USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 304 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 NoAdj-H: A 699 HIS HE2 : A 699 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 703 HIS HE2 : A 703 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 670 SER OG : rot 10:sc= 0.802 USER MOD Single : A 671 SER OG : rot 180:sc= 0 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 SER OG : rot 180:sc= 0 USER MOD Single : A 676 THR OG1 : rot 180:sc= 0 USER MOD Single : A 679 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00545) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 682 GLN : amide:sc= -3.57! C(o=-3.6!,f=-3.4!) USER MOD Single : A 684 ASN : amide:sc= -0.0263 K(o=-0.026,f=-2.8!) USER MOD Single : A 688 LYS NZ :NH3+ -150:sc= 0.0104 (180deg=0) USER MOD Single : A 691 SER OG : rot 180:sc= 0 USER MOD Single : A 692 GLN : amide:sc=-0.00515 K(o=-0.0052,f=-0.83) USER MOD Single : A 693 THR OG1 : rot 180:sc= 0 USER MOD Single : A 694 SER OG : rot 180:sc= 0 USER MOD Single : A 695 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0582) USER MOD Single : A 700 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.3!) USER MOD Single : A 704 THR OG1 : rot 180:sc= 0 USER MOD Single : A 707 LYS NZ :NH3+ -119:sc= -0.0395 (180deg=-1.26!) USER MOD Single : A 709 SER OG : rot 37:sc= 0.024 USER MOD Single : A 712 SER OG : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 47:sc= 0.236 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 669 -25.012 20.868 1.972 1.00 0.00 N ATOM 2 CA GLY A 669 -24.049 20.082 2.721 1.00 0.00 C ATOM 3 C GLY A 669 -23.274 20.916 3.722 1.00 0.00 C ATOM 4 O GLY A 669 -23.531 22.110 3.877 1.00 0.00 O ATOM 0 HA2 GLY A 669 -24.568 19.280 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -23.352 19.611 2.028 1.00 0.00 H new ATOM 8 N SER A 670 -22.324 20.285 4.405 1.00 0.00 N ATOM 9 CA SER A 670 -21.513 20.975 5.402 1.00 0.00 C ATOM 10 C SER A 670 -20.033 20.906 5.039 1.00 0.00 C ATOM 11 O SER A 670 -19.446 19.826 4.980 1.00 0.00 O ATOM 12 CB SER A 670 -21.740 20.365 6.786 1.00 0.00 C ATOM 13 OG SER A 670 -21.135 19.087 6.885 1.00 0.00 O ATOM 0 H SER A 670 -22.097 19.298 4.286 1.00 0.00 H new ATOM 0 HA SER A 670 -21.816 22.022 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 670 -21.330 21.025 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 670 -22.809 20.281 6.979 1.00 0.00 H new ATOM 0 HG SER A 670 -20.567 18.932 6.102 1.00 0.00 H new ATOM 19 N SER A 671 -19.435 22.068 4.797 1.00 0.00 N ATOM 20 CA SER A 671 -18.024 22.141 4.437 1.00 0.00 C ATOM 21 C SER A 671 -17.139 22.004 5.672 1.00 0.00 C ATOM 22 O SER A 671 -17.039 22.924 6.483 1.00 0.00 O ATOM 23 CB SER A 671 -17.725 23.463 3.726 1.00 0.00 C ATOM 24 OG SER A 671 -18.006 23.371 2.340 1.00 0.00 O ATOM 0 H SER A 671 -19.906 22.972 4.844 1.00 0.00 H new ATOM 0 HA SER A 671 -17.804 21.314 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 671 -18.321 24.261 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 671 -16.678 23.729 3.871 1.00 0.00 H new ATOM 0 HG SER A 671 -17.809 24.228 1.909 1.00 0.00 H new ATOM 30 N GLY A 672 -16.499 20.847 5.809 1.00 0.00 N ATOM 31 CA GLY A 672 -15.631 20.609 6.947 1.00 0.00 C ATOM 32 C GLY A 672 -15.217 19.156 7.067 1.00 0.00 C ATOM 33 O GLY A 672 -15.237 18.585 8.158 1.00 0.00 O ATOM 0 H GLY A 672 -16.566 20.070 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -14.740 21.231 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -16.142 20.914 7.860 1.00 0.00 H new ATOM 37 N SER A 673 -14.842 18.554 5.942 1.00 0.00 N ATOM 38 CA SER A 673 -14.427 17.157 5.925 1.00 0.00 C ATOM 39 C SER A 673 -12.906 17.042 5.894 1.00 0.00 C ATOM 40 O SER A 673 -12.230 17.793 5.191 1.00 0.00 O ATOM 41 CB SER A 673 -15.028 16.439 4.715 1.00 0.00 C ATOM 42 OG SER A 673 -16.410 16.725 4.587 1.00 0.00 O ATOM 0 H SER A 673 -14.817 19.012 5.031 1.00 0.00 H new ATOM 0 HA SER A 673 -14.791 16.685 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 673 -14.505 16.746 3.809 1.00 0.00 H new ATOM 0 HB3 SER A 673 -14.884 15.363 4.818 1.00 0.00 H new ATOM 0 HG SER A 673 -16.770 16.256 3.806 1.00 0.00 H new ATOM 48 N SER A 674 -12.374 16.097 6.662 1.00 0.00 N ATOM 49 CA SER A 674 -10.933 15.886 6.727 1.00 0.00 C ATOM 50 C SER A 674 -10.417 15.256 5.436 1.00 0.00 C ATOM 51 O SER A 674 -10.412 14.035 5.287 1.00 0.00 O ATOM 52 CB SER A 674 -10.580 14.994 7.919 1.00 0.00 C ATOM 53 OG SER A 674 -11.166 15.482 9.113 1.00 0.00 O ATOM 0 H SER A 674 -12.920 15.465 7.248 1.00 0.00 H new ATOM 0 HA SER A 674 -10.454 16.857 6.854 1.00 0.00 H new ATOM 0 HB2 SER A 674 -10.924 13.977 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 674 -9.497 14.948 8.034 1.00 0.00 H new ATOM 0 HG SER A 674 -10.927 14.893 9.859 1.00 0.00 H new ATOM 59 N GLY A 675 -9.984 16.101 4.506 1.00 0.00 N ATOM 60 CA GLY A 675 -9.472 15.611 3.239 