USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 996 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 53 LYS NZ :NH3+ 158:sc= -0.0191 (180deg=-0.282) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 45:sc= 1.03 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0.0182 X(o=0.018,f=-0.45) USER MOD Single : A 9 SER OG : rot 58:sc= 0.814 USER MOD Single : A 10 HIS : no HD1:sc= -1.77 X(o=-1.8,f=-1.6) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0255 X(o=-0.025,f=-0.034) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0497 K(o=-0.05,f=-0.62) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc=-0.00561 (180deg=-0.85) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 90:sc= -0.139 USER MOD Single : A 49 MET CE :methyl 155:sc=-0.00874 (180deg=-1.18) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 147:sc= -5.31! (180deg=-8.99!) USER MOD Single : A 60 THR OG1 : rot 118:sc= 0.757 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -144:sc= -2.25 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 83 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-0.73) USER MOD Single : A 94 ASN : amide:sc= -2 K(o=-2,f=-3.4!) USER MOD Single : A 99 GLN : amide:sc= -3.17! C(o=-3.2!,f=-4.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.4!) USER MOD Single : A 113 SER OG : rot 63:sc= 1.15 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 126 SER OG : rot -7:sc= 0.659 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.934 -14.641 -16.577 1.00 0.00 N ATOM 2 CA GLY A 1 -23.974 -15.519 -17.085 1.00 0.00 C ATOM 3 C GLY A 1 -24.011 -15.497 -18.615 1.00 0.00 C ATOM 4 O GLY A 1 -23.216 -16.172 -19.268 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.929 -14.674 -15.538 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.010 -14.953 -16.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.118 -13.667 -16.892 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.798 -16.537 -16.736 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.941 -15.209 -16.690 1.00 0.00 H new ATOM 8 N SER A 2 -24.942 -14.716 -19.141 1.00 0.00 N ATOM 9 CA SER A 2 -25.093 -14.598 -20.582 1.00 0.00 C ATOM 10 C SER A 2 -23.739 -14.293 -21.226 1.00 0.00 C ATOM 11 O SER A 2 -23.032 -13.384 -20.793 1.00 0.00 O ATOM 12 CB SER A 2 -26.109 -13.512 -20.942 1.00 0.00 C ATOM 13 OG SER A 2 -27.115 -13.995 -21.828 1.00 0.00 O ATOM 0 H SER A 2 -25.600 -14.158 -18.596 1.00 0.00 H new ATOM 0 HA SER A 2 -25.466 -15.548 -20.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.577 -13.137 -20.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.592 -12.671 -21.404 1.00 0.00 H new ATOM 0 HG SER A 2 -27.745 -13.273 -22.032 1.00 0.00 H new ATOM 19 N SER A 3 -23.419 -15.069 -22.251 1.00 0.00 N ATOM 20 CA SER A 3 -22.163 -14.893 -22.960 1.00 0.00 C ATOM 21 C SER A 3 -22.107 -13.499 -23.587 1.00 0.00 C ATOM 22 O SER A 3 -22.758 -13.244 -24.600 1.00 0.00 O ATOM 23 CB SER A 3 -21.982 -15.967 -24.034 1.00 0.00 C ATOM 24 OG SER A 3 -22.881 -15.787 -25.125 1.00 0.00 O ATOM 0 H SER A 3 -24.008 -15.821 -22.608 1.00 0.00 H new ATOM 0 HA SER A 3 -21.348 -14.994 -22.243 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.956 -15.943 -24.402 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.140 -16.951 -23.593 1.00 0.00 H new ATOM 0 HG SER A 3 -22.895 -14.842 -25.385 1.00 0.00 H new ATOM 30 N GLY A 4 -21.324 -12.634 -22.961 1.00 0.00 N ATOM 31 CA GLY A 4 -21.174 -11.272 -23.445 1.00 0.00 C ATOM 32 C GLY A 4 -19.703 -10.854 -23.459 1.00 0.00 C ATOM 33 O GLY A 4 -19.037 -10.947 -24.489 1.00 0.00 O ATOM 0 H GLY A 4 -20.786 -12.850 -22.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.588 -11.192 -24.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.743 -10.592 -22.811 1.00 0.00 H new ATOM 37 N SER A 5 -19.239 -10.400 -22.304 1.00 0.00 N ATOM 38 CA SER A 5 -17.858 -9.967 -22.170 1.00 0.00 C ATOM 39 C SER A 5 -17.621 -8.709 -23.008 1.00 0.00 C ATOM 40 O SER A 5 -17.704 -8.751 -24.234 1.00 0.00 O ATOM 41 CB SER A 5 -16.890 -11.075 -22.591 1.00 0.00 C ATOM 42 OG SER A 5 -16.106 -11.542 -21.497 1.00 0.00 O ATOM 0 H SER A 5 -19.795 -10.323 -21.452 1.00 0.00 H new ATOM 0 HA SER A 5 -17.671 -9.738 -21.121 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.453 -11.907 -23.015 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.232 -10.703 -23.376 1.00 0.00 H new ATOM 0 HG SER A 5 -15.502 -12.249 -21.806 1.00 0.00 H new ATOM 48 N SER A 6 -17.332 -7.619 -22.312 1.00 0.00 N ATOM 49 CA SER A 6 -17.083 -6.351 -22.976 1.00 0.00 C ATOM 50 C SER A 6 -18.352 -5.872 -23.683 1.00 0.00 C ATOM 51 O SER A 6 -18.806 -6.495 -24.642 1.00 0.00 O ATOM 52 CB SER A 6 -15.931 -6.470 -23.977 1.00 0.00 C ATOM 53 OG SER A 6 -14.691 -6.049 -23.416 1.00 0.00 O ATOM 0 H SER A 6 -17.265 -7.588 -21.295 1.00 0.00 H new ATOM 0 HA SER A 6 -16.798 -5.620 -22.220 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.846 -7.504 -24.310 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.153 -5.868 -24.858 1.00 0.00 H new ATOM 0 HG SER A 6 -13.981 -6.142 -24.085 1.00 0.00 H new ATOM 59 N GLY A 7 -18.890 -4.770 -23.181 1.00 0.00 N ATOM 60 CA GLY A 7 -20.099 -4.200 -23.753 1.00 0.00 C ATOM 61 C GLY A 7 -20.304 -2.760 -23.277 1.00 0.00 C ATOM 62 O GLY A 7 -20.345 -2.500 -22.075 1.00 0.00 O ATOM 0 H GLY A 7 -18.511 -4.257 -22.385 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.036 -4.222 -24.841 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.960 -4.806 -23.471 1.00 0.00 H new ATOM 66 N HIS A 8 -20.428 -1.863 -24.244 1.00 0.00 N ATOM 67 CA HIS A 8 -20.628 -0.457 -23.939 1.00 0.00 C ATOM 68 C HIS A 8 -22.086 -0.077 -24.204 1.00 0.00 C ATOM 69 O HIS A 8 -22.768 -0.728 -24.994 1.00 0.00 O ATOM 70 CB HIS A 8 -19.638 0.414 -24.714 1.00 0.00 C ATOM 71 CG HIS A 8 -19.874 0.433 -26.206 1.00 0.00 C ATOM 72 ND1 HIS A 8 -19.517 -0.617 -27.035 1.00 0.00 N ATOM 73 CD2 HIS A 8 -20.435 1.383 -27.008 1.00 0.00 C ATOM 74 CE1 HIS A 8 -19.851 -0.301 -28.277 1.00 0.00 C ATOM 75 NE2 HIS A 8 -20.420 0.939 -28.258 1.00 0.00 N ATOM 0 H HIS A 8 -20.394 -2.083 -25.239 1.00 0.00 H new ATOM 0 HA HIS A 8 -20.428 -0.279 -22.882 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -19.693 1.434 -24.335 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -18.627 0.056 -24.521 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -20.825 2.335 -26.681 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -19.700 -0.917 -29.151 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -20.775 1.442 -29.071 1.00 0.00 H new ATOM 83 N SER A 9 -22.522 0.977 -23.529 1.00 0.00 N ATOM 84 CA SER A 9 -23.887 1.452 -23.683 1.00 0.00 C ATOM 85 C SER A 9 -24.139 2.632 -22.741 1.00 0.00 C ATOM 86 O SER A 9 -24.493 3.722 -23.188 1.00 0.00 O ATOM 87 CB SER A 9 -24.893 0.332 -23.411 1.00 0.00 C ATOM 88 OG SER A 9 -25.400 -0.234 -24.617 1.00 0.00 O ATOM 0 H SER A 9 -21.954 1.515 -22.874 1.00 0.00 H new ATOM 0 HA SER A 9 -24.021 1.782 -24.713 1.00 0.00 H new ATOM 0 HB2 SER A 9 -24.416 -0.448 -22.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 -25.720 0.723 -22.818 1.00 0.00 H new ATOM 0 HG SER A 9 -24.656 -0.577 -25.155 1.00 0.00 H new ATOM 94 N HIS A 10 -23.947 2.374 -21.456 1.00 0.00 N ATOM 95 CA HIS A 10 -24.149 3.401 -20.448 1.00 0.00 C ATOM 96 C HIS A 10 -23.403 3.018 -19.169 1.00 0.00 C ATOM 97 O HIS A 10 -23.377 1.849 -18.787 1.00 0.00 O ATOM 98 CB HIS A 10 -25.641 3.646 -20.214 1.00 0.00 C ATOM 99 CG HIS A 10 -26.299 4.492 -21.278 1.00 0.00 C ATOM 100 ND1 HIS A 10 -27.403 4.068 -21.997 1.00 0.00 N ATOM 101 CD2 HIS A 10 -25.998 5.741 -21.735 1.00 0.00 C ATOM 102 CE1 HIS A 10 -27.741 5.027 -22.847 1.00 0.00 C ATOM 103 NE2 HIS A 10 -26.869 6.063 -22.683 1.00 0.00 N ATOM 0 H HIS A 10 -23.654 1.468 -21.089 1.00 0.00 H new ATOM 0 HA HIS A 10 -23.736 4.347 -20.799 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -26.153 2.685 -20.161 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -25.772 4.131 -19.247 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -25.188 6.363 -21.385 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -28.563 4.994 -23.547 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -26.884 6.940 -23.203 1.00 0.00 H new ATOM 111 N SER A 11 -22.815 4.025 -18.541 1.00 0.00 N ATOM 112 CA SER A 11 -22.071 3.809 -17.312 1.00 0.00 C ATOM 113 C SER A 11 -20.842 2.941 -17.590 1.00 0.00 C ATOM 114 O SER A 11 -20.758 1.808 -17.119 1.00 0.00 O ATOM 115 CB SER A 11 -22.950 3.157 -16.243 1.00 0.00 C ATOM 116 OG SER A 11 -24.191 3.839 -16.083 1.00 0.00 O ATOM 0 H SER A 11 -22.839 4.993 -18.860 1.00 0.00 H new ATOM 0 HA SER A 11 -21.746 4.778 -16.935 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.140 2.118 -16.514 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.417 3.147 -15.292 1.00 0.00 H new ATOM 0 HG SER A 11 -24.724 3.391 -15.393 1.00 0.00 H new ATOM 122 N ASP A 12 -19.919 3.506 -18.355 1.00 0.00 N ATOM 123 CA ASP A 12 -18.699 2.798 -18.701 1.00 0.00 C ATOM 124 C ASP A 12 -17.512 3.461 -17.998 1.00 0.00 C ATOM 125 O ASP A 12 -16.778 4.236 -18.608 1.00 0.00 O ATOM 126 CB ASP A 12 -18.442 2.848 -20.209 1.00 0.00 C ATOM 127 CG ASP A 12 -18.808 1.572 -20.970 1.00 0.00 C ATOM 128 OD1 ASP A 12 -19.893 1.027 -20.675 1.00 0.00 O ATOM 129 OD2 ASP A 12 -17.994 1.171 -21.829 1.00 0.00 O ATOM 0 H ASP A 12 -19.992 4.446 -18.745 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.812 1.760 -18.388 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.006 3.679 -20.631 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.386 3.062 -20.376 1.00 0.00 H new ATOM 134 N LYS A 13 -17.362 3.131 -16.723 1.00 0.00 N ATOM 135 CA LYS A 13 -16.278 3.685 -15.930 1.00 0.00 C ATOM 136 C LYS A 13 -15.359 2.551 -15.469 1.00 0.00 C ATOM 137 O LYS A 13 -15.404 2.144 -14.309 1.00 0.00 O ATOM 138 CB LYS A 13 -16.832 4.532 -14.783 1.00 0.00 C ATOM 139 CG LYS A 13 -17.366 5.871 -15.298 1.00 0.00 C ATOM 140 CD LYS A 13 -17.069 6.998 -14.308 1.00 0.00 C ATOM 141 CE LYS A 13 -16.504 8.225 -15.026 1.00 0.00 C ATOM 142 NZ LYS A 13 -16.268 9.325 -14.065 1.00 0.00 N ATOM 0 H LYS A 13 -17.973 2.487 -16.220 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.673 4.363 -16.532 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.630 3.988 -14.277 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.049 4.708 -14.045 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.913 6.101 -16.262 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.441 5.799 -15.461 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.981 7.271 -13.778 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.357 6.651 -13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.571 7.964 -15.525 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.198 8.553 -15.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.885 10.150 -14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.165 9.585 -13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.588 9.014 -13.342 1.00 0.00 H new ATOM 156 N HIS A 14 -14.547 2.074 -16.401 1.00 0.00 N ATOM 157 CA HIS A 14 -13.619 0.996 -16.105 1.00 0.00 C ATOM 158 C HIS A 14 -12.957 1.247 -14.749 1.00 0.00 C ATOM 159 O HIS A 14 -12.769 2.395 -14.349 1.00 0.00 O ATOM 160 CB HIS A 14 -12.605 0.826 -17.238 1.00 0.00 C ATOM 161 CG HIS A 14 -13.223 0.459 -18.566 1.00 0.00 C ATOM 162 ND1 HIS A 14 -13.975 -0.689 -18.751 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.194 1.099 -19.770 1.00 0.00 C ATOM 164 CE1 HIS A 14 -14.374 -0.728 -20.014 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.889 0.381 -20.644 1.00 0.00 N ATOM 0 H HIS A 14 -14.513 2.414 -17.362 1.00 0.00 H new ATOM 0 HA HIS A 14 -14.161 0.053 -16.036 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -12.046 1.754 -17.353 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.888 0.055 -16.957 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.691 2.032 -19.977 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.977 -1.502 -20.466 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.036 0.619 -21.625 1.00 0.00 H new ATOM 173 N PRO A 15 -12.613 0.125 -14.061 1.00 0.00 N ATOM 174 CA PRO A 15 -11.976 0.212 -12.758 1.00 0.00 C ATOM 175 C PRO A 15 -10.508 0.622 -12.892 1.00 0.00 C ATOM 176 O PRO A 15 -9.973 1.317 -12.030 1.00 0.00 O ATOM 177 CB PRO A 15 -12.154 -1.165 -12.140 1.00 0.00 C ATOM 178 CG PRO A 15 -12.470 -2.102 -13.295 1.00 0.00 C ATOM 179 CD PRO A 15 -12.821 -1.250 -14.504 1.00 0.00 C ATOM 0 HA PRO A 15 -12.420 0.979 -12.123 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.250 -1.479 -11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.961 -1.163 -11.407 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.614 -2.741 -13.514 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.300 -2.759 -13.037 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.186 -1.492 -15.357 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.852 -1.413 -14.818 1.00 0.00 H new ATOM 187 N VAL A 16 -9.898 0.174 -13.980 1.00 0.00 N ATOM 188 CA VAL A 16 -8.503 0.485 -14.237 1.00 0.00 C ATOM 189 C VAL A 16 -8.418 1.594 -15.288 1.00 0.00 C ATOM 190 O VAL A 16 -9.166 1.587 -16.265 1.00 0.00 O ATOM 191 CB VAL A 16 -7.750 -0.783 -14.645 1.00 0.00 C ATOM 192 CG1 VAL A 16 -6.247 -0.519 -14.751 1.00 0.00 C ATOM 193 CG2 VAL A 16 -8.038 -1.928 -13.671 1.00 0.00 C ATOM 0 H VAL A 16 -10.345 -0.402 -14.693 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.022 0.856 -13.332 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.107 -1.082 -15.630 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.736 -1.437 -15.042 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.065 0.251 -15.500 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.868 -0.183 -13.786 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.491 -2.818 -13.983 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.722 -1.641 -12.668 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.107 -2.142 -13.667 1.00 0.00 H new ATOM 203 N THR A 17 -7.500 2.519 -15.053 1.00 0.00 N ATOM 204 CA THR A 17 -7.307 3.632 -15.967 1.00 0.00 C ATOM 205 C THR A 17 -5.838 4.060 -15.984 1.00 0.00 C ATOM 206 O THR A 17 -5.240 4.281 -14.932 1.00 0.00 O ATOM 207 CB THR A 17 -8.262 4.754 -15.553 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.454 4.550 -14.156 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.660 4.582 -16.150 1.00 0.00 C ATOM 0 H THR A 17 -6.881 2.521 -14.242 1.00 0.00 H new ATOM 0 HA THR A 17 -7.542 3.347 -16.993 1.00 0.00 H new ATOM 0 HB THR A 17 -7.850 5.714 -15.863 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.060 5.236 -13.805 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.298 5.404 -15.825 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.594 4.582 -17.238 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.086 3.637 -15.813 1.00 0.00 H new ATOM 217 N TRP A 18 -5.300 4.165 -17.190 1.00 0.00 N ATOM 218 CA TRP A 18 -3.913 4.563 -17.358 1.00 0.00 C ATOM 219 C TRP A 18 -3.888 5.866 -18.159 1.00 0.00 C ATOM 220 O TRP A 18 -4.174 5.869 -19.355 1.00 0.00 O ATOM 221 CB TRP A 18 -3.097 3.445 -18.011 1.00 0.00 C ATOM 222 CG TRP A 18 -2.834 2.249 -17.093 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.602 1.167 -16.907 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.687 2.057 -16.239 1.00 0.00 C ATOM 225 NE1 TRP A 18 -3.037 0.296 -15.999 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.835 0.854 -15.580 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.561 2.873 -16.030 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.895 0.359 -14.668 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.369 2.364 -15.116 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.234 1.155 -14.444 1.00 0.00 C ATOM 0 H TRP A 18 -5.800 3.981 -18.060 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.443 4.740 -16.390 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.622 3.098 -18.901 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.142 3.852 -18.343 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.545 0.998 -17.405 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.429 -0.594 -15.692 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.425 3.818 -16.