USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 746 hydrogens (6 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 NoAdj-H: B 584 TPO H2 : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD Set 1.1: A 468 MET CE :methyl -172:sc= -12.6! (180deg=-12.6!) USER MOD Set 1.2: A 514 SER OG : rot 124:sc= -2.63 USER MOD Set 2.1: A 470 THR OG1 : rot 130:sc= 0.964 USER MOD Set 2.2: A 471 LYS NZ :NH3+ -108:sc= 0.753 (180deg=-1.19) USER MOD Set 3.1: A 469 THR OG1 : rot -79:sc= -2.24 USER MOD Set 3.2: A 512 HIS : no HE2:sc= -8.73! C(o=-11!,f=-14!) USER MOD Set 4.1: A 462 TYR OH : rot -171:sc= 1.37 USER MOD Set 4.2: A 476 LYS NZ :NH3+ -130:sc= 1.32 (180deg=0.317) USER MOD Single : A 453 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 464 THR OG1 : rot -90:sc= -0.841 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN :FLIP amide:sc= -1.58 F(o=-2.3,f=-1.6) USER MOD Single : A 479 THR OG1 : rot -44:sc= 1.24 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ -157:sc= -0.261 (180deg=-0.923) USER MOD Single : A 482 THR OG1 : rot -89:sc= 1.22 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 489 THR OG1 : rot 99:sc= 0.774 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= -5.12! C(o=-5.1!,f=-6.6!) USER MOD Single : A 498 LYS NZ :NH3+ 154:sc= -3.17! (180deg=-4.01!) USER MOD Single : A 501 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.9!) USER MOD Single : A 505 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.102) USER MOD Single : A 506 MET CE :methyl 166:sc= -2.81! (180deg=-3.11!) USER MOD Single : A 508 ASN : amide:sc= 0.0256 X(o=0.026,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 138:sc= -0.711 (180deg=-1.03) USER MOD Single : A 511 MET CE :methyl 157:sc= -5.24! (180deg=-7.5!) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -6.32! C(o=-7.4!,f=-6.3!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU B 582 -1.375 -5.193 25.028 1.00 0.00 N ATOM 2 CA GLU B 582 -1.852 -5.808 23.761 1.00 0.00 C ATOM 3 C GLU B 582 -0.798 -5.698 22.664 1.00 0.00 C ATOM 4 O GLU B 582 -0.487 -4.604 22.195 1.00 0.00 O ATOM 5 CB GLU B 582 -3.138 -5.099 23.330 1.00 0.00 C ATOM 6 CG GLU B 582 -4.103 -5.997 22.575 1.00 0.00 C ATOM 7 CD GLU B 582 -5.028 -5.219 21.660 1.00 0.00 C ATOM 8 OE1 GLU B 582 -5.606 -4.210 22.118 1.00 0.00 O ATOM 9 OE2 GLU B 582 -5.176 -5.618 20.486 1.00 0.00 O ATOM 0 HA GLU B 582 -2.044 -6.868 23.927 1.00 0.00 H new ATOM 0 HB2 GLU B 582 -3.639 -4.703 24.214 1.00 0.00 H new ATOM 0 HB3 GLU B 582 -2.880 -4.247 22.701 1.00 0.00 H new ATOM 0 HG2 GLU B 582 -3.537 -6.718 21.986 1.00 0.00 H new ATOM 0 HG3 GLU B 582 -4.698 -6.566 23.289 1.00 0.00 H new ATOM 18 N ASP B 583 -0.252 -6.841 22.261 1.00 0.00 N ATOM 19 CA ASP B 583 0.768 -6.874 21.219 1.00 0.00 C ATOM 20 C ASP B 583 0.228 -6.306 19.910 1.00 0.00 C ATOM 21 O ASP B 583 -0.264 -7.046 19.058 1.00 0.00 O ATOM 22 CB ASP B 583 1.260 -8.306 21.003 1.00 0.00 C ATOM 23 CG ASP B 583 2.266 -8.737 22.052 1.00 0.00 C ATOM 24 OD1 ASP B 583 3.460 -8.404 21.901 1.00 0.00 O ATOM 25 OD2 ASP B 583 1.861 -9.407 23.024 1.00 0.00 O ATOM 0 H ASP B 583 -0.498 -7.755 22.640 1.00 0.00 H new ATOM 0 HA ASP B 583 1.604 -6.255 21.544 1.00 0.00 H new ATOM 0 HB2 ASP B 583 0.408 -8.986 21.020 1.00 0.00 H new ATOM 0 HB3 ASP B 583 1.713 -8.386 20.015 1.00 0.00 H new HETATM 30 N TPO B 584 0.323 -4.989 19.758 1.00 0.00 N HETATM 31 CA TPO B 584 -0.156 -4.323 18.553 1.00 0.00 C HETATM 32 CB TPO B 584 -0.613 -2.898 18.878 1.00 0.00 C HETATM 33 CG2 TPO B 584 -0.948 -2.075 17.647 1.00 0.00 C HETATM 34 OG1 TPO B 584 -1.763 -2.957 19.724 1.00 0.00 O HETATM 35 P TPO B 584 -1.825 -1.570 20.540 1.00 0.00 P HETATM 36 O1P TPO B 584 -2.945 -1.616 21.508 1.00 0.00 O HETATM 37 O2P TPO B 584 -0.441 -1.352 21.333 1.00 0.00 O HETATM 38 O3P TPO B 584 -2.054 -0.350 19.515 1.00 0.00 O HETATM 39 C TPO B 584 0.942 -4.282 17.492 1.00 0.00 C HETATM 40 O TPO B 584 1.493 -3.221 17.198 1.00 0.00 O HETATM 0 HG23 TPO B 584 -0.067 -1.998 17.010 1.00 0.00 H new HETATM 0 HG22 TPO B 584 -1.754 -2.558 17.095 1.00 0.00 H new HETATM 0 HG21 TPO B 584 -1.264 -1.077 17.951 1.00 0.00 H new HETATM 0 HB TPO B 584 0.223 -2.404 19.373 1.00 0.00 H new HETATM 0 HA TPO B 584 -1.003 -4.889 18.164 1.00 0.00 H new HETATM 0 H TPO B 584 0.317 -4.495 20.650 1.00 0.00 H new ATOM 47 N ASP B 585 1.254 -5.437 16.915 1.00 0.00 N ATOM 48 CA ASP B 585 2.279 -5.512 15.889 1.00 0.00 C ATOM 49 C ASP B 585 1.672 -5.307 14.504 1.00 0.00 C ATOM 50 O ASP B 585 1.928 -6.079 13.580 1.00 0.00 O ATOM 51 CB ASP B 585 2.993 -6.864 15.958 1.00 0.00 C ATOM 52 CG ASP B 585 4.228 -6.914 15.080 1.00 0.00 C ATOM 53 OD1 ASP B 585 4.096 -7.257 13.888 1.00 0.00 O ATOM 54 OD2 ASP B 585 5.329 -6.612 15.588 1.00 0.00 O ATOM 0 H ASP B 585 0.813 -6.328 17.141 1.00 0.00 H new ATOM 0 HA ASP B 585 3.004 -4.718 16.067 1.00 0.00 H new ATOM 0 HB2 ASP B 585 3.277 -7.069 16.990 1.00 0.00 H new ATOM 0 HB3 ASP B 585 2.303 -7.651 15.654 1.00 0.00 H new ATOM 59 N GLU B 586 0.873 -4.252 14.368 1.00 0.00 N ATOM 60 CA GLU B 586 0.234 -3.928 13.104 1.00 0.00 C ATOM 61 C GLU B 586 1.153 -3.078 12.234 1.00 0.00 C ATOM 62 O GLU B 586 1.225 -3.257 11.020 1.00 0.00 O ATOM 63 CB GLU B 586 -1.086 -3.194 13.347 1.00 0.00 C ATOM 64 CG GLU B 586 -0.915 -1.820 13.974 1.00 0.00 C ATOM 65 CD GLU B 586 -0.647 -0.739 12.946 1.00 0.00 C ATOM 66 OE1 GLU B 586 -1.010 -0.937 11.767 1.00 0.00 O ATOM 67 OE2 GLU B 586 -0.073 0.306 13.319 1.00 0.00 O ATOM 0 H GLU B 586 0.654 -3.605 15.126 1.00 0.00 H new ATOM 0 HA GLU B 586 0.028 -4.861 12.579 1.00 0.00 H new ATOM 0 HB2 GLU B 586 -1.612 -3.088 12.398 1.00 0.00 H new ATOM 0 HB3 GLU B 586 -1.716 -3.803 13.995 1.00 0.00 H new ATOM 0 HG2 GLU B 586 -1.814 -1.567 14.536 1.00 0.00 H new ATOM 0 HG3 GLU B 586 -0.091 -1.850 14.687 1.00 0.00 H new ATOM 74 N ASP B 587 1.839 -2.136 12.869 1.00 0.00 N ATOM 75 CA ASP B 587 2.743 -1.238 12.171 1.00 0.00 C ATOM 76 C ASP B 587 4.125 -1.860 11.982 1.00 0.00 C ATOM 77 O ASP B 587 4.879 -1.460 11.095 1.00 0.00 O ATOM 78 CB ASP B 587 2.862 0.078 12.940 1.00 0.00 C ATOM 79 CG ASP B 587 2.618 1.287 12.058 1.00 0.00 C ATOM 80 OD1 ASP B 587 1.460 1.492 11.638 1.00 0.00 O ATOM 81 OD2 ASP B 587 3.586 2.030 11.789 1.00 0.00 O ATOM 0 H ASP B 587 1.784 -1.976 13.875 1.00 0.00 H new ATOM 0 HA ASP B 587 2.328 -1.048 11.181 1.00 0.00 H new ATOM 0 HB2 ASP B 587 2.146 0.081 13.762 1.00 0.00 H new ATOM 0 HB3 ASP B 587 3.856 0.149 13.382 1.00 0.00 H new ATOM 86 N ASP B 588 4.454 -2.831 12.825 1.00 0.00 N ATOM 87 CA ASP B 588 5.749 -3.499 12.760 1.00 0.00 C ATOM 88 C ASP B 588 6.036 -4.037 11.366 1.00 0.00 C ATOM 89 O ASP B 588 7.064 -3.725 10.765 1.00 0.00 O ATOM 90 CB ASP B 588 5.806 -4.628 13.773 1.00 0.00 C ATOM 91 CG ASP B 588 7.226 -5.003 14.149 1.00 0.00 C ATOM 92 OD1 ASP B 588 8.065 -5.144 13.234 1.00 0.00 O ATOM 93 OD2 ASP B 588 7.500 -5.155 15.358 1.00 0.00 O ATOM 0 H ASP B 588 3.840 -3.175 13.564 1.00 0.00 H new ATOM 0 HA ASP B 588 6.514 -2.760 12.996 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.262 -4.334 14.671 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.299 -5.503 13.366 1.00 0.00 H new ATOM 98 N HIS B 589 5.123 -4.847 10.864 1.00 0.00 N ATOM 99 CA HIS B 589 5.262 -5.439 9.547 1.00 0.00 C ATOM 100 C HIS B 589 4.937 -4.432 8.449 1.00 0.00 C ATOM 101 O HIS B 589 5.357 -4.586 7.303 1.00 0.00 O ATOM 102 CB HIS B 589 4.351 -6.660 9.427 1.00 0.00 C ATOM 103 CG HIS B 589 2.966 -6.443 9.953 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.084 -5.437 9.744 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.337 -7.331 10.801 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 0.951 -5.734 10.460 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.129 -6.881 11.088 1.00 0.00 N flip ATOM 0 H HIS B 589 4.269 -5.112 11.354 1.00 0.00 H new ATOM 0 HA HIS B 589 6.300 -5.748 9.422 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.288 -6.952 8.379 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.805 -7.493 9.963 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.765 -8.250 11.172 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.059 -5.127 10.502 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.449 -7.342 11.693 1.00 0.00 H new ATOM 116 N LEU B 590 4.186 -3.403 8.813 1.00 0.00 N ATOM 117 CA LEU B 590 3.791 -2.364 7.873 1.00 0.00 C ATOM 118 C LEU B 590 5.005 -1.648 7.286 1.00 0.00 C ATOM 119 O LEU B 590 4.952 -1.132 6.171 1.00 0.00 O ATOM 120 CB LEU B 590 2.879 -1.355 8.575 1.00 0.00 C ATOM 121 CG LEU B 590 2.610 -0.066 7.799 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.711 -0.344 6.606 1.00 0.00 C ATOM 123 CD2 LEU B 590 1.990 0.981 8.710 1.00 0.00 C ATOM 0 H LEU B 590 3.835 -3.265 9.761 1.00 0.00 H new ATOM 0 HA LEU B 590 3.254 -2.837 7.051 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.925 -1.838 8.786 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.324 -1.095 9.535 1.00 0.00 H new ATOM 0 HG LEU B 590 3.558 0.323 7.428 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.529 0.584 6.064 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.196 -1.062 5.944 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.762 -0.754 6.953 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.804 1.893 8.143 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.048 0.604 9.109 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.672 1.198 9.532 1.00 0.00 H new ATOM 135 N ILE B 591 6.084 -1.582 8.053 1.00 0.00 N ATOM 136 CA ILE B 591 7.282 -0.896 7.606 1.00 0.00 C ATOM 137 C ILE B 591 8.206 -1.787 6.765 1.00 0.00 C ATOM 138 O ILE B 591 8.869 -1.297 5.852 1.00 0.00 O ATOM 139 CB ILE B 591 8.062 -0.304 8.798 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.214 0.767 9.490 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.391 0.283 8.341 1.00 0.00 C ATOM 142 CD1 ILE B 591 7.869 1.355 10.721 1.00 0.00 C ATOM 0 H ILE B 591 6.152 -1.994 8.984 1.00 0.00 H new ATOM 0 HA ILE B 591 6.941 -0.086 6.962 1.00 0.00 H new ATOM 0 HB ILE B 591 8.275 -1.104 9.507 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.006 1.568 8.781 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.254 0.333 9.771 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.922 0.694 9.200 1.00 0.00 H new ATOM 0 HG22 ILE B 591 9.995 -0.499 7.881 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.208 1.075 7.614 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.212 2.106 11.159 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.052 0.564 11.449 1.00 0.00 H new ATOM 0 HD13 ILE B 591 8.816 1.819 10.443 1.00 0.00 H new ATOM 154 N TYR B 592 8.274 -3.084 7.074 1.00 0.00 N ATOM 155 CA TYR B 592 9.157 -3.979 6.322 1.00 0.00 C ATOM 156 C TYR B 592 8.640 -4.248 4.918 1.00 0.00 C ATOM 157 O TYR B 592 9.416 -4.284 3.965 1.00 0.00 O ATOM 158 CB TYR B 592 9.428 -5.296 7.083 1.00 0.00 C ATOM 159 CG TYR B 592 8.332 -6.346 7.002 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.876 -6.830 5.782 1.00 0.00 C ATOM 161 CD2 TYR B 592 7.754 -6.854 8.157 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.879 -7.777 5.714 1.00 0.00 C ATOM 163 CE2 TYR B 592 6.756 -7.808 8.099 1.00 0.00 C ATOM 164 CZ TYR B 592 6.322 -8.267 6.875 1.00 0.00 C ATOM 165 OH TYR B 592 5.326 -9.214 6.812 1.00 0.00 O ATOM 0 H TYR B 592 7.742 -3.530 7.821 1.00 0.00 H new ATOM 0 HA TYR B 592 10.110 -3.459 6.220 1.00 