1.00 0.00 C ATOM 61 C GLY A 675 -7.962 15.708 3.147 1.00 0.00 C ATOM 62 O GLY A 675 -7.426 16.322 2.224 1.00 0.00 O ATOM 0 H GLY A 675 -9.978 17.116 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -9.775 14.573 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -9.920 16.181 2.425 1.00 0.00 H new ATOM 66 N THR A 676 -7.272 15.101 4.108 1.00 0.00 N ATOM 67 CA THR A 676 -5.815 15.124 4.134 1.00 0.00 C ATOM 68 C THR A 676 -5.254 13.821 4.692 1.00 0.00 C ATOM 69 O THR A 676 -5.891 13.160 5.510 1.00 0.00 O ATOM 70 CB THR A 676 -5.286 16.300 4.977 1.00 0.00 C ATOM 71 OG1 THR A 676 -3.855 16.317 4.950 1.00 0.00 O ATOM 72 CG2 THR A 676 -5.771 16.196 6.415 1.00 0.00 C ATOM 0 H THR A 676 -7.699 14.587 4.879 1.00 0.00 H new ATOM 0 HA THR A 676 -5.483 15.247 3.103 1.00 0.00 H new ATOM 0 HB THR A 676 -5.668 17.227 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 676 -3.527 17.068 5.487 1.00 0.00 H new ATOM 0 HG21 THR A 676 -5.385 17.037 6.991 1.00 0.00 H new ATOM 0 HG22 THR A 676 -6.861 16.213 6.434 1.00 0.00 H new ATOM 0 HG23 THR A 676 -5.415 15.263 6.852 1.00 0.00 H new ATOM 80 N GLY A 677 -4.056 13.458 4.244 1.00 0.00 N ATOM 81 CA GLY A 677 -3.430 12.235 4.710 1.00 0.00 C ATOM 82 C GLY A 677 -3.750 11.046 3.826 1.00 0.00 C ATOM 83 O GLY A 677 -4.647 11.111 2.987 1.00 0.00 O ATOM 0 H GLY A 677 -3.508 13.989 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -2.350 12.375 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -3.760 12.026 5.728 1.00 0.00 H new ATOM 87 N GLY A 678 -3.013 9.955 4.014 1.00 0.00 N ATOM 88 CA GLY A 678 -3.238 8.762 3.219 1.00 0.00 C ATOM 89 C GLY A 678 -1.982 7.930 3.054 1.00 0.00 C ATOM 90 O GLY A 678 -0.892 8.468 2.855 1.00 0.00 O ATOM 0 H GLY A 678 -2.265 9.876 4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -4.012 8.156 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -3.612 9.049 2.236 1.00 0.00 H new ATOM 94 N LYS A 679 -2.131 6.612 3.139 1.00 0.00 N ATOM 95 CA LYS A 679 -1.001 5.703 2.999 1.00 0.00 C ATOM 96 C LYS A 679 -1.472 4.304 2.612 1.00 0.00 C ATOM 97 O LYS A 679 -1.396 3.358 3.396 1.00 0.00 O ATOM 98 CB LYS A 679 -0.204 5.641 4.304 1.00 0.00 C ATOM 99 CG LYS A 679 -1.069 5.426 5.534 1.00 0.00 C ATOM 100 CD LYS A 679 -0.254 5.525 6.813 1.00 0.00 C ATOM 101 CE LYS A 679 -0.072 6.971 7.248 1.00 0.00 C ATOM 102 NZ LYS A 679 -1.294 7.509 7.907 1.00 0.00 N ATOM 0 H LYS A 679 -3.025 6.150 3.304 1.00 0.00 H new ATOM 0 HA LYS A 679 -0.358 6.084 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 679 0.525 4.833 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.357 6.568 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -1.868 6.167 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -1.544 4.447 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -0.750 4.965 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 679 0.722 5.064 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 679 0.772 7.040 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 679 0.172 7.584 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -1.349 8.536 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -2.136 7.052 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -1.251 7.316 8.928 1.00 0.00 H new ATOM 116 N PRO A 680 -1.969 4.168 1.373 1.00 0.00 N ATOM 117 CA PRO A 680 -2.460 2.888 0.854 1.00 0.00 C ATOM 118 C PRO A 680 -1.333 1.888 0.617 1.00 0.00 C ATOM 119 O PRO A 680 -1.433 0.723 1.003 1.00 0.00 O ATOM 120 CB PRO A 680 -3.120 3.274 -0.472 1.00 0.00 C ATOM 121 CG PRO A 680 -2.432 4.528 -0.887 1.00 0.00 C ATOM 122 CD PRO A 680 -2.089 5.253 0.385 1.00 0.00 C ATOM 0 HA PRO A 680 -3.134 2.395 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -2.997 2.489 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.191 3.432 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.534 4.308 -1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -3.078 5.136 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.160 5.814 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.865 5.966 0.663 1.00 0.00 H new ATOM 130 N TYR A 681 -0.262 2.350 -0.018 1.00 0.00 N ATOM 131 CA TYR A 681 0.883 1.495 -0.307 1.00 0.00 C ATOM 132 C TYR A 681 2.070 1.854 0.581 1.00 0.00 C ATOM 133 O TYR A 681 2.920 1.012 0.869 1.00 0.00 O ATOM 134 CB TYR A 681 1.278 1.618 -1.780 1.00 0.00 C ATOM 135 CG TYR A 681 1.615 3.030 -2.201 1.00 0.00 C ATOM 136 CD1 TYR A 681 2.867 3.574 -1.940 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.681 3.821 -2.860 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.178 4.865 -2.322 1.00 0.00 C ATOM 139 CE2 TYR A 681 0.985 5.112 -3.247 1.00 0.00 C ATOM 140 CZ TYR A 681 2.234 5.629 -2.975 1.00 0.00 C ATOM 141 OH TYR A 681 2.541 6.915 -3.359 1.00 0.00 O ATOM 0 H TYR A 681 -0.163 3.312 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 681 0.596 0.464 -0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 