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.034 -0.586 -14.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.253 2.952 -14.919 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.997 0.831 -13.752 1.00 0.00 H new ATOM 241 N GLN A 19 -3.544 6.942 -17.467 1.00 0.00 N ATOM 242 CA GLN A 19 -3.479 8.249 -18.099 1.00 0.00 C ATOM 243 C GLN A 19 -2.198 8.976 -17.684 1.00 0.00 C ATOM 244 O GLN A 19 -1.665 8.734 -16.602 1.00 0.00 O ATOM 245 CB GLN A 19 -4.716 9.084 -17.762 1.00 0.00 C ATOM 246 CG GLN A 19 -5.986 8.425 -18.304 1.00 0.00 C ATOM 247 CD GLN A 19 -6.234 8.828 -19.759 1.00 0.00 C ATOM 248 OE1 GLN A 19 -6.088 9.976 -20.146 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.618 7.823 -20.541 1.00 0.00 N ATOM 0 H GLN A 19 -3.307 6.936 -16.475 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.460 8.107 -19.180 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.796 9.202 -16.681 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.611 10.083 -18.185 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.896 7.341 -18.233 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.840 8.715 -17.692 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.721 6.885 -20.153 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.810 7.990 -21.529 1.00 0.00 H new ATOM 258 N PRO A 20 -1.728 9.875 -18.589 1.00 0.00 N ATOM 259 CA PRO A 20 -0.520 10.639 -18.328 1.00 0.00 C ATOM 260 C PRO A 20 -0.783 11.750 -17.309 1.00 0.00 C ATOM 261 O PRO A 20 -1.922 12.177 -17.131 1.00 0.00 O ATOM 262 CB PRO A 20 -0.088 11.168 -19.686 1.00 0.00 C ATOM 263 CG PRO A 20 -1.314 11.074 -20.579 1.00 0.00 C ATOM 264 CD PRO A 20 -2.333 10.188 -19.881 1.00 0.00 C ATOM 0 HA PRO A 20 0.270 10.036 -17.880 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.262 12.197 -19.611 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.736 10.580 -20.090 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.731 12.065 -20.761 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.048 10.657 -21.550 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.286 10.702 -19.758 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.531 9.283 -20.456 1.00 0.00 H new ATOM 272 N SER A 21 0.291 12.186 -16.667 1.00 0.00 N ATOM 273 CA SER A 21 0.191 13.238 -15.670 1.00 0.00 C ATOM 274 C SER A 21 -0.083 14.580 -16.353 1.00 0.00 C ATOM 275 O SER A 21 -0.257 14.638 -17.569 1.00 0.00 O ATOM 276 CB SER A 21 1.465 13.322 -14.827 1.00 0.00 C ATOM 277 OG SER A 21 2.416 14.224 -15.385 1.00 0.00 O ATOM 0 H SER A 21 1.235 11.830 -16.818 1.00 0.00 H new ATOM 0 HA SER A 21 -0.638 13.000 -15.003 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.211 13.643 -13.817 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.911 12.331 -14.744 1.00 0.00 H new ATOM 0 HG SER A 21 3.214 14.251 -14.817 1.00 0.00 H new ATOM 283 N LYS A 22 -0.111 15.626 -15.540 1.00 0.00 N ATOM 284 CA LYS A 22 -0.360 16.964 -16.050 1.00 0.00 C ATOM 285 C LYS A 22 0.591 17.246 -17.215 1.00 0.00 C ATOM 286 O LYS A 22 0.156 17.651 -18.292 1.00 0.00 O ATOM 287 CB LYS A 22 -0.272 17.993 -14.921 1.00 0.00 C ATOM 288 CG LYS A 22 -1.251 19.146 -15.153 1.00 0.00 C ATOM 289 CD LYS A 22 -0.563 20.315 -15.860 1.00 0.00 C ATOM 290 CE LYS A 22 -1.555 21.092 -16.727 1.00 0.00 C ATOM 291 NZ LYS A 22 -1.977 22.336 -16.045 1.00 0.00 N ATOM 0 H LYS A 22 0.035 15.574 -14.532 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.375 17.040 -16.441 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.490 17.512 -13.968 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.744 18.381 -14.856 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.093 18.798 -15.752 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.656 19.481 -14.198 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.121 20.982 -15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.252 19.941 -16.480 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.097 21.334 -17.686 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.427 20.472 -16.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.650 22.851 -16.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.433 22.099 -15.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.145 22.934 -15.867 1.00 0.00 H new ATOM 305 N ASP A 23 1.872 17.021 -16.959 1.00 0.00 N ATOM 306 CA ASP A 23 2.888 17.246 -17.973 1.00 0.00 C ATOM 307 C ASP A 23 2.691 16.249 -19.117 1.00 0.00 C ATOM 308 O ASP A 23 2.292 16.631 -20.216 1.00 0.00 O ATOM 309 CB ASP A 23 4.292 17.038 -17.401 1.00 0.00 C ATOM 310 CG ASP A 23 5.430 17.192 -18.411 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.724 18.355 -18.763 1.00 0.00 O ATOM 312 OD2 ASP A 23 5.982 16.143 -18.809 1.00 0.00 O ATOM 0 H ASP A 23 2.229 16.685 -16.064 1.00 0.00 H new ATOM 0 HA ASP A 23 2.791 18.273 -18.326 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.447 17.750 -16.590 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.346 16.041 -16.964 1.00 0.00 H new ATOM 317 N GLY A 24 2.979 14.991 -18.819 1.00 0.00 N ATOM 318 CA GLY A 24 2.838 13.936 -19.808 1.00 0.00 C ATOM 319 C GLY A 24 4.011 12.956 -19.736 1.00 0.00 C ATOM 320 O GLY A 24 3.832 11.753 -19.919 1.00 0.00 O ATOM 0 H GLY A 24 3.310 14.678 -17.906 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.902 13.401 -19.644 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.785 14.372 -20.805 1.00 0.00 H new ATOM 324 N ASP A 25 5.186 13.508 -19.470 1.00 0.00 N ATOM 325 CA ASP A 25 6.388 12.698 -19.371 1.00 0.00 C ATOM 326 C ASP A 25 6.146 11.552 -18.386 1.00 0.00 C ATOM 327 O ASP A 25 6.815 10.522 -18.451 1.00 0.00 O ATOM 328 CB ASP A 25 7.568 13.524 -18.855 1.00 0.00 C ATOM 329 CG ASP A 25 8.502 14.065 -19.940 1.00 0.00 C ATOM 330 OD1 ASP A 25 7.969 14.483 -20.990 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.727 14.049 -19.693 1.00 0.00 O ATOM 0 H ASP A 25 5.331 14.506 -19.320 1.00 0.00 H new ATOM 0 HA ASP A 25 6.621 12.318 -20.366 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.180 14.364 -18.279 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.150 12.909 -18.169 1.00 0.00 H new ATOM 336 N ARG A 26 5.189 11.771 -17.497 1.00 0.00 N ATOM 337 CA ARG A 26 4.851 10.769 -16.500 1.00 0.00 C ATOM 338 C ARG A 26 3.521 10.099 -16.851 1.00 0.00 C ATOM 339 O ARG A 26 2.657 10.714 -17.475 1.00 0.00 O ATOM 340 CB ARG A 26 4.748 11.392 -15.106 1.00 0.00 C ATOM 341 CG ARG A 26 6.093 11.336 -14.380 1.00 0.00 C ATOM 342 CD ARG A 26 6.390 9.919 -13.885 1.00 0.00 C ATOM 343 NE ARG A 26 7.847 9.661 -13.934 1.00 0.00 N ATOM 344 CZ ARG A 26 8.727 10.154 -13.052 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.305 10.934 -12.049 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.030 9.867 -13.175 1.00 0.00 N ATOM 0 H ARG A 26 4.637 12.627 -17.446 1.00 0.00 H new ATOM 0 HA ARG A 26 5.647 10.024 -16.495 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.419 12.428 -15.190 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.994 10.864 -14.523 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.887 11.664 -15.051 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.084 12.026 -13.536 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.025 9.797 -12.865 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.862 9.191 -14.502 1.00 0.00 H new ATOM 0 HE ARG A 26 8.203 9.071 -14.686 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.313 11.153 -11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.975 11.309 -11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.352 9.274 -13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.700 10.242 -12.504 1.00 0.00 H new ATOM 360 N LEU A 27 3.397 8.848 -16.434 1.00 0.00 N ATOM 361 CA LEU A 27 2.187 8.087 -16.696 1.00 0.00 C ATOM 362 C LEU A 27 1.546 7.683 -15.367 1.00 0.00 C ATOM 363 O LEU A 27 2.159 6.978 -14.567 1.00 0.00 O ATOM 364 CB LEU A 27 2.487 6.905 -17.619 1.00 0.00 C ATOM 365 CG LEU A 27 1.517 6.701 -18.785 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.125 7.235 -18.440 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.067 7.322 -20.071 1.00 0.00 C ATOM 0 H LEU A 27 4.115 8.342 -15.916 1.00 0.00 H new ATOM 0 HA LEU A 27 1.459 8.700 -17.228 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.490 7.032 -18.025 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.499 5.995 -17.019 1.00 0.00 H new ATOM 0 HG LEU A 27 1.416 5.630 -18.962 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.545 7.078 -19.285 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.261 6.707 -17.568 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.188 8.301 -18.221 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.358 7.163 -20.884 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.216 8.392 -19.924 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.019 6.854 -20.323 1.00 0.00 H new ATOM 379 N ILE A 28 0.320 8.147 -15.173 1.00 0.00 N ATOM 380 CA ILE A 28 -0.411 7.842 -13.954 1.00 0.00 C ATOM 381 C ILE A 28 -1.372 6.682 -14.218 1.00 0.00 C ATOM 382 O ILE A 28 -2.308 6.813 -15.005 1.00 0.00 O ATOM 383 CB ILE A 28 -1.097 9.098 -13.413 1.00 0.00 C ATOM 384 CG1 ILE A 28 -0.118 10.273 -13.349 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.752 8.824 -12.058 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.154 9.886 -12.592 1.00 0.00 C ATOM 0 H ILE A 28 -0.185 8.731 -15.839 1.00 0.00 H new ATOM 0 HA ILE A 28 0.273 7.517 -13.170 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.892 9.378 -14.104 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.139 10.593 -14.359 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.594 11.121 -12.857 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.232 9.733 -11.696 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.499 8.038 -12.167 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.992 8.506 -11.344 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.833 10.738 -12.561 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.896 9.590 -11.575 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.641 9.053 -13.100 1.00 0.00 H new ATOM 398 N GLY A 29 -1.108 5.571 -13.545 1.00 0.00 N ATOM 399 CA GLY A 29 -1.938 4.389 -13.697 1.00 0.00 C ATOM 400 C GLY A 29 -2.780 4.144 -12.442 1.00 0.00 C ATOM 401 O GLY A 29 -2.291 4.297 -11.324 1.00 0.00 O ATOM 0 H GLY A 29 -0.331 5.465 -12.893 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.592 4.508 -14.561 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.308 3.521 -13.892 1.00 0.00 H new ATOM 405 N ARG A 30 -4.030 3.770 -12.671 1.00 0.00 N ATOM 406 CA ARG A 30 -4.943 3.503 -11.573 1.00 0.00 C ATOM 407 C ARG A 30 -5.505 2.084 -11.683 1.00 0.00 C ATOM 408 O ARG A 30 -6.096 1.724 -12.699 1.00 0.00 O ATOM 409 CB ARG A 30 -6.101 4.504 -11.564 1.00 0.00 C ATOM 410 CG ARG A 30 -6.075 5.361 -10.298 1.00 0.00 C ATOM 411 CD ARG A 30 -7.233 6.362 -10.289 1.00 0.00 C ATOM 412 NE ARG A 30 -6.982 7.434 -11.278 1.00 0.00 N ATOM 413 CZ ARG A 30 -7.915 8.296 -11.704 1.00 0.00 C ATOM 414 NH1 ARG A 30 -9.166 8.218 -11.231 1.00 0.00 N ATOM 415 NH2 ARG A 30 -7.597 9.237 -12.604 1.00 0.00 N ATOM 0 H ARG A 30 -4.432 3.646 -13.600 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.383 3.604 -10.643 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.039 5.146 -12.443 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.049 3.969 -11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.137 4.719 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.127 5.896 -10.236 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.168 5.852 -10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.345 6.793 -9.294 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.040 7.522 -11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.409 7.502 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.876 8.875 -11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.645 9.297 -12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.307 9.893 -12.928 1.00 0.00 H new ATOM 429 N ILE A 31 -5.301 1.318 -10.621 1.00 0.00 N ATOM 430 CA ILE A 31 -5.780 -0.054 -10.586 1.00 0.00 C ATOM 431 C ILE A 31 -6.801 -0.204 -9.457 1.00 0.00 C ATOM 432 O ILE A 31 -6.458 -0.070 -8.283 1.00 0.00 O ATOM 433 CB ILE A 31 -4.605 -1.029 -10.486 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.764 -1.007 -11.764 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.091 -2.439 -10.144 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.760 0.148 -11.740 1.00 0.00 C ATOM 0 H ILE A 31 -4.811 1.621 -9.779 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.293 -0.303 -11.515 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.959 -0.704 -9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.233 -1.953 -11.871 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.417 -0.908 -12.631 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.236 -3.113 -10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.613 -2.422 -9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.770 -2.788 -10.922 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.175 0.141 -12.660 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.295 1.094 -11.658 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.093 0.033 -10.885 1.00 0.00 H new ATOM 448 N LEU A 32 -8.036 -0.479 -9.851 1.00 0.00 N ATOM 449 CA LEU A 32 -9.109 -0.648 -8.886 1.00 0.00 C ATOM 450 C LEU A 32 -9.557 -2.111 -8.880 1.00 0.00 C ATOM 451 O LEU A 32 -9.713 -2.721 -9.937 1.00 0.00 O ATOM 452 CB LEU A 32 -10.243 0.340 -9.167 1.00 0.00 C ATOM 453 CG LEU A 32 -11.433 0.286 -8.207 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.375 -0.865 -8.567 1.00 0.00 C ATOM 455 CD2 LEU A 32 -10.962 0.208 -6.754 1.00 0.00 C ATOM 0 H LEU A 32 -8.317 -0.589 -10.825 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.757 -0.417 -7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.832 1.349 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.609 0.164 -10.178 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.000 1.211 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.212 -0.881 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.750 -0.725 -9.581 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.835 -1.810 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.827 0.171 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.360 -0.690 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.363 1.087 -6.518 1.00 0.00 H new ATOM 467 N LEU A 33 -9.751 -2.632 -7.677 1.00 0.00 N ATOM 468 CA LEU A 33 -10.178 -4.012 -7.519 1.00 0.00 C ATOM 469 C LEU A 33 -11.516 -4.046 -6.780 1.00 0.00 C ATOM 470 O LEU A 33 -11.770 -3.214 -5.910 1.00 0.00 O ATOM 471 CB LEU A 33 -9.081 -4.838 -6.844 1.00 0.00 C ATOM 472 CG LEU A 33 -7.759 -4.948 -7.606 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.999 -5.309 -9.073 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.933 -3.668 -7.459 1.00 0.00 C ATOM 0 H LEU A 33 -9.620 -2.123 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.340 -4.475 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.878 -4.404 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.464 -5.844 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.178 -5.759 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.043 -5.381 -9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.516 -6.267 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.609 -4.537 -9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.998 -3.773 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.496 -2.824 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.715 -3.495 -6.405 1.00 0.00 H new ATOM 486 N ASN A 34 -12.338 -5.017 -7.152 1.00 0.00 N ATOM 487 CA ASN A 34 -13.644 -5.170 -6.535 1.00 0.00 C ATOM 488 C ASN A 34 -13.834 -6.627 -6.109 1.00 0.00 C ATOM 489 O ASN A 34 -13.658 -7.541 -6.913 1.00 0.00 O ATOM 490 CB ASN A 34 -14.762 -4.815 -7.517 1.00 0.00 C ATOM 491 CG ASN A 34 -16.105 -4.682 -6.794 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.467 -3.632 -6.291 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.819 -5.804 -6.772 1.00 0.00 N ATOM 0 H ASN A 34 -12.124 -5.706 -7.873 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.692 -4.500 -5.676 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.523 -3.880 -8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.833 -5.584 -8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.730 -5.820 -6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.455 -6.649 -7.213 1.00 0.00 H new ATOM 500 N LYS A 35 -14.191 -6.799 -4.844 1.00 0.00 N ATOM 501 CA LYS A 35 -14.407 -8.129 -4.301 1.00 0.00 C ATOM 502 C LYS A 35 -15.905 -8.346 -4.075 1.00 0.00 C ATOM 503 O LYS A 35 -16.398 -9.467 -4.191 1.00 0.00 O ATOM 504 CB LYS A 35 -13.559 -8.340 -3.046 1.00 0.00 C ATOM 505 CG LYS A 35 -12.130 -7.836 -3.259 1.00 0.00 C ATOM 506 CD LYS A 35 -11.746 -6.808 -2.192 1.00 0.00 C ATOM 507 CE LYS A 35 -10.416 -7.175 -1.531 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.301 -6.436 -2.164 1.00 0.00 N ATOM 0 H LYS A 35 -14.336 -6.039 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.078 -8.888 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.012 -7.816 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.540 -9.399 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.436 -8.676 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.042 -7.388 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.671 -5.819 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.529 -6.753 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.456 -6.943 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.244 -8.248 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.478 -7.065 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.594 -6.104 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.046 -5.619 -1.573 1.00 0.00 H new ATOM 522 N ARG A 36 -16.586 -7.255 -3.756 1.00 0.00 N ATOM 523 CA ARG A 36 -18.018 -7.312 -3.513 1.00 0.00 C ATOM 524 C ARG A 36 -18.684 -8.285 -4.488 1.00 0.00 C ATOM 525 O ARG A 36 -18.753 -8.017 -5.687 1.00 0.00 O ATOM 526 CB ARG A 36 -18.658 -5.931 -3.664 1.00 0.00 C ATOM 527 CG ARG A 36 -18.886 -5.280 -2.298 1.00 0.00 C ATOM 528 CD ARG A 36 -19.416 -3.853 -2.453 1.00 0.00 C ATOM 529 NE ARG A 36 -20.648 -3.682 -1.651 1.00 0.00 N ATOM 530 CZ ARG A 36 -21.397 -2.570 -1.652 1.00 0.00 C ATOM 531 NH1 ARG A 36 -21.043 -1.525 -2.413 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.499 -2.504 -0.893 1.00 0.00 N ATOM 0 H ARG A 36 -16.173 -6.327 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 36 -18.167 -7.659 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.016 -5.293 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.608 -6.022 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.595 -5.874 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.951 -5.266 -1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.659 -3.138 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.623 -3.645 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.946 -4.459 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.204 -1.576 -2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -21.612 -0.679 -2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.768 -3.300 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.069 -1.658 -0.894 1.00 0.00 H new ATOM 546 N LEU A 37 -19.158 -9.393 -3.938 1.00 0.00 N ATOM 547 CA LEU A 37 -19.816 -10.407 -4.744 1.00 0.00 C ATOM 548 C LEU A 37 -21.094 -9.821 -5.348 1.00 0.00 C ATOM 549 O LEU A 37 -21.331 -8.617 -5.261 1.00 0.00 O ATOM 550 CB LEU A 37 -20.049 -11.676 -3.923 1.00 0.00 C ATOM 551 CG LEU A 37 -18.807 -12.298 -3.281 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.127 -12.852 -1.892 1.00 0.00 C ATOM 553 CD2 LEU A 37 -18.192 -13.360 -4.194 1.00 0.00 C ATOM 0 H LEU A 37 -19.099 -9.611 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.178 -10.707 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.766 -11.448 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.512 -12.422 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.061 -11.514 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.227 -13.288 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.484 -12.045 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.898 -13.618 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.311 -13.786 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.922 -14.148 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.904 -12.903 -5.141 1.00 0.00 H new ATOM 565 N LYS A 38 -21.885 -10.700 -5.946 1.00 0.00 N ATOM 566 CA LYS A 38 -23.133 -10.285 -6.564 1.00 0.00 C ATOM 567 C LYS A 38 -23.980 -9.532 -5.536 1.00 0.00 C ATOM 568 O LYS A 38 -24.642 -8.551 -5.872 1.00 0.00 O ATOM 569 CB LYS A 38 -23.847 -11.486 -7.187 1.00 0.00 C ATOM 570 CG LYS A 38 -24.330 -11.163 -8.603 1.00 0.00 C ATOM 571 CD LYS A 38 -23.532 -11.946 -9.647 1.00 0.00 C ATOM 572 CE LYS A 38 -24.463 -12.733 -10.572 1.00 0.00 C ATOM 573 NZ LYS A 38 -23.747 -13.145 -11.799 1.00 0.00 N ATOM 0 H LYS A 38 -21.686 -11.698 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.941 -9.596 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.171 -12.341 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.696 -11.771 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -25.389 -11.404 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -24.230 -10.094 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.924 -11.259 -10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.846 -12.630 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -24.843 -13.613 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -25.326 -12.121 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -24.393 -13.678 -12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -23.406 -12.301 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.938 -13.746 -11.543 1.00 0.00 H new ATOM 587 N ASP A 39 -23.932 -10.020 -4.305 1.00 0.00 N ATOM 588 CA ASP A 39 -24.687 -9.404 -3.227 1.00 0.00 C ATOM 589 C ASP A 39 -23.997 -8.106 -2.803 1.00 0.00 C ATOM 590 O ASP A 39 -24.660 -7.141 -2.427 1.00 0.00 O ATOM 591 CB ASP A 39 -24.752 -10.325 -2.006 1.00 0.00 C ATOM 592 CG ASP A 39 -26.156 -10.549 -1.440 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.994 -11.086 -2.197 1.00 0.00 O ATOM 594 OD2 ASP A 39 -26.360 -10.178 -0.264 1.00 0.00 O ATOM 0 H ASP A 39 -23.382 -10.834 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.697 -9.211 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.327 -11.292 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.122 -9.907 -1.221 1.00 0.00 H new ATOM 599 N GLY A 40 -22.674 -8.124 -2.878 1.00 0.00 N ATOM 600 CA GLY A 40 -21.887 -6.960 -2.508 1.00 0.00 C ATOM 601 C GLY A 40 -21.623 -6.934 -1.001 1.00 0.00 C ATOM 602 O GLY A 40 -21.896 -5.936 -0.337 1.00 0.00 O ATOM 0 H GLY A 40 -22.127 -8.927 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.940 -6.971 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -22.412 -6.052 -2.805 1.00 0.00 H new ATOM 606 N SER A 41 -21.096 -8.044 -0.506 1.00 0.00 N ATOM 607 CA SER A 41 -20.792 -8.161 0.910 1.00 0.00 C ATOM 608 C SER A 41 -19.363 -8.675 1.098 1.00 0.00 C ATOM 609 O SER A 41 -18.946 -8.965 2.219 1.00 0.00 O ATOM 610 CB SER A 41 -21.787 -9.088 1.612 1.00 0.00 C ATOM 611 OG SER A 41 -22.030 -8.688 2.958 1.00 0.00 O ATOM 0 H SER A 41 -20.872 -8.870 -1.060 1.00 0.00 H new ATOM 0 HA SER A 41 -20.877 -7.172 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.727 -9.095 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.403 -10.108 1.600 1.00 0.00 H new ATOM 0 HG SER A 41 -22.671 -9.303 3.371 1.00 0.00 H new ATOM 617 N VAL A 42 -18.653 -8.774 -0.016 1.00 0.00 N ATOM 618 CA VAL A 42 -17.280 -9.248 0.012 1.00 0.00 C ATOM 619 C VAL A 42 -17.249 -10.678 0.557 1.00 0.00 C ATOM 620 O VAL A 42 -17.878 -10.972 1.573 1.00 0.00 O ATOM 621 CB VAL A 42 -16.409 -8.283 0.819 1.00 0.00 C ATOM 622 CG1 VAL A 42 -15.124 -8.966 1.290 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.094 -7.022 0.010 1.00 0.00 C ATOM 0 H VAL A 42 -19.003 -8.534 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.865 -9.274 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.972 -7.983 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.524 -8.258 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.375 -9.819 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.556 -9.309 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.474 -6.353 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.560 -7.297 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.023 -6.517 -0.253 1.00 0.00 H new ATOM 633 N PRO A 43 -16.492 -11.550 -0.160 1.00 0.00 N ATOM 634 CA PRO A 43 -16.372 -12.942 0.241 1.00 0.00 C ATOM 635 C PRO A 43 -15.450 -13.085 1.454 1.00 0.00 C ATOM 636 O PRO A 43 -14.836 -12.112 1.889 1.00 0.00 O ATOM 637 CB PRO A 43 -15.849 -13.662 -0.991 1.00 0.00 C ATOM 638 CG PRO A 43 -15.258 -12.584 -1.885 1.00 0.00 C ATOM 639 CD PRO A 43 -15.734 -11.237 -1.367 1.00 0.00 C ATOM 0 HA PRO A 43 -17.321 -13.371 0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.095 -14.401 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.651 -14.196 -1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.169 -12.634 -1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.574 -12.729 -2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.894 -10.578 -1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.355 -10.727 -2.103 1.00 0.00 H new ATOM 647 N ARG A 44 -15.382 -14.306 1.964 1.00 0.00 N ATOM 648 CA ARG A 44 -14.546 -14.589 3.118 1.00 0.00 C ATOM 649 C ARG A 44 -13.221 -13.831 3.012 1.00 0.00 C ATOM 650 O ARG A 44 -12.758 -13.243 3.988 1.00 0.00 O ATOM 651 CB ARG A 44 -14.260 -16.087 3.237 1.00 0.00 C ATOM 652 CG ARG A 44 -15.232 -16.755 4.211 1.00 0.00 C ATOM 653 CD ARG A 44 -14.484 -17.379 5.391 1.00 0.00 C ATOM 654 NE ARG A 44 -14.523 -16.465 6.555 1.00 0.00 N ATOM 655 CZ ARG A 44 -15.556 -16.370 7.402 1.00 0.00 C ATOM 656 NH1 ARG A 44 -16.643 -17.132 7.221 1.00 0.00 N ATOM 657 NH2 ARG A 44 -15.503 -15.512 8.430 1.00 0.00 N ATOM 0 H ARG A 44 -15.892 -15.110 1.599 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.086 -14.262 4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.343 -16.556 2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.236 -16.239 3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.948 -16.019 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.803 -17.524 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.936 -18.336 5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.450 -17.581 5.111 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.712 -15.870 6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.684 -17.785 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.430 -17.060 7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.676 -14.931 8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.290 -15.440 9.075 1.00 0.00 H new ATOM 671 N ASP A 45 -12.647 -13.870 1.818 1.00 0.00 N ATOM 672 CA ASP A 45 -11.385 -13.195 1.571 1.00 0.00 C ATOM 673 C ASP A 45 -10.942 -13.460 0.131 1.00 0.00 C ATOM 674 O ASP A 45 -10.177 -14.389 -0.126 1.00 0.00 O ATOM 675 CB ASP A 45 -10.290 -13.714 2.506 1.00 0.00 C ATOM 676 CG ASP A 45 -10.557 -15.095 3.108 1.00 0.00 C ATOM 677 OD1 ASP A 45 -10.817 -16.022 2.311 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.493 -15.193 4.353 1.00 0.00 O ATOM 0 H ASP A 45 -13.034 -14.359 1.011 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.533 -12.129 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.350 -13.749 1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.157 -12.999 3.318 1.00 0.00 H new ATOM 683 N SER A 46 -11.442 -12.628 -0.771 1.00 0.00 N ATOM 684 CA SER A 46 -11.107 -12.761 -2.179 1.00 0.00 C ATOM 685 C SER A 46 -9.600 -12.588 -2.377 1.00 0.00 C ATOM 686 O SER A 46 -8.967 -13.382 -3.072 1.00 0.00 O ATOM 687 CB SER A 46 -11.873 -11.742 -3.025 1.00 0.00 C ATOM 688 OG SER A 46 -11.015 -11.033 -3.914 1.00 0.00 O ATOM 0 H SER A 46 -12.076 -11.859 -0.554 1.00 0.00 H new ATOM 0 HA SER A 46 -11.398 -13.759 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.645 -12.255 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.380 -11.034 -2.369 1.00 0.00 H new ATOM 0 HG SER A 46 -10.957 -11.514 -4.766 1.00 0.00 H new ATOM 694 N GLY A 47 -9.068 -11.547 -1.753 1.00 0.00 N ATOM 695 CA GLY A 47 -7.647 -11.261 -1.853 1.00 0.00 C ATOM 696 C GLY A 47 -7.298 -9.960 -1.127 1.00 0.00 C ATOM 697 O GLY A 47 -7.306 -8.887 -1.729 1.00 0.00 O ATOM 0 H GLY A 47 -9.596 -10.892 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.075 -12.085 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.361 -11.185 -2.902 1.00 0.00 H new ATOM 701 N ALA A 48 -7.000 -10.098 0.157 1.00 0.00 N ATOM 702 CA ALA A 48 -6.648 -8.947 0.972 1.00 0.00 C ATOM 703 C ALA A 48 -5.545 -8.151 0.272 1.00 0.00 C ATOM 704 O ALA A 48 -5.649 -6.934 0.129 1.00 0.00 O ATOM 705 CB ALA A 48 -6.233 -9.417 2.367 1.00 0.00 C ATOM 0 H ALA A 48 -6.995 -10.989 0.653 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.506 -8.285 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.969 -8.554 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.061 -9.951 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.372 -10.081 2.286 1.00 0.00 H new ATOM 711 N MET A 49 -4.513 -8.870 -0.144 1.00 0.00 N ATOM 712 CA MET A 49 -3.391 -8.246 -0.824 1.00 0.00 C ATOM 713 C MET A 49 -3.664 -8.114 -2.324 1.00 0.00 C ATOM 714 O MET A 49 -2.744 -7.888 -3.108 1.00 0.00 O ATOM 715 CB MET A 49 -2.130 -9.085 -0.606 1.00 0.00 C ATOM 716 CG MET A 49 -1.213 -8.437 0.432 1.00 0.00 C ATOM 717 SD MET A 49 0.371 -8.063 -0.302 1.00 0.00 S ATOM 718 CE MET A 49 0.811 -6.609 0.635 1.00 0.00 C ATOM 0 H MET A 49 -4.430 -9.879 -0.023 1.00 0.00 H new ATOM 0 HA MET A 49 -3.249 -7.248 -0.410 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.408 -10.086 -0.277 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.596 -9.197 -1.549 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.670 -7.525 0.814 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.080 -9.107 1.281 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.895 -6.498 0.647 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.361 -5.729 0.174 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.445 -6.710 1.657 1.00 0.00 H new ATOM 728 N LEU A 50 -4.933 -8.262 -2.677 1.00 0.00 N ATOM 729 CA LEU A 50 -5.338 -8.162 -4.069 1.00 0.00 C ATOM 730 C LEU A 