 4.538 1.00 0.45 C ATOM 829 O THR A 671 8.474 6.139 5.217 1.00 0.48 O ATOM 830 CB THR A 671 6.696 6.620 2.447 1.00 0.55 C ATOM 831 OG1 THR A 671 6.742 6.626 1.015 1.00 0.61 O ATOM 832 CG2 THR A 671 7.000 8.018 2.967 1.00 0.64 C ATOM 0 H THR A 671 6.673 4.204 1.812 1.00 0.36 H new ATOM 0 HA THR A 671 8.700 5.878 2.706 1.00 0.43 H new ATOM 0 HB THR A 671 5.698 6.332 2.779 1.00 0.55 H new ATOM 0 HG1 THR A 671 6.343 5.800 0.671 1.00 0.61 H new ATOM 0 HG21 THR A 671 6.280 8.725 2.553 1.00 0.64 H new ATOM 0 HG22 THR A 671 6.931 8.025 4.055 1.00 0.64 H new ATOM 0 HG23 THR A 671 8.007 8.307 2.666 1.00 0.64 H new ATOM 840 N LYS A 672 6.593 4.917 5.073 1.00 0.48 N ATOM 841 CA LYS A 672 6.393 4.875 6.512 1.00 0.58 C ATOM 842 C LYS A 672 7.424 3.992 7.206 1.00 0.51 C ATOM 843 O LYS A 672 7.987 4.388 8.226 1.00 0.56 O ATOM 844 CB LYS A 672 4.974 4.410 6.855 1.00 0.74 C ATOM 845 CG LYS A 672 3.905 5.433 6.492 1.00 1.19 C ATOM 846 CD LYS A 672 2.509 4.980 6.895 1.00 1.39 C ATOM 847 CE LYS A 672 2.391 4.768 8.395 1.00 1.74 C ATOM 848 NZ LYS A 672 0.972 4.680 8.829 1.00 2.10 N ATOM 0 H LYS A 672 5.895 4.406 4.532 1.00 0.48 H new ATOM 0 HA LYS A 672 6.527 5.891 6.882 1.00 0.58 H new ATOM 0 HB2 LYS A 672 4.768 3.477 6.331 1.00 0.74 H new ATOM 0 HB3 LYS A 672 4.916 4.196 7.922 1.00 0.74 H new ATOM 0 HG2 LYS A 672 4.132 6.381 6.980 1.00 1.19 H new ATOM 0 HG3 LYS A 672 3.929 5.614 5.417 1.00 1.19 H new ATOM 0 HD2 LYS A 672 1.780 5.724 6.575 1.00 1.39 H new ATOM 0 HD3 LYS A 672 2.265 4.052 6.377 1.00 1.39 H new ATOM 0 HE2 LYS A 672 2.914 3.854 8.675 1.00 1.74 H new ATOM 0 HE3 LYS A 672 2.881 5.589 8.918 1.00 1.74 H new ATOM 0 HZ1 LYS A 672 0.932 4.535 9.858 1.00 2.10 H new ATOM 0 HZ2 LYS A 672 0.479 5.562 8.584 1.00 2.10 H new ATOM 0 HZ3 LYS A 672 0.511 3.881 8.349 1.00 2.10 H new ATOM 862 N GLU A 673 7.671 2.793 6.684 1.00 0.46 N ATOM 863 CA GLU A 673 8.645 1.914 7.318 1.00 0.54 C ATOM 864 C GLU A 673 10.090 2.374 7.075 1.00 0.40 C ATOM 865 O GLU A 673 10.994 2.017 7.832 1.00 0.38 O ATOM 866 CB GLU A 673 8.430 0.435 6.964 1.00 0.79 C ATOM 867 CG GLU A 673 8.720 0.018 5.534 1.00 0.39 C ATOM 868 CD GLU A 673 8.976 -1.472 5.472 1.00 0.66 C ATOM 869 OE1 GLU A 673 10.040 -1.912 5.963 1.00 1.30 O ATOM 870 OE2 GLU A 673 8.106 -2.216 4.974 1.00 1.22 O ATOM 0 H GLU A 673 7.224 2.417 5.848 1.00 0.46 H new ATOM 0 HA GLU A 673 8.472 1.992 8.391 1.00 0.54 H new ATOM 0 HB2 GLU A 673 9.055 -0.165 7.625 1.00 0.79 H new ATOM 0 HB3 GLU A 673 7.394 0.181 7.187 1.00 0.79 H new ATOM 0 HG2 GLU A 673 7.878 0.278 4.893 1.00 0.39 H new ATOM 0 HG3 GLU A 673 9.587 0.560 5.157 1.00 0.39 H new ATOM 877 N LEU A 674 10.303 3.163 6.027 1.00 0.37 N ATOM 878 CA LEU A 674 11.598 3.799 5.774 1.00 0.38 C ATOM 879 C LEU A 674 11.737 5.025 6.668 1.00 0.38 C ATOM 880 O LEU A 674 12.834 5.508 6.932 1.00 0.44 O ATOM 881 CB LEU A 674 11.717 4.210 4.303 1.00 0.48 C ATOM 882 CG LEU A 674 13.138 4.367 3.763 1.00 0.56 C ATOM 883 CD1 LEU A 674 13.870 3.035 3.786 1.00 0.85 C ATOM 884 CD2 LEU A 674 13.102 4.927 2.350 1.00 1.06 C ATOM 0 H LEU A 674 9.590 3.381 5.331 1.00 0.37 H new ATOM 0 HA LEU A 674 12.394 3.088 5.997 1.00 0.38 H new ATOM 0 HB2 LEU A 674 11.199 3.467 3.696 1.00 0.48 H new ATOM 0 HB3 LEU A 674 11.192 5.155 4.167 1.00 0.48 H new ATOM 0 HG LEU A 674 13.677 5.065 4.404 1.00 0.56 H new ATOM 0 HD11 LEU A 674 14.880 3.168 3.398 1.00 0.85 H new ATOM 0 HD12 LEU A 674 13.921 2.665 4.810 1.00 0.85 H new ATOM 0 HD13 LEU A 674 13.335 2.315 3.167 1.00 0.85 H new ATOM 0 HD21 LEU A 674 14.120 5.035 1.975 1.00 1.06 H new ATOM 0 HD22 LEU A 674 12.547 4.247 1.703 1.00 1.06 H new ATOM 0 HD23 LEU A 674 12.613 5.901 2.357 1.00 1.06 H new ATOM 896 N LYS A 675 10.600 5.541 7.108 1.00 0.39 N ATOM 897 CA LYS A 675 10.571 6.600 8.104 1.00 0.48 C ATOM 898 C LYS A 675 10.917 6.003 9.462 1.00 0.48 C ATOM 899 O LYS A 675 11.428 6.683 10.353 1.00 0.57 O ATOM 900 CB LYS A 675 9.188 7.254 8.127 1.00 0.59 C ATOM 901 CG LYS A 675 9.081 8.469 9.028 1.00 1.04 C ATOM 902 CD LYS A 675 7.686 9.063 8.957 1.00 1.53 C ATOM 903 CE LYS A 675 7.543 10.282 9.846 1.00 2.44 C ATOM 904 NZ LYS A 675 6.160 10.829 9.805 1.00 3.00 N ATOM 0 H LYS A 675 9.679 5.241 6.788 1.00 0.39 H new ATOM 0 HA LYS A 675 11.302 7.371 7.858 