681 2.138 0.976 -1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.460 1.249 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.609 2.978 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.299 3.420 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.155 5.273 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.248 5.713 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 681 1.768 7.316 -3.808 1.00 0.00 H new ATOM 151 N GLN A 682 2.118 3.110 1.013 1.00 0.00 N ATOM 152 CA GLN A 682 3.200 3.582 1.869 1.00 0.00 C ATOM 153 C GLN A 682 3.373 2.671 3.080 1.00 0.00 C ATOM 154 O GLN A 682 2.417 2.398 3.806 1.00 0.00 O ATOM 155 CB GLN A 682 2.927 5.015 2.329 1.00 0.00 C ATOM 156 CG GLN A 682 3.901 5.511 3.386 1.00 0.00 C ATOM 157 CD GLN A 682 3.827 7.011 3.590 1.00 0.00 C ATOM 158 OE1 GLN A 682 2.813 7.641 3.287 1.00 0.00 O ATOM 159 NE2 GLN A 682 4.904 7.592 4.106 1.00 0.00 N ATOM 0 H GLN A 682 1.421 3.819 0.785 1.00 0.00 H new ATOM 0 HA GLN A 682 4.123 3.564 1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 682 2.971 5.679 1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 682 1.913 5.074 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 682 3.692 5.009 4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 682 4.916 5.237 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 682 5.722 7.031 4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 682 4.913 8.599 4.266 1.00 0.00 H new ATOM 168 N CYS A 683 4.599 2.202 3.291 1.00 0.00 N ATOM 169 CA CYS A 683 4.898 1.320 4.412 1.00 0.00 C ATOM 170 C CYS A 683 4.402 1.922 5.724 1.00 0.00 C ATOM 171 O CYS A 683 4.757 3.046 6.077 1.00 0.00 O ATOM 172 CB CYS A 683 6.403 1.058 4.495 1.00 0.00 C ATOM 173 SG CYS A 683 6.870 -0.216 5.711 1.00 0.00 S ATOM 0 H CYS A 683 5.401 2.419 2.700 1.00 0.00 H new ATOM 0 HA CYS A 683 4.380 0.375 4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.763 0.756 3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.910 1.989 4.748 1.00 0.00 H new ATOM 178 N ASN A 684 3.580 1.164 6.443 1.00 0.00 N ATOM 179 CA ASN A 684 3.035 1.622 7.716 1.00 0.00 C ATOM 180 C ASN A 684 3.782 0.990 8.887 1.00 0.00 C ATOM 181 O ASN A 684 3.833 1.552 9.980 1.00 0.00 O ATOM 182 CB ASN A 684 1.545 1.287 7.807 1.00 0.00 C ATOM 183 CG ASN A 684 0.825 1.491 6.488 1.00 0.00 C ATOM 184 OD1 ASN A 684 0.453 2.611 6.138 1.00 0.00 O ATOM 185 ND2 ASN A 684 0.626 0.405 5.749 1.00 0.00 N ATOM 0 H ASN A 684 3.277 0.230 6.166 1.00 0.00 H new ATOM 0 HA ASN A 684 3.161 2.703 7.768 1.00 0.00 H new ATOM 0 HB2 ASN A 684 1.427 0.251 8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.081 1.911 8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 684 0.147 0.480 4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 684 0.952 -0.503 6.079 1.00 0.00 H new ATOM 192 N GLU A 685 4.361 -0.183 8.648 1.00 0.00 N ATOM 193 CA GLU A 685 5.105 -0.892 9.683 1.00 0.00 C ATOM 194 C GLU A 685 6.150 0.018 10.321 1.00 0.00 C ATOM 195 O GLU A 685 6.289 0.060 11.544 1.00 0.00 O ATOM 196 CB GLU A 685 5.783 -2.132 9.096 1.00 0.00 C ATOM 197 CG GLU A 685 4.838 -3.304 8.893 1.00 0.00 C ATOM 198 CD GLU A 685 4.578 -4.072 10.175 1.00 0.00 C ATOM 199 OE1 GLU A 685 5.515 -4.201 10.990 1.00 0.00 O ATOM 200 OE2 GLU A 685 3.437 -4.543 10.362 1.00 0.00 O ATOM 0 H GLU A 685 4.329 -0.662 7.748 1.00 0.00 H new ATOM 0 HA GLU A 685 4.400 -1.203 10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.234 -1.870 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 685 6.593 -2.440 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 685 3.892 -2.938 8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 685 5.258 -3.980 8.148 1.00 0.00 H new ATOM 207 N CYS A 686 6.883 0.746 9.485 1.00 0.00 N ATOM 208 CA CYS A 686 7.916 1.655 9.966 1.00 0.00 C ATOM 209 C CYS A 686 7.577 3.100 9.611 1.00 0.00 C ATOM 210 O CYS A 686 8.005 4.034 10.289 1.00 0.00 O ATOM 211 CB CYS A 686 9.274 1.278 9.370 1.00 0.00 C ATOM 212 SG CYS A 686 9.399 1.550 7.574 1.00 0.00 S ATOM 0 H CYS A 686 6.780 0.724 8.470 1.00 0.00 H new ATOM 0 HA CYS A 686 7.965 1.567 11.051 1.00 0.00 H new ATOM 0 HB2 CYS A 686 10.051 1.857 9.869 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.473 0.228 9.582 1.00 0.00 H new ATOM 217 N GLY A 687 6.803 3.277 8.544 1.00 0.00 N ATOM 218 CA GLY A 687 6.419 4.610 8.118 1.00 0.00 C ATOM 219 C GLY A 687 7.394 5.203 7.120 1.00 0.00 C ATOM 220 O GLY A 687 8.010 6.236 7.381 1.00 0.00 O ATOM 0 H GLY A 687 6.435 2.521 7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.425 4.573 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.354 5.262 8.989 1.00 0.00 H new ATOM 224 N LYS A 688 7.536 4.547 5.974 1.00 0.00 N ATOM 225 CA LYS A 688 8.444 5.014 4.932 1.00 0.00 C ATOM 226 C LYS A 688 7.777 4.952 3.562 1.00 0.00 C ATOM 227 O LYS A 688 7.183 3.938 3.195 1.00 0.00 O ATOM 228 CB LYS A 688 9.723 4.174 