50 -4.798 -9.367 -4.841 1.00 0.00 C ATOM 731 O LEU A 50 -5.567 -10.145 -5.403 1.00 0.00 O ATOM 732 CB LEU A 50 -4.913 -6.814 -4.656 1.00 0.00 C ATOM 733 CG LEU A 50 -5.551 -5.576 -4.023 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.014 -5.436 -4.446 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.394 -5.595 -2.501 1.00 0.00 C ATOM 0 H LEU A 50 -5.693 -8.450 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.424 -8.191 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.830 -6.726 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.146 -6.814 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.024 -4.695 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.444 -4.548 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.072 -5.343 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.571 -6.317 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.856 -4.704 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.879 -6.483 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.335 -5.611 -2.245 1.00 0.00 H new ATOM 747 N GLY A 51 -3.478 -9.484 -4.844 1.00 0.00 N ATOM 748 CA GLY A 51 -2.826 -10.581 -5.537 1.00 0.00 C ATOM 749 C GLY A 51 -1.324 -10.326 -5.677 1.00 0.00 C ATOM 750 O GLY A 51 -0.532 -11.266 -5.722 1.00 0.00 O ATOM 0 H GLY A 51 -2.843 -8.837 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.991 -11.510 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.271 -10.708 -6.524 1.00 0.00 H new ATOM 754 N LEU A 52 -0.977 -9.049 -5.742 1.00 0.00 N ATOM 755 CA LEU A 52 0.416 -8.657 -5.876 1.00 0.00 C ATOM 756 C LEU A 52 0.971 -8.282 -4.501 1.00 0.00 C ATOM 757 O LEU A 52 0.211 -8.091 -3.552 1.00 0.00 O ATOM 758 CB LEU A 52 0.564 -7.550 -6.922 1.00 0.00 C ATOM 759 CG LEU A 52 0.323 -6.123 -6.425 1.00 0.00 C ATOM 760 CD1 LEU A 52 -0.987 -6.030 -5.640 1.00 0.00 C ATOM 761 CD2 LEU A 52 1.516 -5.616 -5.613 1.00 0.00 C ATOM 0 H LEU A 52 -1.637 -8.272 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 52 1.012 -9.492 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.570 -7.604 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.131 -7.752 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 52 0.225 -5.471 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.134 -5.006 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.818 -6.321 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.943 -6.697 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.318 -4.600 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.671 -6.264 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.410 -5.622 -6.237 1.00 0.00 H new ATOM 773 N LYS A 53 2.291 -8.188 -4.436 1.00 0.00 N ATOM 774 CA LYS A 53 2.956 -7.839 -3.192 1.00 0.00 C ATOM 775 C LYS A 53 3.574 -6.446 -3.322 1.00 0.00 C ATOM 776 O LYS A 53 4.068 -6.079 -4.387 1.00 0.00 O ATOM 777 CB LYS A 53 3.961 -8.924 -2.799 1.00 0.00 C ATOM 778 CG LYS A 53 4.052 -9.063 -1.278 1.00 0.00 C ATOM 779 CD LYS A 53 5.000 -8.017 -0.687 1.00 0.00 C ATOM 780 CE LYS A 53 6.082 -8.679 0.167 1.00 0.00 C ATOM 781 NZ LYS A 53 7.318 -8.875 -0.622 1.00 0.00 N ATOM 0 H LYS A 53 2.918 -8.347 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 53 2.236 -7.793 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.663 -9.876 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.943 -8.679 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.061 -8.950 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.402 -10.063 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.465 -7.446 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.434 -7.310 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.295 -8.060 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.724 -9.640 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.130 -8.965 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.232 -9.740 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.463 -8.058 -1.249 1.00 0.00 H new ATOM 795 N VAL A 54 3.526 -5.707 -2.223 1.00 0.00 N ATOM 796 CA VAL A 54 4.075 -4.362 -2.202 1.00 0.00 C ATOM 797 C VAL A 54 5.031 -4.225 -1.015 1.00 0.00 C ATOM 798 O VAL A 54 4.779 -4.773 0.057 1.00 0.00 O ATOM 799 CB VAL A 54 2.942 -3.334 -2.177 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.495 -1.910 -2.100 1.00 0.00 C ATOM 801 CG2 VAL A 54 2.025 -3.501 -3.391 1.00 0.00 C ATOM 0 H VAL A 54 3.116 -6.014 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 54 4.650 -4.171 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 54 2.348 -3.511 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.669 -1.199 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.088 -1.798 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.123 -1.716 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.228 -2.759 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.603 -3.363 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.591 -4.501 -3.384 1.00 0.00 H new ATOM 811 N VAL A 55 6.110 -3.491 -1.247 1.00 0.00 N ATOM 812 CA VAL A 55 7.105 -3.276 -0.211 1.00 0.00 C ATOM 813 C VAL A 55 7.379 -1.776 -0.077 1.00 0.00 C ATOM 814 O VAL A 55 7.909 -1.154 -0.996 1.00 0.00 O ATOM 815 CB VAL A 55 8.365 -4.088 -0.518 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.586 -3.495 0.188 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.174 -5.559 -0.141 1.00 0.00 C ATOM 0 H VAL A 55 6.316 -3.038 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 55 6.735 -3.627 0.752 1.00 0.00 H new ATOM 0 HB VAL A 55 8.543 -4.037 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.468 -4.091 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.740 -2.470 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.421 -3.500 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.084 -6.114 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.959 -5.637 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.343 -5.975 -0.710 1.00 0.00 H new ATOM 827 N GLY A 56 7.006 -1.240 1.076 1.00 0.00 N ATOM 828 CA GLY A 56 7.204 0.175 1.342 1.00 0.00 C ATOM 829 C GLY A 56 8.459 0.403 2.187 1.00 0.00 C ATOM 830 O GLY A 56 9.282 -0.499 2.338 1.00 0.00 O ATOM 0 H GLY A 56 6.568 -1.760 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.292 0.717 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.334 0.577 1.861 1.00 0.00 H new ATOM 834 N GLY A 57 8.567 1.613 2.715 1.00 0.00 N ATOM 835 CA GLY A 57 9.708 1.971 3.540 1.00 0.00 C ATOM 836 C GLY A 57 11.022 1.709 2.802 1.00 0.00 C ATOM 837 O GLY A 57 12.080 1.623 3.423 1.00 0.00 O ATOM 0 H GLY A 57 7.883 2.358 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.646 3.024 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.686 1.397 4.466 1.00 0.00 H new ATOM 841 N LYS A 58 10.912 1.590 1.487 1.00 0.00 N ATOM 842 CA LYS A 58 12.078 1.339 0.658 1.00 0.00 C ATOM 843 C LYS A 58 12.919 2.614 0.570 1.00 0.00 C ATOM 844 O LYS A 58 12.428 3.658 0.144 1.00 0.00 O ATOM 845 CB LYS A 58 11.658 0.785 -0.705 1.00 0.00 C ATOM 846 CG LYS A 58 12.873 0.583 -1.613 1.00 0.00 C ATOM 847 CD LYS A 58 12.992 -0.877 -2.053 1.00 0.00 C ATOM 848 CE LYS A 58 12.417 -1.075 -3.457 1.00 0.00 C ATOM 849 NZ LYS A 58 13.469 -1.544 -4.387 1.00 0.00 N ATOM 0 H LYS A 58 10.033 1.663 0.975 1.00 0.00 H new ATOM 0 HA LYS A 58 12.707 0.571 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.138 -0.163 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.955 1.470 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.787 1.225 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.779 0.883 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.039 -1.181 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.464 -1.518 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.603 -1.799 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.995 -0.138 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.062 -1.673 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.233 -0.839 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.853 -2.449 -4.049 1.00 0.00 H new ATOM 863 N MET A 59 14.173 2.488 0.980 1.00 0.00 N ATOM 864 CA MET A 59 15.087 3.617 0.953 1.00 0.00 C ATOM 865 C MET A 59 15.614 3.861 -0.462 1.00 0.00 C ATOM 866 O MET A 59 16.387 3.061 -0.987 1.00 0.00 O ATOM 867 CB MET A 59 16.261 3.346 1.896 1.00 0.00 C ATOM 868 CG MET A 59 16.161 4.207 3.157 1.00 0.00 C ATOM 869 SD MET A 59 16.828 5.832 2.841 1.00 0.00 S ATOM 870 CE MET A 59 15.357 6.819 3.064 1.00 0.00 C ATOM 0 H MET A 59 14.577 1.621 1.333 1.00 0.00 H new ATOM 0 HA MET A 59 14.547 4.506 1.278 1.00 0.00 H new ATOM 0 HB2 MET A 59 16.275 2.291 2.171 1.00 0.00 H new ATOM 0 HB3 MET A 59 17.200 3.554 1.383 1.00 0.00 H new ATOM 0 HG2 MET A 59 15.120 4.287 3.471 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.705 3.734 3.974 1.00 0.00 H new ATOM 0 HE1 MET A 59 15.629 7.789 3.479 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.865 6.961 2.102 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.677 6.310 3.747 1.00 0.00 H new ATOM 880 N THR A 60 15.176 4.971 -1.039 1.00 0.00 N ATOM 881 CA THR A 60 15.595 5.331 -2.383 1.00 0.00 C ATOM 882 C THR A 60 17.016 5.897 -2.365 1.00 0.00 C ATOM 883 O THR A 60 17.706 5.821 -1.349 1.00 0.00 O ATOM 884 CB THR A 60 14.561 6.302 -2.955 1.00 0.00 C ATOM 885 OG1 THR A 60 14.516 7.362 -2.004 1.00 0.00 O ATOM 886 CG2 THR A 60 13.143 5.726 -2.938 1.00 0.00 C ATOM 0 H THR A 60 14.535 5.632 -0.600 1.00 0.00 H new ATOM 0 HA THR A 60 15.636 4.457 -3.033 1.00 0.00 H new ATOM 0 HB THR A 60 14.835 6.562 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.799 8.197 -2.432 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.449 6.456 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.113 4.815 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.856 5.497 -1.912 1.00 0.00 H new ATOM 894 N GLU A 61 17.412 6.452 -3.501 1.00 0.00 N ATOM 895 CA GLU A 61 18.738 7.031 -3.629 1.00 0.00 C ATOM 896 C GLU A 61 18.740 8.472 -3.115 1.00 0.00 C ATOM 897 O GLU A 61 19.800 9.073 -2.945 1.00 0.00 O ATOM 898 CB GLU A 61 19.228 6.964 -5.077 1.00 0.00 C ATOM 899 CG GLU A 61 18.497 7.986 -5.951 1.00 0.00 C ATOM 900 CD GLU A 61 18.748 7.716 -7.436 1.00 0.00 C ATOM 901 OE1 GLU A 61 18.936 6.528 -7.773 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.746 8.705 -8.200 1.00 0.00 O ATOM 0 H GLU A 61 16.837 6.513 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 61 19.428 6.448 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.301 7.153 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.068 5.961 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.427 7.946 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.833 8.992 -5.699 1.00 0.00 H new ATOM 909 N SER A 62 17.541 8.985 -2.882 1.00 0.00 N ATOM 910 CA SER A 62 17.392 10.345 -2.391 1.00 0.00 C ATOM 911 C SER A 62 17.010 10.327 -0.910 1.00 0.00 C ATOM 912 O SER A 62 16.538 11.329 -0.375 1.00 0.00 O ATOM 913 CB SER A 62 16.343 11.110 -3.201 1.00 0.00 C ATOM 914 OG SER A 62 16.933 11.892 -4.235 1.00 0.00 O ATOM 0 H SER A 62 16.664 8.484 -3.024 1.00 0.00 H new ATOM 0 HA SER A 62 18.347 10.858 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.637 10.404 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.774 11.759 -2.536 1.00 0.00 H new ATOM 0 HG SER A 62 16.231 12.363 -4.730 1.00 0.00 H new ATOM 920 N GLY A 63 17.228 9.177 -0.289 1.00 0.00 N ATOM 921 CA GLY A 63 16.913 9.015 1.120 1.00 0.00 C ATOM 922 C GLY A 63 15.412 9.177 1.368 1.00 0.00 C ATOM 923 O GLY A 63 15.001 9.663 2.420 1.00 0.00 O ATOM 0 H GLY A 63 17.619 8.348 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.237 8.031 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.464 9.751 1.706 1.00 0.00 H new ATOM 927 N ARG A 64 14.633 8.758 0.381 1.00 0.00 N ATOM 928 CA ARG A 64 13.186 8.850 0.478 1.00 0.00 C ATOM 929 C ARG A 64 12.573 7.454 0.596 1.00 0.00 C ATOM 930 O ARG A 64 13.232 6.456 0.310 1.00 0.00 O ATOM 931 CB ARG A 64 12.596 9.558 -0.743 1.00 0.00 C ATOM 932 CG ARG A 64 12.315 11.031 -0.440 1.00 0.00 C ATOM 933 CD ARG A 64 11.622 11.711 -1.623 1.00 0.00 C ATOM 934 NE ARG A 64 11.113 13.040 -1.215 1.00 0.00 N ATOM 935 CZ ARG A 64 10.041 13.226 -0.432 1.00 0.00 C ATOM 936 NH1 ARG A 64 9.360 12.170 0.033 1.00 0.00 N ATOM 937 NH2 ARG A 64 9.651 14.467 -0.114 1.00 0.00 N ATOM 0 H ARG A 64 14.977 8.354 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 64 12.949 9.431 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.288 9.481 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.673 9.063 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.688 11.110 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.250 11.545 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.322 11.819 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.799 11.091 -1.979 1.00 0.00 H new ATOM 0 HE ARG A 64 11.609 13.866 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.657 11.225 -0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.544 12.311 0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.170 15.271 -0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.835 14.608 0.482 1.00 0.00 H new ATOM 951 N LEU A 65 11.317 7.428 1.018 1.00 0.00 N ATOM 952 CA LEU A 65 10.607 6.170 1.178 1.00 0.00 C ATOM 953 C LEU A 65 9.481 6.091 0.145 1.00 0.00 C ATOM 954 O LEU A 65 8.801 7.082 -0.114 1.00 0.00 O ATOM 955 CB LEU A 65 10.130 6.004 2.622 1.00 0.00 C ATOM 956 CG LEU A 65 11.214 6.072 3.699 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.597 6.224 5.090 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.148 4.863 3.615 1.00 0.00 C ATOM 0 H LEU A 65 10.773 8.258 1.254 1.00 0.00 H new ATOM 0 HA LEU A 65 11.274 5.329 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.390 6.777 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.621 5.044 2.707 1.00 0.00 H new ATOM 0 HG LEU A 65 11.820 6.960 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.390 6.270 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.009 7.141 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.952 5.370 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.909 4.937 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.573 3.948 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.629 4.842 2.637 1.00 0.00 H new ATOM 970 N CYS A 66 9.319 4.901 -0.416 1.00 0.00 N ATOM 971 CA CYS A 66 8.287 4.680 -1.415 1.00 0.00 C ATOM 972 C CYS A 66 8.045 3.173 -1.530 1.00 0.00 C ATOM 973 O CYS A 66 8.917 2.374 -1.193 1.00 0.00 O ATOM 974 CB CYS A 66 8.660 5.302 -2.762 1.00 0.00 C ATOM 975 SG CYS A 66 7.433 6.580 -3.222 1.00 0.00 S ATOM 0 H CYS A 66 9.885 4.081 -0.198 1.00 0.00 H new ATOM 0 HA CYS A 66 7.366 5.173 -1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 66 9.654 5.745 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.699 4.530 -3.530 1.00 0.00 H new ATOM 0 HG CYS A 66 7.248 6.560 -4.509 1.00 0.00 H new ATOM 981 N ALA A 67 6.858 2.831 -2.007 1.00 0.00 N ATOM 982 CA ALA A 67 6.490 1.435 -2.171 1.00 0.00 C ATOM 983 C ALA A 67 6.584 1.058 -3.650 1.00 0.00 C ATOM 984 O ALA A 67 6.331 1.887 -4.523 1.00 0.00 O ATOM 985 CB ALA A 67 5.091 1.204 -1.598 1.00 0.00 C ATOM 0 H ALA A 67 6.138 3.497 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 67 7.177 0.791 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.816 0.157 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.085 1.458 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.373 1.832 -2.126 1.00 0.00 H new ATOM 991 N PHE A 68 6.948 -0.194 -3.887 1.00 0.00 N ATOM 992 CA PHE A 68 7.079 -0.691 -5.246 1.00 0.00 C ATOM 993 C PHE A 68 6.636 -2.153 -5.340 1.00 0.00 C ATOM 994 O