1.00 0.48 H new ATOM 0 HB2 LYS A 675 8.921 7.546 7.111 1.00 0.59 H new ATOM 0 HB3 LYS A 675 8.455 6.514 8.448 1.00 0.59 H new ATOM 0 HG2 LYS A 675 9.311 8.188 10.056 1.00 1.04 H new ATOM 0 HG3 LYS A 675 9.816 9.216 8.730 1.00 1.04 H new ATOM 0 HD2 LYS A 675 7.461 9.337 7.926 1.00 1.53 H new ATOM 0 HD3 LYS A 675 6.956 8.310 9.254 1.00 1.53 H new ATOM 0 HE2 LYS A 675 7.800 10.018 10.872 1.00 2.44 H new ATOM 0 HE3 LYS A 675 8.248 11.050 9.528 1.00 2.44 H new ATOM 0 HZ1 LYS A 675 6.098 11.662 10.424 1.00 3.00 H new ATOM 0 HZ2 LYS A 675 5.924 11.104 8.830 1.00 3.00 H new ATOM 0 HZ3 LYS A 675 5.490 10.104 10.132 1.00 3.00 H new ATOM 918 N LYS A 676 10.621 4.717 9.607 1.00 0.43 N ATOM 919 CA LYS A 676 11.054 3.954 10.769 1.00 0.48 C ATOM 920 C LYS A 676 12.551 3.703 10.686 1.00 0.42 C ATOM 921 O LYS A 676 13.309 4.029 11.600 1.00 0.50 O ATOM 922 CB LYS A 676 10.352 2.599 10.812 1.00 0.55 C ATOM 923 CG LYS A 676 8.852 2.656 11.018 1.00 1.42 C ATOM 924 CD LYS A 676 8.188 1.315 10.713 1.00 1.94 C ATOM 925 CE LYS A 676 8.766 0.159 11.529 1.00 2.50 C ATOM 926 NZ LYS A 676 10.062 -0.352 10.986 1.00 3.41 N ATOM 0 H LYS A 676 10.080 4.179 8.930 1.00 0.43 H new ATOM 0 HA LYS A 676 10.807 4.527 11.663 1.00 0.48 H new ATOM 0 HB2 LYS A 676 10.555 2.073 9.879 1.00 0.55 H new ATOM 0 HB3 LYS A 676 10.791 2.006 11.614 1.00 0.55 H new ATOM 0 HG2 LYS A 676 8.637 2.943 12.047 1.00 1.42 H new ATOM 0 HG3 LYS A 676 8.426 3.427 10.377 1.00 1.42 H new ATOM 0 HD2 LYS A 676 7.119 1.393 10.911 1.00 1.94 H new ATOM 0 HD3 LYS A 676 8.300 1.094 9.652 1.00 1.94 H new ATOM 0 HE2 LYS A 676 8.914 0.487 12.558 1.00 2.50 H new ATOM 0 HE3 LYS A 676 8.043 -0.656 11.555 1.00 2.50 H new ATOM 0 HZ1 LYS A 676 10.028 -1.390 10.925 1.00 3.41 H new ATOM 0 HZ2 LYS A 676 10.222 0.045 10.038 1.00 3.41 H new ATOM 0 HZ3 LYS A 676 10.839 -0.067 11.616 1.00 3.41 H new ATOM 940 N ASP A 677 12.955 3.123 9.565 1.00 0.37 N ATOM 941 CA ASP A 677 14.344 2.766 9.320 1.00 0.44 C ATOM 942 C ASP A 677 14.734 3.256 7.932 1.00 0.38 C ATOM 943 O ASP A 677 14.323 2.678 6.930 1.00 0.33 O ATOM 944 CB ASP A 677 14.532 1.242 9.413 1.00 0.60 C ATOM 945 CG ASP A 677 14.113 0.669 10.754 1.00 1.40 C ATOM 946 OD1 ASP A 677 12.898 0.442 10.963 1.00 2.13 O ATOM 947 OD2 ASP A 677 14.996 0.442 11.608 1.00 1.68 O ATOM 0 H ASP A 677 12.326 2.886 8.798 1.00 0.37 H new ATOM 0 HA ASP A 677 14.979 3.233 10.073 1.00 0.44 H new ATOM 0 HB2 ASP A 677 13.954 0.762 8.623 1.00 0.60 H new ATOM 0 HB3 ASP A 677 15.579 1.000 9.233 1.00 0.60 H new ATOM 952 N SER A 678 15.519 4.323 7.869 1.00 0.47 N ATOM 953 CA SER A 678 15.784 4.994 6.601 1.00 0.52 C ATOM 954 C SER A 678 16.771 4.220 5.733 1.00 0.47 C ATOM 955 O SER A 678 16.954 4.530 4.553 1.00 0.52 O ATOM 956 CB SER A 678 16.284 6.413 6.859 1.00 0.72 C ATOM 957 OG SER A 678 17.230 6.436 7.917 1.00 0.83 O ATOM 0 H SER A 678 15.982 4.742 8.676 1.00 0.47 H new ATOM 0 HA SER A 678 14.847 5.039 6.046 1.00 0.52 H new ATOM 0 HB2 SER A 678 16.738 6.813 5.952 1.00 0.72 H new ATOM 0 HB3 SER A 678 15.442 7.060 7.106 1.00 0.72 H new ATOM 0 HG SER A 678 17.536 7.356 8.062 1.00 0.83 H new ATOM 963 N SER A 679 17.400 3.213 6.312 1.00 0.45 N ATOM 964 CA SER A 679 18.285 2.343 5.566 1.00 0.48 C ATOM 965 C SER A 679 17.686 0.944 5.499 1.00 0.42 C ATOM 966 O SER A 679 18.394 -0.062 5.570 1.00 0.58 O ATOM 967 CB SER A 679 19.666 2.310 6.221 1.00 0.64 C ATOM 968 OG SER A 679 20.176 3.625 6.382 1.00 1.54 O ATOM 0 H SER A 679 17.312 2.979 7.301 1.00 0.45 H new ATOM 0 HA SER A 679 18.399 2.725 4.552 1.00 0.48 H new ATOM 0 HB2 SER A 679 19.602 1.818 7.192 1.00 0.64 H new ATOM 0 HB3 SER A 679 20.350 1.721 5.610 1.00 0.64 H new ATOM 0 HG SER A 679 21.059 3.584 6.804 1.00 1.54 H new ATOM 974 N ARG A 680 16.367 0.890 5.371 1.00 0.35 N ATOM 975 CA ARG A 680 15.655 -0.374 5.320 1.00 0.45 C ATOM 976 C ARG A 680 15.554 -0.830 3.873 1.00 0.34 C ATOM 977 O ARG A 680 14.768 -0.293 3.097 1.00 0.34 O ATOM 978 CB ARG A 680 14.257 -0.222 5.931 1.00 0.64 C ATOM 979 CG ARG A 680 13.676 -1.502 6.525 1.00 0.66 C ATOM 980 CD ARG A 680 13.470 -2.588 5.480 1.00 1.09 C ATOM 981 NE ARG A 680 12.735 -3.734 6.013 1.00 1.07 N ATOM 982 CZ ARG A 680 13.168 -4.994 5.946 1.00 1.63 C ATOM 983 NH1 ARG A 680 14.335 -5.271 5.373 