0.00 H new ATOM 0 HB2 TYR B 592 10.351 -5.731 6.700 1.00 0.00 H new ATOM 0 HB3 TYR B 592 9.600 -5.058 8.133 1.00 0.00 H new ATOM 0 HD1 TYR B 592 8.313 -6.456 4.868 1.00 0.00 H new ATOM 0 HD2 TYR B 592 8.091 -6.497 9.119 1.00 0.00 H new ATOM 0 HE1 TYR B 592 6.535 -8.134 4.755 1.00 0.00 H new ATOM 0 HE2 TYR B 592 6.319 -8.192 9.009 1.00 0.00 H new ATOM 0 HH TYR B 592 5.044 -9.453 7.720 1.00 0.00 H new ATOM 175 N LEU B 593 7.339 -4.440 4.783 1.00 0.00 N ATOM 176 CA LEU B 593 6.762 -4.709 3.472 1.00 0.00 C ATOM 177 C LEU B 593 6.901 -3.488 2.575 1.00 0.00 C ATOM 178 O LEU B 593 6.803 -3.583 1.354 1.00 0.00 O ATOM 179 CB LEU B 593 5.297 -5.172 3.582 1.00 0.00 C ATOM 180 CG LEU B 593 4.213 -4.092 3.482 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.420 -3.034 4.544 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.172 -3.473 2.093 1.00 0.00 C ATOM 0 H LEU B 593 6.668 -4.416 5.551 1.00 0.00 H new ATOM 0 HA LEU B 593 7.316 -5.529 3.016 1.00 0.00 H new ATOM 0 HB2 LEU B 593 5.115 -5.907 2.798 1.00 0.00 H new ATOM 0 HB3 LEU B 593 5.175 -5.686 4.536 1.00 0.00 H new ATOM 0 HG LEU B 593 3.247 -4.567 3.655 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.642 -2.275 4.458 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.371 -3.494 5.531 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.396 -2.569 4.409 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.393 -2.712 2.057 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.136 -3.016 1.870 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.958 -4.247 1.356 1.00 0.00 H new ATOM 194 N GLU B 594 7.133 -2.337 3.185 1.00 0.00 N ATOM 195 CA GLU B 594 7.291 -1.113 2.429 1.00 0.00 C ATOM 196 C GLU B 594 8.521 -1.195 1.523 1.00 0.00 C ATOM 197 O GLU B 594 8.560 -0.587 0.454 1.00 0.00 O ATOM 198 CB GLU B 594 7.389 0.092 3.375 1.00 0.00 C ATOM 199 CG GLU B 594 8.814 0.487 3.743 1.00 0.00 C ATOM 200 CD GLU B 594 8.884 1.311 5.016 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.829 1.506 5.657 1.00 0.00 O ATOM 202 OE2 GLU B 594 9.993 1.761 5.370 1.00 0.00 O ATOM 0 H GLU B 594 7.215 -2.228 4.196 1.00 0.00 H new ATOM 0 HA GLU B 594 6.413 -0.981 1.797 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.897 0.946 2.909 1.00 0.00 H new ATOM 0 HB3 GLU B 594 6.839 -0.133 4.289 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.416 -0.413 3.864 1.00 0.00 H new ATOM 0 HG3 GLU B 594 9.252 1.055 2.923 1.00 0.00 H new ATOM 209 N GLU B 595 9.526 -1.943 1.975 1.00 0.00 N ATOM 210 CA GLU B 595 10.773 -2.099 1.226 1.00 0.00 C ATOM 211 C GLU B 595 10.631 -3.087 0.074 1.00 0.00 C ATOM 212 O GLU B 595 11.035 -2.801 -1.054 1.00 0.00 O ATOM 213 CB GLU B 595 11.919 -2.510 2.164 1.00 0.00 C ATOM 214 CG GLU B 595 12.020 -4.006 2.430 1.00 0.00 C ATOM 215 CD GLU B 595 12.769 -4.743 1.337 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.919 -4.355 1.040 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.209 -5.710 0.781 1.00 0.00 O ATOM 0 H GLU B 595 9.501 -2.452 2.859 1.00 0.00 H new ATOM 0 HA GLU B 595 11.012 -1.130 0.787 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.861 -2.167 1.736 1.00 0.00 H new ATOM 0 HB3 GLU B 595 11.794 -1.993 3.116 1.00 0.00 H new ATOM 0 HG2 GLU B 595 12.523 -4.169 3.383 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.017 -4.423 2.523 1.00 0.00 H new ATOM 224 N ILE B 596 10.055 -4.244 0.357 1.00 0.00 N ATOM 225 CA ILE B 596 9.861 -5.270 -0.672 1.00 0.00 C ATOM 226 C ILE B 596 9.157 -4.691 -1.889 1.00 0.00 C ATOM 227 O ILE B 596 9.317 -5.175 -3.008 1.00 0.00 O ATOM 228 CB ILE B 596 9.062 -6.487 -0.156 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.852 -6.041 0.662 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.951 -7.395 0.674 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.599 -5.861 -0.163 1.00 0.00 C ATOM 0 H ILE B 596 9.713 -4.502 1.283 1.00 0.00 H new ATOM 0 HA ILE B 596 10.858 -5.614 -0.949 1.00 0.00 H new ATOM 0 HB ILE B 596 8.703 -7.044 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.660 -6.777 1.443 1.00 0.00 H new ATOM 0 HG13 ILE B 596 8.087 -5.101 1.161 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.371 -8.247 1.029 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.780 -7.750 0.062 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.341 -6.841 1.528 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.780 -5.544 0.483 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.772 -5.104 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.339 -6.806 -0.641 1.00 0.00 H new ATOM 243 N LEU B 597 8.384 -3.646 -1.653 1.00 0.00 N ATOM 244 CA LEU B 597 7.650 -2.977 -2.711 1.00 0.00 C ATOM 245 C LEU B 597 8.579 -2.233 -3.645 1.00 0.00 C ATOM 246 O LEU B 597 8.939 -2.721 -4.717 1.00 0.00 O ATOM 247 CB LEU B 597 6.653 -1.998 -2.097 1.00 0.00 C ATOM 248 CG LEU B 597 6.165 -0.885 -3.033 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.314 -1.457 -4.146 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.392 0.160 -2.250 1.00 0.00 C ATOM 0 H LEU B 597 8.248 -3.239 -0.728 1.00 0.00 H new ATOM 0 HA LEU B 597 7.124 -3.735 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.788 -2.559 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.112 -1.539 -1.222 1.00 0.00 H new ATOM 0 HG LEU B 597 7.034 -0.406 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU B 597 4.978 -0.651 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU B 597 5.902 -2.170 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.448 -1.963 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.052 0.944 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.530 -0.307 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.038 0.595 -1.487 1.00 0.00 H new ATOM 262 N VAL B 598 8.933 -1.034 -3.232 1.00 0.00 N ATOM 263 CA VAL B 598 9.782 -0.177 -4.016 1.00 0.00 C ATOM 264 C VAL B 598 10.715 0.617 -3.120 1.00 0.00 C ATOM 265 O VAL B 598 11.098 1.743 -3.438 1.00 0.00 O ATOM 266 CB VAL B 598 8.944 0.797 -4.867 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.049 0.046 -5.845 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.115 1.704 -3.972 1.00 0.00 C ATOM 0 H VAL B 598 8.638 -0.631 -2.343 1.00 0.00 H new ATOM 0 HA VAL B 598 10.371 -0.812 -4.678 1.00 0.00 H new ATOM 0 HB VAL B 598 9.630 1.413 -5.449 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.470 0.760 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.665 -0.557 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.371 -0.604 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL B 598 7.529 2.386 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.444 1.099 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL B 598 8.776 2.278 -3.323 1.00 0.00 H new ATOM 278 N ARG B 599 11.069 0.021 -1.993 1.00 0.00 N ATOM 279 CA ARG B 599 11.952 0.669 -1.039 1.00 0.00 C ATOM 280 C ARG B 599 12.992 -0.307 -0.498 1.00 0.00 C ATOM 281 O ARG B 599 13.329 -0.278 0.685 1.00 0.00 O ATOM 282 CB ARG B 599 11.145 1.273 0.114 1.00 0.00 C ATOM 283 CG ARG B 599 10.516 2.614 -0.223 1.00 0.00 C ATOM 284 CD ARG B 599 9.972 3.302 1.018 1.00 0.00 C ATOM 285 NE ARG B 599 11.029 3.950 1.792 1.00 0.00 N ATOM 286 CZ ARG B 599 10.843 4.484 2.997 1.00 0.00 C ATOM 287 NH1 ARG B 599 9.646 4.451 3.568 1.00 0.00 N ATOM 288 NH2 ARG B 599 11.859 5.053 3.632 1.00 0.00 N ATOM 0 H ARG B 599 10.758 -0.910 -1.717 1.00 0.00 H new ATOM 0 HA ARG B 599 12.476 1.470 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG B 599 10.359 0.574 0.402 1.00 0.00 H new ATOM 0 HB3 ARG B 599 11.797 1.394 0.979 1.00 0.00 H new ATOM 0 HG2 ARG B 599 11.257 3.255 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG B 599 9.710 2.468 -0.942 1.00 0.00 H new ATOM 0 HD2 ARG B 599 9.230 4.045 0.725 1.00 0.00 H new ATOM 0 HD3 ARG B 599 9.461 2.570 1.644 1.00 0.00 H new ATOM 0 HE ARG B 599 11.963 3.996 1.385 1.00 0.00 H new ATOM 0 HH11 ARG B 599 8.862 4.015 3.083 1.00 0.00 H new ATOM 0 HH12 ARG B 599 9.510 4.862 4.492 1.00 0.00 H new ATOM 0 HH21 ARG B 599 12.781 5.081 3.197 1.00 0.00 H new ATOM 0 HH22 ARG B 599 11.718 5.463 4.555 1.00 0.00 H new ATOM 302 N VAL B 600 13.497 -1.169 -1.374 1.00 0.00 N ATOM 303 CA VAL B 600 14.499 -2.153 -0.987 1.00 0.00 C ATOM 304 C VAL B 600 15.910 -1.603 -1.175 1.00 0.00 C ATOM 305 O VAL B 600 16.822 -2.051 -0.449 1.00 0.00 O ATOM 306 CB VAL B 600 14.350 -3.456 -1.798 1.00 0.00 C ATOM 307 CG1 VAL B 600 14.540 -3.188 -3.283 1.00 0.00 C ATOM 308 CG2 VAL B 600 15.332 -4.510 -1.308 1.00 0.00 C ATOM 309 OXT VAL B 600 16.092 -0.729 -2.049 1.00 0.00 O ATOM 0 H VAL B 600 13.228 -1.205 -2.357 1.00 0.00 H new ATOM 0 HA VAL B 600 14.337 -2.373 0.068 1.00 0.00 H new ATOM 0 HB VAL B 600 13.340 -3.839 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL B 600 14.431 -4.120 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL B 600 13.790 -2.474 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL B 600 15.535 -2.778 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL B 600 15.210 -5.421 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL B 600 16.351 -4.139 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL B 600 15.140 -4.726 -0.257 1.00 0.00 H new TER 319 VAL B 600 ATOM 320 N ASP A 451 -17.907 -6.742 -1.525 1.00 0.00 N ATOM 321 CA ASP A 451 -16.932 -6.118 -0.593 1.00 0.00 C ATOM 322 C ASP A 451 -15.613 -5.817 -1.296 1.00 0.00 C ATOM 323 O ASP A 451 -15.192 -6.551 -2.189 1.00 0.00 O ATOM 324 CB ASP A 451 -16.700 -7.073 0.580 1.00 0.00 C ATOM 325 CG ASP A 451 -16.249 -8.447 0.124 1.00 0.00 C ATOM 326 OD1 ASP A 451 -15.051 -8.604 -0.193 1.00 0.00 O ATOM 327 OD2 ASP A 451 -17.094 -9.366 0.083 1.00 0.00 O ATOM 0 HA ASP A 451 -17.335 -5.171 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -15.949 -6.650 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -17.621 -7.168 1.156 1.00 0.00 H new ATOM 334 N VAL A 452 -14.964 -4.731 -0.886 1.00 0.00 N ATOM 335 CA VAL A 452 -13.693 -4.332 -1.476 1.00 0.00 C ATOM 336 C VAL A 452 -12.633 -5.411 -1.277 1.00 0.00 C ATOM 337 O VAL A 452 -12.761 -6.263 -0.401 1.00 0.00 O ATOM 338 CB VAL A 452 -13.187 -3.004 -0.875 1.00 0.00 C ATOM 339 CG1 VAL A 452 -13.009 -3.130 0.631 1.00 0.00 C ATOM 340 CG2 VAL A 452 -11.888 -2.569 -1.542 1.00 0.00 C ATOM 0 H VAL A 452 -15.299 -4.112 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 452 -13.867 -4.193 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 452 -13.936 -2.236 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -12.652 -2.183 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -13.964 -3.383 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -12.283 -3.914 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -11.550 -1.631 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -11.127 -3.335 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -12.056 -2.430 -2.610 1.00 0.00 H new ATOM 350 N GLN A 453 -11.590 -5.371 -2.098 1.00 0.00 N ATOM 351 CA GLN A 453 -10.511 -6.348 -2.009 1.00 0.00 C ATOM 352 C GLN A 453 -9.223 -5.789 -2.601 1.00 0.00 C ATOM 353 O GLN A 453 -9.219 -5.244 -3.705 1.00 0.00 O ATOM 354 CB GLN A 453 -10.889 -7.648 -2.721 1.00 0.00 C ATOM 355 CG GLN A 453 -12.354 -7.740 -3.123 1.00 0.00 C ATOM 356 CD GLN A 453 -12.675 -9.024 -3.865 1.00 0.00 C ATOM 357 OE1 GLN A 453 -13.267 -8.999 -4.944 1.00 0.00 O ATOM 358 NE2 GLN A 453 -12.285 -10.154 -3.289 1.00 0.00 N ATOM 0 