USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN :FLIP amide:sc= 0.565 F(o=-10,f=-8) USER MOD Set 1.2: A 38 CYS SG : rot -85:sc= -8.6! USER MOD Set 2.1: A 9 SER OG : rot 100:sc= 1.27 USER MOD Set 2.2: A 11 GLN :FLIP amide:sc= -1.43! F(o=-2.2,f=-0.16!) USER MOD Single : A 0 LYS NZ :NH3+ 146:sc= -0.251 (180deg=-1.37!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0699 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS N :NH3+ -120:sc= 0 (180deg=-0.0968) USER MOD Single : A -3 LYS NZ :NH3+ -166:sc= -0.0041 (180deg=-0.11) USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= -1.06 (180deg=-2.44!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.765 F(o=-1.8,f=-0.76) USER MOD Single : A 28 SER OG : rot 180:sc= -0.199 USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= -0.06 (180deg=-0.554) USER MOD Single : A 31 LYS NZ :NH3+ -144:sc= 0.00366 (180deg=-0.713) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= 1.07 (180deg=0.494) USER MOD Single : A 37 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.213) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 44 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.0026) USER MOD Single : A 51 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 139:sc= -0.0721 (180deg=-1.01) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A -3 -4.340 12.285 3.115 1.00 0.00 N ATOM 2 CA LYS A -3 -5.540 13.132 3.346 1.00 0.00 C ATOM 3 C LYS A -3 -5.151 14.588 3.580 1.00 0.00 C ATOM 4 O LYS A -3 -5.492 15.177 4.607 1.00 0.00 O ATOM 5 CB LYS A -3 -6.294 12.582 4.560 1.00 0.00 C ATOM 6 CG LYS A -3 -7.642 13.246 4.790 1.00 0.00 C ATOM 7 CD LYS A -3 -8.791 12.326 4.409 1.00 0.00 C ATOM 8 CE LYS A -3 -10.118 12.844 4.939 1.00 0.00 C ATOM 9 NZ LYS A -3 -10.234 12.671 6.414 1.00 0.00 N ATOM 0 H1 LYS A -3 -4.403 11.843 2.176 1.00 0.00 H new ATOM 0 H2 LYS A -3 -3.485 12.874 3.163 1.00 0.00 H new ATOM 0 H3 LYS A -3 -4.292 11.545 3.844 1.00 0.00 H new ATOM 0 HA LYS A -3 -6.177 13.103 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A -3 -6.444 11.510 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A -3 -5.678 12.712 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A -3 -7.734 13.530 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A -3 -7.701 14.164 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A -3 -8.842 12.235 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A -3 -8.605 11.327 4.804 1.00 0.00 H new ATOM 0 HE2 LYS A -3 -10.222 13.900 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A -3 -10.936 12.318 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A -3 -11.223 12.810 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A -3 -9.929 11.712 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A -3 -9.631 13.370 6.894 1.00 0.00 H new ATOM 25 N LYS A -2 -4.435 15.165 2.621 1.00 0.00 N ATOM 26 CA LYS A -2 -3.999 16.553 2.722 1.00 0.00 C ATOM 27 C LYS A -2 -3.572 17.091 1.360 1.00 0.00 C ATOM 28 O LYS A -2 -4.209 17.988 0.808 1.00 0.00 O ATOM 29 CB LYS A -2 -2.844 16.676 3.717 1.00 0.00 C ATOM 30 CG LYS A -2 -3.297 16.877 5.154 1.00 0.00 C ATOM 31 CD LYS A -2 -2.238 17.593 5.977 1.00 0.00 C ATOM 32 CE LYS A -2 -0.999 16.733 6.165 1.00 0.00 C ATOM 33 NZ LYS A -2 -0.513 16.758 7.572 1.00 0.00 N ATOM 0 H LYS A -2 -4.144 14.693 1.765 1.00 0.00 H new ATOM 0 HA LYS A -2 -4.841 17.146 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -2.230 15.777 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -2.211 17.513 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -4.222 17.454 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -3.518 15.910 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -1.963 18.526 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -2.650 17.856 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -1.223 15.706 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -0.209 17.085 5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 0.333 16.159 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -0.275 17.734 7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -1.257 16.398 8.203 1.00 0.00 H new ATOM 47 N GLU A -1 -2.490 16.536 0.822 1.00 0.00 N ATOM 48 CA GLU A -1 -1.979 16.961 -0.476 1.00 0.00 C ATOM 49 C GLU A -1 -2.482 16.045 -1.586 1.00 0.00 C ATOM 50 O GLU A -1 -1.984 14.932 -1.761 1.00 0.00 O ATOM 51 CB GLU A -1 -0.449 16.977 -0.464 1.00 0.00 C ATOM 52 CG GLU A -1 0.141 18.192 0.231 1.00 0.00 C ATOM 53 CD GLU A -1 1.445 18.646 -0.396 1.00 0.00 C ATOM 54 OE1 GLU A -1 1.500 18.757 -1.639 1.00 0.00 O ATOM 55 OE2 GLU A -1 2.412 18.889 0.357 1.00 0.00 O ATOM 0 H GLU A -1 -1.951 15.792 1.265 1.00 0.00 H new ATOM 0 HA GLU A -1 -2.344 17.969 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -0.088 16.075 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -0.086 16.944 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -0.578 19.010 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A -1 0.309 17.959 1.282 1.00 0.00 H new ATOM 62 N LYS A 0 -3.472 16.520 -2.335 1.00 0.00 N ATOM 63 CA LYS A 0 -4.044 15.744 -3.430 1.00 0.00 C ATOM 64 C LYS A 0 -2.995 15.465 -4.504 1.00 0.00 C ATOM 65 O LYS A 0 -3.018 14.418 -5.150 1.00 0.00 O ATOM 66 CB LYS A 0 -5.237 16.485 -4.039 1.00 0.00 C ATOM 67 CG LYS A 0 -6.580 15.871 -3.683 1.00 0.00 C ATOM 68 CD LYS A 0 -6.655 14.410 -4.100 1.00 0.00 C ATOM 69 CE LYS A 0 -7.943 14.108 -4.851 1.00 0.00 C ATOM 70 NZ LYS A 0 -8.169 15.063 -5.971 1.00 0.00 N ATOM 0 H LYS A 0 -3.895 17.439 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 0 -4.387 14.790 -3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 0 -5.220 17.522 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 0 -5.130 16.500 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 0 -6.745 15.952 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 0 -7.378 16.431 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 0 -5.800 14.167 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 0 -6.591 13.775 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 0 -7.905 13.091 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 0 -8.785 14.152 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 0 -8.638 14.571 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 0 -8.771 15.846 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 0 -7.256 15.441 -6.295 1.00 0.00 H new ATOM 84 N SER A 1 -2.078 16.409 -4.688 1.00 0.00 N ATOM 85 CA SER A 1 -1.023 16.264 -5.684 1.00 0.00 C ATOM 86 C SER A 1 0.075 15.326 -5.181 1.00 0.00 C ATOM 87 O SER A 1 0.728 15.610 -4.178 1.00 0.00 O ATOM 88 CB SER A 1 -0.423 17.631 -6.021 1.00 0.00 C ATOM 89 OG SER A 1 -1.438 18.578 -6.305 1.00 0.00 O ATOM 0 H SER A 1 -2.044 17.282 -4.161 1.00 0.00 H new ATOM 0 HA SER A 1 -1.462 15.833 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.182 17.982 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.242 17.538 -6.879 1.00 0.00 H new ATOM 0 HG SER A 1 -1.029 19.443 -6.515 1.00 0.00 H new ATOM 95 N PRO A 2 0.297 14.191 -5.871 1.00 0.00 N ATOM 96 CA PRO A 2 1.323 13.221 -5.476 1.00 0.00 C ATOM 97 C PRO A 2 2.725 13.827 -5.475 1.00 0.00 C ATOM 98 O PRO A 2 3.290 14.104 -4.418 1.00 0.00 O ATOM 99 CB PRO A 2 1.214 12.112 -6.532 1.00 0.00 C ATOM 100 CG PRO A 2 0.476 12.724 -7.674 1.00 0.00 C ATOM 101 CD PRO A 2 -0.429 13.763 -7.078 1.00 0.00 C ATOM 0 HA PRO A 2 1.166 12.864 -4.458 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.200 11.766 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.681 11.246 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.166 13.172 -8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.098 11.972 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.594 14.594 -7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.408 13.351 -6.834 1.00 0.00 H new ATOM 109 N LYS A 3 3.280 14.033 -6.666 1.00 0.00 N ATOM 110 CA LYS A 3 4.615 14.609 -6.799 1.00 0.00 C ATOM 111 C LYS A 3 5.647 13.773 -6.047 1.00 0.00 C ATOM 112 O LYS A 3 6.577 14.312 -5.444 1.00 0.00 O ATOM 113 CB LYS A 3 4.626 16.046 -6.278 1.00 0.00 C ATOM 114 CG LYS A 3 3.991 