1.00 2.62 N ATOM 984 NH2 ARG A 680 12.431 -5.978 6.447 1.00 1.71 N ATOM 0 H ARG A 680 15.768 1.713 5.300 1.00 0.35 H new ATOM 0 HA ARG A 680 16.199 -1.121 5.898 1.00 0.45 H new ATOM 0 HB2 ARG A 680 14.297 0.538 6.711 1.00 0.64 H new ATOM 0 HB3 ARG A 680 13.578 0.146 5.162 1.00 0.64 H new ATOM 0 HG2 ARG A 680 14.343 -1.873 7.303 1.00 0.66 H new ATOM 0 HG3 ARG A 680 12.723 -1.277 7.003 1.00 0.66 H new ATOM 0 HD2 ARG A 680 12.928 -2.174 4.630 1.00 1.09 H new ATOM 0 HD3 ARG A 680 14.439 -2.921 5.108 1.00 1.09 H new ATOM 0 HE ARG A 680 11.837 -3.559 6.463 1.00 1.07 H new ATOM 0 HH11 ARG A 680 14.903 -4.519 4.983 1.00 2.62 H new ATOM 0 HH12 ARG A 680 14.663 -6.236 5.324 1.00 2.62 H new ATOM 0 HH21 ARG A 680 11.533 -5.771 6.884 1.00 1.71 H new ATOM 0 HH22 ARG A 680 12.763 -6.941 6.395 1.00 1.71 H new ATOM 998 N ALA A 681 16.370 -1.801 3.515 1.00 0.36 N ATOM 999 CA ALA A 681 16.358 -2.355 2.172 1.00 0.31 C ATOM 1000 C ALA A 681 15.183 -3.309 2.011 1.00 0.27 C ATOM 1001 O ALA A 681 14.952 -4.162 2.869 1.00 0.34 O ATOM 1002 CB ALA A 681 17.666 -3.069 1.878 1.00 0.40 C ATOM 0 H ALA A 681 17.055 -2.227 4.139 1.00 0.36 H new ATOM 0 HA ALA A 681 16.247 -1.538 1.459 1.00 0.31 H new ATOM 0 HB1 ALA A 681 17.639 -3.477 0.868 1.00 0.40 H new ATOM 0 HB2 ALA A 681 18.493 -2.363 1.962 1.00 0.40 H new ATOM 0 HB3 ALA A 681 17.807 -3.879 2.593 1.00 0.40 H new ATOM 1008 N PRO A 682 14.429 -3.174 0.912 1.00 0.24 N ATOM 1009 CA PRO A 682 13.235 -3.986 0.655 1.00 0.23 C ATOM 1010 C PRO A 682 13.547 -5.470 0.590 1.00 0.25 C ATOM 1011 O PRO A 682 14.414 -5.890 -0.184 1.00 0.31 O ATOM 1012 CB PRO A 682 12.748 -3.503 -0.716 1.00 0.27 C ATOM 1013 CG PRO A 682 13.917 -2.811 -1.325 1.00 0.29 C ATOM 1014 CD PRO A 682 14.684 -2.222 -0.179 1.00 0.31 C ATOM 0 HA PRO A 682 12.500 -3.872 1.452 1.00 0.23 H new ATOM 0 HB2 PRO A 682 12.420 -4.339 -1.334 1.00 0.27 H new ATOM 0 HB3 PRO A 682 11.899 -2.827 -0.616 1.00 0.27 H new ATOM 0 HG2 PRO A 682 14.534 -3.509 -1.891 1.00 0.29 H new ATOM 0 HG3 PRO A 682 13.594 -2.035 -2.020 1.00 0.29 H new ATOM 0 HD2 PRO A 682 15.747 -2.141 -0.404 1.00 0.31 H new ATOM 0 HD3 PRO A 682 14.334 -1.220 0.069 1.00 0.31 H new ATOM 1022 N PRO A 683 12.860 -6.287 1.403 1.00 0.25 N ATOM 1023 CA PRO A 683 13.029 -7.738 1.360 1.00 0.27 C ATOM 1024 C PRO A 683 12.664 -8.296 -0.011 1.00 0.29 C ATOM 1025 O PRO A 683 11.917 -7.662 -0.753 1.00 0.38 O ATOM 1026 CB PRO A 683 12.073 -8.261 2.439 1.00 0.32 C ATOM 1027 CG PRO A 683 11.125 -7.141 2.707 1.00 0.38 C ATOM 1028 CD PRO A 683 11.878 -5.872 2.424 1.00 0.28 C ATOM 0 HA PRO A 683 14.062 -8.040 1.535 1.00 0.27 H new ATOM 0 HB2 PRO A 683 11.543 -9.150 2.097 1.00 0.32 H new ATOM 0 HB3 PRO A 683 12.615 -8.541 3.342 1.00 0.32 H new ATOM 0 HG2 PRO A 683 10.242 -7.219 2.072 1.00 0.38 H new ATOM 0 HG3 PRO A 683 10.778 -7.165 3.740 1.00 0.38 H new ATOM 0 HD2 PRO A 683 11.219 -5.086 2.054 1.00 0.28 H new ATOM 0 HD3 PRO A 683 12.366 -5.484 3.318 1.00 0.28 H new ATOM 1036 N ASP A 684 13.206 -9.454 -0.355 1.00 0.37 N ATOM 1037 CA ASP A 684 13.008 -10.023 -1.684 1.00 0.47 C ATOM 1038 C ASP A 684 11.523 -10.176 -2.020 1.00 0.37 C ATOM 1039 O ASP A 684 11.033 -9.579 -2.983 1.00 0.40 O ATOM 1040 CB ASP A 684 13.736 -11.370 -1.806 1.00 0.70 C ATOM 1041 CG ASP A 684 13.392 -12.333 -0.687 1.00 1.52 C ATOM 1042 OD1 ASP A 684 13.957 -12.187 0.418 1.00 2.24 O ATOM 1043 OD2 ASP A 684 12.558 -13.236 -0.911 1.00 2.04 O ATOM 0 H ASP A 684 13.786 -10.019 0.265 1.00 0.37 H new ATOM 0 HA ASP A 684 13.435 -9.329 -2.408 1.00 0.47 H new ATOM 0 HB2 ASP A 684 13.483 -11.828 -2.762 1.00 0.70 H new ATOM 0 HB3 ASP A 684 14.812 -11.196 -1.810 1.00 0.70 H new ATOM 1048 N ASP A 685 10.815 -10.964 -1.230 1.00 0.36 N ATOM 1049 CA ASP A 685 9.399 -11.209 -1.456 1.00 0.39 C ATOM 1050 C ASP A 685 8.680 -11.328 -0.127 1.00 0.34 C ATOM 1051 O ASP A 685 9.292 -11.172 0.932 1.00 0.31 O ATOM 1052 CB ASP A 685 9.199 -12.478 -2.288 1.00 0.61 C ATOM 1053 CG ASP A 685 7.908 -12.463 -3.083 1.00 1.11 C ATOM 1054 OD1 ASP A 685 6.846 -12.800 -2.517 1.00 1.54 O ATOM 1055 OD2 ASP A 685 7.954 -12.115 -4.283 1.00 1.95 O ATOM 0 H ASP A 685 11.200 -11.449 -0.420 1.00 0.36 H new ATOM 0 HA ASP A 685 8.981 -10.369 -2.011 1.00 0.39 H new ATOM 0 HB2 ASP A 685 