H GLN A 453 -11.468 -4.673 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 453 -10.347 -6.564 -0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -10.272 -7.752 -3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -10.650 -8.488 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -12.977 -7.675 -2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -12.609 -6.887 -3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -11.797 -10.128 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -12.473 -11.049 -3.742 1.00 0.00 H new ATOM 367 N VAL A 454 -8.128 -5.936 -1.863 1.00 0.00 N ATOM 368 CA VAL A 454 -6.830 -5.452 -2.317 1.00 0.00 C ATOM 369 C VAL A 454 -6.345 -6.262 -3.502 1.00 0.00 C ATOM 370 O VAL A 454 -5.980 -7.429 -3.363 1.00 0.00 O ATOM 371 CB VAL A 454 -5.784 -5.515 -1.191 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.388 -5.186 -1.713 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.183 -4.571 -0.077 1.00 0.00 C ATOM 0 H VAL A 454 -8.114 -6.386 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 454 -6.956 -4.412 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 454 -5.751 -6.532 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -3.671 -5.239 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.110 -5.903 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.384 -4.180 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.442 -4.616 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.238 -3.554 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.157 -4.863 0.316 1.00 0.00 H new ATOM 383 N THR A 455 -6.356 -5.644 -4.673 1.00 0.00 N ATOM 384 CA THR A 455 -5.928 -6.328 -5.874 1.00 0.00 C ATOM 385 C THR A 455 -4.948 -5.511 -6.687 1.00 0.00 C ATOM 386 O THR A 455 -4.896 -4.286 -6.591 1.00 0.00 O ATOM 387 CB THR A 455 -7.134 -6.681 -6.725 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.973 -5.552 -6.902 1.00 0.00 O ATOM 389 CG2 THR A 455 -7.958 -7.779 -6.101 1.00 0.00 C ATOM 0 H THR A 455 -6.654 -4.679 -4.813 1.00 0.00 H new ATOM 0 HA THR A 455 -5.413 -7.236 -5.562 1.00 0.00 H new ATOM 0 HB THR A 455 -6.746 -7.021 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.743 -5.800 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.812 -8.002 -6.741 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.346 -8.674 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.313 -7.456 -5.122 1.00 0.00 H new ATOM 397 N GLU A 456 -4.191 -6.219 -7.503 1.00 0.00 N ATOM 398 CA GLU A 456 -3.210 -5.614 -8.374 1.00 0.00 C ATOM 399 C GLU A 456 -3.827 -4.488 -9.188 1.00 0.00 C ATOM 400 O GLU A 456 -3.321 -3.367 -9.208 1.00 0.00 O ATOM 401 CB GLU A 456 -2.670 -6.685 -9.309 1.00 0.00 C ATOM 402 CG GLU A 456 -1.473 -7.436 -8.748 1.00 0.00 C ATOM 403 CD GLU A 456 -1.079 -8.619 -9.611 1.00 0.00 C ATOM 404 OE1 GLU A 456 -1.062 -8.470 -10.851 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.789 -9.695 -9.047 1.00 0.00 O ATOM 0 H GLU A 456 -4.242 -7.235 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.406 -5.193 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.465 -7.398 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.387 -6.221 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.627 -6.754 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.705 -7.785 -7.742 1.00 0.00 H new ATOM 412 N ASP A 457 -4.916 -4.814 -9.868 1.00 0.00 N ATOM 413 CA ASP A 457 -5.621 -3.853 -10.715 1.00 0.00 C ATOM 414 C ASP A 457 -6.203 -2.687 -9.919 1.00 0.00 C ATOM 415 O ASP A 457 -6.310 -1.571 -10.427 1.00 0.00 O ATOM 416 CB ASP A 457 -6.730 -4.556 -11.497 1.00 0.00 C ATOM 417 CG ASP A 457 -6.507 -4.501 -12.995 1.00 0.00 C ATOM 418 OD1 ASP A 457 -5.614 -5.221 -13.490 1.00 0.00 O ATOM 419 OD2 ASP A 457 -7.227 -3.739 -13.674 1.00 0.00 O ATOM 0 H ASP A 457 -5.336 -5.743 -9.852 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.888 -3.438 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.790 -5.597 -11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.688 -4.094 -11.258 1.00 0.00 H new ATOM 424 N ALA A 458 -6.587 -2.949 -8.678 1.00 0.00 N ATOM 425 CA ALA A 458 -7.169 -1.918 -7.825 1.00 0.00 C ATOM 426 C ALA A 458 -6.124 -0.904 -7.389 1.00 0.00 C ATOM 427 O ALA A 458 -6.414 0.286 -7.273 1.00 0.00 O ATOM 428 CB ALA A 458 -7.830 -2.539 -6.604 1.00 0.00 C ATOM 0 H ALA A 458 -6.507 -3.866 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.926 -1.398 -8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.257 -1.752 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.620 -3.218 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -7.087 -3.092 -6.030 1.00 0.00 H new ATOM 434 N VAL A 459 -4.912 -1.372 -7.137 1.00 0.00 N ATOM 435 CA VAL A 459 -3.852 -0.483 -6.708 1.00 0.00 C ATOM 436 C VAL A 459 -3.374 0.396 -7.857 1.00 0.00 C ATOM 437 O VAL A 459 -2.877 1.499 -7.637 1.00 0.00 O ATOM 438 CB VAL A 459 -2.666 -1.252 -6.102 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.695 -0.285 -5.446 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.158 -2.282 -5.096 1.00 0.00 C ATOM 0 H VAL A 459 -4.642 -2.352 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.271 0.154 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.145 -1.778 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.860 -0.841 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.322 0.417 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.206 0.263 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.306 -2.817 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.700 -1.779 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.821 -2.989 -5.594 1.00 0.00 H new ATOM 450 N ARG A 460 -3.548 -0.084 -9.085 1.00 0.00 N ATOM 451 CA ARG A 460 -3.152 0.684 -10.263 1.00 0.00 C ATOM 452 C ARG A 460 -3.967 1.968 -10.340 1.00 0.00 C ATOM 453 O ARG A 460 -3.419 3.062 -10.472 1.00 0.00 O ATOM 454 CB ARG A 460 -3.355 -0.125 -11.548 1.00 0.00 C ATOM 455 CG ARG A 460 -2.909 -1.573 -11.444 1.00 0.00 C ATOM 456 CD ARG A 460 -1.488 -1.688 -10.915 1.00 0.00 C ATOM 457 NE ARG A 460 -0.596 -2.331 -11.877 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.719 -3.597 -12.272 1.00 0.00 C ATOM 459 NH1 ARG A 460 -1.693 -4.358 -11.790 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.135 -4.102 -13.151 1.00 0.00 N ATOM 0 H ARG A 460 -3.958 -0.995 -9.291 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.092 0.922 -10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.411 -0.099 -11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.807 0.356 -12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.587 -2.116 -10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.971 -2.044 -12.425 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -1.108 -0.694 -10.677 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.492 -2.259 -9.986 1.00 0.00 H new ATOM 0 HE ARG A 460 0.166 -1.778 -12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -2.353 -3.974 -11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -1.782 -5.327 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.886 -3.521 -13.524 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.041 -5.071 -13.454 1.00 0.00 H new ATOM 474 N ARG A 461 -5.285 1.819 -10.242 1.00 0.00 N ATOM 475 CA ARG A 461 -6.196 2.955 -10.285 1.00 0.00 C ATOM 476 C ARG A 461 -5.816 3.983 -9.225 1.00 0.00 C ATOM 477 O ARG A 461 -6.053 5.180 -9.391 1.00 0.00 O ATOM 478 CB ARG A 461 -7.637 2.478 -10.092 1.00 0.00 C ATOM 479 CG ARG A 461 -7.909 1.961 -8.698 1.00 0.00 C ATOM 480 CD ARG A 461 -9.213 2.496 -8.137 1.00 0.00 C ATOM 481 NE ARG A 461 -10.138 1.421 -7.781 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.768 0.661 -8.673 1.00 0.00 C ATOM 483 NH1 ARG A 461 -10.578 0.852 -9.972 1.00 0.00 N ATOM 484 NH2 ARG A 461 -11.592 -0.295 -8.264 1.00 0.00 N ATOM 0 H ARG A 461 -5.747 0.916 -10.132 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.119 3.434 -11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.318 3.302 -10.307 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.852 1.690 -10.814 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.942 0.872 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.088 2.245 -8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.006 3.103 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.683 3.150 -8.872 1.00 0.00 H new ATOM 0 HE ARG A 461 -10.310 1.243 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -9.946 1.585 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -11.064 0.266 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.742 -0.447 -7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -12.076 -0.878 -8.947 1.00 0.00 H new ATOM 498 N TYR A 462 -5.206 3.508 -8.142 1.00 0.00 N ATOM 499 CA TYR A 462 -4.774 4.388 -7.066 1.00 0.00 C ATOM 500 C TYR A 462 -3.619 5.266 -7.537 1.00 0.00 C ATOM 501 O TYR A 462 -3.607 6.473 -7.302 1.00 0.00 O ATOM 502 CB TYR A 462 -4.352 3.571 -5.838 1.00 0.00 C ATOM 503 CG TYR A 462 -5.447 2.683 -5.275 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.767 2.809 -5.695 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.157 1.716 -4.319 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.762 2.000 -5.181 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.147 0.904 -3.801 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.447 1.049 -4.234 1.00 0.00 C ATOM 509 OH TYR A 462 -8.436 0.241 -3.719 1.00 0.00 O ATOM 0 H TYR A 462 -5.001 2.521 -7.989 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.611 5.027 -6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.497 2.950 -6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.017 4.255 -5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.019 3.553 -6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.140 1.598 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.781 2.112 -5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.903 0.158 -3.059 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.079 -0.272 -2.964 1.00 0.00 H new ATOM 519 N LEU A 463 -2.656 4.645 -8.215 1.00 0.00 N ATOM 520 CA LEU A 463 -1.490 5.346 -8.737 1.00 0.00 C ATOM 521 C LEU A 463 -1.874 6.289 -9.865 1.00 0.00 C ATOM 522 O LEU A 463 -1.619 7.492 -9.796 1.00 0.00 O ATOM 523 CB LEU A 463 -0.459 4.338 -9.239 1.00 0.00 C ATOM 524 CG LEU A 463 -0.456 2.984 -8.528 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.739 2.154 -8.968 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.454 3.172 -7.018 1.00 0.00 C ATOM 0 H LEU A 463 -2.664 3.645 -8.416 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.061 5.937 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.630 4.169 -10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.532 4.781 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.365 2.449 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.725 1.194 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.690 1.988 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.660 2.684 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.452 2.197 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.435 3.728 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.344 3.725 -6.719 1.00 0.00 H new ATOM 538 N THR A 464 -2.492 5.741 -10.907 1.00 0.00 N ATOM 539 CA THR A 464 -2.914 6.540 -12.050 1.00 0.00 C ATOM 540 C THR A 464 -3.675 7.781 -11.592 1.00 