17.043 -7.234 1.00 0.00 C ATOM 115 CD LYS A 3 3.217 18.118 -6.487 1.00 0.00 C ATOM 116 CE LYS A 3 4.150 19.139 -5.857 1.00 0.00 C ATOM 117 NZ LYS A 3 3.600 20.520 -5.941 1.00 0.00 N ATOM 0 H LYS A 3 2.827 13.810 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 3 4.879 14.611 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.099 16.082 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.656 16.346 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.766 17.508 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.321 16.519 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.536 18.621 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.605 17.656 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.320 18.879 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.118 19.103 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.266 21.186 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.461 20.778 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.688 20.561 -5.443 1.00 0.00 H new ATOM 131 N GLY A 4 5.478 12.456 -6.085 1.00 0.00 N ATOM 132 CA GLY A 4 6.403 11.568 -5.404 1.00 0.00 C ATOM 133 C GLY A 4 6.719 10.328 -6.216 1.00 0.00 C ATOM 134 O GLY A 4 6.507 10.299 -7.429 1.00 0.00 O ATOM 0 H GLY A 4 4.717 11.987 -6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.328 12.105 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.978 11.272 -4.445 1.00 0.00 H new ATOM 138 N LYS A 5 7.230 9.299 -5.545 1.00 0.00 N ATOM 139 CA LYS A 5 7.577 8.050 -6.213 1.00 0.00 C ATOM 140 C LYS A 5 7.503 6.876 -5.241 1.00 0.00 C ATOM 141 O LYS A 5 8.145 6.884 -4.191 1.00 0.00 O ATOM 142 CB LYS A 5 8.980 8.143 -6.816 1.00 0.00 C ATOM 143 CG LYS A 5 9.075 7.575 -8.222 1.00 0.00 C ATOM 144 CD LYS A 5 10.117 8.310 -9.050 1.00 0.00 C ATOM 145 CE LYS A 5 10.136 7.817 -10.488 1.00 0.00 C ATOM 146 NZ LYS A 5 11.025 6.634 -10.659 1.00 0.00 N ATOM 0 H LYS A 5 7.412 9.306 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 5 6.857 7.881 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.291 9.188 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.680 7.613 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.329 6.516 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.103 7.646 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.908 9.380 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.102 8.171 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.123 7.557 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.472 8.621 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.010 6.329 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.997 6.888 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.690 5.858 -10.054 1.00 0.00 H new ATOM 160 N SER A 6 6.714 5.868 -5.599 1.00 0.00 N ATOM 161 CA SER A 6 6.555 4.686 -4.758 1.00 0.00 C ATOM 162 C SER A 6 7.766 3.767 -4.876 1.00 0.00 C ATOM 163 O SER A 6 8.021 3.192 -5.935 1.00 0.00 O ATOM 164 CB SER A 6 5.281 3.927 -5.141 1.00 0.00 C ATOM 165 OG SER A 6 4.495 4.673 -6.054 1.00 0.00 O ATOM 0 H SER A 6 6.175 5.846 -6.465 1.00 0.00 H new ATOM 0 HA SER A 6 6.473 5.016 -3.722 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.546 2.967 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.698 3.714 -4.245 1.00 0.00 H new ATOM 0 HG SER A 6 3.689 4.165 -6.283 1.00 0.00 H new ATOM 171 N SER A 7 8.511 3.633 -3.783 1.00 0.00 N ATOM 172 CA SER A 7 9.696 2.783 -3.765 1.00 0.00 C ATOM 173 C SER A 7 10.084 2.420 -2.335 1.00 0.00 C ATOM 174 O SER A 7 9.907 3.214 -1.411 1.00 0.00 O ATOM 175 CB SER A 7 10.865 3.486 -4.458 1.00 0.00 C ATOM 176 OG SER A 7 11.832 2.551 -4.903 1.00 0.00 O ATOM 0 H SER A 7 8.315 4.102 -2.899 1.00 0.00 H new ATOM 0 HA SER A 7 9.461 1.865 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.495 4.063 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.328 4.193 -3.769 1.00 0.00 H new ATOM 0 HG SER A 7 12.567 3.026 -5.344 1.00 0.00 H new ATOM 182 N ILE A 8 10.614 1.214 -2.161 1.00 0.00 N ATOM 183 CA ILE A 8 11.027 0.743 -0.844 1.00 0.00 C ATOM 184 C ILE A 8 11.674 -0.638 -0.937 1.00 0.00 C ATOM 185 O ILE A 8 11.571 -1.313 -1.961 1.00 0.00 O ATOM 186 CB ILE A 8 9.829 0.696 0.139 1.00 0.00 C ATOM 187 CG1 ILE A 8 10.320 0.695 1.587 1.00 0.00 C ATOM 188 CG2 ILE A 8 8.945 -0.519 -0.124 1.00 0.00 C ATOM 189 CD1 ILE A 8 9.246 1.067 2.587 1.00 0.00 C ATOM 0 H ILE A 8 10.768 0.545 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 8 11.761 1.452 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 8 9.229 1.591 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.706 -0.295 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.151 1.394 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.114 -0.524 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.557 -0.473 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.531 -1.429 0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.663 1.046 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.876 2.069 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.424 0.354 2.520 1.00 0.00 H new ATOM 201 N SER A 9 12.329 -1.053 0.144 1.00 0.00 N ATOM 202 CA SER A 9 12.983 -2.359 0.202 1.00 0.00 C ATOM 203 C SER A 9 12.010 -3.464 -0.227 1.00 0.00 C ATOM 204 O SER A 9 10.871 -3.175 -0.596 1.00 0.00 O ATOM 205 CB SER A 9 13.487 -2.612 1.628 1.00 0.00 C ATOM 206 OG SER A 9 13.295 -1.471 2.449 1.00 0.00 O ATOM 0 H SER A 9 12.422 -0.501 0.997 1.00 0.00 H new ATOM 0 HA SER A 9 13.830 -2.368 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.961 -3.465 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.545 -2.871 1.602 1.00 0.00 H new ATOM 0 HG SER A 9 12.489 -1.592 2.994 1.00 0.00 H new ATOM 212 N PRO A 10 12.413 -4.751 -0.172 1.00 0.00 N ATOM 213 CA PRO A 10 11.526 -5.855 -0.549 1.00 0.00 C ATOM 214 C PRO A 10 10.198 -5.762 0.188 1.00 0.00 C ATOM 215 O PRO A 10 9.177 -6.273 -0.271 1.00 0.00 O ATOM 216 CB PRO A 10 12.298 -7.115 -0.131 1.00 0.00 C ATOM 217 CG PRO A 10 13.384 -6.624 0.763 1.00 0.00 C ATOM 218 CD PRO A 10 13.721 -5.245 0.278 1.00 0.00 C ATOM 0 HA PRO A 10 11.280 -5.849 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.649 -7.821 0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.706 -7.634 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.056 -6.604 1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.254 -7.278 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.141 -4.625 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.450 -5.264 -0.532 1.00 0.00 H new ATOM 226 N GLN A 11 10.226 -5.081 1.331 1.00 0.00 N ATOM 227 CA GLN A 11 9.038 -4.882 2.144 1.00 0.00 C ATOM 228 C GLN A 11 7.902 -4.313 1.305 1.00 0.00 C ATOM 229 O GLN A 11 6.739 -4.502 1.629 1.00 0.00 O ATOM 230 CB GLN A 11 9.354 -3.943 3.308 1.00 0.00 C ATOM 231 CG GLN A 11 10.430 -4.476 4.242 1.00 0.00 C ATOM 232 CD GLN A 11 11.673 -3.607 4.259 1.00 0.00 C ATOM 233 OE1 GLN A 11 11.479 -2.294 4.311 1.00 0.00 O flip ATOM 234 NE2 GLN A 11 12.796 -4.111 4.226 1.00 0.00 N flip ATOM 0 H GLN A 11 11.070 -4.655 1.715 1.00 0.00 H new ATOM 0 HA GLN A 11 8.723 -5.847 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.673 -2.979 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.443 -3.766 3.880 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.027 -4.546 5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.702 -5.486 3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.899 -5.125 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.623 -3.514 4.238 1.00 0.00 H new ATOM 243 N ALA A 12 8.238 -3.629 0.214 1.00 0.00 N ATOM 244 CA ALA A 12 7.216 -3.064 -0.663 1.00 0.00 C ATOM 245 C ALA A 12 6.104 -4.081 -0.894 1.00 0.00 C ATOM 246 O ALA A 12 4.942 -3.844 -0.562 1.00 0.00 O ATOM 247 CB ALA A 12 7.828 -2.639 -1.989 1.00 0.00 C ATOM 0 H ALA A 12 9.198 -3.454 -0.082 1.00 0.00 H new ATOM 0 HA ALA A 12 6.792 -2.183 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.052 -2.220 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.596 -1.887 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.274 -3.505 -2.478 1.00 0.00 H new ATOM 