4.927 1.00 0.00 C ATOM 229 CG LYS A 688 10.902 4.866 4.264 1.00 0.00 C ATOM 230 CD LYS A 688 12.153 4.005 4.313 1.00 0.00 C ATOM 231 CE LYS A 688 13.397 4.811 3.973 1.00 0.00 C ATOM 232 NZ LYS A 688 13.489 5.101 2.516 1.00 0.00 N ATOM 0 H LYS A 688 7.034 3.690 5.742 1.00 0.00 H new ATOM 0 HA LYS A 688 8.699 6.052 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 688 9.989 3.926 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.528 3.233 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 688 10.656 5.093 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 688 11.094 5.817 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 688 12.259 3.572 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 688 12.053 3.175 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 688 13.386 5.748 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 688 14.283 4.262 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 14.489 5.171 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 13.034 4.335 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 13.008 6.000 2.310 1.00 0.00 H new ATOM 246 N ALA A 689 7.880 6.042 2.808 1.00 0.00 N ATOM 247 CA ALA A 689 7.290 6.109 1.477 1.00 0.00 C ATOM 248 C ALA A 689 8.367 6.106 0.398 1.00 0.00 C ATOM 249 O ALA A 689 9.497 6.535 0.634 1.00 0.00 O ATOM 250 CB ALA A 689 6.416 7.348 1.349 1.00 0.00 C ATOM 0 H ALA A 689 8.367 6.891 3.097 1.00 0.00 H new ATOM 0 HA ALA A 689 6.670 5.224 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 689 5.982 7.385 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 689 5.618 7.308 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 689 7.021 8.239 1.515 1.00 0.00 H new ATOM 256 N PHE A 690 8.011 5.619 -0.786 1.00 0.00 N ATOM 257 CA PHE A 690 8.948 5.559 -1.901 1.00 0.00 C ATOM 258 C PHE A 690 8.354 6.209 -3.147 1.00 0.00 C ATOM 259 O PHE A 690 7.152 6.464 -3.214 1.00 0.00 O ATOM 260 CB PHE A 690 9.325 4.106 -2.201 1.00 0.00 C ATOM 261 CG PHE A 690 10.150 3.466 -1.121 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.561 3.039 0.058 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.514 3.291 -1.286 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.317 2.449 1.053 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.276 2.702 -0.294 1.00 0.00 C ATOM 266 CZ PHE A 690 11.676 2.281 0.877 1.00 0.00 C ATOM 0 H PHE A 690 7.080 5.260 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 690 9.845 6.109 -1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.414 3.525 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 690 9.878 4.069 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.498 3.169 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 690 11.988 3.618 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.845 2.120 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.339 2.571 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.269 1.821 1.654 1.00 0.00 H new ATOM 276 N SER A 691 9.206 6.476 -4.132 1.00 0.00 N ATOM 277 CA SER A 691 8.768 7.101 -5.374 1.00 0.00 C ATOM 278 C SER A 691 7.779 6.204 -6.114 1.00 0.00 C ATOM 279 O SER A 691 6.743 6.666 -6.591 1.00 0.00 O ATOM 280 CB SER A 691 9.970 7.401 -6.271 1.00 0.00 C ATOM 281 OG SER A 691 10.763 8.443 -5.728 1.00 0.00 O ATOM 0 H SER A 691 10.204 6.269 -4.094 1.00 0.00 H new ATOM 0 HA SER A 691 8.268 8.037 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.575 6.502 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 691 9.624 7.683 -7.266 1.00 0.00 H new ATOM 0 HG SER A 691 11.526 8.615 -6.318 1.00 0.00 H new ATOM 287 N GLN A 692 8.108 4.919 -6.204 1.00 0.00 N ATOM 288 CA GLN A 692 7.250 3.958 -6.886 1.00 0.00 C ATOM 289 C GLN A 692 6.938 2.770 -5.982 1.00 0.00 C ATOM 290 O GLN A 692 7.588 2.569 -4.955 1.00 0.00 O ATOM 291 CB GLN A 692 7.917 3.471 -8.174 1.00 0.00 C ATOM 292 CG GLN A 692 8.380 4.599 -9.083 1.00 0.00 C ATOM 293 CD GLN A 692 8.856 4.102 -10.433 1.00 0.00 C ATOM 294 OE1 GLN A 692 8.320 3.135 -10.976 1.00 0.00 O ATOM 295 NE2 GLN A 692 9.868 4.762 -10.984 1.00 0.00 N ATOM 0 H GLN A 692 8.962 4.520 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 692 6.314 4.458 -7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 692 8.774 2.848 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 692 7.216 2.840 -8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 692 7.561 5.303 -9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 692 9.188 5.145 -8.596 1.00 0.00 H new ATOM 0 HE21 GLN A 692 10.282 5.558 -10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 692 10.231 4.473 -11.892 1.00 0.00 H new ATOM 304 N THR A 693 5.939 1.984 -6.369 1.00 0.00 N ATOM 305 CA THR A 693 5.539 0.817 -5.593 1.00 0.00 C ATOM 306 C THR A 693 6.515 -0.337 -5.792 1.00 0.00 C ATOM 307 O THR A 693 6.647 -1.206 -4.930 1.00 0.00 O ATOM 308 CB THR A 693 4.122 0.347 -5.975 1.00 0.00 C ATOM 309 