10.040 -12.595 -2.972 1.00 0.61 H new ATOM 0 HB3 ASP A 685 9.203 -13.345 -1.627 1.00 0.61 H new ATOM 1060 N LEU A 686 7.388 -11.595 -0.191 1.00 0.39 N ATOM 1061 CA LEU A 686 6.555 -11.685 0.983 1.00 0.39 C ATOM 1062 C LEU A 686 6.970 -12.838 1.875 1.00 0.40 C ATOM 1063 O LEU A 686 6.613 -13.989 1.620 1.00 0.47 O ATOM 1064 CB LEU A 686 5.106 -11.885 0.566 1.00 0.51 C ATOM 1065 CG LEU A 686 4.257 -10.627 0.464 1.00 0.50 C ATOM 1066 CD1 LEU A 686 2.786 -10.995 0.405 1.00 1.27 C ATOM 1067 CD2 LEU A 686 4.531 -9.690 1.624 1.00 0.94 C ATOM 0 H LEU A 686 6.889 -11.756 -1.066 1.00 0.39 H new ATOM 0 HA LEU A 686 6.668 -10.756 1.542 1.00 0.39 H new ATOM 0 HB2 LEU A 686 5.094 -12.386 -0.402 1.00 0.51 H new ATOM 0 HB3 LEU A 686 4.634 -12.560 1.280 1.00 0.51 H new ATOM 0 HG LEU A 686 4.524 -10.104 -0.454 1.00 0.50 H new ATOM 0 HD11 LEU A 686 2.187 -10.088 0.332 1.00 1.27 H new ATOM 0 HD12 LEU A 686 2.603 -11.622 -0.467 1.00 1.27 H new ATOM 0 HD13 LEU A 686 2.511 -11.540 1.308 1.00 1.27 H new ATOM 0 HD21 LEU A 686 3.911 -8.799 1.526 1.00 0.94 H new ATOM 0 HD22 LEU A 686 4.297 -10.194 2.562 1.00 0.94 H new ATOM 0 HD23 LEU A 686 5.582 -9.403 1.619 1.00 0.94 H new ATOM 1079 N THR A 687 7.749 -12.531 2.893 1.00 0.40 N ATOM 1080 CA THR A 687 8.037 -13.490 3.933 1.00 0.47 C ATOM 1081 C THR A 687 6.832 -13.567 4.863 1.00 0.42 C ATOM 1082 O THR A 687 6.112 -12.582 4.999 1.00 0.46 O ATOM 1083 CB THR A 687 9.291 -13.075 4.727 1.00 0.58 C ATOM 1084 OG1 THR A 687 10.255 -12.484 3.843 1.00 0.76 O ATOM 1085 CG2 THR A 687 9.915 -14.272 5.423 1.00 1.00 C ATOM 0 H THR A 687 8.193 -11.622 3.020 1.00 0.40 H new ATOM 0 HA THR A 687 8.232 -14.465 3.486 1.00 0.47 H new ATOM 0 HB THR A 687 8.989 -12.350 5.483 1.00 0.58 H new ATOM 0 HG1 THR A 687 11.049 -12.221 4.354 1.00 0.76 H new ATOM 0 HG21 THR A 687 10.798 -13.952 5.976 1.00 1.00 H new ATOM 0 HG22 THR A 687 9.193 -14.709 6.113 1.00 1.00 H new ATOM 0 HG23 THR A 687 10.202 -15.016 4.680 1.00 1.00 H new ATOM 1093 N LYS A 688 6.612 -14.723 5.482 1.00 0.42 N ATOM 1094 CA LYS A 688 5.416 -14.964 6.298 1.00 0.41 C ATOM 1095 C LYS A 688 5.104 -13.797 7.240 1.00 0.35 C ATOM 1096 O LYS A 688 3.968 -13.324 7.294 1.00 0.34 O ATOM 1097 CB LYS A 688 5.586 -16.258 7.096 1.00 0.54 C ATOM 1098 CG LYS A 688 5.812 -17.479 6.219 1.00 1.39 C ATOM 1099 CD LYS A 688 6.010 -18.742 7.040 1.00 1.84 C ATOM 1100 CE LYS A 688 7.220 -18.633 7.957 1.00 2.44 C ATOM 1101 NZ LYS A 688 7.447 -19.884 8.726 1.00 2.94 N ATOM 0 H LYS A 688 7.250 -15.517 5.436 1.00 0.42 H new ATOM 0 HA LYS A 688 4.570 -15.058 5.618 1.00 0.41 H new ATOM 0 HB2 LYS A 688 6.429 -16.148 7.778 1.00 0.54 H new ATOM 0 HB3 LYS A 688 4.699 -16.418 7.709 1.00 0.54 H new ATOM 0 HG2 LYS A 688 4.959 -17.610 5.553 1.00 1.39 H new ATOM 0 HG3 LYS A 688 6.686 -17.316 5.589 1.00 1.39 H new ATOM 0 HD2 LYS A 688 5.118 -18.932 7.636 1.00 1.84 H new ATOM 0 HD3 LYS A 688 6.135 -19.594 6.372 1.00 1.84 H new ATOM 0 HE2 LYS A 688 8.106 -18.406 7.364 1.00 2.44 H new ATOM 0 HE3 LYS A 688 7.078 -17.803 8.649 1.00 2.44 H new ATOM 0 HZ1 LYS A 688 8.280 -19.769 9.338 1.00 2.94 H new ATOM 0 HZ2 LYS A 688 6.612 -20.088 9.312 1.00 2.94 H new ATOM 0 HZ3 LYS A 688 7.608 -20.672 8.067 1.00 2.94 H new ATOM 1115 N GLY A 689 6.118 -13.327 7.961 1.00 0.43 N ATOM 1116 CA GLY A 689 5.935 -12.202 8.865 1.00 0.48 C ATOM 1117 C GLY A 689 5.477 -10.940 8.150 1.00 0.39 C ATOM 1118 O GLY A 689 4.469 -10.340 8.527 1.00 0.44 O ATOM 0 H GLY A 689 7.065 -13.705 7.936 1.00 0.43 H new ATOM 0 HA2 GLY A 689 5.202 -12.469 9.626 1.00 0.48 H new ATOM 0 HA3 GLY A 689 6.873 -12.001 9.382 1.00 0.48 H new ATOM 1122 N LYS A 690 6.206 -10.557 7.105 1.00 0.37 N ATOM 1123 CA LYS A 690 5.891 -9.355 6.334 1.00 0.34 C ATOM 1124 C LYS A 690 4.532 -9.503 5.643 1.00 0.23 C ATOM 1125 O LYS A 690 3.723 -8.578 5.645 1.00 0.24 O ATOM 1126 CB LYS A 690 6.989 -9.098 5.291 1.00 0.48 C ATOM 1127 CG LYS A 690 7.560 -7.682 5.308 1.00 0.73 C ATOM 1128 CD LYS A 690 6.519 -6.639 4.932 1.00 0.83 C ATOM 1129 CE LYS A 690 7.149 -5.277 4.668 1.00 0.84 C ATOM 1130 NZ LYS A 690 7.795 -4.692 5.873 1.00 0.95 N ATOM 0 H LYS A 690 7.025 -11.065 6.770 1.00 0.37 H new ATOM 0 HA LYS A 690 5.842 -8.506 7.016 1.00 0.34 H new ATOM 0 HB2 LYS A 690 7.801 -9.806 