253 N ARG A 13 6.487 -5.226 -1.443 1.00 0.00 N ATOM 254 CA ARG A 13 5.548 -6.306 -1.704 1.00 0.00 C ATOM 255 C ARG A 13 5.308 -7.128 -0.441 1.00 0.00 C ATOM 256 O ARG A 13 4.208 -7.624 -0.216 1.00 0.00 O ATOM 257 CB ARG A 13 6.087 -7.213 -2.809 1.00 0.00 C ATOM 258 CG ARG A 13 7.324 -7.996 -2.391 1.00 0.00 C ATOM 259 CD ARG A 13 8.301 -8.169 -3.543 1.00 0.00 C ATOM 260 NE ARG A 13 8.503 -9.574 -3.884 1.00 0.00 N ATOM 261 CZ ARG A 13 9.453 -10.007 -4.710 1.00 0.00 C ATOM 262 NH1 ARG A 13 10.289 -9.146 -5.280 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.570 -11.302 -4.966 1.00 0.00 N ATOM 0 H ARG A 13 7.448 -5.430 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 13 4.602 -5.868 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.307 -7.912 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.326 -6.607 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.820 -7.480 -1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.025 -8.976 -2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.929 -7.634 -4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.258 -7.719 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 13 7.880 -10.264 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.205 -8.148 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.015 -9.483 -5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.932 -11.968 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.298 -11.633 -5.599 1.00 0.00 H new ATOM 277 N ALA A 14 6.352 -7.280 0.372 1.00 0.00 N ATOM 278 CA ALA A 14 6.255 -8.052 1.605 1.00 0.00 C ATOM 279 C ALA A 14 5.274 -7.409 2.576 1.00 0.00 C ATOM 280 O ALA A 14 4.334 -8.052 3.044 1.00 0.00 O ATOM 281 CB ALA A 14 7.625 -8.197 2.249 1.00 0.00 C ATOM 0 H ALA A 14 7.273 -6.878 0.197 1.00 0.00 H new ATOM 0 HA ALA A 14 5.880 -9.045 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.535 -8.776 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.298 -8.710 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.025 -7.210 2.479 1.00 0.00 H new ATOM 287 N PHE A 15 5.490 -6.132 2.866 1.00 0.00 N ATOM 288 CA PHE A 15 4.621 -5.398 3.766 1.00 0.00 C ATOM 289 C PHE A 15 3.192 -5.451 3.251 1.00 0.00 C ATOM 290 O PHE A 15 2.266 -5.740 4.000 1.00 0.00 O ATOM 291 CB PHE A 15 5.116 -3.943 3.938 1.00 0.00 C ATOM 292 CG PHE A 15 4.535 -2.928 2.975 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.180 -2.632 2.979 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.353 -2.262 2.074 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.654 -1.702 2.101 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.832 -1.330 1.195 1.00 0.00 C ATOM 297 CZ PHE A 15 3.481 -1.052 1.209 1.00 0.00 C ATOM 0 H PHE A 15 6.263 -5.585 2.488 1.00 0.00 H new ATOM 0 HA PHE A 15 4.645 -5.863 4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.891 -3.621 4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.201 -3.934 3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.527 -3.135 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.412 -2.474 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.596 -1.485 2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.482 -0.821 0.499 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.071 -0.326 0.522 1.00 0.00 H new ATOM 307 N LEU A 16 3.027 -5.191 1.960 1.00 0.00 N ATOM 308 CA LEU A 16 1.711 -5.227 1.341 1.00 0.00 C ATOM 309 C LEU A 16 1.203 -6.659 1.266 1.00 0.00 C ATOM 310 O LEU A 16 -0.001 -6.909 1.324 1.00 0.00 O ATOM 311 CB LEU A 16 1.760 -4.612 -0.055 1.00 0.00 C ATOM 312 CG LEU A 16 0.483 -3.902 -0.496 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.742 -4.760 -0.217 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.370 -2.559 0.204 1.00 0.00 C ATOM 0 H LEU A 16 3.788 -4.953 1.323 1.00 0.00 H new ATOM 0 HA LEU A 16 1.025 -4.642 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.584 -3.900 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.986 -5.399 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 16 0.532 -3.735 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.638 -4.231 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.659 -5.700 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.807 -4.964 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.544 -2.058 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.342 -2.712 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.231 -1.942 -0.052 1.00 0.00 H new ATOM 326 N GLU A 17 2.134 -7.603 1.150 1.00 0.00 N ATOM 327 CA GLU A 17 1.784 -9.014 1.085 1.00 0.00 C ATOM 328 C GLU A 17 0.937 -9.383 2.290 1.00 0.00 C ATOM 329 O GLU A 17 -0.229 -9.751 2.154 1.00 0.00 O ATOM 330 CB GLU A 17 3.050 -9.877 1.038 1.00 0.00 C ATOM 331 CG GLU A 17 3.277 -10.546 -0.308 1.00 0.00 C ATOM 332 CD GLU A 17 4.560 -11.353 -0.349 1.00 0.00 C ATOM 333 OE1 GLU A 17 4.829 -12.090 0.623 1.00 0.00 O ATOM 334 OE2 GLU A 17 5.296 -11.246 -1.352 1.00 0.00 O ATOM 0 H GLU A 17 3.135 -7.414 1.099 1.00 0.00 H new ATOM 0 HA GLU A 17 1.211 -9.198 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.913 -9.255 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.987 -10.644 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.434 -11.200 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.306 -9.785 -1.088 1.00 0.00 H new ATOM 341 N GLN A 18 1.528 -9.251 3.469 1.00 0.00 N ATOM 342 CA GLN A 18 0.831 -9.540 4.712 1.00 0.00 C ATOM 343 C GLN A 18 -0.379 -8.624 4.856 1.00 0.00 C ATOM 344 O GLN A 18 -1.399 -9.011 5.430 1.00 0.00 O ATOM 345 CB GLN A 18 1.778 -9.382 5.908 1.00 0.00 C ATOM 346 CG GLN A 18 2.763 -8.227 5.775 1.00 0.00 C ATOM 347 CD GLN A 18 2.722 -7.284 6.961 1.00 0.00 C ATOM 348 OE1 GLN A 18 1.518 -6.947 7.412 1.00 0.00 O flip ATOM 349 NE2 GLN A 18 3.760 -6.862 7.469 1.00 0.00 N flip ATOM 0 H GLN A 18 2.493 -8.944 3.590 1.00 0.00 H new ATOM 0 HA GLN A 18 0.484 -10.573 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.184 -9.237 6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.337 -10.308 6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.772 -8.626 5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.542 -7.669 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.664 -7.146 7.092 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.716 -6.229 8.267 1.00 0.00 H new ATOM 358 N VAL A 19 -0.270 -7.415 4.306 1.00 0.00 N ATOM 359 CA VAL A 19 -1.367 -6.453 4.345 1.00 0.00 C ATOM 360 C VAL A 19 -2.571 -7.024 3.605 1.00 0.00 C ATOM 361 O VAL A 19 -3.629 -7.247 4.193 1.00 0.00 O ATOM 362 CB VAL A 19 -0.952 -5.106 3.710 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.142 -4.182 3.522 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.110 -4.424 4.553 1.00 0.00 C ATOM 0 H VAL A 19 0.567 -7.080 3.829 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.627 -6.270 5.388 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.540 -5.324 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.809 -3.246 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.873 -4.658 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.600 -3.977 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.390 -3.478 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.283 -4.237 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.987 -5.067 4.623 1.00 0.00 H new ATOM 374 N PHE A 20 -2.392 -7.279 2.312 1.00 0.00 N ATOM 375 CA PHE A 20 -3.451 -7.850 1.490 1.00 0.00 C ATOM 376 C PHE A 20 -3.784 -9.271 1.950 1.00 0.00 C ATOM 377 O PHE A 20 -4.816 -9.827 1.580 1.00 0.00 O ATOM 378 CB PHE A 20 -3.032 -7.862 0.019 1.00 0.00 C ATOM 379 CG PHE A 20 -4.132 -8.264 -0.921 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.447 -9.601 -1.108 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.851 -7.306 -1.618 1.00 0.00 C ATOM 382 CE1 PHE A 20 -5.458 -9.974 -1.974 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.862 -7.674 -2.485 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.167 -9.009 -2.662 1.00 0.00 C ATOM 0 H PHE A 20 -1.522 -7.098 1.812 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.341 -7.231 