USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 961 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 107 SER OG : rot -120:sc= 0 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=0) USER MOD Set 2.1: A 85 GLN : amide:sc= 1.74 K(o=3.6,f=-10!) USER MOD Set 2.2: A 125 SER OG : rot 86:sc= 1.85 USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 113 CYS SG : rot 81:sc= 0.128 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.00954 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.17) USER MOD Single : A 6 GLN : amide:sc= 0.744 K(o=0.74,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.12) USER MOD Single : A 23 HIS : no HE2:sc= 0.337 K(o=0.34,f=-1.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.288 USER MOD Single : A 35 HIS : no HE2:sc=-0.00797 K(o=-0.008,f=-0.7) USER MOD Single : A 40 SER OG : rot 180:sc= 0.137 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 79:sc= 1.16 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 52 SER OG : rot -103:sc= 1.22 USER MOD Single : A 55 SER OG : rot -89:sc= 1.29 USER MOD Single : A 56 ASN : amide:sc= 0.114 K(o=0.11,f=-2.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 168:sc= 0.655 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.946 K(o=0.95,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= 0.888 K(o=0.89,f=-3.3) USER MOD Single : A 79 SER OG : rot 180:sc= 0.469 USER MOD Single : A 82 HIS : no HE2:sc= 0.565 K(o=0.57,f=-1.9!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 89:sc= 1.24 USER MOD Single : A 95 SER OG : rot 76:sc= 0.0434 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 166:sc= -0.0281 (180deg=-0.296) USER MOD Single : A 102 GLN : amide:sc= -0.242 K(o=-0.24,f=-5!) USER MOD Single : A 103 LYS NZ :NH3+ -125:sc= 0.155 (180deg=0) USER MOD Single : A 104 MET CE :methyl -177:sc= -0.161 (180deg=-0.203) USER MOD Single : A 105 LYS NZ :NH3+ -168:sc= 0.694 (180deg=0.6) USER MOD Single : A 106 TYR OH : rot -95:sc= 0.42 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0038 USER MOD Single : A 112 ASN : amide:sc= 0.774 K(o=0.77,f=-0.021) USER MOD Single : A 118 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 119 GLN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.274 1.622 -2.202 1.00 0.00 N ATOM 2 CA MET A 1 18.460 0.398 -1.947 1.00 0.00 C ATOM 3 C MET A 1 16.989 0.629 -2.340 1.00 0.00 C ATOM 4 O MET A 1 16.445 1.703 -2.077 1.00 0.00 O ATOM 5 CB MET A 1 18.590 -0.058 -0.475 1.00 0.00 C ATOM 6 CG MET A 1 17.948 -1.427 -0.197 1.00 0.00 C ATOM 7 SD MET A 1 18.180 -2.019 1.502 1.00 0.00 S ATOM 8 CE MET A 1 17.259 -3.578 1.407 1.00 0.00 C ATOM 0 H1 MET A 1 19.904 1.795 -1.393 1.00 0.00 H new ATOM 0 H2 MET A 1 19.843 1.487 -3.062 1.00 0.00 H new ATOM 0 H3 MET A 1 18.643 2.439 -2.329 1.00 0.00 H new ATOM 0 HA MET A 1 18.847 -0.406 -2.573 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.646 -0.100 -0.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.128 0.689 0.170 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.880 -1.365 -0.407 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.367 -2.160 -0.887 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.296 -4.082 2.373 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.221 -3.372 1.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.706 -4.219 0.647 1.00 0.00 H new ATOM 20 N ALA A 2 16.344 -0.364 -2.969 1.00 0.00 N ATOM 21 CA ALA A 2 14.931 -0.300 -3.373 1.00 0.00 C ATOM 22 C ALA A 2 13.953 -0.413 -2.182 1.00 0.00 C ATOM 23 O ALA A 2 14.312 -0.872 -1.095 1.00 0.00 O ATOM 24 CB ALA A 2 14.681 -1.401 -4.417 1.00 0.00 C ATOM 0 H ALA A 2 16.794 -1.246 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 2 14.736 0.682 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.638 -1.373 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.326 -1.237 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.902 -2.374 -3.979 1.00 0.00 H new ATOM 30 N SER A 3 12.699 -0.010 -2.388 1.00 0.00 N ATOM 31 CA SER A 3 11.618 -0.139 -1.395 1.00 0.00 C ATOM 32 C SER A 3 11.114 -1.597 -1.243 1.00 0.00 C ATOM 33 O SER A 3 11.194 -2.385 -2.200 1.00 0.00 O ATOM 34 CB SER A 3 10.458 0.808 -1.763 1.00 0.00 C ATOM 35 OG SER A 3 10.023 0.641 -3.107 1.00 0.00 O ATOM 0 H SER A 3 12.395 0.422 -3.260 1.00 0.00 H new ATOM 0 HA SER A 3 12.027 0.145 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.620 0.630 -1.089 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.774 1.840 -1.613 1.00 0.00 H new ATOM 0 HG SER A 3 9.287 1.261 -3.292 1.00 0.00 H new ATOM 41 N PRO A 4 10.592 -1.984 -0.056 1.00 0.00 N ATOM 42 CA PRO A 4 10.095 -3.332 0.211 1.00 0.00 C ATOM 43 C PRO A 4 8.702 -3.566 -0.393 1.00 0.00 C ATOM 44 O PRO A 4 7.953 -2.626 -0.663 1.00 0.00 O ATOM 45 CB PRO A 4 10.074 -3.459 1.738 1.00 0.00 C ATOM 46 CG PRO A 4 9.756 -2.034 2.186 1.00 0.00 C ATOM 47 CD PRO A 4 10.517 -1.185 1.165 1.00 0.00 C ATOM 0 HA PRO A 4 10.732 -4.086 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.318 -4.168 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.031 -3.803 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.685 -1.832 2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.095 -1.844 3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.002 -0.242 0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.514 -0.938 1.530 1.00 0.00 H new ATOM 55 N HIS A 5 8.333 -4.839 -0.561 1.00 0.00 N ATOM 56 CA HIS A 5 7.021 -5.264 -1.081 1.00 0.00 C ATOM 57 C HIS A 5 5.892 -5.251 -0.015 