OG1 THR A 693 4.085 -0.024 -7.357 1.00 0.00 O ATOM 310 CG2 THR A 693 3.099 1.441 -5.710 1.00 0.00 C ATOM 0 H THR A 693 5.391 2.135 -7.216 1.00 0.00 H new ATOM 0 HA THR A 693 5.545 1.118 -4.545 1.00 0.00 H new ATOM 0 HB THR A 693 3.872 -0.518 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 693 3.182 -0.323 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 693 2.106 1.086 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.109 1.700 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.347 2.322 -6.301 1.00 0.00 H new ATOM 318 N SER A 694 7.199 -0.337 -6.931 1.00 0.00 N ATOM 319 CA SER A 694 8.163 -1.387 -7.244 1.00 0.00 C ATOM 320 C SER A 694 9.195 -1.526 -6.129 1.00 0.00 C ATOM 321 O SER A 694 9.234 -2.536 -5.426 1.00 0.00 O ATOM 322 CB SER A 694 8.864 -1.085 -8.570 1.00 0.00 C ATOM 323 OG SER A 694 7.970 -1.213 -9.661 1.00 0.00 O ATOM 0 H SER A 694 7.104 0.378 -7.653 1.00 0.00 H new ATOM 0 HA SER A 694 7.622 -2.329 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 694 9.272 -0.075 -8.547 1.00 0.00 H new ATOM 0 HB3 SER A 694 9.705 -1.765 -8.703 1.00 0.00 H new ATOM 0 HG SER A 694 8.442 -1.013 -10.496 1.00 0.00 H new ATOM 329 N LYS A 695 10.030 -0.504 -5.974 1.00 0.00 N ATOM 330 CA LYS A 695 11.063 -0.510 -4.945 1.00 0.00 C ATOM 331 C LYS A 695 10.455 -0.743 -3.565 1.00 0.00 C ATOM 332 O LYS A 695 11.047 -1.417 -2.721 1.00 0.00 O ATOM 333 CB LYS A 695 11.832 0.814 -4.958 1.00 0.00 C ATOM 334 CG LYS A 695 13.028 0.813 -5.893 1.00 0.00 C ATOM 335 CD LYS A 695 14.206 0.064 -5.292 1.00 0.00 C ATOM 336 CE LYS A 695 15.044 0.967 -4.401 1.00 0.00 C ATOM 337 NZ LYS A 695 15.885 1.904 -5.195 1.00 0.00 N ATOM 0 H LYS A 695 10.011 0.339 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 695 11.752 -1.326 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 695 11.154 1.616 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 695 12.172 1.037 -3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 695 12.749 0.353 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 695 13.322 1.840 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 695 13.842 -0.784 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 695 14.828 -0.339 -6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 695 14.389 1.537 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 695 15.683 0.356 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 16.573 2.369 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 16.392 1.375 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 15.279 2.623 -5.639 1.00 0.00 H new ATOM 351 N LEU A 696 9.271 -0.183 -3.343 1.00 0.00 N ATOM 352 CA LEU A 696 8.582 -0.332 -2.066 1.00 0.00 C ATOM 353 C LEU A 696 8.367 -1.804 -1.731 1.00 0.00 C ATOM 354 O LEU A 696 8.610 -2.237 -0.606 1.00 0.00 O ATOM 355 CB LEU A 696 7.238 0.397 -2.101 1.00 0.00 C ATOM 356 CG LEU A 696 6.282 0.098 -0.946 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.849 0.620 0.365 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.913 0.706 -1.216 1.00 0.00 C ATOM 0 H LEU A 696 8.768 0.378 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 696 9.208 0.110 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.430 1.470 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.736 0.147 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 696 6.168 -0.983 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 696 6.155 0.398 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.806 0.138 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.993 1.698 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.245 0.483 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 696 5.010 1.786 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.502 0.284 -2.133 1.00 0.00 H new ATOM 370 N ALA A 697 7.910 -2.569 -2.718 1.00 0.00 N ATOM 371 CA ALA A 697 7.666 -3.994 -2.529 1.00 0.00 C ATOM 372 C ALA A 697 8.903 -4.694 -1.976 1.00 0.00 C ATOM 373 O ALA A 697 8.794 -5.653 -1.211 1.00 0.00 O ATOM 374 CB ALA A 697 7.238 -4.634 -3.842 1.00 0.00 C ATOM 0 H ALA A 697 7.702 -2.226 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 697 6.861 -4.107 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.059 -5.698 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.323 -4.160 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.025 -4.503 -4.584 1.00 0.00 H new ATOM 380 N ARG A 698 10.076 -4.209 -2.367 1.00 0.00 N ATOM 381 CA ARG A 698 11.333 -4.790 -1.911 1.00 0.00 C ATOM 382 C ARG A 698 11.624 -4.392 -0.467 1.00 0.00 C ATOM 383 O ARG A 698 12.281 -5.128 0.271 1.00 0.00 O ATOM 384 CB ARG A 698 12.484 -4.344 -2.815 1.00 0.00 C ATOM 385 CG ARG A 698 12.624 -5.179 -4.078 1.00 0.00 C ATOM 386 CD ARG A 698 11.417 -5.020 -4.988 1.00 0.00 C ATOM 387 NE ARG A 698 10.374 -5.998 -4.690 1.00 0.00 N ATOM 388 CZ ARG A 698 10.424 -7.267 -5.079 1.00 0.00 C ATOM 389 NH1 ARG A 698 