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.677 -6.869 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.193 -8.547 -0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.897 -10.360 -0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.619 -6.260 -1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.693 -11.019 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.413 -6.918 -3.024 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.959 -9.298 -3.337 1.00 0.00 H new ATOM 394 N ARG A 21 -2.902 -9.853 2.761 1.00 0.00 N ATOM 395 CA ARG A 21 -3.107 -11.203 3.272 1.00 0.00 C ATOM 396 C ARG A 21 -4.143 -11.199 4.388 1.00 0.00 C ATOM 397 O ARG A 21 -4.982 -12.096 4.477 1.00 0.00 O ATOM 398 CB ARG A 21 -1.794 -11.777 3.801 1.00 0.00 C ATOM 399 CG ARG A 21 -1.646 -13.272 3.575 1.00 0.00 C ATOM 400 CD ARG A 21 -0.433 -13.586 2.716 1.00 0.00 C ATOM 401 NE ARG A 21 0.224 -14.824 3.127 1.00 0.00 N ATOM 402 CZ ARG A 21 1.465 -15.156 2.780 1.00 0.00 C ATOM 403 NH1 ARG A 21 2.188 -14.347 2.015 1.00 0.00 N ATOM 404 NH2 ARG A 21 1.985 -16.302 3.199 1.00 0.00 N ATOM 0 H ARG A 21 -2.040 -9.409 3.077 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.467 -11.825 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.963 -11.262 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.722 -11.571 4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.555 -13.779 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.544 -13.659 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.739 -13.667 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.277 -12.761 2.777 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.300 -15.473 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.793 -13.465 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.139 -14.608 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.434 -16.928 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.936 -16.558 2.934 1.00 0.00 H new ATOM 418 N ARG A 22 -4.075 -10.183 5.240 1.00 0.00 N ATOM 419 CA ARG A 22 -5.004 -10.058 6.357 1.00 0.00 C ATOM 420 C ARG A 22 -6.442 -9.987 5.857 1.00 0.00 C ATOM 421 O ARG A 22 -7.337 -10.626 6.411 1.00 0.00 O ATOM 422 CB ARG A 22 -4.677 -8.809 7.176 1.00 0.00 C ATOM 423 CG ARG A 22 -3.614 -9.038 8.239 1.00 0.00 C ATOM 424 CD ARG A 22 -3.296 -7.757 8.991 1.00 0.00 C ATOM 425 NE ARG A 22 -4.506 -7.033 9.376 1.00 0.00 N ATOM 426 CZ ARG A 22 -4.542 -5.728 9.633 1.00 0.00 C ATOM 427 NH1 ARG A 22 -3.435 -4.998 9.562 1.00 0.00 N ATOM 428 NH2 ARG A 22 -5.688 -5.150 9.966 1.00 0.00 N ATOM 0 H ARG A 22 -3.386 -9.433 5.179 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.899 -10.939 6.990 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.341 -8.021 6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.588 -8.451 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.957 -9.798 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.707 -9.422 7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.717 -7.995 9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.673 -7.116 8.368 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.376 -7.560 9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.550 -5.437 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.470 -3.998 9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.541 -5.706 10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.716 -4.150 10.163 1.00 0.00 H new ATOM 442 N LYS A 23 -6.651 -9.215 4.799 1.00 0.00 N ATOM 443 CA LYS A 23 -7.978 -9.066 4.207 1.00 0.00 C ATOM 444 C LYS A 23 -7.872 -8.521 2.782 1.00 0.00 C ATOM 445 O LYS A 23 -6.933 -8.852 2.062 1.00 0.00 O ATOM 446 CB LYS A 23 -8.865 -8.169 5.079 1.00 0.00 C ATOM 447 CG LYS A 23 -8.452 -6.708 5.081 1.00 0.00 C ATOM 448 CD LYS A 23 -9.555 -5.803 5.614 1.00 0.00 C ATOM 449 CE LYS A 23 -10.911 -6.104 4.990 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.662 -7.136 5.756 1.00 0.00 N ATOM 0 H LYS A 23 -5.919 -8.681 4.331 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.446 -10.049 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.895 -8.244 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.847 -8.543 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.557 -6.585 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.192 -6.404 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.623 -5.918 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.292 -4.763 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.500 -5.188 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.770 -6.445 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.899 -7.931 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.075 -7.480 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.537 -6.720 6.133 1.00 0.00 H new ATOM 464 N GLN A 24 -8.835 -7.703 2.363 1.00 0.00 N ATOM 465 CA GLN A 24 -8.816 -7.154 1.012 1.00 0.00 C ATOM 466 C GLN A 24 -9.279 -5.706 0.990 1.00 0.00 C ATOM 467 O GLN A 24 -8.631 -4.842 0.401 1.00 0.00 O ATOM 468 CB GLN A 24 -9.713 -7.978 0.074 1.00 0.00 C ATOM 469 CG GLN A 24 -10.028 -9.384 0.569 1.00 0.00 C ATOM 470 CD GLN A 24 -9.986 -10.415 -0.541 1.00 0.00 C ATOM 471 OE1 GLN A 24 -11.009 -10.739 -1.143 1.00 0.00 O ATOM 472 NE2 GLN A 24 -8.795 -10.935 -0.819 1.00 0.00 N ATOM 0 H GLN A 24 -9.629 -7.409 2.933 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.783 -7.200 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.650 -7.441 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.228 -8.050 -0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.314 -9.661 1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.016 -9.391 1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.973 -10.637 -0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.703 -11.632 -1.558 1.00 0.00 H new ATOM 481 N SER A 25 -10.424 -5.457 1.606 1.00 0.00 N ATOM 482 CA SER A 25 -11.001 -4.119 1.628 1.00 0.00 C ATOM 483 C SER A 25 -10.638 -3.339 2.889 1.00 0.00 C ATOM 484 O SER A 25 -11.436 -3.244 3.820 1.00 0.00 O ATOM 485 CB SER A 25 -12.522 -4.212 1.498 1.00 0.00 C ATOM 486 OG SER A 25 -13.099 -2.931 1.309 1.00 0.00 O ATOM 0 H SER A 25 -10.973 -6.162 2.098 1.00 0.00 H new ATOM 0 HA SER A 25 -10.581 -3.574 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.779 -4.857 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.939 -4.673 2.393 1.00 0.00 H new ATOM 0 HG SER A 25 -14.072 -3.019 1.227 1.00 0.00 H new ATOM 492 N LEU A 26 -9.442 -2.755 2.901 1.00 0.00 N ATOM 493 CA LEU A 26 -9.003 -1.953 4.040 1.00 0.00 C ATOM 494 C LEU A 26 -9.730 -0.610 4.030 1.00 0.00 C ATOM 495 O LEU A 26 -9.854 0.026 2.983 1.00 0.00 O ATOM 496 CB LEU A 26 -7.486 -1.714 4.002 1.00 0.00 C ATOM 497 CG LEU A 26 -6.616 -2.935 3.677 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.198 -2.732 4.190 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.210 -4.200 4.271 1.00 0.00 C ATOM 0 H LEU A 26 -8.764 -2.821 2.141 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.240 -2.500 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.280 -0.940 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.177 -1.321 4.970 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.586 -3.046 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.595 -3.608 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.763 -1.852 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.219 -2.590 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.574 -5.051 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.277 -4.097 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.206 -4.362 3.860 1.00 0.00 H new ATOM 511 N ASN A 27 -10.209 -0.178 5.192 1.00 0.00 N ATOM 512 CA ASN A 27 -10.920 1.096 5.288 1.00 0.00 C ATOM 513 C ASN A 27 -10.002 2.178 5.843 1.00 0.00 C ATOM 514 O ASN A 27 -8.834 1.925 6.123 1.00 0.00 O ATOM 515 CB ASN A 27 -12.175 0.971 6.167 1.00 0.00 C ATOM 516 CG ASN A 27 -12.394 -0.431 6.707 1.00 0.00 C ATOM 517 OD1 ASN A 27 -11.909 -0.681 7.917 1.00 0.00 O flip ATOM 518 ND2 ASN A 27 -12.993 -1.278 6.043 1.00 0.00 N flip ATOM 0 H ASN A 27 -10.120 -0.684 6.073 