5.456 1.00 0.48 H new ATOM 0 HB3 LYS A 690 6.585 -9.301 4.299 1.00 0.48 H new ATOM 0 HG2 LYS A 690 7.951 -7.461 6.301 1.00 0.73 H new ATOM 0 HG3 LYS A 690 8.399 -7.622 4.615 1.00 0.73 H new ATOM 0 HD2 LYS A 690 5.980 -6.968 4.044 1.00 0.83 H new ATOM 0 HD3 LYS A 690 5.787 -6.551 5.735 1.00 0.83 H new ATOM 0 HE2 LYS A 690 7.891 -5.374 3.876 1.00 0.84 H new ATOM 0 HE3 LYS A 690 6.382 -4.592 4.305 1.00 0.84 H new ATOM 0 HZ1 LYS A 690 7.704 -3.656 5.848 1.00 0.95 H new ATOM 0 HZ2 LYS A 690 7.331 -5.060 6.728 1.00 0.95 H new ATOM 0 HZ3 LYS A 690 8.802 -4.950 5.887 1.00 0.95 H new ATOM 1144 N ARG A 691 4.297 -10.678 5.066 1.00 0.24 N ATOM 1145 CA ARG A 691 3.033 -11.000 4.411 1.00 0.26 C ATOM 1146 C ARG A 691 1.856 -10.817 5.361 1.00 0.28 C ATOM 1147 O ARG A 691 0.826 -10.264 4.981 1.00 0.34 O ATOM 1148 CB ARG A 691 3.075 -12.440 3.889 1.00 0.40 C ATOM 1149 CG ARG A 691 1.735 -12.967 3.408 1.00 0.53 C ATOM 1150 CD ARG A 691 1.850 -14.406 2.940 1.00 0.76 C ATOM 1151 NE ARG A 691 0.544 -14.996 2.656 1.00 1.38 N ATOM 1152 CZ ARG A 691 0.152 -16.179 3.123 1.00 1.90 C ATOM 1153 NH1 ARG A 691 0.983 -16.924 3.840 1.00 2.02 N ATOM 1154 NH2 ARG A 691 -1.068 -16.626 2.853 1.00 2.83 N ATOM 0 H ARG A 691 4.980 -11.436 5.039 1.00 0.24 H new ATOM 0 HA ARG A 691 2.895 -10.315 3.574 1.00 0.26 H new ATOM 0 HB2 ARG A 691 3.791 -12.496 3.069 1.00 0.40 H new ATOM 0 HB3 ARG A 691 3.446 -13.091 4.681 1.00 0.40 H new ATOM 0 HG2 ARG A 691 1.004 -12.901 4.214 1.00 0.53 H new ATOM 0 HG3 ARG A 691 1.367 -12.344 2.592 1.00 0.53 H new ATOM 0 HD2 ARG A 691 2.469 -14.447 2.044 1.00 0.76 H new ATOM 0 HD3 ARG A 691 2.356 -14.996 3.704 1.00 0.76 H new ATOM 0 HE ARG A 691 -0.103 -14.472 2.067 1.00 1.38 H new ATOM 0 HH11 ARG A 691 1.927 -16.591 4.036 1.00 2.02 H new ATOM 0 HH12 ARG A 691 0.678 -17.830 4.196 1.00 2.02 H new ATOM 0 HH21 ARG A 691 -1.704 -16.063 2.288 1.00 2.83 H new ATOM 0 HH22 ARG A 691 -1.370 -17.532 3.210 1.00 2.83 H new ATOM 1168 N HIS A 692 2.014 -11.270 6.594 1.00 0.31 N ATOM 1169 CA HIS A 692 0.961 -11.121 7.586 1.00 0.41 C ATOM 1170 C HIS A 692 0.703 -9.641 7.845 1.00 0.40 C ATOM 1171 O HIS A 692 -0.442 -9.200 7.923 1.00 0.48 O ATOM 1172 CB HIS A 692 1.356 -11.817 8.889 1.00 0.54 C ATOM 1173 CG HIS A 692 0.195 -12.113 9.791 1.00 0.90 C ATOM 1174 ND1 HIS A 692 -0.376 -11.183 10.635 1.00 1.60 N ATOM 1175 CD2 HIS A 692 -0.501 -13.258 9.978 1.00 1.58 C ATOM 1176 CE1 HIS A 692 -1.366 -11.745 11.299 1.00 1.90 C ATOM 1177 NE2 HIS A 692 -1.462 -13.003 10.920 1.00 1.83 N ATOM 0 H HIS A 692 2.854 -11.740 6.930 1.00 0.31 H new ATOM 0 HA HIS A 692 0.050 -11.584 7.205 1.00 0.41 H new ATOM 0 HB2 HIS A 692 1.867 -12.750 8.652 1.00 0.54 H new ATOM 0 HB3 HIS A 692 2.069 -11.190 9.424 1.00 0.54 H new ATOM 0 HD1 HIS A 692 -0.078 -10.212 10.730 1.00 1.60 H new ATOM 0 HD2 HIS A 692 -0.330 -14.199 9.477 1.00 1.58 H new ATOM 0 HE1 HIS A 692 -1.993 -11.257 12.030 1.00 1.90 H new ATOM 1186 N LYS A 693 1.784 -8.879 7.947 1.00 0.34 N ATOM 1187 CA LYS A 693 1.702 -7.464 8.271 1.00 0.38 C ATOM 1188 C LYS A 693 1.085 -6.659 7.124 1.00 0.30 C ATOM 1189 O LYS A 693 0.235 -5.798 7.357 1.00 0.35 O ATOM 1190 CB LYS A 693 3.096 -6.931 8.612 1.00 0.45 C ATOM 1191 CG LYS A 693 3.081 -5.637 9.412 1.00 1.15 C ATOM 1192 CD LYS A 693 2.284 -5.793 10.700 1.00 1.51 C ATOM 1193 CE LYS A 693 2.535 -4.642 11.661 1.00 1.69 C ATOM 1194 NZ LYS A 693 3.911 -4.682 12.226 1.00 1.99 N ATOM 0 H LYS A 693 2.734 -9.222 7.808 1.00 0.34 H new ATOM 0 HA LYS A 693 1.050 -7.349 9.137 1.00 0.38 H new ATOM 0 HB2 LYS A 693 3.637 -7.690 9.177 1.00 0.45 H new ATOM 0 HB3 LYS A 693 3.649 -6.769 7.687 1.00 0.45 H new ATOM 0 HG2 LYS A 693 4.103 -5.341 9.648 1.00 1.15 H new ATOM 0 HG3 LYS A 693 2.649 -4.839 8.809 1.00 1.15 H new ATOM 0 HD2 LYS A 693 1.221 -5.846 10.466 1.00 1.51 H new ATOM 0 HD3 LYS A 693 2.551 -6.734 11.181 1.00 1.51 H new ATOM 0 HE2 LYS A 693 2.383 -3.696 11.142 1.00 1.69 H new ATOM 0 HE3 LYS A 693 1.808 -4.681 12.472 1.00 1.69 H new ATOM 0 HZ1 LYS A 693 3.957 -4.078 13.071 1.00 1.99 H new ATOM 0 HZ2 LYS A 693 4.151 -5.660 12.486 1.00 1.99 H new ATOM 0 HZ3 LYS A 693 4.588 -4.336 11.516 1.00 1.99 H new ATOM 1208 N VAL A 694 1.502 -6.941 5.887 1.00 0.22 N ATOM 1209 CA VAL A 694 0.976 -6.217 