PHE A 68 6.831 -2.926 -4.403 1.00 0.00 O ATOM 995 CB PHE A 68 8.560 -0.595 -5.618 1.00 0.00 C ATOM 996 CG PHE A 68 9.186 0.772 -5.330 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.016 1.796 -6.208 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.912 0.962 -4.196 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.597 3.064 -5.941 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.493 2.229 -3.928 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.323 3.254 -4.807 1.00 0.00 C ATOM 0 H PHE A 68 7.156 -0.879 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 68 6.452 -0.105 -5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.112 -1.359 -5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.673 -0.819 -6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.439 1.645 -7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.047 0.148 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.462 3.877 -6.639 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.070 2.380 -3.027 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.765 4.218 -4.604 1.00 0.00 H new ATOM 1011 N ILE A 69 6.049 -2.488 -6.479 1.00 0.00 N ATOM 1012 CA ILE A 69 5.577 -3.843 -6.708 1.00 0.00 C ATOM 1013 C ILE A 69 6.778 -4.779 -6.853 1.00 0.00 C ATOM 1014 O ILE A 69 7.645 -4.555 -7.697 1.00 0.00 O ATOM 1015 CB ILE A 69 4.618 -3.883 -7.899 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.372 -3.036 -7.629 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.263 -5.324 -8.269 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.529 -2.882 -8.897 1.00 0.00 C ATOM 0 H ILE A 69 5.889 -1.844 -7.254 1.00 0.00 H new ATOM 0 HA ILE A 69 5.000 -4.195 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 69 5.124 -3.445 -8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.775 -3.501 -6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.668 -2.053 -7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.580 -5.324 -9.119 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.171 -5.866 -8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.785 -5.811 -7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.650 -2.276 -8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.122 -2.395 -9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.214 -3.865 -9.246 1.00 0.00 H new ATOM 1030 N THR A 70 6.791 -5.808 -6.019 1.00 0.00 N ATOM 1031 CA THR A 70 7.872 -6.779 -6.044 1.00 0.00 C ATOM 1032 C THR A 70 7.509 -7.957 -6.950 1.00 0.00 C ATOM 1033 O THR A 70 8.302 -8.358 -7.801 1.00 0.00 O ATOM 1034 CB THR A 70 8.171 -7.191 -4.601 1.00 0.00 C ATOM 1035 OG1 THR A 70 7.086 -8.046 -4.253 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.054 -6.022 -3.622 1.00 0.00 C ATOM 0 H THR A 70 6.070 -5.991 -5.321 1.00 0.00 H new ATOM 0 HA THR A 70 8.780 -6.350 -6.469 1.00 0.00 H new ATOM 0 HB THR A 70 9.175 -7.612 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.200 -8.361 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.276 -6.369 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.762 -5.241 -3.901 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.041 -5.621 -3.653 1.00 0.00 H new ATOM 1044 N LYS A 71 6.310 -8.479 -6.737 1.00 0.00 N ATOM 1045 CA LYS A 71 5.833 -9.603 -7.523 1.00 0.00 C ATOM 1046 C LYS A 71 4.312 -9.510 -7.668 1.00 0.00 C ATOM 1047 O LYS A 71 3.641 -8.914 -6.828 1.00 0.00 O ATOM 1048 CB LYS A 71 6.313 -10.924 -6.918 1.00 0.00 C ATOM 1049 CG LYS A 71 6.044 -12.093 -7.867 1.00 0.00 C ATOM 1050 CD LYS A 71 7.103 -13.185 -7.707 1.00 0.00 C ATOM 1051 CE LYS A 71 7.269 -13.982 -9.002 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.273 -15.435 -8.719 1.00 0.00 N ATOM 0 H LYS A 71 5.655 -8.144 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 71 6.253 -9.569 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.380 -10.863 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.807 -11.098 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.056 -12.508 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.038 -11.736 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.056 -12.735 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.819 -13.856 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.459 -13.742 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.200 -13.699 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.387 -15.962 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.061 -15.662 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.374 -15.704 -8.270 1.00 0.00 H new ATOM 1066 N VAL A 72 3.814 -10.108 -8.740 1.00 0.00 N ATOM 1067 CA VAL A 72 2.386 -10.100 -9.006 1.00 0.00 C ATOM 1068 C VAL A 72 1.903 -11.536 -9.220 1.00 0.00 C ATOM 1069 O VAL A 72 2.546 -12.312 -9.925 1.00 0.00 O ATOM 1070 CB VAL A 72 2.079 -9.183 -10.191 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.570 -9.037 -10.395 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.743 -7.817 -10.014 1.00 0.00 C ATOM 0 H VAL A 72 4.374 -10.601 -9.435 1.00 0.00 H new ATOM 0 HA VAL A 72 1.841 -9.698 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 72 2.495 -9.644 -11.087 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.379 -8.380 -11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.133 -10.016 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.121 -8.610 -9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.509 -7.185 -10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.371 -7.347 -9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.823 -7.944 -9.942 1.00 0.00 H new ATOM 1082 N LYS A 73 0.774 -11.846 -8.599 1.00 0.00 N ATOM 1083 CA LYS A 73 0.198 -13.175 -8.712 1.00 0.00 C ATOM 1084 C LYS A 73 -0.400 -13.349 -10.110 1.00 0.00 C ATOM 1085 O LYS A 73 -1.306 -12.613 -10.497 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.801 -13.424 -7.581 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.345 -14.853 -7.635 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.283 -15.862 -7.193 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.874 -17.268 -7.081 1.00 0.00 C ATOM 1090 NZ LYS A 73 -0.358 -17.953 -5.875 1.00 0.00 N ATOM 0 H LYS A 73 0.243 -11.199 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 73 0.970 -13.936 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.318 -13.251 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.625 -12.714 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.221 -14.937 -6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.671 -15.084 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.540 -15.866 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.132 -15.561 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.961 -17.209 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.623 -17.846 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.769 -18.906 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.678 -18.026 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.619 -17.409 -5.028 1.00 0.00 H new ATOM 1104 N LYS A 74 0.133 -14.326 -10.829 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.337 -14.606 -12.175 1.00 0.00 C ATOM 1106 C LYS A 74 -1.718 -15.261 -12.103 1.00 0.00 C ATOM 1107 O LYS A 74 -1.832 -16.445 -11.790 1.00 0.00 O ATOM 1108 CB LYS A 74 0.697 -15.434 -12.942 1.00 0.00 C ATOM 1109 CG LYS A 74 0.084 -16.043 -14.205 1.00 0.00 C ATOM 1110 CD LYS A 74 -0.107 -17.553 -14.047 1.00 0.00 C ATOM 1111 CE LYS A 74 0.601 -18.315 -15.170 1.00 0.00 C ATOM 1112 NZ LYS A 74 2.032 -18.507 -14.843 1.00 0.00 N ATOM 0 H LYS A 74 0.886 -14.933 -10.505 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.452 -13.680 -12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.545 -14.804 -13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.081 -16.227 -12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.876 -15.571 -14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.729 -15.842 -15.060 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.285 -17.874 -13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.171 -17.792 -14.055 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.123 -19.283 -15.319 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.506 -17.765 -16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.498 -19.025 -15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.488 -17.580 -14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.117 -19.051 -13.960 1.00 0.00 H new ATOM 1126 N GLY A 75 -2.733 -14.462 -12.399 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.101 -14.949 -12.372 1.00 0.00 C ATOM 1128 C GLY A 75 -4.831 -14.464 -11.118 1.00 0.00 C ATOM 1129 O GLY A 75 -5.579 -15.219 -10.499 1.00 0.00 O ATOM 0 H GLY A 75 -2.635 -13.481 -12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.630 -14.606 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.104 -16.039 -12.400 1.00 0.00 H new ATOM 1133 N SER A 76 -4.589 -13.205 -10.781 1.00 0.00 N ATOM 1134 CA SER A 76 -5.214 -12.610 -9.612 1.00 0.00 C ATOM 1135 C SER A 76 -5.731 -11.210 -9.951 1.00 0.00 C ATOM 1136 O SER A 76 -5.380 -10.650 -10.989 1.00 0.00 O ATOM 1137 CB SER A 76 -4.236 -12.545 -8.438 1.00 0.00 C ATOM 1138 OG SER A 76 -4.785 -13.118 -7.254 1.00 0.00 O ATOM 0 H SER A 76 -3.969 -12.581 -11.297 1.00 0.00 H new ATOM 0 HA SER A 76 -6.054 -13.239 -9.315 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.317 -13.069 -8.702 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.967 -11.506 -8.247 1.00 0.00 H new ATOM 0 HG SER A 76 -4.130 -13.059 -6.528 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.555 -10.686 -9.056 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.123 -9.362 -9.247 1.00 0.00 C ATOM 1146 C LEU A 77 -6.050 -8.428 -9.812 1.00 0.00 C ATOM 1147 O LEU A 77 -6.172 -7.946 -10.937 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.755 -8.858 -7.949 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.170 -9.360 -7.652 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -9.432 -9.403 -6.145 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -10.215 -8.524 -8.392 1.00 0.00 C ATOM 0 H LEU A 77 -6.843 -11.154 -8.197 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.933 -9.396 -9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.108 -9.143 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.776 -7.769 -7.978 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.254 -10.382 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.444 -9.763 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.717 -10.074 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.322 -8.402 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.212 -8.902 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.140 -7.484 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.040 -8.590 -9.466 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.025 -8.201 -9.005 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.932 -7.333 -9.410 1.00 0.00 C ATOM 1165 C ALA A 78 -3.086 -8.046 -10.468 1.00 0.00 C ATOM 1166 O ALA A 78 -1.901 -8.297 -10.255 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.112 -6.936 -8.181 1.00 0.00 C ATOM 0 H ALA A 78 -4.928 -8.603 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.316 -6.416 -9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.292 -6.285 -8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.751 -6.408 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.708 -7.831 -7.708 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.729 -8.350 -11.586 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.051 -9.028 -12.678 1.00 0.00 C ATOM 1175 C ASP A 79 -4.058 -9.326 -13.791 1.00 0.00 C ATOM 1176 O ASP A 79 -3.773 -9.103 -14.967 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.452 -10.357 -12.214 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.225 -10.824 -13.000 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -1.177 -10.517 -14.211 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -0.363 -11.476 -12.372 1.00 0.00 O ATOM 0 H ASP A 79 -4.712 -8.139 -11.759 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.252 -8.378 -13.035 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.179 -10.267 -11.163 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.221 -11.127 -12.279 1.00 0.00 H new ATOM 1185 N THR A 80 -5.214 -9.826 -13.381 1.00 0.00 N ATOM 1186 CA THR A 80 -6.265 -10.157 -14.328 1.00 0.00 C ATOM 1187 C THR A 80 -7.072 -8.908 -14.687 1.00 0.00 C ATOM 1188 O THR A 80 -7.448 -8.718 -15.843 1.00 0.00 O ATOM 1189 CB THR A 80 -7.113 -11.276 -13.722 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.441 -10.796 -12.420 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.305 -12.547 -13.457 1.00 0.00 C ATOM 0 H THR A 80 -5.446 -10.010 -12.405 1.00 0.00 H new ATOM 0 HA THR A 80 -5.850 -10.519 -15.269 1.00 0.00 H new ATOM 0 HB THR A 80 -7.941 -11.506 -14.392 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.992 -11.460 -11.956 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.955 -13.309 -13.027 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.887 -12.914 -14.394 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.496 -12.325 -12.761 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.315 -8.089 -13.675 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.071 -6.863 -13.869 1.00 0.00 C ATOM 1201 C VAL A 81 -7.127 -5.664 -13.760 1.00 0.00 C ATOM 1202 O VAL A 81 -7.254 -4.698 -14.512 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.233 -6.802 -12.876 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.324 -7.809 -13.246 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.742 -7.026 -11.444 1.00 0.00 C ATOM 0 H VAL A 81 -7.002 -8.250 -12.718 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.512 -6.840 -14.866 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.667 -5.804 -12.929 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.138 -7.745 -12.524 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.704 -7.584 -14.243 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.908 -8.816 -13.235 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.587 -6.978 -10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.270 -8.006 -11.370 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.018 -6.254 -11.183 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.201 -5.764 -12.818 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.236 -4.700 -12.600 1.00 0.00 C ATOM 1217 C GLY A 82 -4.100 -4.773 -13.622 1.00 0.00 C ATOM 1218 O GLY A 82 -3.605 -3.744 -14.080 1.00 0.00 O ATOM 0 H GLY A 82 -6.098 -6.566 -12.196 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.733 -3.733 -12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.828 -4.775 -11.592 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.719 -5.999 -13.950 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.651 -6.219 -14.910 1.00 0.00 C ATOM 1224 C HIS A 83 -1.347 -5.625 -14.371 1.00 0.00 C ATOM 1225 O HIS A 83 -0.391 -5.436 -15.122 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.032 -5.665 -16.284 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.306 -6.245 -16.848 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.376 -7.518 -17.387 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.558 -5.714 -16.952 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -5.619 -7.732 -17.793 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.350 -6.613 -17.523 1.00 0.00 N ATOM 0 H HIS A 83 -4.131 -6.850 -13.568 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.494 -7.289 -15.046 