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.235 1.376 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.095 1.666 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.048 1.269 5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.349 -1.042 5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.133 -2.216 6.419 1.00 0.00 H new ATOM 525 N SER A 28 -10.537 3.383 6.007 1.00 0.00 N ATOM 526 CA SER A 28 -9.759 4.498 6.538 1.00 0.00 C ATOM 527 C SER A 28 -9.066 4.094 7.834 1.00 0.00 C ATOM 528 O SER A 28 -8.016 4.629 8.189 1.00 0.00 O ATOM 529 CB SER A 28 -10.660 5.709 6.782 1.00 0.00 C ATOM 530 OG SER A 28 -10.689 6.560 5.649 1.00 0.00 O ATOM 0 H SER A 28 -11.505 3.613 5.781 1.00 0.00 H new ATOM 0 HA SER A 28 -9.000 4.767 5.803 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.671 5.373 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.301 6.264 7.649 1.00 0.00 H new ATOM 0 HG SER A 28 -11.273 7.326 5.830 1.00 0.00 H new ATOM 536 N LYS A 29 -9.669 3.140 8.532 1.00 0.00 N ATOM 537 CA LYS A 29 -9.134 2.643 9.785 1.00 0.00 C ATOM 538 C LYS A 29 -7.994 1.665 9.538 1.00 0.00 C ATOM 539 O LYS A 29 -6.915 1.798 10.110 1.00 0.00 O ATOM 540 CB LYS A 29 -10.246 1.955 10.568 1.00 0.00 C ATOM 541 CG LYS A 29 -11.475 2.828 10.766 1.00 0.00 C ATOM 542 CD LYS A 29 -12.549 2.527 9.733 1.00 0.00 C ATOM 543 CE LYS A 29 -13.090 3.802 9.104 1.00 0.00 C ATOM 544 NZ LYS A 29 -13.510 4.793 10.131 1.00 0.00 N ATOM 0 H LYS A 29 -10.539 2.693 8.244 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.743 3.483 10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.537 1.044 10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.862 1.655 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.877 2.669 11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.190 3.878 10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.138 1.883 8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.364 1.978 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.326 4.244 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.939 3.559 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.277 5.383 9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.846 4.293 10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.701 5.396 10.383 1.00 0.00 H new ATOM 558 N GLU A 30 -8.237 0.688 8.675 1.00 0.00 N ATOM 559 CA GLU A 30 -7.230 -0.303 8.345 1.00 0.00 C ATOM 560 C GLU A 30 -6.139 0.333 7.511 1.00 0.00 C ATOM 561 O GLU A 30 -4.970 0.033 7.672 1.00 0.00 O ATOM 562 CB GLU A 30 -7.852 -1.475 7.589 1.00 0.00 C ATOM 563 CG GLU A 30 -8.979 -2.158 8.345 1.00 0.00 C ATOM 564 CD GLU A 30 -8.854 -3.669 8.339 1.00 0.00 C ATOM 565 OE1 GLU A 30 -8.225 -4.209 7.404 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.384 -4.313 9.268 1.00 0.00 O ATOM 0 H GLU A 30 -9.126 0.563 8.191 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.799 -0.683 9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.232 -1.118 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.076 -2.208 7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.988 -1.802 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.933 -1.874 7.901 1.00 0.00 H new ATOM 573 N LYS A 31 -6.530 1.228 6.622 1.00 0.00 N ATOM 574 CA LYS A 31 -5.573 1.913 5.776 1.00 0.00 C ATOM 575 C LYS A 31 -4.590 2.702 6.635 1.00 0.00 C ATOM 576 O LYS A 31 -3.415 2.817 6.304 1.00 0.00 O ATOM 577 CB LYS A 31 -6.313 2.830 4.801 1.00 0.00 C ATOM 578 CG LYS A 31 -6.488 4.251 5.302 1.00 0.00 C ATOM 579 CD LYS A 31 -7.139 5.133 4.253 1.00 0.00 C ATOM 580 CE LYS A 31 -7.513 6.494 4.819 1.00 0.00 C ATOM 581 NZ LYS A 31 -6.605 7.567 4.329 1.00 0.00 N ATOM 0 H LYS A 31 -7.502 1.496 6.468 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.006 1.183 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.769 2.853 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.295 2.405 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.098 4.247 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.517 4.664 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.457 5.263 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.032 4.641 3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.540 6.733 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.477 6.457 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.448 8.262 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.695 7.150 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.037 8.040 3.510 1.00 0.00 H new ATOM 595 N GLU A 32 -5.086 3.238 7.746 1.00 0.00 N ATOM 596 CA GLU A 32 -4.253 4.009 8.660 1.00 0.00 C ATOM 597 C GLU A 32 -3.619 3.098 9.708 1.00 0.00 C ATOM 598 O GLU A 32 -2.476 3.303 10.120 1.00 0.00 O ATOM 599 CB GLU A 32 -5.086 5.104 9.337 1.00 0.00 C ATOM 600 CG GLU A 32 -6.022 4.589 10.421 1.00 0.00 C ATOM 601 CD GLU A 32 -6.669 5.710 11.212 1.00 0.00 C ATOM 602 OE1 GLU A 32 -7.359 6.549 10.595 1.00 0.00 O ATOM 603 OE2 GLU A 32 -6.485 5.748 12.446 1.00 0.00 O ATOM 0 H GLU A 32 -6.061 3.152 8.034 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.454 4.480 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.412 5.841 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.674 5.620 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.799 3.976 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.465 3.944 11.101 1.00 0.00 H new ATOM 610 N GLU A 33 -4.373 2.088 10.126 1.00 0.00 N ATOM 611 CA GLU A 33 -3.906 1.131 11.120 1.00 0.00 C ATOM 612 C GLU A 33 -2.908 0.158 10.500 1.00 0.00 C ATOM 613 O GLU A 33 -1.943 -0.257 11.140 1.00 0.00 O ATOM 614 CB GLU A 33 -5.098 0.365 11.689 1.00 0.00 C ATOM 615 CG GLU A 33 -6.006 1.217 12.560 1.00 0.00 C ATOM 616 CD GLU A 33 -5.714 1.059 14.040 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.524 0.945 14.401 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.676 1.050 14.836 1.00 0.00 O ATOM 0 H GLU A 33 -5.319 1.911 9.788 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.405 1.672 11.923 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.681 -0.048 10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.732 -0.478 12.275 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.892 2.265 12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.045 0.947 12.368 1.00 0.00 H new ATOM 625 N VAL A 34 -3.154 -0.187 9.243 1.00 0.00 N ATOM 626 CA VAL A 34 -2.295 -1.101 8.498 1.00 0.00 C ATOM 627 C VAL A 34 -1.053 -0.369 8.007 1.00 0.00 C ATOM 628 O VAL A 34 0.045 -0.926 7.989 1.00 0.00 O ATOM 629 CB VAL A 34 -3.050 -1.719 7.295 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.130 -2.578 6.439 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.238 -2.538 7.780 1.00 0.00 C ATOM 0 H VAL A 34 -3.953 0.158 8.711 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.998 -1.908 9.168 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.413 -0.900 6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.694 -2.995 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.314 -1.966 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.723 -3.389 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.759 -2.966 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.886 -3.340 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.921 -1.895 8.336 1.00 0.00 H new ATOM 641 N ALA A 35 -1.237 0.885 7.609 1.00 0.00 N ATOM 642 CA ALA A 35 -0.133 1.698 7.114 1.00 0.00 C ATOM 643 C ALA A 35 0.902 1.982 8.201 1.00 0.00 C ATOM 644 O ALA A 35 2.087 2.153 7.911 1.00 0.00 O ATOM 645 CB ALA A 35 -0.654 3.004 6.546 1.00 0.00 C ATOM 0 H ALA A 35 -2.140 1.360 7.620 1.00 0.00 H new ATOM 0 HA ALA A 35 0.360 1.128 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.182 3.601 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.339 2.796 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.180 3.556 7.325 1.00 0.00 H new ATOM 651 N LYS A 36 0.447 2.060 9.445 1.00 0.00 N ATOM 652 CA LYS A 36 1.336 2.357 10.567 1.00 0.00 C ATOM 653 C LYS A 36 1.981 1.101 11.152 1.00 0.00 C ATOM 654 O LYS A 36 2.997 1.188 11.841 1.00 0.00 O ATOM 655 CB LYS A 36 0.564 3.096 11.658 1.00 0.00 C ATOM 656 CG LYS A 36 -0.497 2.245 12.339 1.00 0.00 C ATOM 657 CD LYS A 36 -1.251 3.034 13.398 1.00 0.00 C ATOM 658 CE LYS A 36 -1.380 2.249 14.694 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.559 2.684 15.494 1.00 0.00 N ATOM 0 H LYS A 36 -0.530 1.923 9.705 1.00 0.00 H new ATOM 0 HA LYS A 36 2.140 2.986 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.268 3.454 12.410 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.088 3.975 11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.199 1.872 11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.027 1.375 12.798 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.733 3.973 13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.243 3.288 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.468 1.186 14.467 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.474 2.375 15.