4.729 1.00 0.20 C ATOM 1210 C VAL A 694 -0.514 -6.507 4.541 1.00 0.22 C ATOM 1211 O VAL A 694 -1.267 -5.646 4.095 1.00 0.25 O ATOM 1212 CB VAL A 694 1.736 -6.533 3.417 1.00 0.19 C ATOM 1213 CG1 VAL A 694 3.213 -6.209 3.561 1.00 0.24 C ATOM 1214 CG2 VAL A 694 1.546 -7.980 2.995 1.00 0.19 C ATOM 0 H VAL A 694 2.194 -7.657 5.664 1.00 0.22 H new ATOM 0 HA VAL A 694 1.124 -5.158 4.942 1.00 0.20 H new ATOM 0 HB VAL A 694 1.316 -5.902 2.634 1.00 0.19 H new ATOM 0 HG11 VAL A 694 3.728 -6.438 2.628 1.00 0.24 H new ATOM 0 HG12 VAL A 694 3.333 -5.150 3.791 1.00 0.24 H new ATOM 0 HG13 VAL A 694 3.639 -6.806 4.367 1.00 0.24 H new ATOM 0 HG21 VAL A 694 2.094 -8.164 2.071 1.00 0.19 H new ATOM 0 HG22 VAL A 694 1.922 -8.639 3.777 1.00 0.19 H new ATOM 0 HG23 VAL A 694 0.486 -8.176 2.834 1.00 0.19 H new ATOM 1224 N LYS A 695 -0.935 -7.718 4.905 1.00 0.22 N ATOM 1225 CA LYS A 695 -2.337 -8.109 4.800 1.00 0.27 C ATOM 1226 C LYS A 695 -3.186 -7.364 5.823 1.00 0.31 C ATOM 1227 O LYS A 695 -4.304 -6.942 5.527 1.00 0.36 O ATOM 1228 CB LYS A 695 -2.487 -9.623 4.979 1.00 0.30 C ATOM 1229 CG LYS A 695 -2.037 -10.422 3.764 1.00 0.98 C ATOM 1230 CD LYS A 695 -2.949 -10.179 2.570 1.00 1.59 C ATOM 1231 CE LYS A 695 -4.324 -10.791 2.791 1.00 2.05 C ATOM 1232 NZ LYS A 695 -5.304 -10.358 1.758 1.00 2.49 N ATOM 0 H LYS A 695 -0.323 -8.445 5.275 1.00 0.22 H new ATOM 0 HA LYS A 695 -2.691 -7.841 3.804 1.00 0.27 H new ATOM 0 HB2 LYS A 695 -1.908 -9.938 5.847 1.00 0.30 H new ATOM 0 HB3 LYS A 695 -3.531 -9.855 5.191 1.00 0.30 H new ATOM 0 HG2 LYS A 695 -1.015 -10.147 3.505 1.00 0.98 H new ATOM 0 HG3 LYS A 695 -2.030 -11.484 4.008 1.00 0.98 H new ATOM 0 HD2 LYS A 695 -3.049 -9.107 2.398 1.00 1.59 H new ATOM 0 HD3 LYS A 695 -2.499 -10.605 1.673 1.00 1.59 H new ATOM 0 HE2 LYS A 695 -4.242 -11.878 2.779 1.00 2.05 H new ATOM 0 HE3 LYS A 695 -4.691 -10.510 3.778 1.00 2.05 H new ATOM 0 HZ1 LYS A 695 -6.226 -10.799 1.948 1.00 2.49 H new ATOM 0 HZ2 LYS A 695 -5.403 -9.323 1.785 1.00 2.49 H new ATOM 0 HZ3 LYS A 695 -4.968 -10.649 0.818 1.00 2.49 H new ATOM 1246 N GLU A 696 -2.651 -7.199 7.026 1.00 0.34 N ATOM 1247 CA GLU A 696 -3.346 -6.454 8.068 1.00 0.43 C ATOM 1248 C GLU A 696 -3.394 -4.974 7.714 1.00 0.36 C ATOM 1249 O GLU A 696 -4.415 -4.306 7.905 1.00 0.39 O ATOM 1250 CB GLU A 696 -2.650 -6.650 9.413 1.00 0.55 C ATOM 1251 CG GLU A 696 -2.608 -8.099 9.860 1.00 1.22 C ATOM 1252 CD GLU A 696 -1.876 -8.287 11.170 1.00 1.97 C ATOM 1253 OE1 GLU A 696 -2.523 -8.187 12.234 1.00 2.45 O ATOM 1254 OE2 GLU A 696 -0.656 -8.555 11.139 1.00 2.62 O ATOM 0 H GLU A 696 -1.742 -7.569 7.304 1.00 0.34 H new ATOM 0 HA GLU A 696 -4.366 -6.830 8.144 1.00 0.43 H new ATOM 0 HB2 GLU A 696 -1.631 -6.268 9.347 1.00 0.55 H new ATOM 0 HB3 GLU A 696 -3.164 -6.058 10.170 1.00 0.55 H new ATOM 0 HG2 GLU A 696 -3.627 -8.473 9.961 1.00 1.22 H new ATOM 0 HG3 GLU A 696 -2.124 -8.698 9.089 1.00 1.22 H new ATOM 1261 N PHE A 697 -2.279 -4.476 7.190 1.00 0.31 N ATOM 1262 CA PHE A 697 -2.174 -3.093 6.748 1.00 0.31 C ATOM 1263 C PHE A 697 -3.176 -2.811 5.633 1.00 0.27 C ATOM 1264 O PHE A 697 -3.959 -1.863 5.710 1.00 0.30 O ATOM 1265 CB PHE A 697 -0.741 -2.810 6.271 1.00 0.37 C ATOM 1266 CG PHE A 697 -0.530 -1.423 5.722 1.00 0.36 C ATOM 1267 CD1 PHE A 697 -0.218 -0.366 6.561 1.00 0.52 C ATOM 1268 CD2 PHE A 697 -0.635 -1.182 4.362 1.00 0.30 C ATOM 1269 CE1 PHE A 697 -0.018 0.903 6.052 1.00 0.59 C ATOM 1270 CE2 PHE A 697 -0.437 0.084 3.849 1.00 0.34 C ATOM 1271 CZ PHE A 697 -0.128 1.129 4.694 1.00 0.49 C ATOM 0 H PHE A 697 -1.426 -5.019 7.061 1.00 0.31 H new ATOM 0 HA PHE A 697 -2.405 -2.434 7.585 1.00 0.31 H new ATOM 0 HB2 PHE A 697 -0.056 -2.966 7.105 1.00 0.37 H new ATOM 0 HB3 PHE A 697 -0.477 -3.536 5.502 1.00 0.37 H new ATOM 0 HD1 PHE A 697 -0.130 -0.535 7.624 1.00 0.52 H new ATOM 0 HD2 PHE A 697 -0.875 -1.996 3.694 1.00 0.30 H new ATOM 0 HE1 PHE A 697 0.225 1.719 6.717 1.00 0.59 H new ATOM 0 HE2 PHE A 697 -0.524 0.256 2.786 1.00 0.34 H new ATOM 0 HZ PHE A 697 0.027 2.121 4.295 1.00 0.49 H new ATOM 1281 N ILE A 698 -3.160 -3.658 4.608 1.00 0.24 N ATOM 1282 CA ILE A 698 -4.023 -3.476 3.450 1.00 0.24 C ATOM 1283 C ILE A 698 -5.498 -3.622 3.834 1.00 0.25 C ATOM 1284 O ILE A 698 -6.351 -2.906 3.317 1.00 