11.461 -7.710 -5.777 1.00 0.00 N ATOM 390 NH2 ARG A 698 9.436 -8.097 -4.768 1.00 0.00 N ATOM 0 H ARG A 698 10.183 -3.415 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 698 11.241 -5.875 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.333 -3.301 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.416 -4.392 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 698 13.526 -4.882 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 698 12.743 -6.229 -3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 698 11.012 -4.014 -4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 698 11.729 -5.128 -6.027 1.00 0.00 H new ATOM 0 HE ARG A 698 9.563 -5.690 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 698 12.223 -7.076 -6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 698 11.497 -8.685 -6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 698 8.638 -7.760 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 698 9.475 -9.071 -5.067 1.00 0.00 H new ATOM 404 N HIS A 699 11.130 -3.224 -0.070 1.00 0.00 N ATOM 405 CA HIS A 699 11.337 -2.728 1.287 1.00 0.00 C ATOM 406 C HIS A 699 10.554 -3.563 2.295 1.00 0.00 C ATOM 407 O HIS A 699 11.009 -3.783 3.418 1.00 0.00 O ATOM 408 CB HIS A 699 10.916 -1.261 1.386 1.00 0.00 C ATOM 409 CG HIS A 699 10.923 -0.729 2.786 1.00 0.00 C ATOM 410 ND1 HIS A 699 12.082 -0.487 3.493 1.00 0.00 N ATOM 411 CD2 HIS A 699 9.904 -0.391 3.609 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.775 -0.024 4.691 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.460 0.044 4.787 1.00 0.00 N ATOM 0 H HIS A 699 10.584 -2.603 -0.667 1.00 0.00 H new ATOM 0 HA HIS A 699 12.399 -2.810 1.520 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.586 -0.657 0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 699 9.915 -1.150 0.969 1.00 0.00 H new ATOM 0 HD1 HIS A 699 13.028 -0.641 3.145 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.850 -0.452 3.382 1.00 0.00 H new ATOM 0 HE1 HIS A 699 12.480 0.252 5.461 1.00 0.00 H new ATOM 421 N GLN A 700 9.376 -4.024 1.888 1.00 0.00 N ATOM 422 CA GLN A 700 8.531 -4.834 2.757 1.00 0.00 C ATOM 423 C GLN A 700 9.260 -6.097 3.203 1.00 0.00 C ATOM 424 O GLN A 700 8.916 -6.697 4.221 1.00 0.00 O ATOM 425 CB GLN A 700 7.233 -5.207 2.038 1.00 0.00 C ATOM 426 CG GLN A 700 6.368 -4.008 1.684 1.00 0.00 C ATOM 427 CD GLN A 700 4.891 -4.347 1.638 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.487 -5.461 1.976 1.00 0.00 O ATOM 429 NE2 GLN A 700 4.075 -3.387 1.219 1.00 0.00 N ATOM 0 H GLN A 700 8.985 -3.850 0.962 1.00 0.00 H new ATOM 0 HA GLN A 700 8.292 -4.244 3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.476 -5.751 1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.659 -5.885 2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.533 -3.217 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 700 6.677 -3.615 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 700 4.452 -2.479 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.071 -3.558 1.167 1.00 0.00 H new ATOM 438 N ARG A 701 10.268 -6.495 2.434 1.00 0.00 N ATOM 439 CA ARG A 701 11.045 -7.688 2.749 1.00 0.00 C ATOM 440 C ARG A 701 11.546 -7.645 4.189 1.00 0.00 C ATOM 441 O ARG A 701 11.403 -8.613 4.937 1.00 0.00 O ATOM 442 CB ARG A 701 12.228 -7.820 1.789 1.00 0.00 C ATOM 443 CG ARG A 701 11.829 -8.244 0.385 1.00 0.00 C ATOM 444 CD ARG A 701 11.515 -9.731 0.320 1.00 0.00 C ATOM 445 NE ARG A 701 10.962 -10.117 -0.975 1.00 0.00 N ATOM 446 CZ ARG A 701 10.274 -11.236 -1.176 1.00 0.00 C ATOM 447 NH1 ARG A 701 10.056 -12.074 -0.172 1.00 0.00 N ATOM 448 NH2 ARG A 701 9.802 -11.518 -2.384 1.00 0.00 N ATOM 0 H ARG A 701 10.566 -6.009 1.588 1.00 0.00 H new ATOM 0 HA ARG A 701 10.395 -8.556 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 701 12.750 -6.865 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 701 12.933 -8.547 2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 701 10.958 -7.673 0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 701 12.636 -8.011 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 701 12.424 -10.302 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 701 10.806 -9.987 1.108 1.00 0.00 H new ATOM 0 HE ARG A 701 11.112 -9.494 -1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 701 10.417 -11.861 0.758 1.00 0.00 H new ATOM 0 HH12 ARG A 701 9.528 -12.932 -0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 701 9.967 -10.876 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 701 9.274 -12.377 -2.537 1.00 0.00 H new ATOM 462 N VAL A 702 12.136 -6.517 4.572 1.00 0.00 N ATOM 463 CA VAL A 702 12.659 -6.348 5.922 1.00 0.00 C ATOM 464 C VAL A 702 11.587 -6.638 6.967 1.00 0.00 C ATOM 465 O VAL A 702 11.893 -7.036 8.092 1.00 0.00 O ATOM 466 CB VAL A 702 13.200 -4.922 6.140 1.00 0.00 C ATOM 467 CG1 VAL A 702 14.249 -4.583 5.092 1.00 0.00 C ATOM 468 CG2 