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.369 2.530 16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.739 3.694 15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.394 2.132 15.211 1.00 0.00 H new ATOM 673 N LYS A 37 1.390 -0.059 10.891 1.00 0.00 N ATOM 674 CA LYS A 37 1.926 -1.312 11.418 1.00 0.00 C ATOM 675 C LYS A 37 2.625 -2.122 10.331 1.00 0.00 C ATOM 676 O LYS A 37 3.477 -2.963 10.625 1.00 0.00 O ATOM 677 CB LYS A 37 0.811 -2.144 12.054 1.00 0.00 C ATOM 678 CG LYS A 37 -0.172 -2.722 11.049 1.00 0.00 C ATOM 679 CD LYS A 37 -1.242 -3.555 11.733 1.00 0.00 C ATOM 680 CE LYS A 37 -0.798 -5.000 11.903 1.00 0.00 C ATOM 681 NZ LYS A 37 -0.264 -5.261 13.268 1.00 0.00 N ATOM 0 H LYS A 37 0.548 -0.160 10.324 1.00 0.00 H new ATOM 0 HA LYS A 37 2.664 -1.060 12.179 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.258 -2.960 12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.266 -1.522 12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.642 -1.912 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.364 -3.338 10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.470 -3.126 12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.161 -3.522 11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.641 -5.664 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.032 -5.234 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.567 -5.883 13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.011 -4.361 13.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.997 -5.721 13.845 1.00 0.00 H new ATOM 695 N CYS A 38 2.258 -1.875 9.081 1.00 0.00 N ATOM 696 CA CYS A 38 2.852 -2.594 7.962 1.00 0.00 C ATOM 697 C CYS A 38 3.954 -1.773 7.303 1.00 0.00 C ATOM 698 O CYS A 38 4.899 -2.328 6.740 1.00 0.00 O ATOM 699 CB CYS A 38 1.774 -2.959 6.944 1.00 0.00 C ATOM 700 SG CYS A 38 0.431 -3.950 7.638 1.00 0.00 S ATOM 0 H CYS A 38 1.555 -1.185 8.817 1.00 0.00 H new ATOM 0 HA CYS A 38 3.303 -3.510 8.344 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.359 -2.043 6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.233 -3.509 6.122 1.00 0.00 H new ATOM 0 HG CYS A 38 0.765 -5.206 7.620 1.00 0.00 H new ATOM 706 N GLY A 39 3.842 -0.451 7.384 1.00 0.00 N ATOM 707 CA GLY A 39 4.856 0.409 6.799 1.00 0.00 C ATOM 708 C GLY A 39 4.340 1.258 5.656 1.00 0.00 C ATOM 709 O GLY A 39 5.122 1.732 4.831 1.00 0.00 O ATOM 0 H GLY A 39 3.073 0.038 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.259 1.062 7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.681 -0.207 6.441 1.00 0.00 H new ATOM 713 N ILE A 40 3.032 1.470 5.609 1.00 0.00 N ATOM 714 CA ILE A 40 2.437 2.288 4.564 1.00 0.00 C ATOM 715 C ILE A 40 1.948 3.611 5.154 1.00 0.00 C ATOM 716 O ILE A 40 2.347 3.987 6.256 1.00 0.00 O ATOM 717 CB ILE A 40 1.265 1.569 3.853 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.145 0.109 4.296 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.442 1.632 2.342 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.067 -0.585 3.716 1.00 0.00 C ATOM 0 H ILE A 40 2.366 1.088 6.280 1.00 0.00 H new ATOM 0 HA ILE A 40 3.209 2.475 3.818 1.00 0.00 H new ATOM 0 HB ILE A 40 0.348 2.086 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.044 -0.431 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.095 0.068 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.610 1.122 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.466 2.674 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.377 1.146 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.098 -1.617 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.971 -0.066 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.007 -0.573 2.628 1.00 0.00 H new ATOM 732 N THR A 41 1.090 4.318 4.425 1.00 0.00 N ATOM 733 CA THR A 41 0.568 5.595 4.903 1.00 0.00 C ATOM 734 C THR A 41 -0.826 5.863 4.343 1.00 0.00 C ATOM 735 O THR A 41 -1.206 5.309 3.311 1.00 0.00 O ATOM 736 CB THR A 41 1.519 6.734 4.520 1.00 0.00 C ATOM 737 OG1 THR A 41 2.730 6.222 3.991 1.00 0.00 O ATOM 738 CG2 THR A 41 1.875 7.632 5.684 1.00 0.00 C ATOM 0 H THR A 41 0.744 4.032 3.509 1.00 0.00 H new ATOM 0 HA THR A 41 0.494 5.544 5.989 1.00 0.00 H new ATOM 0 HB THR A 41 0.979 7.321 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.322 6.965 3.751 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.551 8.417 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.968 8.083 6.086 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.363 7.044 6.461 1.00 0.00 H new ATOM 746 N PRO A 42 -1.610 6.724 5.019 1.00 0.00 N ATOM 747 CA PRO A 42 -2.968 7.065 4.580 1.00 0.00 C ATOM 748 C PRO A 42 -3.015 7.471 3.111 1.00 0.00 C ATOM 749 O PRO A 42 -4.047 7.343 2.454 1.00 0.00 O ATOM 750 CB PRO A 42 -3.342 8.248 5.476 1.00 0.00 C ATOM 751 CG PRO A 42 -2.528 8.057 6.708 1.00 0.00 C ATOM 752 CD PRO A 42 -1.236 7.433 6.257 1.00 0.00 C ATOM 0 HA PRO A 42 -3.650 6.219 4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.114 9.198 4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.408 8.253 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.348 9.008 7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.044 7.414 7.421 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.470 8.186 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.837 6.749 7.006 1.00 0.00 H new ATOM 760 N LEU A 43 -1.886 7.954 2.602 1.00 0.00 N ATOM 761 CA LEU A 43 -1.787 8.373 1.208 1.00 0.00 C ATOM 762 C LEU A 43 -1.368 7.203 0.325 1.00 0.00 C ATOM 763 O LEU A 43 -1.739 7.124 -0.849 1.00 0.00 O ATOM 764 CB LEU A 43 -0.783 9.516 1.069 1.00 0.00 C ATOM 765 CG LEU A 43 -1.090 10.514 -0.051 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.433 11.876 0.529 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.087 10.623 -1.010 1.00 0.00 C ATOM 0 H LEU A 43 -1.024 8.065 3.136 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.768 8.721 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.737 10.057 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.206 9.092 0.896 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.953 10.149 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.648 12.573 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.308 11.787 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.589 12.246 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.151 11.337 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.969 10.963 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.287 9.647 -1.452 1.00 0.00 H new ATOM 779 N GLN A 44 -0.598 6.287 0.901 1.00 0.00 N ATOM 780 CA GLN A 44 -0.141 5.119 0.166 1.00 0.00 C ATOM 781 C GLN A 44 -1.240 4.075 0.123 1.00 0.00 C ATOM 782 O GLN A 44 -1.684 3.675 -0.940 1.00 0.00 O ATOM 783 CB GLN A 44 1.118 4.521 0.793 1.00 0.00 C ATOM 784 CG GLN A 44 2.063 5.554 1.386 1.00 0.00 C ATOM 785 CD GLN A 44 2.622 6.500 0.342 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.263 6.076 -0.620 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.382 7.794 0.528 1.00 0.00 N ATOM 0 H GLN A 44 -0.280 6.332 1.869 1.00 0.00 H new ATOM 0 HA GLN A 44 0.105 5.435 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.825 3.820 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.652 