0.29 O ATOM 1285 CB ILE A 698 -3.650 -4.441 2.305 1.00 0.26 C ATOM 1286 CG1 ILE A 698 -4.252 -3.949 0.997 1.00 0.38 C ATOM 1287 CG2 ILE A 698 -4.106 -5.864 2.594 1.00 0.31 C ATOM 1288 CD1 ILE A 698 -3.618 -4.580 -0.214 1.00 1.25 C ATOM 0 H ILE A 698 -2.556 -4.479 4.558 1.00 0.24 H new ATOM 0 HA ILE A 698 -3.868 -2.461 3.085 1.00 0.24 H new ATOM 0 HB ILE A 698 -2.563 -4.457 2.221 1.00 0.26 H new ATOM 0 HG12 ILE A 698 -5.321 -4.161 0.993 1.00 0.38 H new ATOM 0 HG13 ILE A 698 -4.141 -2.866 0.936 1.00 0.38 H new ATOM 0 HG21 ILE A 698 -3.824 -6.512 1.764 1.00 0.31 H new ATOM 0 HG22 ILE A 698 -3.632 -6.219 3.509 1.00 0.31 H new ATOM 0 HG23 ILE A 698 -5.189 -5.881 2.717 1.00 0.31 H new ATOM 0 HD11 ILE A 698 -4.089 -4.190 -1.116 1.00 1.25 H new ATOM 0 HD12 ILE A 698 -2.553 -4.347 -0.231 1.00 1.25 H new ATOM 0 HD13 ILE A 698 -3.752 -5.661 -0.173 1.00 1.25 H new ATOM 1300 N ASN A 699 -5.786 -4.534 4.759 1.00 0.26 N ATOM 1301 CA ASN A 699 -7.148 -4.734 5.250 1.00 0.31 C ATOM 1302 C ASN A 699 -7.713 -3.441 5.833 1.00 0.33 C ATOM 1303 O ASN A 699 -8.808 -3.009 5.471 1.00 0.37 O ATOM 1304 CB ASN A 699 -7.164 -5.839 6.313 1.00 0.35 C ATOM 1305 CG ASN A 699 -8.422 -5.831 7.161 1.00 0.42 C ATOM 1306 OD1 ASN A 699 -9.428 -6.449 6.814 1.00 0.49 O ATOM 1307 ND2 ASN A 699 -8.361 -5.134 8.286 1.00 0.47 N ATOM 0 H ASN A 699 -5.092 -5.148 5.185 1.00 0.26 H new ATOM 0 HA ASN A 699 -7.775 -5.033 4.410 1.00 0.31 H new ATOM 0 HB2 ASN A 699 -7.070 -6.808 5.823 1.00 0.35 H new ATOM 0 HB3 ASN A 699 -6.295 -5.724 6.961 1.00 0.35 H new ATOM 0 HD21 ASN A 699 -9.170 -5.094 8.906 1.00 0.47 H new ATOM 0 HD22 ASN A 699 -7.505 -4.637 8.532 1.00 0.47 H new ATOM 1314 N SER A 700 -6.946 -2.821 6.720 1.00 0.34 N ATOM 1315 CA SER A 700 -7.354 -1.574 7.351 1.00 0.39 C ATOM 1316 C SER A 700 -7.370 -0.437 6.330 1.00 0.38 C ATOM 1317 O SER A 700 -8.198 0.472 6.411 1.00 0.45 O ATOM 1318 CB SER A 700 -6.408 -1.248 8.506 1.00 0.44 C ATOM 1319 OG SER A 700 -6.861 -0.137 9.262 1.00 1.42 O ATOM 0 H SER A 700 -6.033 -3.164 7.020 1.00 0.34 H new ATOM 0 HA SER A 700 -8.364 -1.689 7.744 1.00 0.39 H new ATOM 0 HB2 SER A 700 -6.317 -2.117 9.157 1.00 0.44 H new ATOM 0 HB3 SER A 700 -5.413 -1.038 8.113 1.00 0.44 H new ATOM 0 HG SER A 700 -6.232 0.040 9.992 1.00 1.42 H new ATOM 1325 N TYR A 701 -6.447 -0.494 5.374 1.00 0.33 N ATOM 1326 CA TYR A 701 -6.392 0.488 4.296 1.00 0.36 C ATOM 1327 C TYR A 701 -7.692 0.455 3.494 1.00 0.35 C ATOM 1328 O TYR A 701 -8.312 1.487 3.247 1.00 0.42 O ATOM 1329 CB TYR A 701 -5.197 0.187 3.376 1.00 0.38 C ATOM 1330 CG TYR A 701 -4.910 1.263 2.347 1.00 0.45 C ATOM 1331 CD1 TYR A 701 -5.857 1.612 1.392 1.00 1.37 C ATOM 1332 CD2 TYR A 701 -3.692 1.932 2.334 1.00 0.95 C ATOM 1333 CE1 TYR A 701 -5.607 2.597 0.464 1.00 1.43 C ATOM 1334 CE2 TYR A 701 -3.431 2.916 1.401 1.00 0.98 C ATOM 1335 CZ TYR A 701 -4.397 3.245 0.469 1.00 0.65 C ATOM 1336 OH TYR A 701 -4.163 4.238 -0.453 1.00 0.75 O ATOM 0 H TYR A 701 -5.725 -1.213 5.324 1.00 0.33 H new ATOM 0 HA TYR A 701 -6.267 1.482 4.725 1.00 0.36 H new ATOM 0 HB2 TYR A 701 -4.308 0.043 3.991 1.00 0.38 H new ATOM 0 HB3 TYR A 701 -5.381 -0.754 2.858 1.00 0.38 H new ATOM 0 HD1 TYR A 701 -6.808 1.100 1.378 1.00 1.37 H new ATOM 0 HD2 TYR A 701 -2.938 1.678 3.065 1.00 0.95 H new ATOM 0 HE1 TYR A 701 -6.360 2.859 -0.265 1.00 1.43 H new ATOM 0 HE2 TYR A 701 -2.478 3.425 1.400 1.00 0.98 H new ATOM 0 HH TYR A 701 -3.824 5.036 0.004 1.00 0.75 H new ATOM 1346 N MET A 702 -8.100 -0.743 3.103 1.00 0.31 N ATOM 1347 CA MET A 702 -9.312 -0.928 2.316 1.00 0.36 C ATOM 1348 C MET A 702 -10.537 -0.483 3.098 1.00 0.42 C ATOM 1349 O MET A 702 -11.421 0.184 2.559 1.00 0.48 O ATOM 1350 CB MET A 702 -9.445 -2.390 1.912 1.00 0.44 C ATOM 1351 CG MET A 702 -8.319 -2.852 1.011 1.00 0.56 C ATOM 1352 SD MET A 702 -8.381 -4.612 0.670 1.00 0.87 S ATOM 1353 CE MET A 702 -7.199 -4.719 -0.671 1.00 1.08 C ATOM 0 H MET A 702 -7.606 -1.608 3.320 1.00 0.31 H new ATOM 0 HA MET A 702 -9.242 -0.313 1.418 1.00 0.36 H new ATOM 0 HB2 MET A 702 -9.465 -3.010 2.808 1.00 0.44 H new ATOM 0 HB3 MET A 702 -10.397 -2.536 1.401 1.00 0.44 H new ATOM 0 HG2 MET A 702 -8.363 -2.302 0.071 1.00 0.56 H new ATOM 0 HG3 MET A 702 -7.364 -2.610 1.477 1.00 0.56 H new ATOM 0 HE1 