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.139 -4.583 -16.211 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.217 -5.859 -16.981 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.855 -4.728 -16.625 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.989 -8.635 -18.257 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.342 -6.488 -17.726 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.351 -5.348 -13.076 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.181 -4.780 -12.429 1.00 0.00 C ATOM 1241 C LEU A 84 1.052 -5.608 -12.795 1.00 0.00 C ATOM 1242 O LEU A 84 0.928 -6.707 -13.335 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.411 -4.653 -10.921 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.508 -3.677 -10.490 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.060 -4.047 -9.112 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -1.006 -2.232 -10.537 1.00 0.00 C ATOM 0 H LEU A 84 -2.146 -5.506 -12.457 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.002 -3.766 -12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.654 -5.639 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.525 -4.345 -10.455 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.332 -3.755 -11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.838 -3.338 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.480 -5.052 -9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.256 -4.015 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.805 -1.559 -10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.155 -2.120 -9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.700 -1.986 -11.554 1.00 0.00 H new ATOM 1258 N ARG A 85 2.213 -5.051 -12.486 1.00 0.00 N ATOM 1259 CA ARG A 85 3.468 -5.724 -12.776 1.00 0.00 C ATOM 1260 C ARG A 85 4.529 -5.336 -11.745 1.00 0.00 C ATOM 1261 O ARG A 85 4.476 -4.248 -11.174 1.00 0.00 O ATOM 1262 CB ARG A 85 3.972 -5.370 -14.176 1.00 0.00 C ATOM 1263 CG ARG A 85 3.192 -6.131 -15.249 1.00 0.00 C ATOM 1264 CD ARG A 85 3.343 -7.643 -15.069 1.00 0.00 C ATOM 1265 NE ARG A 85 3.436 -8.304 -16.390 1.00 0.00 N ATOM 1266 CZ ARG A 85 3.570 -9.626 -16.561 1.00 0.00 C ATOM 1267 NH1 ARG A 85 3.628 -10.437 -15.496 1.00 0.00 N ATOM 1268 NH2 ARG A 85 3.646 -10.137 -17.797 1.00 0.00 N ATOM 0 H ARG A 85 2.312 -4.140 -12.037 1.00 0.00 H new ATOM 0 HA ARG A 85 3.287 -6.798 -12.729 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.873 -4.297 -14.341 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.033 -5.608 -14.255 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.138 -5.859 -15.199 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.549 -5.841 -16.237 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.235 -7.860 -14.481 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.492 -8.038 -14.515 1.00 0.00 H new ATOM 0 HE ARG A 85 3.396 -7.716 -17.223 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.570 -10.048 -14.555 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.730 -11.443 -15.626 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.602 -9.520 -18.608 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.748 -11.143 -17.927 1.00 0.00 H new ATOM 1282 N PRO A 86 5.494 -6.271 -11.533 1.00 0.00 N ATOM 1283 CA PRO A 86 6.566 -6.038 -10.581 1.00 0.00 C ATOM 1284 C PRO A 86 7.595 -5.055 -11.143 1.00 0.00 C ATOM 1285 O PRO A 86 8.350 -5.395 -12.053 1.00 0.00 O ATOM 1286 CB PRO A 86 7.150 -7.413 -10.301 1.00 0.00 C ATOM 1287 CG PRO A 86 6.696 -8.300 -11.448 1.00 0.00 C ATOM 1288 CD PRO A 86 5.588 -7.571 -12.191 1.00 0.00 C ATOM 0 HA PRO A 86 6.216 -5.573 -9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.238 -7.372 -10.246 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.797 -7.800 -9.345 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.529 -8.513 -12.118 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.337 -9.258 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.825 -7.463 -13.249 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.645 -8.115 -12.130 1.00 0.00 H new ATOM 1296 N GLY A 87 7.591 -3.856 -10.579 1.00 0.00 N ATOM 1297 CA GLY A 87 8.514 -2.822 -11.014 1.00 0.00 C ATOM 1298 C GLY A 87 7.847 -1.445 -10.985 1.00 0.00 C ATOM 1299 O GLY A 87 8.525 -0.421 -11.068 1.00 0.00 O ATOM 0 H GLY A 87 6.963 -3.578 -9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.392 -2.818 -10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.861 -3.041 -12.024 1.00 0.00 H new ATOM 1303 N ASP A 88 6.528 -1.464 -10.868 1.00 0.00 N ATOM 1304 CA ASP A 88 5.762 -0.229 -10.828 1.00 0.00 C ATOM 1305 C ASP A 88 5.820 0.355 -9.416 1.00 0.00 C ATOM 1306 O ASP A 88 6.027 -0.373 -8.446 1.00 0.00 O ATOM 1307 CB ASP A 88 4.294 -0.481 -11.177 1.00 0.00 C ATOM 1308 CG ASP A 88 3.941 -0.307 -12.655 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.233 0.788 -13.183 1.00 0.00 O ATOM 1310 OD2 ASP A 88 3.388 -1.273 -13.224 1.00 0.00 O ATOM 0 H ASP A 88 5.969 -2.315 -10.800 1.00 0.00 H new ATOM 0 HA ASP A 88 6.192 0.460 -11.555 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.033 -1.495 -10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.675 0.197 -10.589 1.00 0.00 H new ATOM 1315 N GLU A 89 5.632 1.665 -9.344 1.00 0.00 N ATOM 1316 CA GLU A 89 5.660 2.356 -8.066 1.00 0.00 C ATOM 1317 C GLU A 89 4.249 2.792 -7.667 1.00 0.00 C ATOM 1318 O GLU A 89 3.717 3.759 -8.210 1.00 0.00 O ATOM 1319 CB GLU A 89 6.612 3.553 -8.111 1.00 0.00 C ATOM 1320 CG GLU A 89 6.604 4.310 -6.781 1.00 0.00 C ATOM 1321 CD GLU A 89 7.636 5.439 -6.786 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.721 6.125 -7.827 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.318 5.590 -5.749 1.00 0.00 O ATOM 0 H GLU A 89 5.460 2.266 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 89 6.033 1.665 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.623 3.210 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.319 4.225 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.611 4.721 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.818 3.620 -5.965 1.00 0.00 H new ATOM 1330 N VAL A 90 3.682 2.057 -6.722 1.00 0.00 N ATOM 1331 CA VAL A 90 2.342 2.356 -6.244 1.00 0.00 C ATOM 1332 C VAL A 90 2.373 3.649 -5.427 1.00 0.00 C ATOM 1333 O VAL A 90 2.668 3.626 -4.233 1.00 0.00 O ATOM 1334 CB VAL A 90 1.789 1.165 -5.459 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.777 0.712 -4.382 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.426 1.496 -4.848 1.00 0.00 C ATOM 0 H VAL A 90 4.126 1.255 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 90 1.665 2.518 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 90 1.652 0.339 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.360 -0.136 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.716 0.416 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.961 1.533 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.056 0.632 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.527 2.344 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.277 1.748 -5.642 1.00 0.00 H new ATOM 1346 N LEU A 91 2.065 4.746 -6.103 1.00 0.00 N ATOM 1347 CA LEU A 91 2.054 6.046 -5.454 1.00 0.00 C ATOM 1348 C LEU A 91 1.096 6.008 -4.262 1.00 0.00 C ATOM 1349 O LEU A 91 1.505 6.237 -3.125 1.00 0.00 O ATOM 1350 CB LEU A 91 1.732 7.147 -6.467 1.00 0.00 C ATOM 1351 CG LEU A 91 2.872 7.549 -7.405 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.513 8.809 -8.195 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.185 7.709 -6.636 1.00 0.00 C ATOM 0 H LEU A 91 1.821 4.761 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 91 3.042 6.285 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.887 6.820 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.408 8.033 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 91 3.019 6.746 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.340 9.073 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.620 8.623 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.323 9.630 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.979 7.995 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.070 8.482 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.444 6.765 -6.157 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.161 5.717 -4.562 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.180 5.646 -3.529 1.00 0.00 C ATOM 1367 C GLU A 92 -1.786 4.242 -3.477 1.00 0.00 C ATOM 1368 O GLU A 92 -1.590 3.443 -4.391 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.264 6.703 -3.755 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.711 8.112 -3.531 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.688 9.172 -4.041 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.783 9.269 -3.445 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -2.320 9.861 -5.017 1.00 0.00 O ATOM 0 H GLU A 92 -0.497 5.528 -5.506 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.710 5.854 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.654 6.618 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.099 6.524 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.522 8.268 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.755 8.217 -4.044 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.511 3.985 -2.398 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.146 2.691 -2.214 1.00 0.00 C ATOM 1382 C TRP A 93 -4.510 2.923 -1.560 1.00 0.00 C ATOM 1383 O TRP A 93 -4.613 2.982 -0.336 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.250 1.749 -1.409 1.00 0.00 C ATOM 1385 CG TRP A 93 -2.909 0.415 -1.053 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -3.843 0.180 -0.121 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.645 -0.865 -1.664 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.199 -1.153 -0.087 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.447 -1.809 -1.055 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -1.758 -1.214 -2.697 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.443 -3.163 -1.410 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -1.765 -2.572 -3.040 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.566 -3.534 -2.437 1.00 0.00 C ATOM 0 H TRP A 93 -2.673 4.651 -1.642 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.299 2.197 -3.173 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.342 1.553 -1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -1.947 2.250 -0.489 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.264 0.938 0.522 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -4.887 -1.579 0.534 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.122 -0.492 -3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.081 -3.882 -0.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.101 -2.894 -3.829 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.513 -4.564 -2.759 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.522 3.049 -2.406 1.00 0.00 N ATOM 1405 CA ASN A 94 -6.875 3.273 -1.925 1.00 0.00 C ATOM 1406 C ASN A 94 -7.038 4.745 -1.540 1.00 0.00 C ATOM 1407 O ASN A 94 -8.122 5.171 -1.147 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.167 2.425 -0.685 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.606 1.907 -0.702 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.356 2.111 -1.643 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.949 1.226 0.388 1.00 0.00 N ATOM 0 H ASN A 94 -5.432 3.000 -3.421 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.566 2.996 -2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.474 1.584 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.001 3.019 0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.889 0.838 0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.272 1.092 1.139 1.00 0.00 H new ATOM 1418 N GLY A 95 -5.943 5.481 -1.666 1.00 0.00 N ATOM 1419 CA GLY A 95 -5.951 6.896 -1.336 1.00 0.00 C ATOM 1420 C GLY A 95 -4.785 7.249 -0.410 1.00 0.00 C ATOM 1421 O GLY A 95 -4.448 8.421 -0.250 1.00 0.00 O ATOM 0 H GLY A 95 -5.045 5.124 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.886 7.487 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.894 7.156 -0.855 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.201 6.214 0.175 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.080 6.400 1.080 1.00 0.00 C ATOM 1427 C ARG A 96 -1.793 6.641 0.289 1.00 0.00 C ATOM 1428 O ARG A 96 -1.438 5.848 -0.582 1.00 0.00 O ATOM 1429 CB ARG A 96 -2.894 5.180 1.985 1.00 0.00 C ATOM 1430 CG ARG A 96 -3.615 5.373 3.321 1.00 0.00 C ATOM 1431 CD ARG A 96 -5.110 5.616 3.106 1.00 0.00 C ATOM 1432 NE ARG A 96 -5.665 6.390 4.240 1.00 0.00 N ATOM 1433 CZ ARG A 96 -6.928 6.833 4.300 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -7.775 6.581 3.293 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -7.344 7.528 5.368 1.00 0.00 N ATOM 0 H ARG A 96 -4.483 5.243 0.040 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.296 7.269 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.278 4.290 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.832 5.013 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.472 4.492 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.179 6.217 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.268 6.157 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.632 4.664 3.015 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.047 6.599 5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.458 6.052 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.737 6.918 3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.699 7.719 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.305 7.865 5.414 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.128 7.738 0.621 1.00 0.00 N ATOM 1450 CA LEU A 97 0.112 8.093 -0.048 1.00 0.00 C ATOM 1451 C LEU A 97 1.253 7.245 0.519 1.00 0.00 C ATOM 1452 O LEU A 97 1.541 7.305 1.714 1.00 0.00 O ATOM 1453 CB LEU A 97 0.360 9.600 0.047 1.00 0.00 C ATOM 1454 CG LEU A 97 1.449 10.160 -0.870 1.00 0.00 C ATOM 1455 CD1 LEU A 97 0.851 10.670 -2.183 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.267 11.237 -0.156 1.00 0.00 C ATOM 0 H LEU A 97 -1.425 8.393 1.345 1.00 0.00 H new ATOM 0 HA LEU A 97 0.047 7.871 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.574 10.116 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.621 9.841 1.077 1.00 0.00 H new ATOM 0 HG LEU A 97 2.134 9.350 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.646 11.063 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.349 9.850 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.131 11.461 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.034 11.618 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.610 12.053 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.741 10.808 0.727 1.00 0.00 H new ATOM 1468 N LEU A 98 1.871 6.476 -0.365 1.00 0.00 N ATOM 1469 CA LEU A 98 2.974 5.617 0.033 1.00 0.00 C ATOM 1470 C LEU A 98 4.279 6.412 -0.023 1.00 0.00 C ATOM 1471 O LEU A 98 5.296 5.982 0.519 1.00 0.00 O ATOM 1472 CB LEU A 98 2.993 4.343 -0.814 1.00 0.00 C ATOM 1473 CG LEU A 98 1.640 3.660 -1.030 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.821 2.259 -1.617 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.825 3.639 0.264 1.00 0.00 C ATOM 0 H LEU A 98 1.629 6.430 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 98 2.846 5.285 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.415 4.585 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.668 3.628 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 