1.00 0.00 C ATOM 58 O HIS A 5 4.757 -5.646 -0.292 1.00 0.00 O ATOM 59 CB HIS A 5 7.179 -6.652 -1.729 1.00 0.00 C ATOM 60 CG HIS A 5 7.499 -7.761 -0.754 1.00 0.00 C ATOM 61 ND1 HIS A 5 6.592 -8.451 0.021 1.00 0.00 N ATOM 62 CD2 HIS A 5 8.738 -8.282 -0.482 1.00 0.00 C ATOM 63 CE1 HIS A 5 7.270 -9.360 0.742 1.00 0.00 C ATOM 64 NE2 HIS A 5 8.588 -9.298 0.472 1.00 0.00 N ATOM 0 H HIS A 5 8.947 -5.622 -0.336 1.00 0.00 H new ATOM 0 HA HIS A 5 6.701 -4.536 -1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.257 -6.901 -2.255 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.970 -6.603 -2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.670 -7.964 -0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.819 -10.047 1.443 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.326 -9.873 0.879 1.00 0.00 H new ATOM 72 N GLN A 6 6.199 -4.816 1.213 1.00 0.00 N ATOM 73 CA GLN A 6 5.323 -4.827 2.387 1.00 0.00 C ATOM 74 C GLN A 6 5.747 -3.688 3.334 1.00 0.00 C ATOM 75 O GLN A 6 6.932 -3.561 3.650 1.00 0.00 O ATOM 76 CB GLN A 6 5.447 -6.209 3.060 1.00 0.00 C ATOM 77 CG GLN A 6 4.627 -6.383 4.352 1.00 0.00 C ATOM 78 CD GLN A 6 4.916 -7.742 4.996 1.00 0.00 C ATOM 79 OE1 GLN A 6 5.999 -7.996 5.510 1.00 0.00 O ATOM 80 NE2 GLN A 6 3.988 -8.676 4.974 1.00 0.00 N ATOM 0 H GLN A 6 7.117 -4.425 1.424 1.00 0.00 H new ATOM 0 HA GLN A 6 4.280 -4.664 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.137 -6.972 2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.497 -6.392 3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.869 -5.584 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.564 -6.300 4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.080 -8.483 4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.177 -9.592 5.380 1.00 0.00 H new ATOM 89 N GLU A 7 4.794 -2.869 3.802 1.00 0.00 N ATOM 90 CA GLU A 7 5.063 -1.723 4.683 1.00 0.00 C ATOM 91 C GLU A 7 3.800 -1.327 5.482 1.00 0.00 C ATOM 92 O GLU A 7 2.898 -0.696 4.916 1.00 0.00 O ATOM 93 CB GLU A 7 5.585 -0.531 3.853 1.00 0.00 C ATOM 94 CG GLU A 7 6.072 0.626 4.736 1.00 0.00 C ATOM 95 CD GLU A 7 6.385 1.865 3.884 1.00 0.00 C ATOM 96 OE1 GLU A 7 5.445 2.645 3.592 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.565 2.068 3.510 1.00 0.00 O ATOM 0 H GLU A 7 3.806 -2.984 3.578 1.00 0.00 H new ATOM 0 HA GLU A 7 5.830 -2.012 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.402 -0.866 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.792 -0.174 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.310 0.871 5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.963 0.321 5.285 1.00 0.00 H new ATOM 104 N PRO A 8 3.715 -1.673 6.784 1.00 0.00 N ATOM 105 CA PRO A 8 2.682 -1.168 7.682 1.00 0.00 C ATOM 106 C PRO A 8 3.109 0.197 8.248 1.00 0.00 C ATOM 107 O PRO A 8 4.289 0.430 8.518 1.00 0.00 O ATOM 108 CB PRO A 8 2.563 -2.233 8.774 1.00 0.00 C ATOM 109 CG PRO A 8 3.998 -2.743 8.912 1.00 0.00 C ATOM 110 CD PRO A 8 4.561 -2.628 7.491 1.00 0.00 C ATOM 0 HA PRO A 8 1.723 -1.005 7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.192 -1.813 9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.877 -3.030 8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.570 -2.143 9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.025 -3.772 9.272 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.596 -2.288 7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.553 -3.597 6.991 1.00 0.00 H new ATOM 118 N LYS A 9 2.139 1.096 8.451 1.00 0.00 N ATOM 119 CA LYS A 9 2.346 2.449 8.996 1.00 0.00 C ATOM 120 C LYS A 9 1.034 3.072 9.539 1.00 0.00 C ATOM 121 O LYS A 9 -0.049 2.593 9.182 1.00 0.00 O ATOM 122 CB LYS A 9 3.133 3.356 8.020 1.00 0.00 C ATOM 123 CG LYS A 9 2.413 3.799 6.736 1.00 0.00 C ATOM 124 CD LYS A 9 2.238 2.661 5.718 1.00 0.00 C ATOM 125 CE LYS A 9 1.839 3.148 4.316 1.00 0.00 C ATOM 126 NZ LYS A 9 2.932 3.895 3.633 1.00 0.00 N ATOM 0 H LYS A 9 1.161 0.900 8.236 1.00 0.00 H new ATOM 0 HA LYS A 9 2.989 2.355 9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.438 4.251 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.044 2.832 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.433 4.199 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.976 4.609 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.170 2.101 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.478 1.971 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.554 2.291 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.961 3.789 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.731 3.949 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.993 4.856 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.835 3.402 3.782 1.00 0.00 H new ATOM 140 N PRO A 10 1.109 4.092 10.427 1.00 0.00 N ATOM 141 CA PRO A 10 -0.041 4.594 11.174 1.00 0.00 C ATOM 142 C PRO A 10 -1.210 5.074 10.312 1.00 0.00 C ATOM 143 O PRO A 10 -1.025 5.760 9.306 1.00 0.00 O ATOM 144 CB PRO A 10 0.490 5.675 12.121 1.00 0.00 C ATOM 145 CG PRO A 10 1.958 5.299 12.299 1.00 0.00 C ATOM 146 CD PRO A 10 2.323 4.728 10.931 1.00 0.00 C ATOM 0 HA PRO A 10 -0.491 3.772 11.730 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.379 6.672 11.695 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.043 5.674 13.072 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.570 6.164 12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.095 4.566 13.094 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.661 5.515 