MET A 702 -6.619 -5.637 -0.572 1.00 1.08 H new ATOM 0 HE2 MET A 702 -7.729 -4.725 -1.623 1.00 1.08 H new ATOM 0 HE3 MET A 702 -6.529 -3.860 -0.634 1.00 1.08 H new ATOM 1363 N ASP A 703 -10.563 -0.846 4.375 1.00 0.46 N ATOM 1364 CA ASP A 703 -11.634 -0.440 5.284 1.00 0.59 C ATOM 1365 C ASP A 703 -11.777 1.078 5.297 1.00 0.64 C ATOM 1366 O ASP A 703 -12.881 1.618 5.360 1.00 0.77 O ATOM 1367 CB ASP A 703 -11.321 -0.937 6.699 1.00 0.66 C ATOM 1368 CG ASP A 703 -12.352 -0.495 7.721 1.00 0.93 C ATOM 1369 OD1 ASP A 703 -13.422 -1.127 7.809 1.00 1.11 O ATOM 1370 OD2 ASP A 703 -12.078 0.475 8.461 1.00 1.06 O ATOM 0 H ASP A 703 -9.847 -1.427 4.810 1.00 0.46 H new ATOM 0 HA ASP A 703 -12.571 -0.877 4.939 1.00 0.59 H new ATOM 0 HB2 ASP A 703 -11.266 -2.026 6.693 1.00 0.66 H new ATOM 0 HB3 ASP A 703 -10.339 -0.570 6.999 1.00 0.66 H new ATOM 1375 N LYS A 704 -10.640 1.749 5.202 1.00 0.58 N ATOM 1376 CA LYS A 704 -10.572 3.201 5.254 1.00 0.66 C ATOM 1377 C LYS A 704 -11.273 3.835 4.050 1.00 0.66 C ATOM 1378 O LYS A 704 -11.925 4.873 4.178 1.00 0.76 O ATOM 1379 CB LYS A 704 -9.100 3.624 5.304 1.00 0.69 C ATOM 1380 CG LYS A 704 -8.864 5.093 5.602 1.00 1.15 C ATOM 1381 CD LYS A 704 -7.377 5.389 5.699 1.00 1.49 C ATOM 1382 CE LYS A 704 -7.106 6.811 6.161 1.00 2.15 C ATOM 1383 NZ LYS A 704 -7.613 7.825 5.198 1.00 2.95 N ATOM 0 H LYS A 704 -9.732 1.298 5.086 1.00 0.58 H new ATOM 0 HA LYS A 704 -11.088 3.550 6.148 1.00 0.66 H new ATOM 0 HB2 LYS A 704 -8.592 3.029 6.063 1.00 0.69 H new ATOM 0 HB3 LYS A 704 -8.636 3.384 4.347 1.00 0.69 H new ATOM 0 HG2 LYS A 704 -9.311 5.705 4.818 1.00 1.15 H new ATOM 0 HG3 LYS A 704 -9.355 5.363 6.537 1.00 1.15 H new ATOM 0 HD2 LYS A 704 -6.913 4.688 6.393 1.00 1.49 H new ATOM 0 HD3 LYS A 704 -6.912 5.230 4.726 1.00 1.49 H new ATOM 0 HE2 LYS A 704 -7.574 6.970 7.132 1.00 2.15 H new ATOM 0 HE3 LYS A 704 -6.033 6.948 6.298 1.00 2.15 H new ATOM 0 HZ1 LYS A 704 -7.375 8.778 5.540 1.00 2.95 H new ATOM 0 HZ2 LYS A 704 -7.174 7.671 4.268 1.00 2.95 H new ATOM 0 HZ3 LYS A 704 -8.646 7.736 5.112 1.00 2.95 H new ATOM 1397 N ILE A 705 -11.154 3.202 2.886 1.00 0.58 N ATOM 1398 CA ILE A 705 -11.713 3.753 1.665 1.00 0.64 C ATOM 1399 C ILE A 705 -13.197 3.423 1.571 1.00 0.70 C ATOM 1400 O ILE A 705 -14.008 4.246 1.139 1.00 0.83 O ATOM 1401 CB ILE A 705 -10.992 3.211 0.412 1.00 0.60 C ATOM 1402 CG1 ILE A 705 -9.475 3.167 0.634 1.00 0.60 C ATOM 1403 CG2 ILE A 705 -11.324 4.075 -0.798 1.00 0.68 C ATOM 1404 CD1 ILE A 705 -8.851 4.520 0.915 1.00 0.66 C ATOM 0 H ILE A 705 -10.676 2.309 2.767 1.00 0.58 H new ATOM 0 HA ILE A 705 -11.574 4.833 1.702 1.00 0.64 H new ATOM 0 HB ILE A 705 -11.340 2.195 0.227 1.00 0.60 H new ATOM 0 HG12 ILE A 705 -9.260 2.499 1.468 1.00 0.60 H new ATOM 0 HG13 ILE A 705 -9.002 2.737 -0.249 1.00 0.60 H new ATOM 0 HG21 ILE A 705 -10.810 3.684 -1.676 1.00 0.68 H new ATOM 0 HG22 ILE A 705 -12.400 4.061 -0.971 1.00 0.68 H new ATOM 0 HG23 ILE A 705 -10.999 5.099 -0.614 1.00 0.68 H new ATOM 0 HD11 ILE A 705 -7.777 4.402 1.060 1.00 0.66 H new ATOM 0 HD12 ILE A 705 -9.032 5.186 0.072 1.00 0.66 H new ATOM 0 HD13 ILE A 705 -9.294 4.945 1.815 1.00 0.66 H new ATOM 1416 N ILE A 706 -13.546 2.217 2.003 1.00 0.67 N ATOM 1417 CA ILE A 706 -14.923 1.756 1.944 1.00 0.79 C ATOM 1418 C ILE A 706 -15.785 2.542 2.922 1.00 0.99 C ATOM 1419 O ILE A 706 -16.889 2.967 2.588 1.00 1.17 O ATOM 1420 CB ILE A 706 -15.031 0.245 2.252 1.00 0.83 C ATOM 1421 CG1 ILE A 706 -14.226 -0.558 1.226 1.00 1.18 C ATOM 1422 CG2 ILE A 706 -16.489 -0.202 2.257 1.00 1.43 C ATOM 1423 CD1 ILE A 706 -14.207 -2.046 1.492 1.00 1.75 C ATOM 0 H ILE A 706 -12.892 1.542 2.398 1.00 0.67 H new ATOM 0 HA ILE A 706 -15.282 1.922 0.928 1.00 0.79 H new ATOM 0 HB ILE A 706 -14.618 0.062 3.244 1.00 0.83 H new ATOM 0 HG12 ILE A 706 -14.641 -0.381 0.234 1.00 1.18 H new ATOM 0 HG13 ILE A 706 -13.201 -0.188 1.213 1.00 1.18 H new ATOM 0 HG21 ILE A 706 -16.542 -1.269 2.476 1.00 1.43 H new ATOM 0 HG22 ILE A 706 -17.037 0.352 3.019 1.00 1.43 H new ATOM 0 HG23 ILE A 706 -16.932 -0.010 1.280 1.00 1.43 H new ATOM 0 HD11 ILE A 706 -13.618 -2.546 0.723 1.00 1.75 H new ATOM 0 HD12 ILE A 706 -13.763 -2.235 2.470 1.00 1.75 H new ATOM 0 HD13 ILE A 706 -15.226 -2.432 1.475 1.00 1.75 H new