VAL A 702 12.063 -3.912 6.115 1.00 0.00 C ATOM 0 H VAL A 702 12.264 -5.707 3.966 1.00 0.00 H new ATOM 0 HA VAL A 702 13.476 -7.060 6.036 1.00 0.00 H new ATOM 0 HB VAL A 702 13.674 -4.877 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.620 -3.572 5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 702 15.076 -5.289 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.804 -4.644 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 702 12.463 -2.910 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.559 -3.956 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 702 11.351 -4.146 6.907 1.00 0.00 H new ATOM 478 N HIS A 703 10.329 -6.436 6.588 1.00 0.00 N ATOM 479 CA HIS A 703 9.210 -6.677 7.492 1.00 0.00 C ATOM 480 C HIS A 703 8.683 -8.100 7.337 1.00 0.00 C ATOM 481 O HIS A 703 8.110 -8.666 8.268 1.00 0.00 O ATOM 482 CB HIS A 703 8.088 -5.673 7.227 1.00 0.00 C ATOM 483 CG HIS A 703 8.495 -4.248 7.444 1.00 0.00 C ATOM 484 ND1 HIS A 703 8.706 -3.707 8.695 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.731 -3.251 6.560 1.00 0.00 C ATOM 486 CE1 HIS A 703 9.053 -2.439 8.571 1.00 0.00 C ATOM 487 NE2 HIS A 703 9.076 -2.137 7.285 1.00 0.00 N ATOM 0 H HIS A 703 10.059 -6.106 5.661 1.00 0.00 H new ATOM 0 HA HIS A 703 9.567 -6.550 8.514 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.741 -5.791 6.200 1.00 0.00 H new ATOM 0 HB3 HIS A 703 7.244 -5.904 7.877 1.00 0.00 H new ATOM 0 HD1 HIS A 703 8.609 -4.208 9.578 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.661 -3.319 5.484 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.279 -1.764 9.383 1.00 0.00 H new ATOM 495 N THR A 704 8.881 -8.673 6.154 1.00 0.00 N ATOM 496 CA THR A 704 8.424 -10.029 5.876 1.00 0.00 C ATOM 497 C THR A 704 9.311 -10.706 4.837 1.00 0.00 C ATOM 498 O THR A 704 9.333 -10.310 3.673 1.00 0.00 O ATOM 499 CB THR A 704 6.967 -10.040 5.375 1.00 0.00 C ATOM 500 OG1 THR A 704 6.624 -11.343 4.893 1.00 0.00 O ATOM 501 CG2 THR A 704 6.768 -9.015 4.268 1.00 0.00 C ATOM 0 H THR A 704 9.355 -8.219 5.373 1.00 0.00 H new ATOM 0 HA THR A 704 8.482 -10.580 6.815 1.00 0.00 H new ATOM 0 HB THR A 704 6.317 -9.780 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 704 5.696 -11.341 4.578 1.00 0.00 H new ATOM 0 HG21 THR A 704 5.732 -9.041 3.930 1.00 0.00 H new ATOM 0 HG22 THR A 704 7.001 -8.020 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 704 7.428 -9.249 3.433 1.00 0.00 H new ATOM 509 N GLY A 705 10.042 -11.730 5.267 1.00 0.00 N ATOM 510 CA GLY A 705 10.921 -12.447 4.361 1.00 0.00 C ATOM 511 C GLY A 705 12.132 -13.026 5.065 1.00 0.00 C ATOM 512 O GLY A 705 12.113 -13.229 6.279 1.00 0.00 O ATOM 0 H GLY A 705 10.041 -12.076 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 705 10.364 -13.252 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 705 11.252 -11.773 3.571 1.00 0.00 H new ATOM 516 N GLU A 706 13.186 -13.294 4.302 1.00 0.00 N ATOM 517 CA GLU A 706 14.410 -13.857 4.861 1.00 0.00 C ATOM 518 C GLU A 706 14.136 -15.203 5.525 1.00 0.00 C ATOM 519 O GLU A 706 14.648 -15.490 6.608 1.00 0.00 O ATOM 520 CB GLU A 706 15.024 -12.890 5.876 1.00 0.00 C ATOM 521 CG GLU A 706 15.368 -11.531 5.291 1.00 0.00 C ATOM 522 CD GLU A 706 16.494 -11.600 4.276 1.00 0.00 C ATOM 523 OE1 GLU A 706 17.452 -12.367 4.506 1.00 0.00 O ATOM 524 OE2 GLU A 706 16.416 -10.888 3.254 1.00 0.00 O ATOM 0 H GLU A 706 13.218 -13.131 3.296 1.00 0.00 H new ATOM 0 HA GLU A 706 15.115 -14.012 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 706 14.327 -12.754 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 706 15.928 -13.337 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 706 14.482 -11.109 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 706 15.651 -10.854 6.097 1.00 0.00 H new ATOM 531 N LYS A 707 13.325 -16.026 4.869 1.00 0.00 N ATOM 532 CA LYS A 707 12.982 -17.342 5.393 1.00 0.00 C ATOM 533 C LYS A 707 12.320 -18.200 4.320 1.00 0.00 C ATOM 534 O LYS A 707 11.130 -18.511 4.386 1.00 0.00 O ATOM 535 CB LYS A 707 12.051 -17.207 6.600 1.00 0.00 C ATOM 536 CG LYS A 707 10.858 -16.300 6.349 1.00 0.00 C ATOM 537 CD LYS A 707 10.110 -15.994 7.635 1.00 0.00 C ATOM 538 CE LYS A 707 9.107 -17.087 7.970 1.00 0.00 C ATOM 539 NZ LYS A 707 9.745 -18.226 8.686 1.00 0.00 N ATOM 0 H LYS A 707 12.893 -15.804 3.972 1.00 0.00 H new ATOM 0 HA LYS A 707 13.904 -17.832 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 707 11.692 -18.196 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 707 12.620 -16.820 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 707 11.197 -15.369 5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 707 10.182 -16.775 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 707 10.821 -15.888 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 707 9.591 -15.040 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 707 8.310 -16.672 