0.00 C ATOM 541 O THR A 464 -3.730 8.786 -12.300 1.00 0.00 O ATOM 542 CB THR A 464 -3.786 5.705 -12.993 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.153 4.480 -12.387 1.00 0.00 O ATOM 544 CG2 THR A 464 -3.104 5.381 -14.305 1.00 0.00 C ATOM 0 H THR A 464 -2.711 4.748 -10.982 1.00 0.00 H new ATOM 0 HA THR A 464 -2.022 6.861 -12.588 1.00 0.00 H new ATOM 0 HB THR A 464 -4.662 6.321 -13.197 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.481 3.798 -12.595 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.775 4.788 -14.927 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.853 6.307 -14.823 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.193 4.815 -14.111 1.00 0.00 H new ATOM 552 N ARG A 465 -4.259 7.699 -10.403 1.00 0.00 N ATOM 553 CA ARG A 465 -5.014 8.803 -9.848 1.00 0.00 C ATOM 554 C ARG A 465 -4.143 9.684 -8.951 1.00 0.00 C ATOM 555 O ARG A 465 -4.373 10.888 -8.848 1.00 0.00 O ATOM 556 CB ARG A 465 -6.219 8.283 -9.060 1.00 0.00 C ATOM 557 CG ARG A 465 -7.125 9.385 -8.535 1.00 0.00 C ATOM 558 CD ARG A 465 -8.261 8.820 -7.700 1.00 0.00 C ATOM 559 NE ARG A 465 -7.965 8.865 -6.270 1.00 0.00 N ATOM 560 CZ ARG A 465 -8.608 8.142 -5.357 1.00 0.00 C ATOM 561 NH1 ARG A 465 -9.582 7.316 -5.719 1.00 0.00 N ATOM 562 NH2 ARG A 465 -8.276 8.244 -4.076 1.00 0.00 N ATOM 0 H ARG A 465 -4.221 6.873 -9.806 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.366 9.413 -10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.801 7.619 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -5.863 7.686 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.541 10.082 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.534 9.951 -9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -9.172 9.384 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.452 7.789 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 465 -7.222 9.487 -5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.841 7.233 -6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -10.071 6.764 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -7.528 8.877 -3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -8.769 7.690 -3.376 1.00 0.00 H new ATOM 576 N LYS A 466 -3.152 9.073 -8.294 1.00 0.00 N ATOM 577 CA LYS A 466 -2.249 9.789 -7.397 1.00 0.00 C ATOM 578 C LYS A 466 -1.385 8.805 -6.601 1.00 0.00 C ATOM 579 O LYS A 466 -1.696 7.618 -6.526 1.00 0.00 O ATOM 580 CB LYS A 466 -3.051 10.679 -6.450 1.00 0.00 C ATOM 581 CG LYS A 466 -2.783 12.172 -6.589 1.00 0.00 C ATOM 582 CD LYS A 466 -2.312 12.583 -7.983 1.00 0.00 C ATOM 583 CE LYS A 466 -0.800 12.743 -8.035 1.00 0.00 C ATOM 584 NZ LYS A 466 -0.396 13.927 -8.844 1.00 0.00 N ATOM 0 H LYS A 466 -2.957 8.075 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.588 10.416 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.113 10.498 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -2.835 10.380 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -3.693 12.720 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.029 12.467 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.625 11.833 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.788 13.521 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.410 12.845 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.354 11.844 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.641 14.002 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -0.746 13.818 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -0.801 14.788 -8.425 1.00 0.00 H new ATOM 598 N PRO A 467 -0.275 9.280 -6.005 1.00 0.00 N ATOM 599 CA PRO A 467 0.629 8.422 -5.233 1.00 0.00 C ATOM 600 C PRO A 467 0.048 7.982 -3.896 1.00 0.00 C ATOM 601 O PRO A 467 -0.933 8.546 -3.412 1.00 0.00 O ATOM 602 CB PRO A 467 1.864 9.299 -5.040 1.00 0.00 C ATOM 603 CG PRO A 467 1.326 10.684 -5.052 1.00 0.00 C ATOM 604 CD PRO A 467 0.199 10.674 -6.048 1.00 0.00 C ATOM 0 HA PRO A 467 0.833 7.483 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.370 9.075 -4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.591 9.146 -5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 467 0.972 10.975 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.096 11.401 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.588 11.376 -5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.540 10.953 -7.045 1.00 0.00 H new ATOM 612 N MET A 468 0.654 6.947 -3.317 1.00 0.00 N ATOM 613 CA MET A 468 0.194 6.397 -2.047 1.00 0.00 C ATOM 614 C MET A 468 1.339 5.749 -1.274 1.00 0.00 C ATOM 615 O MET A 468 2.300 5.252 -1.862 1.00 0.00 O ATOM 616 CB MET A 468 -0.905 5.344 -2.280 1.00 0.00 C ATOM 617 CG MET A 468 -0.999 4.834 -3.717 1.00 0.00 C ATOM 618 SD MET A 468 -0.448 3.124 -3.893 1.00 0.00 S ATOM 619 CE MET A 468 1.283 3.345 -4.306 1.00 0.00 C ATOM 0 H MET A 468 1.467 6.473 -3.710 1.00 0.00 H new ATOM 0 HA MET A 468 -0.205 7.226 -1.463 1.00 0.00 H new ATOM 0 HB2 MET A 468 -0.725 4.497 -1.618 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.867 5.772 -1.996 1.00 0.00 H new ATOM 0 HG2 MET A 468 -2.031 4.915 -4.059 1.00 0.00 H new ATOM 0 HG3 MET A 468 -0.398 5.473 -4.364 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.717 2.384 -4.582 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.372 4.037 -5.143 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.814 3.748 -3.444 1.00 0.00 H new ATOM 629 N THR A 469 1.208 5.729 0.048 1.00 0.00 N ATOM 630 CA THR A 469 2.205 5.104 0.907 1.00 0.00 C ATOM 631 C THR A 469 1.749 3.681 1.224 1.00 0.00 C ATOM 632 O THR A 469 0.575 3.358 1.043 1.00 0.00 O ATOM 633 CB THR A 469 2.376 5.904 2.201 1.00 0.00 C ATOM 634 OG1 THR A 469 1.183 6.596 2.525 1.00 0.00 O ATOM 635 CG2 THR A 469 3.492 6.922 2.135 1.00 0.00 C ATOM 0 H THR A 469 0.419 6.139 0.548 1.00 0.00 H new ATOM 0 HA THR A 469 3.167 5.082 0.395 1.00 0.00 H new ATOM 0 HB THR A 469 2.625 5.166 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.112 7.402 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.557 7.453 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 469 4.436 6.415 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 469 3.288 7.634 1.335 1.00 0.00 H new ATOM 643 N THR A 470 2.654 2.823 1.685 1.00 0.00 N ATOM 644 CA THR A 470 2.271 1.447 1.995 1.00 0.00 C ATOM 645 C THR A 470 1.291 1.407 3.151 1.00 0.00 C ATOM 646 O THR A 470 0.382 0.577 3.181 1.00 0.00 O ATOM 647 CB THR A 470 3.493 0.577 2.292 1.00 0.00 C ATOM 648 OG1 THR A 470 4.472 1.299 3.014 1.00 0.00 O ATOM 649 CG2 THR A 470 4.147 0.031 1.041 1.00 0.00 C ATOM 0 H THR A 470 3.635 3.047 1.850 1.00 0.00 H new ATOM 0 HA THR A 470 1.780 1.037 1.113 1.00 0.00 H new ATOM 0 HB THR A 470 3.116 -0.257 2.884 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.751 0.779 3.797 1.00 0.00 H new ATOM 0 HG21 THR A 470 5.008 -0.578 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.430 -0.581 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.475 0.858 0.411 1.00 0.00 H new ATOM 657 N LYS A 471 1.456 2.326 4.084 1.00 0.00 N ATOM 658 CA LYS A 471 0.559 2.413 5.223 1.00 0.00 C ATOM 659 C LYS A 471 -0.769 2.989 4.765 1.00 0.00 C ATOM 660 O LYS A 471 -1.830 2.425 5.020 1.00 0.00 O ATOM 661 CB LYS A 471 1.160 3.291 6.323 1.00 0.00 C ATOM 662 CG LYS A 471 2.627 3.006 6.595 1.00 0.00 C ATOM 663 CD LYS A 471 3.526 3.999 5.880 1.00 0.00 C ATOM 664 CE LYS A 471 4.777 3.327 5.333 1.00 0.00 C ATOM 665 NZ LYS A 471 5.001 3.652 3.897 1.00 0.00 N ATOM 0 H LYS A 471 2.201 3.022 4.077 1.00 0.00 H new ATOM 0 HA LYS A 471 0.407 1.415 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.048 4.338 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.594 3.145 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.815 3.050 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.869 1.994 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 471 2.976 4.466 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.811 4.795 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.643 3.643 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.690 2.247 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 4.796 2.814 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.372 4.431 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.991 3.938 3.756 1.00 0.00 H new ATOM 679 N ASP A 472 -0.692 4.112 4.068 1.00 0.00 N ATOM 680 CA ASP A 472 -1.879 4.773 3.548 1.00 0.00 C ATOM 681 C ASP A 472 -2.650 3.858 2.596 1.00 0.00 C ATOM 682 O ASP A 472 -3.829 4.088 2.330 1.00 0.00 O ATOM 683 CB ASP A 472 -1.485 6.063 2.825 1.00 0.00 C ATOM 684 CG ASP A 472 -2.685 6.813 2.281 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.074 6.549 1.123 1.00 0.00 O ATOM 686 OD2 ASP A 472 -3.236 7.664 3.011 1.00 0.00 O ATOM 0 H ASP A 472 0.184 4.586 3.849 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.529 5.013 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.938 6.708 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.808 5.824 2.005 1.00 0.00 H new ATOM 691 N LEU A 473 -1.981 2.830 2.069 1.00 0.00 N ATOM 692 CA LEU A 473 -2.616 1.906 1.134 1.00 0.00 C ATOM 693 C LEU A 473 -3.565 0.935 1.829 1.00 0.00 C ATOM 694 O LEU A 473 -4.640 0.630 1.315 1.00 0.00 O ATOM 695 CB LEU A 473 -1.562 1.127 0.358 1.00 0.00 C ATOM 696 CG LEU A 473 -1.191 1.730 -0.993 1.00 0.00 C ATOM 697 CD1 LEU A 473 0.308 1.642 -1.220 1.00 0.00 C ATOM 698 CD2 LEU A 473 -1.950 1.030 -2.114 1.00 0.00 C ATOM 0 H LEU A 473 -1.004 2.619 2.274 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.208 2.510 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.661 1.054 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.923 0.111 0.200 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.474 2.782 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.555 2.077 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.828 2.189 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.618 0.597 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.674 1.472 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -1.697 -0.030 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.022 1.147 -1.956 1.00 0.00 H new ATOM 710 N LEU A 474 -3.152 0.432 2.981 1.00 0.00 N ATOM 711 CA LEU A 474 -3.962 -0.528 3.725 1.00 0.00 C ATOM 712 C LEU A 474 -5.008 0.150 4.609 1.00 0.00 C ATOM 713 O LEU A 474 -6.169 -0.258 4.624 1.00 0.00 O ATOM 714 CB LEU A 474 -3.087 -1.453 4.570 1.00 0.00 C ATOM 715 CG LEU A 474 -2.031 -0.745 5.406 1.00 0.00 C ATOM 716 CD1 LEU A 474 -2.498 -0.599 6.848 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.704 -1.489 5.340 1.00 0.00 C ATOM 0 H LEU A 474 -2.264 0.669 3.423 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.492 -1.122 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.729 -2.030 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.591 -2.164 3.909 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.881 0.253 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.729 -0.090 7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -3.419 -0.016 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.681 -1.586 7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.037 -0.966 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.835 -2.501 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.363 -1.533 4.306 1.00 0.00 H new ATOM 729 N LYS A 475 -4.598 1.175 5.353 1.00 0.00 N ATOM 