3.948 0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.535 6.129 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.886 5.043 1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.846 8.102 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.734 8.479 -0.141 1.00 0.00 H new ATOM 796 N VAL A 45 -1.684 3.650 1.296 1.00 0.00 N ATOM 797 CA VAL A 45 -2.742 2.651 1.409 1.00 0.00 C ATOM 798 C VAL A 45 -3.776 2.790 0.294 1.00 0.00 C ATOM 799 O VAL A 45 -4.216 1.801 -0.280 1.00 0.00 O ATOM 800 CB VAL A 45 -3.440 2.772 2.765 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.480 2.380 3.869 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.949 4.188 2.976 1.00 0.00 C ATOM 0 H VAL A 45 -1.326 3.983 2.191 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.274 1.671 1.319 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.297 2.098 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.980 2.467 4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.155 1.350 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.613 3.040 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.443 4.256 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.111 4.884 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.659 4.441 2.188 1.00 0.00 H new ATOM 812 N ARG A 46 -4.142 4.020 -0.028 1.00 0.00 N ATOM 813 CA ARG A 46 -5.107 4.260 -1.092 1.00 0.00 C ATOM 814 C ARG A 46 -4.488 3.968 -2.460 1.00 0.00 C ATOM 815 O ARG A 46 -4.963 3.098 -3.187 1.00 0.00 O ATOM 816 CB ARG A 46 -5.636 5.697 -1.044 1.00 0.00 C ATOM 817 CG ARG A 46 -4.614 6.720 -0.582 1.00 0.00 C ATOM 818 CD ARG A 46 -4.717 8.014 -1.375 1.00 0.00 C ATOM 819 NE ARG A 46 -6.087 8.520 -1.422 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.402 9.785 -1.694 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.450 10.676 -1.947 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.673 10.162 -1.713 1.00 0.00 N ATOM 0 H ARG A 46 -3.790 4.862 0.427 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.947 3.583 -0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.990 5.976 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.497 5.733 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.762 6.929 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.611 6.307 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.068 8.766 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.357 7.847 -2.390 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.847 7.866 -1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.470 10.393 -1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.699 11.643 -2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.409 9.483 -1.519 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.915 11.131 -1.921 1.00 0.00 H new ATOM 836 N VAL A 47 -3.422 4.690 -2.806 1.00 0.00 N ATOM 837 CA VAL A 47 -2.748 4.488 -4.090 1.00 0.00 C ATOM 838 C VAL A 47 -2.150 3.086 -4.187 1.00 0.00 C ATOM 839 O VAL A 47 -2.256 2.416 -5.214 1.00 0.00 O ATOM 840 CB VAL A 47 -1.621 5.518 -4.296 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.151 6.933 -4.132 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.473 5.250 -3.330 1.00 0.00 C ATOM 0 H VAL A 47 -3.008 5.415 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.504 4.615 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.241 5.417 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.339 7.645 -4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.934 7.116 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.560 7.054 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.315 5.986 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.836 5.322 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.076 4.250 -3.505 1.00 0.00 H new ATOM 852 N TRP A 48 -1.509 2.666 -3.106 1.00 0.00 N ATOM 853 CA TRP A 48 -0.870 1.367 -3.029 1.00 0.00 C ATOM 854 C TRP A 48 -1.894 0.244 -3.187 1.00 0.00 C ATOM 855 O TRP A 48 -1.741 -0.626 -4.044 1.00 0.00 O ATOM 856 CB TRP A 48 -0.117 1.245 -1.700 1.00 0.00 C ATOM 857 CG TRP A 48 1.354 1.012 -1.867 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.343 1.950 -1.789 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.002 -0.233 -2.140 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.567 1.362 -1.994 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.385 0.022 -2.212 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.548 -1.540 -2.329 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.315 -0.983 -2.464 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.471 -2.535 -2.579 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.842 -2.253 -2.643 1.00 0.00 C ATOM 0 H TRP A 48 -1.419 3.222 -2.255 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.156 1.273 -3.848 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.269 2.155 -1.120 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.544 0.424 -1.123 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.186 3.001 -1.595 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.466 1.845 -1.985 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.493 -1.768 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.372 -0.767 -2.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.131 -3.549 -2.728 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.539 -3.055 -2.838 1.00 0.00 H new ATOM 876 N PHE A 49 -2.946 0.271 -2.368 1.00 0.00 N ATOM 877 CA PHE A 49 -3.991 -0.744 -2.444 1.00 0.00 C ATOM 878 C PHE A 49 -4.789 -0.607 -3.739 1.00 0.00 C ATOM 879 O PHE A 49 -5.468 -1.539 -4.157 1.00 0.00 O ATOM 880 CB PHE A 49 -4.941 -0.650 -1.246 1.00 0.00 C ATOM 881 CG PHE A 49 -4.280 -0.885 0.086 1.00 0.00 C ATOM 882 CD1 PHE A 49 -3.184 -1.727 0.202 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.760 -0.259 1.226 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.581 -1.936 1.427 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.161 -0.466 2.452 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.070 -1.303 2.553 1.00 0.00 C ATOM 0 H PHE A 49 -3.095 0.980 -1.650 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.501 -1.717 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.404 0.337 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.743 -1.377 -1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.798 -2.225 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.613 0.399 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.728 -2.594 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.547 0.027 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.598 -1.463 3.511 1.00 0.00 H new ATOM 896 N ILE A 50 -4.709 0.557 -4.376 1.00 0.00 N ATOM 897 CA ILE A 50 -5.432 0.780 -5.621 1.00 0.00 C ATOM 898 C ILE A 50 -4.941 -0.184 -6.702 1.00 0.00 C ATOM 899 O ILE A 50 -5.726 -0.931 -7.285 1.00 0.00 O ATOM 900 CB ILE A 50 -5.292 2.249 -6.102 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.492 3.073 -5.631 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.158 2.332 -7.619 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.802 2.641 -6.254 1.00 0.00 C ATOM 0 H ILE A 50 -4.157 1.352 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.489 0.590 -5.432 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.381 2.658 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.572 2.997 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.316 4.123 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.062 3.375 -7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.273 1.780 -7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.043 1.900 -8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.609 3.268 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.741 2.743 -7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.001 1.600 -5.999 1.00 0.00 H new ATOM 915 N ASN A 51 -3.638 -0.165 -6.960 1.00 0.00 N ATOM 916 CA ASN A 51 -3.047 -1.039 -7.969 1.00 0.00 C ATOM 917 C ASN A 51 -2.881 -2.462 -7.439 1.00 0.00 C ATOM 918 O ASN A 51 -3.007 -3.430 -8.188 1.00 0.00 O ATOM 919 CB ASN A 51 -1.692 -0.488 -8.416 1.00 