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 707 8.644 -17.449 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 9.638 -19.094 8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 10.756 -18.026 8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 9.287 -18.355 9.611 1.00 0.00 H new ATOM 553 N PRO A 708 13.106 -18.593 3.306 1.00 0.00 N ATOM 554 CA PRO A 708 12.617 -19.422 2.201 1.00 0.00 C ATOM 555 C PRO A 708 12.302 -20.848 2.640 1.00 0.00 C ATOM 556 O PRO A 708 11.431 -21.506 2.071 1.00 0.00 O ATOM 557 CB PRO A 708 13.782 -19.413 1.208 1.00 0.00 C ATOM 558 CG PRO A 708 14.988 -19.154 2.043 1.00 0.00 C ATOM 559 CD PRO A 708 14.533 -18.260 3.163 1.00 0.00 C ATOM 0 HA PRO A 708 11.684 -19.040 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 708 13.861 -20.364 0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 708 13.651 -18.640 0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 708 15.401 -20.085 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 708 15.773 -18.676 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 708 15.085 -18.455 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 708 14.678 -17.207 2.921 1.00 0.00 H new ATOM 567 N SER A 709 13.017 -21.320 3.657 1.00 0.00 N ATOM 568 CA SER A 709 12.816 -22.670 4.170 1.00 0.00 C ATOM 569 C SER A 709 11.557 -22.743 5.029 1.00 0.00 C ATOM 570 O SER A 709 11.363 -21.936 5.936 1.00 0.00 O ATOM 571 CB SER A 709 14.031 -23.114 4.987 1.00 0.00 C ATOM 572 OG SER A 709 14.470 -22.079 5.850 1.00 0.00 O ATOM 0 H SER A 709 13.740 -20.788 4.141 1.00 0.00 H new ATOM 0 HA SER A 709 12.694 -23.341 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 709 13.776 -23.997 5.573 1.00 0.00 H new ATOM 0 HB3 SER A 709 14.840 -23.400 4.315 1.00 0.00 H new ATOM 0 HG SER A 709 13.694 -21.594 6.200 1.00 0.00 H new ATOM 578 N GLY A 710 10.703 -23.719 4.734 1.00 0.00 N ATOM 579 CA GLY A 710 9.473 -23.880 5.487 1.00 0.00 C ATOM 580 C GLY A 710 9.169 -25.333 5.798 1.00 0.00 C ATOM 581 O GLY A 710 8.294 -25.950 5.191 1.00 0.00 O ATOM 0 H GLY A 710 10.841 -24.400 3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 710 9.545 -23.320 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 710 8.646 -23.452 4.921 1.00 0.00 H new ATOM 585 N PRO A 711 9.906 -25.901 6.764 1.00 0.00 N ATOM 586 CA PRO A 711 9.730 -27.297 7.175 1.00 0.00 C ATOM 587 C PRO A 711 8.414 -27.524 7.910 1.00 0.00 C ATOM 588 O PRO A 711 7.855 -28.620 7.879 1.00 0.00 O ATOM 589 CB PRO A 711 10.915 -27.543 8.112 1.00 0.00 C ATOM 590 CG PRO A 711 11.267 -26.194 8.639 1.00 0.00 C ATOM 591 CD PRO A 711 10.967 -25.225 7.529 1.00 0.00 C ATOM 0 HA PRO A 711 9.697 -27.972 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 711 10.647 -28.226 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 711 11.754 -27.992 7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 711 10.685 -25.959 9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 711 12.318 -26.148 8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 711 10.633 -24.262 7.915 1.00 0.00 H new ATOM 0 HD3 PRO A 711 11.846 -25.034 6.914 1.00 0.00 H new ATOM 599 N SER A 712 7.923 -26.480 8.570 1.00 0.00 N ATOM 600 CA SER A 712 6.673 -26.566 9.316 1.00 0.00 C ATOM 601 C SER A 712 5.906 -25.249 9.246 1.00 0.00 C ATOM 602 O SER A 712 6.467 -24.178 9.478 1.00 0.00 O ATOM 603 CB SER A 712 6.950 -26.931 10.776 1.00 0.00 C ATOM 604 OG SER A 712 7.562 -28.205 10.876 1.00 0.00 O ATOM 0 H SER A 712 8.372 -25.565 8.603 1.00 0.00 H new ATOM 0 HA SER A 712 6.062 -27.347 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 712 7.596 -26.177 11.226 1.00 0.00 H new ATOM 0 HB3 SER A 712 6.016 -26.927 11.338 1.00 0.00 H new ATOM 0 HG SER A 712 7.730 -28.414 11.819 1.00 0.00 H new ATOM 610 N SER A 713 4.620 -25.337 8.923 1.00 0.00 N ATOM 611 CA SER A 713 3.775 -24.153 8.817 1.00 0.00 C ATOM 612 C SER A 713 2.482 -24.336 9.606 1.00 0.00 C ATOM 613 O SER A 713 1.664 -25.197 9.287 1.00 0.00 O ATOM 614 CB SER A 713 3.454 -23.859 7.351 1.00 0.00 C ATOM 615 OG SER A 713 2.956 -25.013 6.696 1.00 0.00 O ATOM 0 H SER A 713 4.140 -26.216 8.730 1.00 0.00 H new ATOM 0 HA SER A 713 4.321 -23.309 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 713 2.718 -23.057 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 713 4.352 -23.507 6.842 1.00 0.00 H new ATOM 0 HG SER A 713 2.271 -25.436 7.254 1.00 0.00 H new ATOM 621 N GLY A 714 2.306 -23.518 10.640 1.00 0.00 N ATOM 622 CA GLY A 714 1.111 -23.605 11.459 1.00 0.00 C ATOM 623 C GLY A 714 -0.140 -23.203 10.704 1.00 0.00 C ATOM 624 O GLY A 714 -0.047 -22.411 9.768 1.00 0.00 O ATOM 0 H GLY A 714 2.969 -22.797 10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 714 0.999 -24.626 11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 714 1.226 -22.964 12.333 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 9.083 -0.320 6.264 1.00 0.00 ZN