730 CA LYS A 475 -5.507 1.888 6.243 1.00 0.00 C ATOM 731 C LYS A 475 -6.821 2.225 5.546 1.00 0.00 C ATOM 732 O LYS A 475 -7.869 2.313 6.186 1.00 0.00 O ATOM 733 CB LYS A 475 -4.840 3.159 6.760 1.00 0.00 C ATOM 734 CG LYS A 475 -3.520 2.892 7.460 1.00 0.00 C ATOM 735 CD LYS A 475 -3.705 1.988 8.665 1.00 0.00 C ATOM 736 CE LYS A 475 -2.544 2.110 9.639 1.00 0.00 C ATOM 737 NZ LYS A 475 -2.952 1.788 11.034 1.00 0.00 N ATOM 0 H LYS A 475 -3.642 1.529 5.356 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.737 1.235 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -4.672 3.840 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.516 3.663 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.823 2.431 6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.077 3.836 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -4.635 2.243 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -3.796 0.953 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.741 1.440 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -2.145 3.124 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -2.132 1.883 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -3.701 2.443 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -3.309 0.812 11.075 1.00 0.00 H new ATOM 751 N LYS A 476 -6.761 2.406 4.232 1.00 0.00 N ATOM 752 CA LYS A 476 -7.953 2.722 3.460 1.00 0.00 C ATOM 753 C LYS A 476 -8.789 1.467 3.223 1.00 0.00 C ATOM 754 O LYS A 476 -10.015 1.500 3.327 1.00 0.00 O ATOM 755 CB LYS A 476 -7.580 3.376 2.127 1.00 0.00 C ATOM 756 CG LYS A 476 -6.523 2.613 1.349 1.00 0.00 C ATOM 757 CD LYS A 476 -6.783 2.668 -0.147 1.00 0.00 C ATOM 758 CE LYS A 476 -7.274 1.330 -0.674 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.557 1.464 -1.418 1.00 0.00 N ATOM 0 H LYS A 476 -5.904 2.340 3.683 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.550 3.431 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.476 3.466 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.220 4.387 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.539 3.031 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.507 1.574 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.523 3.439 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -5.868 2.952 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.518 0.898 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.407 0.639 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.239 0.764 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -8.940 2.421 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.389 1.301 -2.431 1.00 0.00 H new ATOM 773 N PHE A 477 -8.118 0.356 2.921 1.00 0.00 N ATOM 774 CA PHE A 477 -8.795 -0.908 2.691 1.00 0.00 C ATOM 775 C PHE A 477 -9.368 -1.437 3.994 1.00 0.00 C ATOM 776 O PHE A 477 -10.583 -1.498 4.180 1.00 0.00 O ATOM 777 CB PHE A 477 -7.809 -1.922 2.118 1.00 0.00 C ATOM 778 CG PHE A 477 -7.637 -1.834 0.630 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.716 -2.002 -0.222 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.389 -1.586 0.085 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.552 -1.925 -1.592 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.219 -1.507 -1.281 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.302 -1.675 -2.123 1.00 0.00 C ATOM 0 H PHE A 477 -7.103 0.312 2.831 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.608 -0.750 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.839 -1.779 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.146 -2.926 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.696 -2.195 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.539 -1.453 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.400 -2.060 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.240 -1.314 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.171 -1.611 -3.193 1.00 0.00 H new ATOM 793 N GLN A 478 -8.463 -1.810 4.886 1.00 0.00 N ATOM 794 CA GLN A 478 -8.812 -2.340 6.205 1.00 0.00 C ATOM 795 C GLN A 478 -9.887 -3.424 6.123 1.00 0.00 C ATOM 796 O GLN A 478 -10.431 -3.703 5.054 1.00 0.00 O ATOM 797 CB GLN A 478 -9.269 -1.213 7.137 1.00 0.00 C ATOM 798 CG GLN A 478 -10.422 -0.386 6.592 1.00 0.00 C ATOM 799 CD GLN A 478 -10.985 0.576 7.619 1.00 0.00 C ATOM 800 OE1 GLN A 478 -11.350 0.053 8.783 1.00 0.00 O flip ATOM 801 NE2 GLN A 478 -11.091 1.777 7.369 1.00 0.00 N flip ATOM 0 H GLN A 478 -7.458 -1.755 4.719 1.00 0.00 H new ATOM 0 HA GLN A 478 -7.912 -2.799 6.614 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -9.566 -1.644 8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -8.424 -0.553 7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -10.082 0.175 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -11.214 -1.053 6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -10.798 2.137 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -11.472 2.412 8.070 1.00 0.00 H new ATOM 810 N THR A 479 -10.178 -4.038 7.265 1.00 0.00 N ATOM 811 CA THR A 479 -11.181 -5.097 7.337 1.00 0.00 C ATOM 812 C THR A 479 -12.600 -4.531 7.277 1.00 0.00 C ATOM 813 O THR A 479 -13.574 -5.283 7.300 1.00 0.00 O ATOM 814 CB THR A 479 -11.001 -5.904 8.624 1.00 0.00 C ATOM 815 OG1 THR A 479 -9.647 -5.889 9.042 1.00 0.00 O ATOM 816 CG2 THR A 479 -11.423 -7.351 8.489 1.00 0.00 C ATOM 0 H THR A 479 -9.733 -3.820 8.156 1.00 0.00 H new ATOM 0 HA THR A 479 -11.039 -5.748 6.474 1.00 0.00 H new ATOM 0 HB THR A 479 -11.646 -5.421 9.358 1.00 0.00 H new ATOM 0 HG1 THR A 479 -9.064 -6.031 8.267 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.269 -7.865 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 479 -12.478 -7.399 8.218 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.827 -7.833 7.714 1.00 0.00 H new ATOM 824 N LYS A 480 -12.715 -3.204 7.204 1.00 0.00 N ATOM 825 CA LYS A 480 -14.018 -2.546 7.145 1.00 0.00 C ATOM 826 C LYS A 480 -14.945 -3.230 6.142 1.00 0.00 C ATOM 827 O LYS A 480 -16.165 -3.220 6.308 1.00 0.00 O ATOM 828 CB LYS A 480 -13.848 -1.072 6.771 1.00 0.00 C ATOM 829 CG LYS A 480 -15.156 -0.297 6.742 1.00 0.00 C ATOM 830 CD LYS A 480 -15.421 0.395 8.070 1.00 0.00 C ATOM 831 CE LYS A 480 -16.328 1.602 7.897 1.00 0.00 C ATOM 832 NZ LYS A 480 -16.785 2.146 9.205 1.00 0.00 N ATOM 0 H LYS A 480 -11.920 -2.565 7.184 1.00 0.00 H new ATOM 0 HA LYS A 480 -14.473 -2.621 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -13.172 -0.600 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -13.375 -1.007 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -15.124 0.445 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -15.978 -0.976 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -15.880 -0.310 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -14.476 0.709 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -15.797 2.379 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -17.194 1.322 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -17.401 2.968 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -17.314 1.413 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -15.960 2.437 9.767 1.00 0.00 H new ATOM 846 N LYS A 481 -14.363 -3.824 5.105 1.00 0.00 N ATOM 847 CA LYS A 481 -15.152 -4.509 4.087 1.00 0.00 C ATOM 848 C LYS A 481 -14.387 -5.677 3.481 1.00 0.00 C ATOM 849 O LYS A 481 -14.942 -6.760 3.293 1.00 0.00 O ATOM 850 CB LYS A 481 -15.574 -3.530 2.989 1.00 0.00 C ATOM 851 CG LYS A 481 -16.916 -2.865 3.253 1.00 0.00 C ATOM 852 CD LYS A 481 -18.031 -3.522 2.457 1.00 0.00 C ATOM 853 CE LYS A 481 -18.150 -2.925 1.065 1.00 0.00 C ATOM 854 NZ LYS A 481 -19.240 -3.564 0.276 1.00 0.00 N ATOM 0 H LYS A 481 -13.355 -3.845 4.948 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.044 -4.906 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.810 -2.760 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.621 -4.061 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -17.147 -2.919 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.857 -1.808 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.842 -4.593 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -18.976 -3.403 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -18.339 -1.855 1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -17.203 -3.043 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -19.056 -3.434 -0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -19.277 -4.580 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -20.150 -3.124 0.521 1.00 0.00 H new ATOM 868 N THR A 482 -13.111 -5.462 3.184 1.00 0.00 N ATOM 869 CA THR A 482 -12.283 -6.515 2.609 1.00 0.00 C ATOM 870 C THR A 482 -12.308 -7.770 3.480 1.00 0.00 C ATOM 871 O THR A 482 -11.924 -8.851 3.032 1.00 0.00 O ATOM 872 CB THR A 482 -10.839 -6.036 2.450 1.00 0.00 C ATOM 873 OG1 THR A 482 -10.253 -5.783 3.715 1.00 0.00 O ATOM 874 CG2 THR A 482 -10.707 -4.776 1.625 1.00 0.00 C ATOM 0 H THR A 482 -12.630 -4.575 3.330 1.00 0.00 H new ATOM 0 HA THR A 482 -12.693 -6.759 1.629 1.00 0.00 H new ATOM 0 HB THR A 482 -10.326 -6.844 1.928 1.00 0.00 H new ATOM 0 HG1 THR A 482 -10.421 -4.853 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.656 -4.496 1.555 1.00 0.00 H new ATOM 0 HG22 THR A 482 -11.103 -4.953 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.267 -3.970 2.100 1.00 0.00 H new ATOM 882 N GLY A 483 -12.740 -7.619 4.732 1.00 0.00 N ATOM 883 CA GLY A 483 -12.777 -8.749 5.636 1.00 0.00 C ATOM 884 C GLY A 483 -11.389 -9.280 5.903 1.00 0.00 C ATOM 885 O GLY A 483 -11.220 -10.413 6.351 1.00 0.00 O ATOM 0 H GLY A 483 -13.063 -6.737 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -13.242 -8.451 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -13.396 -9.539 5.210 1.00 0.00 H new ATOM 889 N LEU A 484 -10.390 -8.453 5.614 1.00 0.00 N ATOM 890 CA LEU A 484 -9.006 -8.831 5.806 1.00 0.00 C ATOM 891 C LEU A 484 -8.390 -8.092 6.986 1.00 0.00 C ATOM 892 O LEU A 484 -8.362 -6.862 7.018 1.00 0.00 O ATOM 893 CB LEU A 484 -8.202 -8.560 4.535 1.00 0.00 C ATOM 894 CG LEU A 484 -7.940 -9.793 3.670 1.00 0.00 C ATOM 895 CD1 LEU A 484 -9.218 -10.227 2.968 1.00 0.00 C ATOM 896 CD2 LEU A 484 -6.837 -9.515 2.659 1.00 0.00 C ATOM 0 H LEU A 484 -10.521 -7.512 5.244 1.00 0.00 H new ATOM 0 HA LEU A 484 -8.977 -9.898 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.733 -7.819 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.245 -8.119 4.814 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.609 -10.606 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -9.016 -11.106 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.977 -10.469 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.577 -9.417 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.666 -10.405 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.135 -8.689 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -5.919 -9.252 3.185 1.00 0.00 H new ATOM 908 N SER A 485 -7.894 -8.858 7.950 1.00 0.00 N ATOM 909 CA SER A 485 -7.264 -8.301 9.146 1.00 0.00 C ATOM 910 C SER A 485 -6.354 -7.125 8.809 1.00 0.00 C ATOM 911 O SER A 485 -5.858 -7.012 7.688 1.00 0.00 O ATOM 912 CB SER A 485 -6.446 -9.376 9.853 1.00 0.00 C ATOM 913 OG SER A 485 -6.759 -9.432 11.233 1.00 0.00 O ATOM 0 H SER A 485 -7.916 -9.878 7.928 1.00 0.00 H new ATOM 0 HA SER A 485 -8.061 -7.944 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.640 -10.345 9.394 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.383 -9.170 9.726 1.00 0.00 H new ATOM 0 HG SER A 485 -6.222 -10.130 11.662 1.00 0.00 H new ATOM 919 N SER A 486 -6.120 -6.265 9.794 1.00 0.00 N ATOM 920 CA SER A 486 -5.248 -5.115 9.604 1.00 0.00 C ATOM 921 C SER A 486 -3.834 -5.579 9.273 1.00 0.00 C ATOM 922 O SER A 486 -3.057 -4.852 8.655 1.00 0.00 O ATOM 923 CB SER A 486 -5.236 -4.238 10.858 1.00 0.00 C ATOM 924 OG SER A 486 -6.195 -3.200 10.763 1.00 0.00 O ATOM 0 H SER A 486 -6.521 -6.343 10.729 1.00 0.00 H new ATOM 0 HA SER A 486 -5.630 -4.523 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 486 -5.444 -4.850 11.736 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.244 -3.809 10.996 1.00 0.00 H new ATOM 0 HG SER A 486 -6.169 -2.655 11.577 1.00 0.00 H new ATOM 930 N GLU A 487 -3.515 -6.801 9.690 1.00 0.00 N ATOM 931 CA GLU A 487 -2.207 -7.383 9.442 1.00 0.00 C ATOM 932 C GLU A 487 -2.192 -8.115 8.111 1.00 0.00 C ATOM 933 O GLU A 487 -1.295 -7.925 7.289 1.00 0.00 O ATOM 934 CB GLU A 487 -1.824 -8.343 10.572 1.00 0.00 C ATOM 935 CG GLU A 487 -2.265 -7.873 11.949 1.00 0.00 C ATOM 936 CD GLU A 487 -1.900 -8.856 13.045 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.937 -9.627 12.853 1.00 0.00 O ATOM 938 OE2 GLU A 487 -2.578 -8.854 14.093 1.00 0.00 O ATOM 0 H GLU A 487 -4.153 -7.408 10.205 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.476 -6.575 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.265 -9.319 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.742 -8.476 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.806 -6.908 12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.344 -7.720 11.948 1.00 0.00 H new ATOM 945 N GLN A 488 -3.202 -8.944 7.904 1.00 0.00 N ATOM 946 CA GLN A 488 -3.327 -9.705 6.669 1.00 0.00 C ATOM 947 C GLN A 488 -3.433 -8.759 5.484 1.00 0.00 C ATOM 948 O GLN A 488 -2.791 -8.963 4.453 1.00 0.00 O ATOM 949 CB GLN A 488 -4.547 -10.628 6.716 1.00 0.00 C ATOM 950 CG GLN A 488 -4.189 -12.094 6.897 1.00 0.00 C ATOM 951 CD GLN A 488 -5.387 -12.944 7.270 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.325 -13.753 8.196 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.487 -12.764 6.548 1.00 0.00 N ATOM 0 H GLN A 488 -3.950 -9.108 8.577 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.436 -10.323 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.197 -10.317 7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.117 -10.512 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.752 -12.474 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.428 -12.185 7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.493 -12.082 5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.326 -13.308 6.752 1.00 0.00 H new ATOM 962 N THR A 489 -4.233 -7.704 5.644 1.00 0.00 N ATOM 963 CA THR A 489 -4.402 -6.710 4.591 1.00 0.00 C ATOM 964 C THR A 489 -3.038 -6.263 4.080 1.00 0.00 C ATOM 965 O THR A 489 -2.883 -5.903 2.915 1.00 0.00 O ATOM 966 CB THR A 489 -5.191 -5.506 5.108 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.473 -5.903 5.561 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.388 -4.426 4.065 1.00 0.00 C ATOM 0 H THR A 489 -4.771 -7.519 6.491 1.00 0.00 H new ATOM 0 HA THR A 489 -4.962 -7.161 3.772 1.00 0.00 H new ATOM 0 HB THR A 489 -4.593 -5.098 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.461 -5.996 6.537 1.00 0.00 H new ATOM 0 HG21 THR A 489 -5.955 -3.602 4.497 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.417 -4.062 3.730 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.934 -4.836 3.216 1.00 0.00 H new ATOM 976 N VAL A 490 -2.047 -6.313 4.966 1.00 0.00 N ATOM 977 CA VAL A 490 -0.680 -5.939 4.616 1.00 0.00 C ATOM 978 C VAL A 490 0.027 -7.113 3.965 1.00 0.00 C ATOM 979 O VAL A 490 0.751 -6.958 2.981 1.00 0.00 O ATOM 980 CB VAL A 490 0.111 -5.503 5.857 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.408 -4.817 5.457 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.740 -4.593 6.722 1.00 0.00 C ATOM 0 H VAL A 490 -2.166 -6.610 5.935 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.730 -5.101 3.921 1.00 0.00 H new ATOM 0 HB VAL A 490 0.369 -6.389 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.952 -4.517 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 490 2.020 -5.506 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.183 -3.936 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.170 -4.289 7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.025 -3.710 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.637 -5.126 7.038 1.00 0.00 H new ATOM 992 N ASN A 491 -0.211 -8.295 4.518 1.00 0.00 N ATOM 993 CA ASN A 491 0.370 -9.523 4.002 1.00 0.00 C ATOM 994 C ASN A 491 -0.090 -9.754 2.564 1.00 0.00 C ATOM 995 O ASN A 491 0.626 -10.342 1.755 1.00 0.00 O ATOM 996 CB ASN A 491 -0.042 -10.691 4.905 1.00 0.00 C ATOM 997 CG ASN A 491 0.072 -12.044 4.230 1.00 0.00 C ATOM 998 OD1 ASN A 491 1.160 -12.473 3.847 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.062 -12.721 4.082 1.00 0.00 N ATOM 0 H ASN A 491 -0.810 -8.427 5.333 1.00 0.00 H new ATOM 0 HA ASN A 491 1.457 -9.446 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.581 -10.686 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.071 -10.542 5.232 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.054 -13.638 3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -1.940 -12.324 4.416 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.289 -9.269 2.260 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.862 -9.395 0.927 1.00 0.00 C ATOM 1008 C VAL A 492 -1.669 -8.105 0.128 1.00 0.00 C ATOM 1009 O VAL A 492 -1.974 -8.048 -1.060 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.366 -9.722 1.008 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.089 -8.670 1.837 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -3.975 -9.834 -0.382 1.00 0.00 C ATOM 0 H VAL A 492 -1.887 -8.781 2.927 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.344 -10.210 0.421 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.483 -10.688 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.151 -8.912 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.673 -8.652 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -3.961 -7.691 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.037 -10.065 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.851 -8.889 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.474 -10.628 -0.936 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.168 -7.070 0.788 1.00 0.00 N ATOM 1023 CA LEU A 493 -0.940 -5.792 0.142 1.00 0.00 C ATOM 1024 C LEU A 493 0.502 -5.689 -0.343 1.00 0.00 C ATOM 1025 O LEU A 493 0.780 -5.091 -1.381 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.259 -4.651 1.119 1.00 0.00 C ATOM 1027 CG LEU A 493 -0.803 -3.254 0.690 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.198 -2.965 -0.750 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.383 -2.201 1.621 1.00 0.00 C ATOM 0 H LEU A 493 -0.912 -7.094 1.775 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.598 -5.712 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.337 -4.627 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.799 -4.883 2.080 1.00 0.00 H new ATOM 0 HG LEU A 493 0.285 -3.219 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.861 -1.966 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.735 -3.699 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.282 -3.022 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -1.051 -1.212 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.472 -2.246 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.043 -2.389 2.639 1.00 0.00 H new ATOM 1041 N ALA A 494 1.414 -6.281 0.418 1.00 0.00 N ATOM 1042 CA ALA A 494 2.828 -6.263 0.073 1.00 0.00 C ATOM 1043 C ALA A 494 3.075 -6.948 -1.265 1.00 0.00 C ATOM 1044 O ALA A 494 3.930 -6.523 -2.042 1.00 0.00 O ATOM 1045 CB ALA A 494 3.641 -6.938 1.168 1.00 0.00 C ATOM 0 H ALA A 494 1.198 -6.781 1.281 1.00 0.00 H new ATOM 0 HA ALA A 494 3.144 -5.224 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.698 -6.919 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.495 -6.407 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.313 -7.971 1.280 1.00 0.00 H new ATOM 1051 N GLN A 495 2.329 -8.016 -1.523 1.00 0.00 N ATOM 1052 CA GLN A 495 2.468 -8.770 -2.755 1.00 0.00 C ATOM 1053 C GLN A 495 2.040 -7.953 -3.973 1.00 0.00 C ATOM 1054 O GLN A 495 2.720 -7.949 -4.998 1.00 0.00 O ATOM 1055 CB GLN A 495 1.646 -10.052 -2.672 1.00 0.00 C ATOM 1056 CG GLN A 495 0.244 -9.835 -2.151 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.818 -10.047 -3.214 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -0.539 -10.566 -4.295 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -2.044 -9.642 -2.908 1.00 0.00 N ATOM 0 H GLN A 495 1.618 -8.378 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 495 3.523 -9.016 -2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.591 -10.504 -3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.160 -10.763 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.061 -10.516 -1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.160 -8.822 -1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.229 -9.217 -1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -2.802 -9.756 -3.581 1.00 0.00 H new ATOM 1068 N ILE A 496 0.903 -7.275 -3.859 1.00 0.00 N ATOM 1069 CA ILE A 496 0.378 -6.470 -4.954 1.00 0.00 C ATOM 1070 C ILE A 496 1.171 -5.179 -5.139 1.00 0.00 C ATOM 1071 O ILE A 496 1.416 -4.747 -6.266 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.109 -6.119 -4.715 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.996 -7.336 -4.980 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.538 -4.952 -5.591 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.233 -7.378 -4.110 1.00 0.00 C ATOM 0 H ILE A 496 0.327 -7.268 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 496 0.472 -7.070 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.224 -5.824 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.297 -7.336 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.414 -8.243 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.588 -4.724 -5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.930 -4.078 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.405 -5.216 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.817 -8.267 -4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.939 -7.410 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.836 -6.488 -4.291 1.00 0.00 H new ATOM 1087 N LEU A 497 1.545 -4.562 -4.027 1.00 0.00 N ATOM 1088 CA LEU A 497 2.289 -3.304 -4.044 1.00 0.00 C ATOM 1089 C LEU A 497 3.339 -3.257 -5.160 1.00 0.00 C ATOM 1090 O LEU A 497 3.278 -2.402 -6.044 1.00 0.00 O ATOM 1091 CB LEU A 497 2.970 -3.088 -2.684 1.00 0.00 C ATOM 1092 CG LEU A 497 2.643 -1.780 -1.938 1.00 0.00 C ATOM 1093 CD1 LEU A 497 1.886 -0.789 -2.809 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.851 -2.069 -0.678 1.00 0.00 C ATOM 0 H LEU A 497 1.344 -4.914 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 497 1.572 -2.506 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.705 -3.923 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.049 -3.132 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 497 3.596 -1.322 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.680 0.115 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.489 -0.537 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 497 0.946 -1.235 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.630 -1.133 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.918 -2.568 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 497 2.435 -2.714 -0.021 1.00 0.00 H new ATOM 1106 N LYS A 498 4.320 -4.150 -5.090 1.00 0.00 N ATOM 1107 CA LYS A 498 5.406 -4.180 -6.072 1.00 0.00 C ATOM 1108 C LYS A 498 4.898 -4.398 -7.489 1.00 0.00 C ATOM 1109 O LYS A 498 5.524 -3.958 -8.454 1.00 0.00 O ATOM 1110 CB LYS A 498 6.419 -5.266 -5.716 1.00 0.00 C ATOM 1111 CG LYS A 498 5.851 -6.676 -5.785 1.00 0.00 C ATOM 1112 CD LYS A 498 5.272 -7.120 -4.450 1.00 0.00 C ATOM 1113 CE LYS A 498 6.289 -6.973 -3.322 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.158 -8.064 -2.317 1.00 0.00 N ATOM 0 H LYS A 498 4.389 -4.864 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 498 5.889 -3.203 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.270 -5.193 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.795 -5.084 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 498 5.075 -6.718 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.635 -7.369 -6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.386 -6.528 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.952 -8.160 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.297 -6.980 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.153 -6.009 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.071 -8.208 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.437 -7.803 -1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.874 -8.943 -2.794 1.00 0.00 H new ATOM 1128 N ARG A 499 3.768 -5.069 -7.616 1.00 0.00 N ATOM 1129 CA ARG A 499 3.192 -5.327 -8.929 1.00 0.00 C ATOM 1130 C ARG A 499 2.910 -4.021 -9.669 1.00 0.00 C ATOM 1131 O ARG A 499 2.782 -3.999 -10.893 1.00 0.00 O ATOM 1132 CB ARG A 499 1.903 -6.131 -8.789 1.00 0.00 C ATOM 1133 CG ARG A 499 1.599 -6.993 -9.998 1.00 0.00 C ATOM 1134 CD ARG A 499 1.845 -8.463 -9.707 1.00 0.00 C ATOM 1135 NE ARG A 499 1.432 -9.319 -10.818 1.00 0.00 N ATOM 1136 CZ ARG A 499 1.828 -10.581 -10.969 1.00 0.00 C ATOM 1137 NH1 ARG A 499 2.647 -11.137 -10.085 1.00 0.00 N ATOM 1138 NH2 ARG A 499 1.406 -11.288 -12.008 1.00 0.00 N ATOM 0 H ARG A 499 3.232 -5.444 -6.834 1.00 0.00 H new ATOM 0 HA ARG A 499 3.914 -5.902 -9.508 1.00 0.00 H new ATOM 0 HB2 ARG A 499 1.974 -6.767 -7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.072 -5.446 -8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.561 -6.849 -10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 499 2.220 -6.678 -10.837 1.00 0.00 H new ATOM 0 HD2 ARG A 499 2.904 -8.620 -9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 499 1.301 -8.750 -8.807 1.00 0.00 H new ATOM 0 HE ARG A 499 0.803 -8.926 -11.519 1.00 0.00 H new ATOM 0 HH11 ARG A 499 2.976 -10.597 -9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 499 2.947 -12.104 -10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 499 0.778 -10.865 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 499 1.709 -12.255 -12.124 1.00 0.00 H new ATOM 1152 N LEU A 500 2.803 -2.939 -8.908 1.00 0.00 N ATOM 1153 CA LEU A 500 2.521 -1.620 -9.463 1.00 0.00 C ATOM 1154 C LEU A 500 3.604 -1.148 -10.422 1.00 0.00 C ATOM 1155 O LEU A 500 3.313 -0.659 -11.514 1.00 0.00 O ATOM 1156 CB LEU A 500 2.388 -0.606 -8.331 1.00 0.00 C ATOM 1157 CG LEU A 500 1.217 -0.838 -7.378 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.187 0.242 -6.306 1.00 0.00 C ATOM 1159 CD2 LEU A 500 -0.097 -0.879 -8.147 1.00 0.00 C ATOM 0 H LEU A 500 2.909 -2.950 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 500 1.590 -1.700 -10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.312 -0.610 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.289 0.388 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 500 1.351 -1.802 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.348 0.064 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.117 0.218 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.074 1.219 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.920 -1.045 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.245 0.068 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.067 -1.690 -8.875 1.00 0.00 H new ATOM 1171 N ASN A 501 4.847 -1.274 -9.996 1.00 0.00 N ATOM 1172 CA ASN A 501 5.980 -0.839 -10.798 1.00 0.00 C ATOM 1173 C ASN A 501 5.887 0.668 -11.065 1.00 0.00 C ATOM 1174 O ASN A 501 5.859 1.107 -12.215 1.00 0.00 O ATOM 1175 CB ASN A 501 6.020 -1.627 -12.107 1.00 0.00 C ATOM 1176 CG ASN A 501 7.097 -1.148 -13.055 1.00 0.00 C ATOM 1177 OD1 ASN A 501 6.852 -0.317 -13.930 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.299 -1.681 -12.888 1.00 0.00 N ATOM 0 H ASN A 501 5.101 -1.676 -9.094 1.00 0.00 H new ATOM 0 HA ASN A 501 6.905 -1.030 -10.253 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.183 -2.682 -11.885 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.051 -1.551 -12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.068 -1.406 -13.499 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.455 -2.366 -12.149 1.00 0.00 H new ATOM 1185 N PRO A 502 5.832 1.481 -9.992 1.00 0.00 N ATOM 1186 CA PRO A 502 5.736 2.927 -10.066 1.00 0.00 C ATOM 1187 C PRO A 502 7.080 3.595 -9.819 1.00 0.00 C ATOM 1188 O PRO A 502 8.130 2.962 -9.924 1.00 0.00 O ATOM 1189 CB PRO A 502 4.779 3.227 -8.909 1.00 0.00 C ATOM 1190 CG PRO A 502 4.954 2.096 -7.933 1.00 0.00 C ATOM 1191 CD PRO A 502 5.850 1.071 -8.588 1.00 0.00 C ATOM 0 HA PRO A 502 5.409 3.290 -11.040 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.014 4.185 -8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.748 3.287 -9.259 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.397 2.455 -7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 502 3.990 1.656 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.858 1.090 -8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.470 0.058 -8.457 1.00 0.00 H new ATOM 1199 N GLU A 503 7.037 4.871 -9.473 1.00 0.00 N ATOM 1200 CA GLU A 503 8.237 5.624 -9.187 1.00 0.00 C ATOM 1201 C GLU A 503 8.167 6.188 -7.775 1.00 0.00 C ATOM 1202 O GLU A 503 7.116 6.656 -7.337 1.00 0.00 O ATOM 1203 CB GLU A 503 8.413 6.743 -10.209 1.00 0.00 C ATOM 1204 CG GLU A 503 9.553 6.495 -11.181 1.00 0.00 C ATOM 1205 CD GLU A 503 10.754 7.379 -10.911 1.00 0.00 C ATOM 1206 OE1 GLU A 503 10.691 8.584 -11.238 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.759 6.868 -10.374 1.00 0.00 O ATOM 0 H GLU A 503 6.174 5.407 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 503 9.101 4.962 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.486 6.862 -10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.591 7.681 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.856 5.450 -11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.202 6.667 -12.198 1.00 0.00 H new ATOM 1214 N ARG A 504 9.278 6.125 -7.056 1.00 0.00 N ATOM 1215 CA ARG A 504 9.313 6.614 -5.686 1.00 0.00 C ATOM 1216 C ARG A 504 9.451 8.129 -5.632 1.00 0.00 C ATOM 1217 O ARG A 504 10.277 8.723 -6.326 1.00 0.00 O ATOM 1218 CB ARG A 504 10.448 5.958 -4.908 1.00 0.00 C ATOM 1219 CG ARG A 504 11.832 6.319 -5.425 1.00 0.00 C ATOM 1220 CD ARG A 504 12.438 7.469 -4.637 1.00 0.00 C ATOM 1221 NE ARG A 504 13.681 7.946 -5.235 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.835 7.284 -5.176 1.00 0.00 C ATOM 1223 NH1 ARG A 504 14.907 6.116 -4.549 1.00 0.00 N ATOM 1224 NH2 ARG A 504 15.920 7.790 -5.747 1.00 0.00 N ATOM 0 H ARG A 504 10.161 5.743 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 504 8.363 6.346 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.374 6.249 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.326 4.876 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.484 5.448 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.768 6.592 -6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.722 8.290 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.628 7.147 -3.613 1.00 0.00 H new ATOM 0 HE ARG A 504 13.665 8.839 -5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.076 5.721 -4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 504 15.794 5.613 -4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 504 15.871 8.686 -6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 504 16.804 7.283 -5.702 1.00 0.00 H new ATOM 1238 N LYS A 505 8.628 8.738 -4.791 1.00 0.00 N ATOM 1239 CA LYS A 505 8.623 10.185 -4.606 1.00 0.00 C ATOM 1240 C LYS A 505 8.046 10.529 -3.237 1.00 0.00 C ATOM 1241 O LYS A 505 7.164 9.831 -2.738 1.00 0.00 O ATOM 1242 CB LYS A 505 7.800 10.875 -5.700 1.00 0.00 C ATOM 1243 CG LYS A 505 7.875 10.191 -7.056 1.00 0.00 C ATOM 1244 CD LYS A 505 6.926 10.832 -8.056 1.00 0.00 C ATOM 1245 CE LYS A 505 5.474 10.535 -7.714 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.534 11.209 -8.651 1.00 0.00 N ATOM 0 H LYS A 505 7.944 8.245 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 505 9.651 10.542 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.758 10.918 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.144 11.904 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.895 10.244 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.630 9.135 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.085 11.910 -8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.148 10.464 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.307 9.458 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.267 10.861 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.591 10.780 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.477 12.221 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.877 11.098 -9.627 1.00 0.00 H new ATOM 1260 N MET A 506 8.540 11.599 -2.627 1.00 0.00 N ATOM 1261 CA MET A 506 8.052 12.001 -1.315 1.00 0.00 C ATOM 1262 C MET A 506 6.863 12.948 -1.431 1.00 0.00 C ATOM 1263 O MET A 506 7.006 14.094 -1.856 1.00 0.00 O ATOM 1264 CB MET A 506 9.165 12.657 -0.495 1.00 0.00 C ATOM 1265 CG MET A 506 9.839 13.827 -1.194 1.00 0.00 C ATOM 1266 SD MET A 506 10.130 15.222 -0.087 1.00 0.00 S ATOM 1267 CE MET A 506 10.665 14.377 1.401 1.00 0.00 C ATOM 0 H MET A 506 9.270 12.198 -3.014 1.00 0.00 H new ATOM 0 HA MET A 506 7.723 11.098 -0.801 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.750 13.003 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.918 11.906 -0.257 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.789 13.496 -1.614 1.00 0.00 H new ATOM 0 HG3 MET A 506 9.218 14.153 -2.029 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.115 15.096 2.086 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.807 13.907 1.881 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.399 13.614 1.142 1.00 0.00 H new ATOM 1277 N ILE A 507 5.689 12.464 -1.035 1.00 0.00 N ATOM 1278 CA ILE A 507 4.476 13.269 -1.079 1.00 0.00 C ATOM 1279 C ILE A 507 4.286 14.007 0.243 1.00 0.00 C ATOM 1280 O ILE A 507 4.007 13.394 1.274 1.00 0.00 O ATOM 1281 CB ILE A 507 3.221 12.400 -1.371 1.00 0.00 