0.00 C ATOM 920 CG ASN A 51 -1.806 0.415 -9.628 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.618 -0.023 -10.763 1.00 0.00 O ATOM 922 ND2 ASN A 51 -2.117 1.683 -9.392 1.00 0.00 N ATOM 0 H ASN A 51 -2.971 0.444 -6.486 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.723 -1.070 -8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.240 0.067 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.024 -1.318 -8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.209 2.338 -10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.264 2.002 -8.435 1.00 0.00 H new ATOM 929 N LYS A 52 -2.594 -2.580 -6.146 1.00 0.00 N ATOM 930 CA LYS A 52 -2.407 -3.886 -5.521 1.00 0.00 C ATOM 931 C LYS A 52 -3.747 -4.564 -5.252 1.00 0.00 C ATOM 932 O LYS A 52 -3.852 -5.790 -5.290 1.00 0.00 O ATOM 933 CB LYS A 52 -1.626 -3.741 -4.214 1.00 0.00 C ATOM 934 CG LYS A 52 -0.121 -3.701 -4.412 1.00 0.00 C ATOM 935 CD LYS A 52 0.396 -5.005 -4.998 1.00 0.00 C ATOM 936 CE LYS A 52 1.909 -5.105 -4.890 1.00 0.00 C ATOM 937 NZ LYS A 52 2.443 -6.274 -5.644 1.00 0.00 N ATOM 0 H LYS A 52 -2.486 -1.789 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.839 -4.510 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.943 -2.828 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.876 -4.573 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.139 -2.875 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.368 -3.510 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.063 -5.846 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.100 -5.077 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.362 -4.190 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.194 -5.189 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.478 -6.307 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.031 -7.150 -5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.194 -6.182 -6.649 1.00 0.00 H new ATOM 951 N ARG A 53 -4.764 -3.759 -4.976 1.00 0.00 N ATOM 952 CA ARG A 53 -6.098 -4.278 -4.695 1.00 0.00 C ATOM 953 C ARG A 53 -7.140 -3.649 -5.613 1.00 0.00 C ATOM 954 O ARG A 53 -8.291 -3.467 -5.219 1.00 0.00 O ATOM 955 CB ARG A 53 -6.481 -4.018 -3.237 1.00 0.00 C ATOM 956 CG ARG A 53 -7.781 -4.694 -2.828 1.00 0.00 C ATOM 957 CD ARG A 53 -8.701 -3.734 -2.089 1.00 0.00 C ATOM 958 NE ARG A 53 -9.085 -2.595 -2.919 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.628 -1.478 -2.440 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.853 -1.347 -1.138 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.946 -0.490 -3.263 1.00 0.00 N ATOM 0 H ARG A 53 -4.692 -2.742 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.076 -5.353 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.678 -4.369 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.572 -2.943 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.288 -5.076 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.562 -5.552 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.596 -4.266 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.202 -3.375 -1.189 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.928 -2.659 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.610 -2.104 -0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.269 -0.489 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.775 -0.585 -4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.362 0.366 -2.896 1.00 0.00 H new ATOM 975 N MET A 54 -6.737 -3.315 -6.835 1.00 0.00 N ATOM 976 CA MET A 54 -7.648 -2.708 -7.801 1.00 0.00 C ATOM 977 C MET A 54 -8.949 -3.501 -7.901 1.00 0.00 C ATOM 978 O MET A 54 -9.070 -4.414 -8.718 1.00 0.00 O ATOM 979 CB MET A 54 -6.981 -2.617 -9.176 1.00 0.00 C ATOM 980 CG MET A 54 -7.149 -1.262 -9.845 1.00 0.00 C ATOM 981 SD MET A 54 -5.773 -0.851 -10.934 1.00 0.00 S ATOM 982 CE MET A 54 -5.730 -2.299 -11.987 1.00 0.00 C ATOM 0 H MET A 54 -5.787 -3.454 -7.180 1.00 0.00 H new ATOM 0 HA MET A 54 -7.886 -1.702 -7.454 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.918 -2.831 -9.070 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.398 -3.387 -9.825 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.076 -1.257 -10.419 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.244 -0.492 -9.079 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.549 -1.994 -13.018 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.930 -2.963 -11.660 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.684 -2.822 -11.925 1.00 0.00 H new ATOM 992 N ARG A 55 -9.913 -3.149 -7.058 1.00 0.00 N ATOM 993 CA ARG A 55 -11.202 -3.826 -7.043 1.00 0.00 C ATOM 994 C ARG A 55 -12.045 -3.411 -8.243 1.00 0.00 C ATOM 995 O ARG A 55 -12.680 -4.244 -8.888 1.00 0.00 O ATOM 996 CB ARG A 55 -11.950 -3.512 -5.746 1.00 0.00 C ATOM 997 CG ARG A 55 -11.325 -4.149 -4.515 1.00 0.00 C ATOM 998 CD ARG A 55 -12.175 -5.293 -3.981 1.00 0.00 C ATOM 999 NE ARG A 55 -11.363 -6.443 -3.592 1.00 0.00 N ATOM 1000 CZ ARG A 55 -10.892 -7.343 -4.451 1.00 0.00 C ATOM 1001 NH1 ARG A 55 -11.149 -7.231 -5.749 1.00 0.00 N ATOM 1002 NH2 ARG A 55 -10.161 -8.358 -4.013 1.00 0.00 N ATOM 0 H ARG A 55 -9.825 -2.397 -6.375 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.023 -4.900 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.984 -2.431 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.981 -3.854 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.330 -4.519 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.200 -3.395 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.749 -4.947 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.893 -5.597 -4.743 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.144 -6.563 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.710 -6.452 -6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.785 -7.924 -6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.960 -8.449 -3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.800 -9.048 -4.672 1.00 0.00 H new ATOM 1016 N SER A 56 -12.045 -2.114 -8.534 1.00 0.00 N ATOM 1017 CA SER A 56 -12.810 -1.582 -9.656 1.00 0.00 C ATOM 1018 C SER A 56 -12.320 -2.171 -10.975 1.00 0.00 C ATOM 1019 O SER A 56 -13.118 -2.563 -11.826 1.00 0.00 O ATOM 1020 CB SER A 56 -12.703 -0.057 -9.695 1.00 0.00 C ATOM 1021 OG SER A 56 -13.434 0.478 -10.785 1.00 0.00 O ATOM 0 H SER A 56 -11.524 -1.412 -8.008 1.00 0.00 H new ATOM 0 HA SER A 56 -13.854 -1.863 -9.518 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.079 0.361 -8.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.656 0.235 -9.777 1.00 0.00 H new ATOM 0 HG SER A 56 -13.351 1.454 -10.787 1.00 0.00 H new ATOM 1027 N LYS A 57 -11.002 -2.229 -11.138 1.00 0.00 N ATOM 1028 CA LYS A 57 -10.404 -2.769 -12.354 1.00 0.00 C ATOM 1029 C LYS A 57 -9.600 -4.030 -12.052 1.00 0.00 C ATOM 1030 O LYS A 57 -9.927 -4.716 -11.061 1.00 0.00 O ATOM 1031 CB LYS A 57 -9.504 -1.722 -13.014 1.00 0.00 C ATOM 1032 CG LYS A 57 -10.131 -0.340 -13.086 1.00 0.00 C ATOM 1033 CD LYS A 57 -9.772 0.369 -14.383 1.00 0.00 C ATOM 1034 CE LYS A 57 -10.766 0.048 -15.487 1.00 0.00 C ATOM 1035 NZ LYS A 57 -10.959 1.199 -16.412 1.00 0.00 N ATOM 1036 OXT LYS A 57 -8.650 -4.321 -12.809 1.00 0.00 O ATOM 0 H LYS A 57 -10.328 -1.909 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.210 -3.029 -13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.568 -1.659 -12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.256 -2.052 -14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.215 -0.426 -13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.795 0.258 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.748 1.446 -14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.771 0.073 -14.696 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.415 -0.816 -16.051 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.724 -0.227 -15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.644 0.940 -17.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.318 2.017 -15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.050 1.445 -16.854 1.00 0.00 H new TER 1050 LYS A 57