10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.137 4.007 11.013 1.00 0.00 H new ATOM 154 N GLY A 11 -2.422 4.700 10.746 1.00 0.00 N ATOM 155 CA GLY A 11 -3.708 5.075 10.156 1.00 0.00 C ATOM 156 C GLY A 11 -4.310 4.046 9.203 1.00 0.00 C ATOM 157 O GLY A 11 -5.484 4.172 8.866 1.00 0.00 O ATOM 0 H GLY A 11 -2.534 4.096 11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.419 5.260 10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.583 6.015 9.619 1.00 0.00 H new ATOM 161 N ASP A 12 -3.538 3.054 8.751 1.00 0.00 N ATOM 162 CA ASP A 12 -3.928 2.134 7.677 1.00 0.00 C ATOM 163 C ASP A 12 -4.515 0.790 8.155 1.00 0.00 C ATOM 164 O ASP A 12 -4.245 0.319 9.264 1.00 0.00 O ATOM 165 CB ASP A 12 -2.737 1.914 6.739 1.00 0.00 C ATOM 166 CG ASP A 12 -2.437 3.153 5.873 1.00 0.00 C ATOM 167 OD1 ASP A 12 -3.396 3.749 5.322 1.00 0.00 O ATOM 168 OD2 ASP A 12 -1.243 3.497 5.715 1.00 0.00 O ATOM 0 H ASP A 12 -2.609 2.864 9.127 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.749 2.614 7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.855 1.663 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.940 1.061 6.091 1.00 0.00 H new ATOM 173 N LEU A 13 -5.335 0.189 7.277 1.00 0.00 N ATOM 174 CA LEU A 13 -6.067 -1.061 7.506 1.00 0.00 C ATOM 175 C LEU A 13 -5.295 -2.265 6.980 1.00 0.00 C ATOM 176 O LEU A 13 -5.156 -2.434 5.774 1.00 0.00 O ATOM 177 CB LEU A 13 -7.429 -0.994 6.792 1.00 0.00 C ATOM 178 CG LEU A 13 -8.397 0.008 7.421 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.616 0.210 6.515 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.876 -0.516 8.785 1.00 0.00 C ATOM 0 H LEU A 13 -5.511 0.579 6.351 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.202 -1.179 8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.270 -0.727 5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.885 -1.984 6.802 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.877 0.957 7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.297 0.926 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.291 0.590 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.129 -0.742 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.566 0.202 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.384 -1.471 8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.019 -0.651 9.444 1.00 0.00 H new ATOM 192 N ILE A 14 -4.834 -3.128 7.877 1.00 0.00 N ATOM 193 CA ILE A 14 -4.026 -4.313 7.568 1.00 0.00 C ATOM 194 C ILE A 14 -4.909 -5.569 7.599 1.00 0.00 C ATOM 195 O ILE A 14 -5.580 -5.811 8.600 1.00 0.00 O ATOM 196 CB ILE A 14 -2.846 -4.440 8.571 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.038 -3.128 8.720 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.903 -5.571 8.114 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.035 -3.148 9.878 1.00 0.00 C ATOM 0 H ILE A 14 -5.016 -3.023 8.875 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.608 -4.208 6.567 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.277 -4.666 9.546 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.502 -2.935 7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.731 -2.300 8.866 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.075 -5.661 8.817 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.453 -6.511 8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.514 -5.342 7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.507 -2.195 9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.566 -3.309 10.816 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.317 -3.954 9.724 1.00 0.00 H new ATOM 211 N GLU A 15 -4.888 -6.369 6.532 1.00 0.00 N ATOM 212 CA GLU A 15 -5.485 -7.708 6.494 1.00 0.00 C ATOM 213 C GLU A 15 -4.390 -8.714 6.852 1.00 0.00 C ATOM 214 O GLU A 15 -3.401 -8.868 6.128 1.00 0.00 O ATOM 215 CB GLU A 15 -6.065 -8.046 5.112 1.00 0.00 C ATOM 216 CG GLU A 15 -7.296 -7.223 4.744 1.00 0.00 C ATOM 217 CD GLU A 15 -7.956 -7.784 3.472 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.513 -7.436 2.351 1.00 0.00 O ATOM 219 OE2 GLU A 15 -8.912 -8.589 3.588 1.00 0.00 O ATOM 0 H GLU A 15 -4.447 -6.101 5.652 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.312 -7.747 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.295 -7.889 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.326 -9.104 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.010 -7.236 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.012 -6.183 4.585 1.00 0.00 H new ATOM 226 N ILE A 16 -4.551 -9.406 7.971 1.00 0.00 N ATOM 227 CA ILE A 16 -3.586 -10.358 8.538 1.00 0.00 C ATOM 228 C ILE A 16 -4.123 -11.775 8.305 1.00 0.00 C ATOM 229 O ILE A 16 -5.182 -12.123 8.827 1.00 0.00 O ATOM 230 CB ILE A 16 -3.399 -10.045 10.044 1.00 0.00 C ATOM 231 CG1 ILE A 16 -2.820 -8.621 10.239 1.00 0.00 C ATOM 232 CG2 ILE A 16 -2.502 -11.109 10.707 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.817 -8.132 11.689 1.00 0.00 C ATOM 0 H ILE A 16 -5.394 -9.320 8.540 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.610 -10.276 8.060 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.374 -10.076 10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.798 -8.603 9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.397 -7.922 9.634 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.380 -10.875 11.765 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.965 -12.091 10.604 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.526 -11.115 10.222 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.395 -7.128 11.733 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.838 -8.114 12.069 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.215 -8.806 12.299 1.00 0.00 H new ATOM 245 N PHE A 17 -3.397 -12.598 7.538 1.00 0.00 N ATOM 246 CA PHE A 17 -3.847 -13.940 7.142 1.00 0.00 C ATOM 247 C PHE A 17 -3.903 -14.921 8.327 1.00 0.00 C ATOM 248 O PHE A 17 -4.743 -15.819 8.355 1.00 0.00 O ATOM 249 CB PHE A 17 -2.919 -14.459 6.033 1.00 0.00 C ATOM 250 CG PHE A 17 -3.330 -15.800 5.449 1.00 0.00 C ATOM 251 CD1 PHE A 17 -4.310 -15.858 4.441 1.00 0.00 C ATOM 252 CD2 PHE A 17 -2.737 -16.991 5.915 1.00 0.00 C ATOM 253 CE1 PHE A 17 -4.692 -17.098 3.899 1.00 0.00 C ATOM 254 CE2 PHE A 17 -3.119 -18.231 5.374 1.00 0.00 C ATOM 255 CZ PHE A 17 -4.094 -18.284 4.362 1.00 0.00 C ATOM 0 H PHE A 17 -2.477 -12.352 7.173 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.869 -13.867 6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.884 -13.722 5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.908 -14.544 6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.770 -14.949 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.986 -16.951 6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.445 -17.140 3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.664 -19.142 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.384 -19.235 3.940 1.00 0.00 H new ATOM 265 N ARG A 18 -2.993 -14.731 9.294 1.00 0.00 N ATOM 266 CA ARG A 18 -2.851 -15.415 10.591 1.00 0.00 C ATOM 267 C ARG A 18 -2.674 -16.945 10.512 1.00 0.00 C ATOM 268 O ARG A 18 -1.579 -17.436 10.785 1.00 0.00 O ATOM 269 CB ARG A 18 -3.961 -14.965 11.574 1.00 0.00 C ATOM 270 CG ARG A 18 -3.374 -14.465 12.907 1.00 0.00 C ATOM 271 CD ARG A 18 -2.649 -15.540 13.739 1.00 0.00 C ATOM 272 NE ARG A 18 -1.931 -14.939 14.878 1.00 0.00 N ATOM 273 CZ ARG A 18 -1.241 -15.588 15.811 1.00 0.00 C ATOM 274 NH1 ARG A 18 -1.166 -16.903 15.832 1.00 0.00 N ATOM 275 NH2 ARG A 18 -0.593 -14.919 16.740 1.00 0.00 N ATOM 0 H ARG A 18 -2.266 -14.025 9.177 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.894 -15.090 10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.552 -14.172 11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.638 -15.798 11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.675 -13.655 12.699 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.180 -14.044 13.507 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.372 -16.269 14.105 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.945 -16.080 13.106 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.967 -13.923 14.958 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.645 -17.453 15.119 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.628 -17.372 16.561 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.619 -13.899 16.746 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.065 -15.420 17.454 1.00 0.00 H new ATOM 289 N LEU A 19 -3.721 -17.698 10.156 1.00 0.00 N ATOM 290 CA LEU A 19 -3.766 -19.173 10.199 1.00 0.00 C ATOM 291 C LEU A 19 -4.812 -19.792 9.241 1.00 0.00 C ATOM 292 O LEU A 19 -5.326 -20.884 9.490 1.00 0.00 O ATOM 293 CB LEU A 19 -3.867 -19.644 11.675 1.00 0.00 C ATOM 294 CG LEU A 19 -4.951 -19.000 12.571 1.00 0.00 C ATOM 295 CD1 LEU A 19 -6.378 -19.130 12.027 1.00 0.00 C ATOM 296 CD2 LEU A 19 -4.878 -19.625 13.971 1.00 0.00 C ATOM 0 H LEU A 19 -4.592 -17.288 9.818 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.829 -19.563 9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.034 -20.721 11.671 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.899 -19.473 12.147 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.736 -17.932 12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.075 -18.652 12.716 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.441 -18.646 11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.634 -20.185 11.925 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.639 -19.177 14.610 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.051 -20.699 13.900 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.892 -19.444 14.399 1.00 0.00 H new ATOM 308 N GLY A 20 -5.148 -19.084 8.155 1.00 0.00 N ATOM 309 CA GLY A 20 -6.227 -19.417 7.216 1.00 0.00 C ATOM 310 C GLY A 20 -7.395 -18.456 7.406 1.00 0.00 C ATOM 311 O GLY A 20 -7.754 -17.720 6.488 1.00 0.00 O ATOM 0 H GLY A 20 -4.656 -18.229 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.860 -19.359 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.558 -20.443 7.378 1.00 0.00 H new ATOM 315 N TYR A 21 -7.960 -18.429 8.617 1.00 0.00 N ATOM 316 CA TYR A 21 -8.929 -17.408 9.022 1.00 0.00 C ATOM 317 C TYR A 21 -8.209 -16.061 9.252 1.00 0.00 C ATOM 318 O TYR A 21 -7.283 -15.976 10.065 1.00 0.00 O ATOM 319 CB TYR A 21 -9.691 -17.860 10.276 1.00 0.00 C ATOM 320 CG TYR A 21 -10.615 -16.783 10.810 1.00 0.00 C ATOM 321 CD1 TYR A 21 -11.862 -16.556 10.194 1.00 0.00 C ATOM 322 CD2 TYR A 21 -10.191 -15.954 11.867 1.00 0.00 C ATOM 323 CE1 TYR A 21 -12.680 -15.491 10.620 1.00 0.00 C ATOM 324 CE2 TYR A 21 -11.001 -14.889 12.293 1.00 0.00 C ATOM 325 CZ TYR A 21 -12.242 -14.647 11.665 1.00 0.00 C ATOM 326 OH TYR A 21 -13.005 -13.595 12.067 1.00 0.00 O ATOM 0 H TYR A 21 -7.758 -19.115 9.344 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.659 -17.270 8.225 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.273 -18.751 10.043 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.977 -18.139 11.051 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -12.192 -17.201 9.393 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.243 -16.138 12.350 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.637 -15.321 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.674 -14.254 13.103 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.552 -13.122 12.796 1.00 0.00 H new ATOM 336 N GLU A 22 -8.627 -15.022 8.524 1.00 0.00 N ATOM 337 CA GLU A 22 -7.949 -13.721 8.494 1.00 0.00 C ATOM 338 C GLU A 22 -8.556 -12.731 9.507 1.00 0.00 C ATOM 339 O GLU A 22 -9.757 -12.762 9.780 1.00 0.00 O ATOM 340 CB GLU A 22 -8.010 -13.110 7.080 1.00 0.00 C ATOM 341 CG GLU A 22 -7.629 -14.090 5.959 1.00 0.00 C ATOM 342 CD GLU A 22 -7.310 -13.345 4.657 1.00 0.00 C ATOM 343 OE1 GLU A 22 -6.223 -12.730 4.569 1.00 0.00 O ATOM 344 OE2 GLU A 22 -8.135 -13.367 3.713 1.00 0.00 O ATOM 0 H GLU A 22 -9.456 -15.060 7.931 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.910 -13.898 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.019 -12.740 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.343 -12.249 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.765 -14.679 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.448 -14.789 5.790 1.00 0.00 H new ATOM 351 N HIS A 23 -7.743 -11.806 10.022 1.00 0.00 N ATOM 352 CA HIS A 23 -8.173 -10.710 10.901 1.00 0.00 C ATOM 353 C HIS A 23 -7.826 -9.330 10.307 1.00 0.00 C ATOM 354 O HIS A 23 -6.795 -9.170 9.651 1.00 0.00 O ATOM 355 CB HIS A 23 -7.472 -10.824 12.270 1.00 0.00 C ATOM 356 CG HIS A 23 -7.882 -11.994 13.130 1.00 0.00 C ATOM 357 ND1 HIS A 23 -8.678 -11.938 14.257 1.00 0.00 N ATOM 358 CD2 HIS A 23 -7.412 -13.277 13.032 1.00 0.00 C ATOM 359 CE1 HIS A 23 -8.673 -13.157 14.825 1.00 0.00 C ATOM 360 NE2 HIS A 23 -7.914 -14.013 14.115 1.00 0.00 N ATOM 0 H HIS A 23 -6.740 -11.796 9.836 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.255 -10.794 11.008 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.397 -10.882 12.101 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.658 -9.906 12.828 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.180 -11.118 14.598 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.766 -13.656 12.254 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.206 -13.415 15.728 1.00 0.00 H new ATOM 368 N TRP A 24 -8.646 -8.311 10.591 1.00 0.00 N ATOM 369 CA TRP A 24 -8.320 -6.910 10.296 1.00 0.00 C ATOM 370 C TRP A 24 -7.584 -6.265 11.482 1.00 0.00 C ATOM 371 O TRP A 24 -7.877 -6.570 12.643 1.00 0.00 O ATOM 372 CB TRP A 24 -9.592 -6.098 10.016 1.00 0.00 C ATOM 373 CG TRP A 24 -10.218 -6.216 8.664 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.421 -6.776 8.428 1.00 0.00 C ATOM 375 CD2 TRP A 24 -9.803 -5.628 7.388 1.00 0.00 C ATOM 376 NE1 TRP A 24 -11.758 -6.637 7.098 1.00 0.00 N ATOM 377 CE2 TRP A 24 -10.812 -5.906 6.415 1.00 0.00 C ATOM 378 CE3 TRP A 24 -8.711 -4.839 6.967 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -10.742 -5.436 5.095 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.633 -4.359 5.643 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.640 -4.656 4.709 1.00 0.00 C ATOM 0 H TRP A 24 -9.557 -8.435 11.033 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.681 -6.904 9.413 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.340 -6.384 10.756 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.361 -5.046 10.186 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.033 -7.263 9.173 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.600 -7.026 6.674 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.925 -4.600 7.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.523 -5.670 4.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.789 -3.756 5.343 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.567 -4.285 3.697 1.00 0.00 H new ATOM 392 N ALA A 25 -6.706 -5.299 11.198 1.00 0.00 N ATOM 393 CA ALA A 25 -6.074 -4.444 12.205 1.00 0.00 C ATOM 394 C ALA A 25 -5.864 -2.998 11.718 1.00 0.00 C ATOM 395 O ALA A 25 -5.597 -2.767 10.540 1.00 0.00 O ATOM 396 CB ALA A 25 -4.749 -5.097 12.632 1.00 0.00 C ATOM 0 H ALA A 25 -6.410 -5.086 10.245 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.743 -4.362 13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.262 -4.475 13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.948 -6.083 13.052 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.096 -5.197 11.765 1.00 0.00 H new ATOM 402 N LEU A 26 -5.957 -2.031 12.632 1.00 0.00 N ATOM 403 CA LEU A 26 -5.653 -0.610 12.424 1.00 0.00 C ATOM 404 C LEU A 26 -4.342 -0.292 13.148 1.00 0.00 C ATOM 405 O LEU A 26 -4.273 -0.407 14.369 1.00 0.00 O ATOM 406 CB LEU A 26 -6.829 0.219 12.996 1.00 0.00 C ATOM 407 CG LEU A 26 -6.992 1.677 12.513 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.721 2.534 12.596 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.551 1.720 11.087 1.00 0.00 C ATOM 0 H LEU A 26 -6.261 -2.225 13.586 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.535 -0.369 11.368 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.753 -0.313 12.770 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.728 0.236 14.081 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.699 2.122 13.214 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.936 3.540 12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.383 2.584 13.631 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.940 2.087 11.981 