98 1.075 4.243 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.845 1.796 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.334 2.330 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.414 1.652 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.132 3.149 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.374 3.093 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.651 4.661 0.601 1.00 0.00 H new ATOM 1487 N GLN A 99 4.209 7.558 -0.684 1.00 0.00 N ATOM 1488 CA GLN A 99 5.373 8.418 -0.817 1.00 0.00 C ATOM 1489 C GLN A 99 5.809 8.938 0.554 1.00 0.00 C ATOM 1490 O GLN A 99 5.100 9.728 1.176 1.00 0.00 O ATOM 1491 CB GLN A 99 5.093 9.574 -1.779 1.00 0.00 C ATOM 1492 CG GLN A 99 5.300 9.141 -3.232 1.00 0.00 C ATOM 1493 CD GLN A 99 4.759 10.195 -4.201 1.00 0.00 C ATOM 1494 OE1 GLN A 99 3.873 10.970 -3.883 1.00 0.00 O ATOM 1495 NE2 GLN A 99 5.339 10.178 -5.397 1.00 0.00 N ATOM 0 H GLN A 99 3.364 7.911 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 99 6.189 7.830 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.070 9.925 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.751 10.412 -1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.362 8.980 -3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.798 8.189 -3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.076 9.502 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.047 10.841 -6.115 1.00 0.00 H new ATOM 1504 N GLY A 100 6.973 8.475 0.985 1.00 0.00 N ATOM 1505 CA GLY A 100 7.511 8.884 2.271 1.00 0.00 C ATOM 1506 C GLY A 100 7.042 7.945 3.385 1.00 0.00 C ATOM 1507 O GLY A 100 7.663 7.875 4.445 1.00 0.00 O ATOM 0 H GLY A 100 7.559 7.820 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.600 8.889 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.196 9.904 2.493 1.00 0.00 H new ATOM 1511 N ALA A 101 5.951 7.248 3.107 1.00 0.00 N ATOM 1512 CA ALA A 101 5.391 6.317 4.073 1.00 0.00 C ATOM 1513 C ALA A 101 6.463 5.303 4.477 1.00 0.00 C ATOM 1514 O ALA A 101 7.368 5.007 3.698 1.00 0.00 O ATOM 1515 CB ALA A 101 4.150 5.649 3.478 1.00 0.00 C ATOM 0 H ALA A 101 5.439 7.309 2.227 1.00 0.00 H new ATOM 0 HA ALA A 101 5.077 6.842 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.730 4.951 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.408 6.410 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.426 5.110 2.572 1.00 0.00 H new ATOM 1521 N THR A 102 6.326 4.797 5.693 1.00 0.00 N ATOM 1522 CA THR A 102 7.271 3.822 6.210 1.00 0.00 C ATOM 1523 C THR A 102 6.753 2.401 5.976 1.00 0.00 C ATOM 1524 O THR A 102 5.552 2.194 5.815 1.00 0.00 O ATOM 1525 CB THR A 102 7.522 4.142 7.685 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.352 3.667 8.347 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.524 5.646 7.966 1.00 0.00 C ATOM 0 H THR A 102 5.574 5.044 6.336 1.00 0.00 H new ATOM 0 HA THR A 102 8.224 3.878 5.684 1.00 0.00 H new ATOM 0 HB THR A 102 8.476 3.714 7.992 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.431 3.833 9.310 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.706 5.818 9.027 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.309 6.124 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.558 6.069 7.691 1.00 0.00 H new ATOM 1535 N PHE A 103 7.686 1.460 5.964 1.00 0.00 N ATOM 1536 CA PHE A 103 7.339 0.066 5.752 1.00 0.00 C ATOM 1537 C PHE A 103 6.053 -0.299 6.498 1.00 0.00 C ATOM 1538 O PHE A 103 5.162 -0.931 5.933 1.00 0.00 O ATOM 1539 CB PHE A 103 8.492 -0.772 6.308 1.00 0.00 C ATOM 1540 CG PHE A 103 8.251 -2.281 6.247 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.525 -2.968 5.105 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.763 -2.937 7.334 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.302 -4.369 5.048 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.540 -4.338 7.277 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.814 -5.025 6.135 1.00 0.00 C ATOM 0 H PHE A 103 8.682 1.636 6.098 1.00 0.00 H new ATOM 0 HA PHE A 103 7.177 -0.119 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.399 -0.537 5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.670 -0.485 7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.912 -2.447 4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.545 -2.392 8.241 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.520 -4.914 4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.153 -4.859 8.140 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.644 -6.091 6.092 1.00 0.00 H new ATOM 1555 N GLU A 104 5.999 0.114 7.755 1.00 0.00 N ATOM 1556 CA GLU A 104 4.838 -0.161 8.584 1.00 0.00 C ATOM 1557 C GLU A 104 3.588 0.479 7.976 1.00 0.00 C ATOM 1558 O GLU A 104 2.563 -0.182 7.818 1.00 0.00 O ATOM 1559 CB GLU A 104 5.060 0.325 10.018 1.00 0.00 C ATOM 1560 CG GLU A 104 6.157 -0.489 10.709 1.00 0.00 C ATOM 1561 CD GLU A 104 6.970 0.387 11.664 1.00 0.00 C ATOM 1562 OE1 GLU A 104 7.519 1.399 11.177 1.00 0.00 O ATOM 1563 OE2 GLU A 104 7.024 0.025 12.859 1.00 0.00 O ATOM 0 H GLU A 104 6.741 0.637 8.220 1.00 0.00 H new ATOM 0 HA GLU A 104 4.689 -1.240 8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.335 1.380 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.131 0.242 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.709 -1.316 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.817 -0.926 9.960 1.00 0.00 H new ATOM 1570 N GLU A 105 3.715 1.757 7.651 1.00 0.00 N ATOM 1571 CA GLU A 105 2.608 2.493 7.064 1.00 0.00 C ATOM 1572 C GLU A 105 2.027 1.720 5.879 1.00 0.00 C ATOM 1573 O GLU A 105 0.889 1.256 5.934 1.00 0.00 O ATOM 1574 CB GLU A 105 3.047 3.897 6.642 1.00 0.00 C ATOM 1575 CG GLU A 105 2.133 4.963 7.250 1.00 0.00 C ATOM 1576 CD GLU A 105 1.273 5.628 6.173 1.00 0.00 C ATOM 1577 OE1 GLU A 105 1.765 6.614 5.584 1.00 0.00 O ATOM 1578 OE2 GLU A 105 0.144 5.134 5.964 1.00 0.00 O ATOM 0 H GLU A 105 4.567 2.302 7.783 1.00 0.00 H new ATOM 0 HA GLU A 105 1.828 2.603 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.075 4.071 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.031 3.976 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.490 4.509 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.735 5.717 7.757 1.00 0.00 H new ATOM 1585 N VAL A 106 2.834 1.606 4.834 1.00 0.00 N ATOM 1586 CA VAL A 106 2.413 0.898 3.637 1.00 0.00 C ATOM 1587 C VAL A 106 1.632 -0.355 4.039 1.00 0.00 C ATOM 1588 O VAL A 106 0.503 -0.556 3.595 1.00 0.00 O ATOM 1589 CB VAL A 106 3.627 0.589 2.758 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.208 -0.150 1.486 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.399 1.866 2.422 1.00 0.00 C ATOM 0 H VAL A 106 3.777 1.992 4.792 1.00 0.00 H new ATOM 0 HA VAL A 106 1.746 1.520 3.040 1.00 0.00 H new ATOM 0 HB VAL A 106 4.292 -0.065 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.089 -0.358 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.722 -1.088 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.514 0.469 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.257 1.619 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.746 2.556 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.745 2.335 3.343 1.00 0.00 H new ATOM 1601 N TYR A 107 2.264 -1.164 4.877 1.00 0.00 N ATOM 1602 CA TYR A 107 1.642 -2.392 5.344 1.00 0.00 C ATOM 1603 C TYR A 107 0.269 -2.111 5.959 1.00 0.00 C ATOM 1604 O TYR A 107 -0.744 -2.619 5.482 1.00 0.00 O ATOM 1605 CB TYR A 107 2.569 -2.949 6.426 1.00 0.00 C ATOM 1606 CG TYR A 107 2.245 -4.384 6.844 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.023 -4.678 7.414 1.00 0.00 C ATOM 1608 CD2 TYR A 107 3.176 -5.385 6.651 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.719 -6.030 7.807 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.871 -6.737 7.045 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.658 -6.992 7.603 1.00 0.00 C ATOM 1612 OH TYR A 107 1.371 -8.269 7.975 1.00 0.00 O ATOM 0 H TYR A 107 3.200 -0.993 5.245 1.00 0.00 H new ATOM 0 HA TYR A 107 1.499 -3.089 4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.597 -2.910 6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.515 -2.305 7.304 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.295 -3.895 7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.132 -5.155 6.205 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.233 -6.274 8.254 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.590 -7.530 6.900 1.00 0.00 H new ATOM 0 HH TYR A 107 2.133 -8.849 7.769 1.00 0.00 H new ATOM 1622 N ASN A 108 0.281 -1.304 7.009 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.950 -0.950 7.695 1.00 0.00 C ATOM 1624 C ASN A 108 -2.008 -0.554 6.663 1.00 0.00 C ATOM 1625 O ASN A 108 -3.105 -1.110 6.649 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.736 0.240 8.632 1.00 0.00 C ATOM 1627 CG ASN A 108 -0.356 -0.230 10.038 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.718 -1.309 10.478 1.00 0.00 O ATOM 1629 ND2 ASN A 108 0.392 0.636 10.714 1.00 0.00 N ATOM 0 H ASN A 108 1.124 -0.885 7.402 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.272 -1.814 8.277 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.049 0.883 8.235 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.645 0.839 8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 108 0.699 0.414 11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 108 0.659 1.522 10.286 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.641 0.403 5.823 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.544 0.879 4.790 1.00 0.00 C ATOM 1638 C ILE A 109 -3.246 -0.316 4.141 1.00 0.00 C ATOM 1639 O ILE A 109 -4.462 -0.460 4.250 1.00 0.00 O ATOM 1640 CB ILE A 109 -1.798 1.769 3.794 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.220 3.004 4.488 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -2.696 2.144 2.613 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.332 3.805 3.534 1.00 0.00 C ATOM 0 H ILE A 109 -0.730 0.861 5.837 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.321 1.508 5.224 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.958 1.202 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.032 3.635 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.641 2.698 5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.141 2.777 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.018 1.238 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.570 2.684 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.066 4.677 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.492 3.179 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.920 4.130 2.676 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.448 -1.142 3.480 1.00 0.00 N ATOM 1656 CA ILE A 110 -2.977 -2.320 2.814 1.00 0.00 C ATOM 1657 C ILE A 110 -3.847 -3.108 3.795 1.00 0.00 C ATOM 1658 O ILE A 110 -4.862 -3.683 3.405 1.00 0.00 O ATOM 1659 CB ILE A 110 -1.842 -3.143 2.200 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.292 -2.467 0.943 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.292 -4.580 1.928 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.237 -2.414 0.973 1.00 0.00 C ATOM 0 H ILE A 110 -1.439 -1.019 3.392 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.618 -2.031 1.981 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.027 -3.192 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.623 -3.011 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.693 -1.456 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.467 -5.143 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.597 -5.049 2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.133 -4.573 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.602 -1.929 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.564 -1.848 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.635 -3.427 1.027 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.418 -3.109 5.048 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.146 -3.817 6.088 1.00 0.00 C ATOM 1676 C LEU A 111 -5.463 -3.090 6.367 1.00 0.00 C ATOM 1677 O LEU A 111 -6.446 -3.711 6.769 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.268 -3.998 7.328 1.00 0.00 C ATOM 1679 CG LEU A 111 -4.008 -4.254 8.642 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.416 -5.724 8.763 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -3.177 -3.789 9.839 1.00 0.00 C ATOM 0 H LEU A 111 -2.575 -2.631 5.367 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.401 -4.824 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.588 -4.831 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.654 -3.105 7.448 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.925 -3.664 8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.940 -5.880 9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -5.073 -5.989 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.526 -6.352 8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.726 -3.983 10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.232 -4.332 9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.980 -2.721 9.752 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.440 -1.784 6.145 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.620 -0.966 6.368 1.00 0.00 C ATOM 1695 C GLU A 112 -7.619 -1.153 5.224 1.00 0.00 C ATOM 1696 O GLU A 112 -8.806 -0.867 5.378 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.243 0.507 6.531 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.793 0.803 7.963 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.699 1.848 8.618 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.904 1.843 8.284 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -6.167 2.627 9.437 1.00 0.00 O ATOM 0 H GLU A 112 -4.623 -1.272 5.813 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.093 -1.290 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.443 0.760 5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.097 1.135 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.808 -0.115 8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.764 1.161 7.958 1.00 0.00 H new ATOM 1708 N SER A 113 -7.103 -1.632 4.102 1.00 0.00 N ATOM 1709 CA SER A 113 -7.935 -1.860 2.932 1.00 0.00 C ATOM 1710 C SER A 113 -8.165 -3.360 2.739 1.00 0.00 C ATOM 1711 O SER A 113 -8.590 -3.793 1.669 1.00 0.00 O ATOM 1712 CB SER A 113 -7.301 -1.254 1.679 1.00 0.00 C ATOM 1713 OG SER A 113 -6.552 -2.216 0.940 1.00 0.00 O ATOM 0 H SER A 113 -6.119 -1.869 3.978 1.00 0.00 H new ATOM 0 HA SER A 113 -8.895 -1.369 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.082 -0.837 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.649 -0.429 1.966 1.00 0.00 H new ATOM 0 HG SER A 113 -7.150 -2.927 0.628 1.00 0.00 H new ATOM 1719 N LYS A 114 -7.873 -4.111 3.790 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.043 -5.554 3.749 1.00 0.00 C ATOM 1721 C LYS A 114 -9.534 -5.885 3.652 1.00 0.00 C ATOM 1722 O LYS A 114 -9.950 -6.641 2.775 1.00 0.00 O ATOM 1723 CB LYS A 114 -7.344 -6.210 4.942 1.00 0.00 C ATOM 1724 CG LYS A 114 -5.973 -6.757 4.540 1.00 0.00 C ATOM 1725 CD LYS A 114 -5.319 -7.505 5.704 1.00 0.00 C ATOM 1726 CE LYS A 114 -5.888 -8.919 5.836 1.00 0.00 C ATOM 1727 NZ LYS A 114 -5.799 -9.385 7.237 1.00 0.00 N ATOM 0 H LYS A 114 -7.520 -3.748 4.675 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.565 -5.969 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.228 -5.483 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.963 -7.019 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.081 -7.427 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.329 -5.937 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.241 -7.556 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.482 -6.956 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.927 -8.931 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.340 -9.600 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.190 -10.346 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.803 -9.392 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.341 -8.744 7.851 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.318 -5.288 4.589 1.00 0.00 N ATOM 1742 CA PRO A 115 -11.753 -5.511 4.617 1.00 0.00 C ATOM 1743 C PRO A 115 -12.450 -4.741 3.494 1.00 0.00 C ATOM 1744 O PRO A 115 -13.485 -5.174 2.990 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.193 -5.068 6.003 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.076 -4.184 6.532 1.00 0.00 C ATOM 1747 CD PRO A 115 -9.860 -4.387 5.643 1.00 0.00 C ATOM 0 HA PRO A 115 -12.020 -6.553 4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.135 -4.522 5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.353 -5.927 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.382 -3.138 6.527 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.841 -4.442 7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.509 -3.441 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.029 -4.820 6.201 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.855 -3.614 3.134 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.405 -2.780 2.080 1.00 0.00 C ATOM 1757 C GLU A 116 -12.945 -3.649 0.942 1.00 0.00 C ATOM 1758 O GLU A 116 -12.364 -4.683 0.617 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.361 -1.788 1.563 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.568 -0.403 2.179 1.00 0.00 C ATOM 1761 CD GLU A 116 -12.173 0.565 1.160 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.859 0.397 -0.039 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -12.936 1.451 1.602 1.00 0.00 O ATOM 0 H GLU A 116 -10.996 -3.259 3.554 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.232 -2.204 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.361 -2.150 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.425 -1.720 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.224 -0.481 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.614 -0.013 2.535 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.080 -3.187 0.354 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.705 -3.911 -0.740 1.00 0.00 C ATOM 1772 C PRO A 117 -13.917 -3.729 -2.039 1.00 0.00 C ATOM 1773 O PRO A 117 -13.970 -4.580 -2.925 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.119 -3.358 -0.821 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.089 -2.029 -0.084 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.797 -1.966 0.713 1.00 0.00 C ATOM 0 HA PRO A 117 -14.722 -4.988 -0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.427 -3.223 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.833 -4.043 -0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.143 -1.200 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.950 -1.940 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.218 -1.078 0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.994 -1.923 1.784 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.204 -2.615 -2.110 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.406 -2.311 -3.285 1.00 0.00 C ATOM 1786 C GLN A 118 -11.073 -1.682 -2.874 1.00 0.00 C ATOM 1787 O GLN A 118 -10.900 -1.282 -1.723 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.170 -1.397 -4.246 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.331 0.005 -3.657 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.577 0.695 -4.217 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -15.516 1.011 -3.505 1.00 0.00 O ATOM 1792 NE2 GLN A 118 -14.532 0.911 -5.528 1.00 0.00 N ATOM 0 H GLN A 118 -13.162 -1.912 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.199 -3.244 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.639 -1.337 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.152 -1.822 -4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.403 -0.059 -2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.448 0.602 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -13.715 0.621 -6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.315 1.367 -5.997 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.165 -1.614 -3.836 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.853 -1.040 -3.588 1.00 0.00 C ATOM 1803 C VAL A 119 -8.387 -0.288 -4.836 1.00 0.00 C ATOM 1804 O VAL A 119 -8.096 -0.900 -5.862 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.878 -2.134 -3.150 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.569 -1.529 -2.639 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.511 -3.043 -2.095 1.00 0.00 C ATOM 0 H VAL A 119 -10.312 -1.947 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.899 -0.319 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.646 -2.745 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.893 -2.328 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.104 -0.944 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.775 -0.883 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.796 -3.812 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.786 -2.451 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.402 -3.515 -2.509 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.329 1.030 -4.707 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.903 1.872 -5.811 1.00 0.00 C ATOM 1819 C GLU A 120 -6.414 2.201 -5.684 1.00 0.00 C ATOM 1820 O GLU A 120 -6.018 2.978 -4.816 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.742 3.150 -5.882 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.328 4.012 -7.077 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.517 5.499 -6.771 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -7.638 6.052 -6.076 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -9.537 6.049 -7.240 1.00 0.00 O ATOM 0 H GLU A 120 -8.570 1.535 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.056 1.323 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.798 2.892 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.623 3.719 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.285 3.818 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.920 3.738 -7.950 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.629 1.593 -6.561 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.193 1.811 -6.558 1.00 0.00 C ATOM 1834 C LEU A 121 -3.856 2.979 -7.487 1.00 0.00 C ATOM 1835 O LEU A 121 -4.674 3.370 -8.319 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.454 0.516 -6.905 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.668 -0.656 -5.945 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -2.431 -1.556 -5.894 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -4.073 -0.160 -4.556 1.00 0.00 C ATOM 0 H LEU A 121 -5.961 0.949 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.852 2.089 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.760 0.203 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.387 0.731 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.492 -1.261 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.610 -2.381 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.228 -1.952 -6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.573 -0.977 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.219 -1.013 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.288 0.481 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.002 0.406 -4.628 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.652 3.503 -7.315 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.197 4.618 -8.127 1.00 0.00 C ATOM 1853 C VAL A 122 -0.684 4.516 -8.325 1.00 0.00 C ATOM 1854 O VAL A 122 0.086 4.815 -7.413 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.629 5.940 -7.490 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.355 7.117 -8.429 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.103 5.896 -7.082 1.00 0.00 C ATOM 0 H VAL A 122 -1.977 3.176 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.657 4.583 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.036 6.086 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.671 8.044 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.288 7.167 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.910 6.979 -9.357 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.384 6.848 -6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.719 5.715 -7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.257 5.094 -6.360 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.302 4.094 -9.521 1.00 0.00 N ATOM 1868 CA VAL A 123 1.106 3.948 -9.850 1.00 0.00 C ATOM 1869 C VAL A 123 1.521 5.071 -10.803 1.00 0.00 C ATOM 1870 O VAL A 123 0.673 5.691 -11.444 1.00 0.00 O ATOM 1871 CB VAL A 123 1.369 2.553 -10.419 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.196 2.082 -11.280 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.678 2.522 -11.211 1.00 0.00 C ATOM 0 H VAL A 123 -0.943 3.848 -10.275 1.00 0.00 H new ATOM 0 HA VAL A 123 1.719 4.039 -8.953 1.00 0.00 H new ATOM 0 HB VAL A 123 1.468 1.863 -9.581 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.409 1.088 -11.672 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.709 2.047 -10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.051 2.775 -12.108 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.841 1.519 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.620 3.231 -12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.506 2.794 -10.556 1.00 0.00 H new ATOM 1883 N SER A 124 2.824 5.298 -10.867 1.00 0.00 N ATOM 1884 CA SER A 124 3.362 6.335 -11.731 1.00 0.00 C ATOM 1885 C SER A 124 4.646 5.843 -12.402 1.00 0.00 C ATOM 1886 O SER A 124 5.549 5.344 -11.732 1.00 0.00 O ATOM 1887 CB SER A 124 3.631 7.621 -10.947 1.00 0.00 C ATOM 1888 OG SER A 124 4.033 8.691 -11.798 1.00 0.00 O ATOM 0 H SER A 124 3.524 4.781 -10.334 1.00 0.00 H new ATOM 0 HA SER A 124 2.621 6.559 -12.499 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.731 7.909 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.407 7.437 -10.204 1.00 0.00 H new ATOM 0 HG SER A 124 4.193 9.494 -11.260 1.00 0.00 H new ATOM 1894 N ARG A 125 4.687 6.002 -13.717 1.00 0.00 N ATOM 1895 CA ARG A 125 5.846 5.580 -14.486 1.00 0.00 C ATOM 1896 C ARG A 125 6.264 6.681 -15.463 1.00 0.00 C ATOM 1897 O ARG A 125 5.448 7.518 -15.847 1.00 0.00 O ATOM 1898 CB ARG A 125 5.552 4.298 -15.267 1.00 0.00 C ATOM 1899 CG ARG A 125 4.587 4.570 -16.423 1.00 0.00 C ATOM 1900 CD ARG A 125 3.269 3.818 -16.225 1.00 0.00 C ATOM 1901 NE ARG A 125 3.540 2.427 -15.797 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.777 1.414 -16.641 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.778 1.630 -17.964 1.00 0.00 N ATOM 1904 NH2 ARG A 125 4.013 0.185 -16.163 1.00 0.00 N ATOM 0 H ARG A 125 3.937 6.417 -14.269 1.00 0.00 H new ATOM 0 HA ARG A 125 6.657 5.386 -13.784 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.482 3.883 -15.655 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.124 3.551 -14.599 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.392 5.640 -16.495 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.046 4.266 -17.364 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.660 4.325 -15.477 1.00 0.00 H new ATOM 0 HD3 ARG A 125 2.698 3.817 -17.154 1.00 0.00 H new ATOM 0 HE ARG A 125 3.547 2.227 -14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.598 2.566 -18.328 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.958 0.859 -18.607 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.012 0.020 -15.156 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.193 -0.586 -16.806 1.00 0.00 H new ATOM 1918 N SER A 126 7.534 6.645 -15.837 1.00 0.00 N ATOM 1919 CA SER A 126 8.070 7.629 -16.762 1.00 0.00 C ATOM 1920 C SER A 126 7.795 7.196 -18.204 1.00 0.00 C ATOM 1921 O SER A 126 8.211 6.116 -18.622 1.00 0.00 O ATOM 1922 CB SER A 126 9.572 7.828 -16.545 1.00 0.00 C ATOM 1923 OG SER A 126 10.344 6.833 -17.210 1.00 0.00 O ATOM 0 H SER A 126 8.208 5.950 -15.516 1.00 0.00 H new ATOM 0 HA SER A 126 7.574 8.581 -16.574 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.863 8.814 -16.907 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.790 7.803 -15.477 1.00 0.00 H new ATOM 0 HG SER A 126 9.747 6.152 -17.585 1.00 0.00 H new ATOM 1929 N GLY A 127 7.097 8.061 -18.925 1.00 0.00 N ATOM 1930 CA GLY A 127 6.762 7.781 -20.311 1.00 0.00 C ATOM 1931 C GLY A 127 8.023 7.684 -21.171 1.00 0.00 C ATOM 1932 O GLY A 127 9.134 7.621 -20.646 1.00 0.00 O ATOM 0 H GLY A 127 6.754 8.956 -18.576 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.203 6.847 -20.372 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.113 8.567 -20.698 1.00 0.00 H new ATOM 1936 N PRO A 128 7.804 7.675 -22.513 1.00 0.00 N ATOM 1937 CA PRO A 128 8.910 7.586 -23.451 1.00 0.00 C ATOM 1938 C PRO A 128 9.655 8.919 -23.547 1.00 0.00 C ATOM 1939 O PRO A 128 9.254 9.905 -22.931 1.00 0.00 O ATOM 1940 CB PRO A 128 8.277 7.164 -24.767 1.00 0.00 C ATOM 1941 CG PRO A 128 6.796 7.481 -24.638 1.00 0.00 C ATOM 1942 CD PRO A 128 6.502 7.748 -23.171 1.00 0.00 C ATOM 0 HA PRO A 128 9.668 6.867 -23.140 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.720 7.703 -25.604 1.00 0.00 H new ATOM 0 HB3 PRO A 128 8.434 6.102 -24.953 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.538 8.350 -25.243 1.00 0.00 H new ATOM 0 HG3 PRO A 128 6.194 6.648 -25.002 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.042 8.726 -23.031 1.00 0.00 H new ATOM 0 HD3 PRO A 128 5.811 7.009 -22.765 1.00 0.00 H new ATOM 1950 N SER A 129 10.727 8.906 -24.326 1.00 0.00 N ATOM 1951 CA SER A 129 11.532 10.102 -24.511 1.00 0.00 C ATOM 1952 C SER A 129 12.184 10.504 -23.186 1.00 0.00 C ATOM 1953 O SER A 129 11.717 11.422 -22.514 1.00 0.00 O ATOM 1954 CB SER A 129 10.689 11.254 -25.059 1.00 0.00 C ATOM 1955 OG SER A 129 11.021 11.563 -26.410 1.00 0.00 O ATOM 0 H SER A 129 11.057 8.087 -24.836 1.00 0.00 H new ATOM 0 HA SER A 129 12.312 9.880 -25.240 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.633 10.992 -24.996 1.00 0.00 H new ATOM 0 HB3 SER A 129 10.836 12.138 -24.438 1.00 0.00 H new ATOM 0 HG SER A 129 10.460 12.303 -26.724 1.00 0.00 H new ATOM 1961 N SER A 130 13.252 9.796 -22.850 1.00 0.00 N ATOM 1962 CA SER A 130 13.973 10.068 -21.617 1.00 0.00 C ATOM 1963 C SER A 130 14.675 11.424 -21.710 1.00 0.00 C ATOM 1964 O SER A 130 14.792 11.993 -22.794 1.00 0.00 O ATOM 1965 CB SER A 130 14.988 8.963 -21.318 1.00 0.00 C ATOM 1966 OG SER A 130 14.403 7.666 -21.389 1.00 0.00 O ATOM 0 H SER A 130 13.636 9.034 -23.410 1.00 0.00 H new ATOM 0 HA SER A 130 13.254 10.094 -20.798 1.00 0.00 H new ATOM 0 HB2 SER A 130 15.813 9.028 -22.027 1.00 0.00 H new ATOM 0 HB3 SER A 130 15.409 9.117 -20.324 1.00 0.00 H new ATOM 0 HG SER A 130 15.084 6.989 -21.194 1.00 0.00 H new ATOM 1972 N GLY A 131 15.124 11.901 -20.559 1.00 0.00 N ATOM 1973 CA GLY A 131 15.812 13.180 -20.496 1.00 0.00 C ATOM 1974 C GLY A 131 14.821 14.341 -20.589 1.00 0.00 C ATOM 1975 O GLY A 131 13.613 14.142 -20.468 1.00 0.00 O ATOM 0 H GLY A 131 15.025 11.425 -19.662 1.00 0.00 H new ATOM 0 HA2 GLY A 131 16.373 13.250 -19.564 1.00 0.00 H new ATOM 0 HA3 GLY A 131 16.535 13.248 -21.309 1.00 0.00 H new TER 1979 GLY A 131