C ATOM 1282 CG1 ILE A 507 3.168 11.936 -2.840 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.952 13.166 -1.028 1.00 0.00 C ATOM 1284 CD1 ILE A 507 4.106 12.679 -3.768 1.00 0.00 C ATOM 0 H ILE A 507 5.554 11.517 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 507 4.590 13.988 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 507 3.292 11.513 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.404 10.873 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 507 2.148 12.050 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 507 1.083 12.543 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.961 13.431 0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.902 14.074 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 507 4.002 12.288 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.858 13.740 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 507 5.134 12.545 -3.431 1.00 0.00 H new ATOM 1296 N ASN A 508 4.440 15.326 0.205 1.00 0.00 N ATOM 1297 CA ASN A 508 4.287 16.147 1.400 1.00 0.00 C ATOM 1298 C ASN A 508 5.291 15.737 2.475 1.00 0.00 C ATOM 1299 O ASN A 508 4.952 15.657 3.657 1.00 0.00 O ATOM 1300 CB ASN A 508 2.862 16.033 1.944 1.00 0.00 C ATOM 1301 CG ASN A 508 2.348 17.348 2.498 1.00 0.00 C ATOM 1302 OD1 ASN A 508 1.725 18.134 1.785 1.00 0.00 O ATOM 1303 ND2 ASN A 508 2.609 17.591 3.777 1.00 0.00 N ATOM 0 H ASN A 508 4.671 15.849 -0.640 1.00 0.00 H new ATOM 0 HA ASN A 508 4.481 17.184 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 508 2.199 15.693 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.835 15.276 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 508 2.289 18.459 4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 508 3.129 16.910 4.330 1.00 0.00 H new ATOM 1310 N ASP A 509 6.527 15.474 2.057 1.00 0.00 N ATOM 1311 CA ASP A 509 7.583 15.068 2.981 1.00 0.00 C ATOM 1312 C ASP A 509 7.391 13.624 3.440 1.00 0.00 C ATOM 1313 O ASP A 509 8.022 13.182 4.400 1.00 0.00 O ATOM 1314 CB ASP A 509 7.623 16.001 4.195 1.00 0.00 C ATOM 1315 CG ASP A 509 9.027 16.186 4.735 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.793 15.198 4.749 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.362 17.317 5.144 1.00 0.00 O ATOM 0 H ASP A 509 6.822 15.535 1.083 1.00 0.00 H new ATOM 0 HA ASP A 509 8.532 15.135 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 509 7.212 16.972 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.984 15.598 4.981 1.00 0.00 H new ATOM 1322 N LYS A 510 6.520 12.891 2.750 1.00 0.00 N ATOM 1323 CA LYS A 510 6.255 11.498 3.093 1.00 0.00 C ATOM 1324 C LYS A 510 6.682 10.572 1.964 1.00 0.00 C ATOM 1325 O LYS A 510 6.330 10.792 0.807 1.00 0.00 O ATOM 1326 CB LYS A 510 4.771 11.292 3.389 1.00 0.00 C ATOM 1327 CG LYS A 510 4.478 9.976 4.091 1.00 0.00 C ATOM 1328 CD LYS A 510 4.437 10.144 5.603 1.00 0.00 C ATOM 1329 CE LYS A 510 5.709 10.791 6.131 1.00 0.00 C ATOM 1330 NZ LYS A 510 6.890 9.896 5.985 1.00 0.00 N ATOM 0 H LYS A 510 5.988 13.238 1.952 1.00 0.00 H new ATOM 0 HA LYS A 510 6.835 11.258 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.413 12.114 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.212 11.330 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.524 9.582 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.241 9.244 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.577 10.754 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.301 9.170 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 510 5.891 11.723 5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.576 11.048 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 7.707 10.450 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 7.111 9.461 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 6.677 9.151 5.291 1.00 0.00 H new ATOM 1344 N MET A 511 7.438 9.532 2.303 1.00 0.00 N ATOM 1345 CA MET A 511 7.903 8.584 1.301 1.00 0.00 C ATOM 1346 C MET A 511 6.723 7.913 0.604 1.00 0.00 C ATOM 1347 O MET A 511 6.028 7.083 1.190 1.00 0.00 O ATOM 1348 CB MET A 511 8.803 7.528 1.946 1.00 0.00 C ATOM 1349 CG MET A 511 10.217 7.512 1.389 1.00 0.00 C ATOM 1350 SD MET A 511 10.409 6.363 0.013 1.00 0.00 S ATOM 1351 CE MET A 511 9.107 6.926 -1.081 1.00 0.00 C ATOM 0 H MET A 511 7.739 9.327 3.256 1.00 0.00 H new ATOM 0 HA MET A 511 8.479 9.131 0.555 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.847 7.707 3.020 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.354 6.545 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.485 8.516 1.059 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.913 7.241 2.183 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.334 6.623 -2.103 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.158 6.486 -0.774 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.035 8.013 -1.032 1.00 0.00 H new ATOM 1361 N HIS A 512 6.515 8.278 -0.654 1.00 0.00 N ATOM 1362 CA HIS A 512 5.437 7.726 -1.456 1.00 0.00 C ATOM 1363 C HIS A 512 5.985 7.079 -2.721 1.00 0.00 C ATOM 1364 O HIS A 512 7.068 7.425 -3.192 1.00 0.00 O ATOM 1365 CB HIS A 512 4.431 8.816 -1.832 1.00 0.00 C ATOM 1366 CG HIS A 512 3.393 9.067 -0.784 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.686 9.578 0.462 1.00 0.00 N ATOM 1368 CD2 HIS A 512 2.051 8.881 -0.807 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.571 9.695 1.161 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.566 9.280 0.414 1.00 0.00 N ATOM 0 H HIS A 512 7.089 8.964 -1.144 1.00 0.00 H new ATOM 0 HA HIS A 512 4.931 6.967 -0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.970 9.743 -2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.935 8.535 -2.761 1.00 0.00 H new ATOM 0 HD1 HIS A 512 4.618 9.827 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 512 1.472 8.492 -1.631 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.495 10.067 2.172 1.00 0.00 H new ATOM 1379 N PHE A 513 5.229 6.142 -3.265 1.00 0.00 N ATOM 1380 CA PHE A 513 5.624 5.440 -4.479 1.00 0.00 C ATOM 1381 C PHE A 513 4.443 5.368 -5.440 1.00 0.00 C ATOM 1382 O PHE A 513 3.374 4.881 -5.076 1.00 0.00 O ATOM 1383 CB PHE A 513 6.095 4.034 -4.121 1.00 0.00 C ATOM 1384 CG PHE A 513 5.262 3.408 -3.041 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.046 2.826 -3.343 1.00 0.00 C ATOM 1386 CD2 PHE A 513 5.686 3.421 -1.722 1.00 0.00 C ATOM 1387 CE1 PHE A 513 3.266 2.269 -2.357 1.00 0.00 C ATOM 1388 CE2 PHE A 513 4.909 2.858 -0.727 1.00 0.00 C ATOM 1389 CZ PHE A 513 3.697 2.282 -1.047 1.00 0.00 C ATOM 0 H PHE A 513 4.331 5.846 -2.884 1.00 0.00 H new ATOM 0 HA PHE A 513 6.439 5.979 -4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.063 3.406 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.135 4.074 -3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.703 2.808 -4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 513 6.633 3.875 -1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 513 2.316 1.821 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.250 2.869 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 513 3.086 1.842 -0.273 1.00 0.00 H new ATOM 1399 N SER A 514 4.622 5.869 -6.659 1.00 0.00 N ATOM 1400 CA SER A 514 3.539 5.861 -7.633 1.00 0.00 C ATOM 1401 C SER A 514 3.957 6.486 -8.957 1.00 0.00 C ATOM 1402 O SER A 514 5.006 7.123 -9.063 1.00 0.00 O ATOM 1403 CB SER A 514 2.335 6.610 -7.075 1.00 0.00 C ATOM 1404 OG SER A 514 1.144 5.862 -7.246 1.00 0.00 O ATOM 0 H SER A 514 5.494 6.280 -6.991 1.00 0.00 H new ATOM 0 HA SER A 514 3.278 4.820 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.490 6.816 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.238 7.573 -7.576 1.00 0.00 H new ATOM 0 HG SER A 514 0.710 5.734 -6.377 1.00 0.00 H new ATOM 1410 N LEU A 515 3.099 6.317 -9.957 1.00 0.00 N ATOM 1411 CA LEU A 515 3.324 6.873 -11.273 1.00 0.00 C ATOM 1412 C LEU A 515 2.212 7.844 -11.606 1.00 0.00 C ATOM 1413 O LEU A 515 1.196 7.898 -10.911 1.00 0.00 O ATOM 1414 CB LEU A 515 3.431 5.779 -12.348 1.00 0.00 C ATOM 1415 CG LEU A 515 2.134 5.042 -12.695 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.531 4.402 -11.466 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.142 5.996 -13.328 1.00 0.00 C ATOM 0 H LEU A 515 2.230 5.790 -9.871 1.00 0.00 H new ATOM 0 HA LEU A 515 4.278 7.401 -11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.822 6.231 -13.259 1.00 0.00 H new ATOM 0 HB3 LEU A 515 4.165 5.044 -12.017 1.00 0.00 H new ATOM 0 HG LEU A 515 2.372 4.253 -13.409 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.611 3.885 -11.739 1.00 0.00 H new ATOM 0 HD12 LEU A 515 2.237 3.687 -11.044 1.00 0.00 H new ATOM 0 HD13 LEU A 515 1.309 5.172 -10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.225 5.459 -13.570 1.00 0.00 H new ATOM 0 HD22 LEU A 515 0.917 6.803 -12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.569 6.413 -14.240 1.00 0.00 H new ATOM 1429 N LYS A 516 2.393 8.601 -12.671 1.00 0.00 N ATOM 1430 CA LYS A 516 1.383 9.552 -13.082 1.00 0.00 C ATOM 1431 C LYS A 516 1.148 9.489 -14.583 1.00 0.00 C ATOM 1432 O LYS A 516 1.967 9.953 -15.376 1.00 0.00 O ATOM 1433 CB LYS A 516 1.751 10.969 -12.650 1.00 0.00 C ATOM 1434 CG LYS A 516 3.078 11.050 -11.932 1.00 0.00 C ATOM 1435 CD LYS A 516 4.225 10.763 -12.880 1.00 0.00 C ATOM 1436 CE LYS A 516 5.347 10.002 -12.192 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.553 10.852 -11.989 1.00 0.00 N ATOM 0 H LYS A 516 3.224 8.576 -13.262 1.00 0.00 H new ATOM 0 HA LYS A 516 0.453 9.280 -12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.782 11.613 -13.529 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.969 11.357 -11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 516 3.200 12.042 -11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 516 3.094 10.336 -11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.860 10.184 -13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.612 11.701 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 516 4.997 9.633 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 516 5.614 9.130 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 7.294 10.296 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.903 11.184 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.305 11.671 -11.397 1.00 0.00 H new ATOM 1451 N GLU A 517 0.016 8.907 -14.962 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.348 8.771 -16.359 1.00 0.00 C ATOM 1453 C GLU A 517 -0.505 10.137 -17.019 1.00 0.00 C ATOM 1454 O GLU A 517 -0.267 11.154 -16.335 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.649 7.979 -16.478 1.00 0.00 C ATOM 1456 CG GLU A 517 -2.708 8.379 -15.463 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.114 8.067 -15.933 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -4.393 8.255 -17.136 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -4.937 7.634 -15.100 1.00 0.00 O ATOM 1460 OXT GLU A 517 -0.862 10.179 -18.216 1.00 0.00 O ATOM 0 H GLU A 517 -0.668 8.520 -14.312 1.00 0.00 H new ATOM 0 HA GLU A 517 0.451 8.236 -16.873 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.053 8.111 -17.482 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -1.429 6.918 -16.360 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -2.520 7.860 -14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.626 9.447 -15.259 1.00 0.00 H new TER 1467 GLU A 517