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.657 2.757 10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.869 1.202 10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.525 1.232 11.063 1.00 0.00 H new ATOM 421 N TYR A 27 -3.305 0.121 12.420 1.00 0.00 N ATOM 422 CA TYR A 27 -2.019 0.537 13.002 1.00 0.00 C ATOM 423 C TYR A 27 -2.158 1.919 13.674 1.00 0.00 C ATOM 424 O TYR A 27 -2.352 2.925 12.996 1.00 0.00 O ATOM 425 CB TYR A 27 -0.980 0.499 11.869 1.00 0.00 C ATOM 426 CG TYR A 27 0.471 0.222 12.232 1.00 0.00 C ATOM 427 CD1 TYR A 27 0.941 -1.105 12.319 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.392 1.280 12.331 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.321 -1.367 12.427 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.776 1.028 12.383 1.00 0.00 C ATOM 431 CZ TYR A 27 3.246 -0.304 12.399 1.00 0.00 C ATOM 432 OH TYR A 27 4.581 -0.570 12.392 1.00 0.00 O ATOM 0 H TYR A 27 -3.329 0.179 11.402 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.690 -0.133 13.796 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.295 -0.261 11.154 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.016 1.458 11.352 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.239 -1.925 12.303 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.033 2.298 12.368 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.670 -2.384 12.531 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.476 1.850 12.411 1.00 0.00 H new ATOM 0 HH TYR A 27 5.082 0.272 12.371 1.00 0.00 H new ATOM 442 N ILE A 28 -2.102 1.989 15.010 1.00 0.00 N ATOM 443 CA ILE A 28 -2.341 3.231 15.790 1.00 0.00 C ATOM 444 C ILE A 28 -1.070 3.940 16.277 1.00 0.00 C ATOM 445 O ILE A 28 -1.125 5.115 16.642 1.00 0.00 O ATOM 446 CB ILE A 28 -3.271 2.961 16.997 1.00 0.00 C ATOM 447 CG1 ILE A 28 -2.767 1.814 17.904 1.00 0.00 C ATOM 448 CG2 ILE A 28 -4.704 2.708 16.505 1.00 0.00 C ATOM 449 CD1 ILE A 28 -3.310 1.907 19.333 1.00 0.00 C ATOM 0 H ILE A 28 -1.888 1.181 15.595 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.820 3.908 15.083 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.264 3.853 17.623 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.060 0.858 17.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.677 1.831 17.932 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.354 2.519 17.359 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.063 3.583 15.963 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.714 1.842 15.843 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.923 1.077 19.924 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.995 2.849 19.781 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.399 1.861 19.312 1.00 0.00 H new ATOM 461 N GLY A 29 0.059 3.234 16.291 1.00 0.00 N ATOM 462 CA GLY A 29 1.391 3.744 16.626 1.00 0.00 C ATOM 463 C GLY A 29 2.449 2.915 15.913 1.00 0.00 C ATOM 464 O GLY A 29 2.113 1.930 15.263 1.00 0.00 O ATOM 0 H GLY A 29 0.072 2.241 16.058 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.475 4.790 16.332 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.547 3.702 17.704 1.00 0.00 H new ATOM 468 N ASP A 30 3.722 3.289 16.032 1.00 0.00 N ATOM 469 CA ASP A 30 4.824 2.603 15.344 1.00 0.00 C ATOM 470 C ASP A 30 5.064 1.191 15.934 1.00 0.00 C ATOM 471 O ASP A 30 5.877 0.996 16.841 1.00 0.00 O ATOM 472 CB ASP A 30 6.091 3.472 15.383 1.00 0.00 C ATOM 473 CG ASP A 30 5.935 4.762 14.561 1.00 0.00 C ATOM 474 OD1 ASP A 30 5.965 4.679 13.311 1.00 0.00 O ATOM 475 OD2 ASP A 30 5.786 5.849 15.168 1.00 0.00 O ATOM 0 H ASP A 30 4.023 4.076 16.607 1.00 0.00 H new ATOM 0 HA ASP A 30 4.550 2.459 14.299 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.323 3.728 16.417 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.935 2.899 15.000 1.00 0.00 H new ATOM 480 N GLY A 31 4.315 0.210 15.416 1.00 0.00 N ATOM 481 CA GLY A 31 4.302 -1.204 15.817 1.00 0.00 C ATOM 482 C GLY A 31 3.043 -1.633 16.575 1.00 0.00 C ATOM 483 O GLY A 31 2.803 -2.832 16.717 1.00 0.00 O ATOM 0 H GLY A 31 3.659 0.394 14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.404 -1.823 14.926 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.173 -1.400 16.442 1.00 0.00 H new ATOM 487 N TYR A 32 2.223 -0.687 17.043 1.00 0.00 N ATOM 488 CA TYR A 32 1.008 -0.942 17.829 1.00 0.00 C ATOM 489 C TYR A 32 -0.268 -0.927 16.972 1.00 0.00 C ATOM 490 O TYR A 32 -0.444 -0.064 16.112 1.00 0.00 O ATOM 491 CB TYR A 32 0.902 0.096 18.955 1.00 0.00 C ATOM 492 CG TYR A 32 1.967 -0.052 20.024 1.00 0.00 C ATOM 493 CD1 TYR A 32 1.805 -1.014 21.040 1.00 0.00 C ATOM 494 CD2 TYR A 32 3.118 0.760 20.007 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.782 -1.160 22.044 1.00 0.00 C ATOM 496 CE2 TYR A 32 4.101 0.619 21.003 1.00 0.00 C ATOM 497 CZ TYR A 32 3.936 -0.344 22.025 1.00 0.00 C ATOM 498 OH TYR A 32 4.889 -0.492 22.983 1.00 0.00 O ATOM 0 H TYR A 32 2.389 0.306 16.882 1.00 0.00 H new ATOM 0 HA TYR A 32 1.092 -1.945 18.248 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.969 1.095 18.524 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.080 0.015 19.420 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.927 -1.643 21.049 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.246 1.494 19.225 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.650 -1.893 22.826 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.981 1.245 20.987 1.00 0.00 H new ATOM 0 HH TYR A 32 5.616 0.145 22.823 1.00 0.00 H new ATOM 508 N VAL A 33 -1.188 -1.857 17.240 1.00 0.00 N ATOM 509 CA VAL A 33 -2.412 -2.082 16.453 1.00 0.00 C ATOM 510 C VAL A 33 -3.657 -2.272 17.318 1.00 0.00 C ATOM 511 O VAL A 33 -3.586 -2.764 18.442 1.00 0.00 O ATOM 512 CB VAL A 33 -2.296 -3.316 15.522 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.337 -3.067 14.355 1.00 0.00 C ATOM 514 CG2 VAL A 33 -1.871 -4.606 16.243 1.00 0.00 C ATOM 0 H VAL A 33 -1.103 -2.494 18.032 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.520 -1.173 15.861 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.309 -3.463 15.146 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.287 -3.958 13.729 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.697 -2.226 13.762 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.344 -2.839 14.742 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.813 -5.423 15.523 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.895 -4.460 16.706 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.604 -4.851 17.012 1.00 0.00 H new ATOM 524 N ILE A 34 -4.805 -1.904 16.752 1.00 0.00 N ATOM 525 CA ILE A 34 -6.156 -2.193 17.261 1.00 0.00 C ATOM 526 C ILE A 34 -6.730 -3.277 16.340 1.00 0.00 C ATOM 527 O ILE A 34 -6.689 -3.121 15.124 1.00 0.00 O ATOM 528 CB ILE A 34 -7.018 -0.911 17.243 1.00 0.00 C ATOM 529 CG1 ILE A 34 -6.471 0.173 18.201 1.00 0.00 C ATOM 530 CG2 ILE A 34 -8.497 -1.206 17.539 1.00 0.00 C ATOM 531 CD1 ILE A 34 -6.600 -0.110 19.701 1.00 0.00 C ATOM 0 H ILE A 34 -4.826 -1.370 15.883 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.140 -2.538 18.295 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.956 -0.516 16.229 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.417 0.329 17.973 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.985 1.109 17.985 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.065 -0.276 17.516 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.889 -1.890 16.786 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.587 -1.662 18.525 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.181 0.723 20.266 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.652 -0.231 19.959 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.059 -1.024 19.947 1.00 0.00 H new ATOM 543 N HIS A 35 -7.245 -4.378 16.874 1.00 0.00 N ATOM 544 CA HIS A 35 -7.689 -5.535 16.083 1.00 0.00 C ATOM 545 C HIS A 35 -8.938 -6.199 16.693 1.00 0.00 C ATOM 546 O HIS A 35 -9.234 -6.005 17.872 1.00 0.00 O ATOM 547 CB HIS A 35 -6.522 -6.535 15.949 1.00 0.00 C ATOM 548 CG HIS A 35 -6.134 -7.209 17.246 1.00 0.00 C ATOM 549 ND1 HIS A 35 -6.447 -8.496 17.626 1.00 0.00 N ATOM 550 CD2 HIS A 35 -5.434 -6.645 18.281 1.00 0.00 C ATOM 551 CE1 HIS A 35 -5.947 -8.699 18.857 1.00 0.00 C ATOM 552 NE2 HIS A 35 -5.324 -7.594 19.304 1.00 0.00 N ATOM 0 H HIS A 35 -7.370 -4.501 17.879 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.979 -5.192 15.090 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.795 -7.300 15.222 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.653 -6.012 15.550 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.967 -9.175 17.071 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.036 -5.641 18.303 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.034 -9.622 19.411 1.00 0.00 H new ATOM 560 N LEU A 36 -9.674 -6.980 15.893 1.00 0.00 N ATOM 561 CA LEU A 36 -10.954 -7.577 16.286 1.00 0.00 C ATOM 562 C LEU A 36 -10.792 -9.069 16.614 1.00 0.00 C ATOM 563 O LEU A 36 -10.340 -9.861 15.781 1.00 0.00 O ATOM 564 CB LEU A 36 -11.954 -7.282 15.144 1.00 0.00 C ATOM 565 CG LEU A 36 -13.442 -7.674 15.284 1.00 0.00 C ATOM 566 CD1 LEU A 36 -13.688 -9.166 15.044 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.053 -7.235 16.619 1.00 0.00 C ATOM 0 H LEU A 36 -9.392 -7.218 14.942 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.340 -7.143 17.208 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.920 -6.209 14.956 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.574 -7.774 14.249 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.953 -7.124 14.494 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.750 -9.382 15.156 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.368 -9.430 14.036 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.121 -9.750 15.769 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.099 -7.539 16.658 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.509 -7.703 17.440 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.986 -6.151 16.711 1.00 0.00 H new ATOM 579 N ALA A 37 -11.171 -9.444 17.835 1.00 0.00 N ATOM 580 CA ALA A 37 -11.316 -10.825 18.293 1.00 0.00 C ATOM 581 C ALA A 37 -12.771 -11.259 17.991 1.00 0.00 C ATOM 582 O ALA A 37 -13.696 -10.624 18.514 1.00 0.00 O ATOM 583 CB ALA A 37 -10.962 -10.871 19.788 1.00 0.00 C ATOM 0 H ALA A 37 -11.395 -8.765 18.563 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.647 -11.520 17.784 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.063 -11.893 20.154 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.935 -10.534 19.929 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.637 -10.219 20.342 1.00 0.00 H new ATOM 589 N PRO A 38 -13.001 -12.275 17.135 1.00 0.00 N ATOM 590 CA PRO A 38 -14.327 -12.604 16.607 1.00 0.00 C ATOM 591 C PRO A 38 -15.268 -13.279 17.624 1.00 0.00 C ATOM 592 O PRO A 38 -14.799 -13.821 18.629 1.00 0.00 O ATOM 593 CB PRO A 38 -14.058 -13.526 15.409 1.00 0.00 C ATOM 594 CG PRO A 38 -12.757 -14.226 15.791 1.00 0.00 C ATOM 595 CD PRO A 38 -11.991 -13.116 16.502 1.00 0.00 C ATOM 0 HA PRO A 38 -14.855 -11.689 16.337 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.869 -14.238 15.259 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.954 -12.962 14.482 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.931 -15.082 16.443 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.221 -14.595 14.916 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.305 -13.527 17.243 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.391 -12.542 15.796 1.00 0.00 H new ATOM 603 N PRO A 39 -16.591 -13.286 17.347 1.00 0.00 N ATOM 604 CA PRO A 39 -17.571 -14.060 18.100 1.00 0.00 C ATOM 605 C PRO A 39 -17.421 -15.556 17.764 1.00 0.00 C ATOM 606 O PRO A 39 -17.161 -15.918 16.616 1.00 0.00 O ATOM 607 CB PRO A 39 -18.930 -13.496 17.677 1.00 0.00 C ATOM 608 CG PRO A 39 -18.704 -13.053 16.228 1.00 0.00 C ATOM 609 CD PRO A 39 -17.232 -12.645 16.200 1.00 0.00 C ATOM 0 HA PRO A 39 -17.445 -13.983 19.180 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -19.715 -14.248 17.748 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -19.231 -12.660 18.309 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.909 -13.861 15.526 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.355 -12.222 15.957 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.762 -12.961 15.269 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.131 -11.561 16.257 1.00 0.00 H new ATOM 617 N SER A 40 -17.577 -16.437 18.760 1.00 0.00 N ATOM 618 CA SER A 40 -17.260 -17.876 18.646 1.00 0.00 C ATOM 619 C SER A 40 -17.803 -18.702 19.834 1.00 0.00 C ATOM 620 O SER A 40 -18.442 -18.160 20.742 1.00 0.00 O ATOM 621 CB SER A 40 -15.734 -18.062 18.489 1.00 0.00 C ATOM 622 OG SER A 40 -15.399 -19.365 18.027 1.00 0.00 O ATOM 0 H SER A 40 -17.930 -16.173 19.680 1.00 0.00 H new ATOM 0 HA SER A 40 -17.763 -18.257 17.757 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.349 -17.320 17.790 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.247 -17.881 19.447 1.00 0.00 H new ATOM 0 HG SER A 40 -14.426 -19.441 17.939 1.00 0.00 H new ATOM 628 N GLU A 41 -17.531 -20.011 19.851 1.00 0.00 N ATOM 629 CA GLU A 41 -17.991 -20.992 20.840 1.00 0.00 C ATOM 630 C GLU A 41 -17.223 -22.324 20.747 1.00 0.00 C ATOM 631 O GLU A 41 -16.628 -22.660 19.719 1.00 0.00 O ATOM 632 CB GLU A 41 -19.509 -21.243 20.749 1.00 0.00 C ATOM 633 CG GLU A 41 -20.033 -21.735 19.395 1.00 0.00 C ATOM 634 CD GLU A 41 -20.148 -20.614 18.350 1.00 0.00 C ATOM 635 OE1 GLU A 41 -20.989 -19.703 18.535 1.00 0.00 O ATOM 636 OE2 GLU A 41 -19.426 -20.656 17.324 1.00 0.00 O ATOM 0 H GLU A 41 -16.949 -20.440 19.132 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.779 -20.551 21.814 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.781 -21.976 21.509 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -20.025 -20.316 21.000 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.368 -22.511 19.015 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -21.011 -22.194 19.536 1.00 0.00 H new ATOM 643 N TYR A 42 -17.275 -23.115 21.825 1.00 0.00 N ATOM 644 CA TYR A 42 -16.776 -24.499 21.865 1.00 0.00 C ATOM 645 C TYR A 42 -17.641 -25.456 21.001 1.00 0.00 C ATOM 646 O TYR A 42 -18.836 -25.190 20.813 1.00 0.00 O ATOM 647 CB TYR A 42 -16.725 -24.960 23.334 1.00 0.00 C ATOM 648 CG TYR A 42 -15.868 -24.094 24.236 1.00 0.00 C ATOM 649 CD1 TYR A 42 -14.464 -24.121 24.113 1.00 0.00 C ATOM 650 CD2 TYR A 42 -16.469 -23.253 25.196 1.00 0.00 C ATOM 651 CE1 TYR A 42 -13.661 -23.313 24.940 1.00 0.00 C ATOM 652 CE2 TYR A 42 -15.672 -22.443 26.029 1.00 0.00 C ATOM 653 CZ TYR A 42 -14.265 -22.471 25.903 1.00 0.00 C ATOM 654 OH TYR A 42 -13.495 -21.686 26.707 1.00 0.00 O ATOM 0 H TYR A 42 -17.672 -22.807 22.712 1.00 0.00 H new ATOM 0 HA TYR A 42 -15.774 -24.528 21.436 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -17.740 -24.982 23.730 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -16.348 -25.982 23.368 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -14.002 -24.765 23.380 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -17.544 -23.230 25.293 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.586 -23.336 24.839 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -16.136 -21.801 26.763 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.071 -21.170 27.309 1.00 0.00 H new ATOM 664 N PRO A 43 -17.092 -26.597 20.522 1.00 0.00 N ATOM 665 CA PRO A 43 -17.796 -27.538 19.640 1.00 0.00 C ATOM 666 C PRO A 43 -18.980 -28.279 20.286 1.00 0.00 C ATOM 667 O PRO A 43 -19.724 -28.950 19.572 1.00 0.00 O ATOM 668 CB PRO A 43 -16.722 -28.513 19.133 1.00 0.00 C ATOM 669 CG PRO A 43 -15.671 -28.490 20.234 1.00 0.00 C ATOM 670 CD PRO A 43 -15.709 -27.033 20.694 1.00 0.00 C ATOM 0 HA PRO A 43 -18.274 -26.982 18.833 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.127 -29.514 18.986 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.308 -28.192 18.177 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.915 -29.178 21.043 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.686 -28.773 19.862 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.397 -26.943 21.735 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -15.029 -26.419 20.104 1.00 0.00 H new ATOM 678 N GLY A 44 -19.216 -28.135 21.600 1.00 0.00 N ATOM 679 CA GLY A 44 -20.414 -28.659 22.270 1.00 0.00 C ATOM 680 C GLY A 44 -21.716 -28.068 21.716 1.00 0.00 C ATOM 681 O GLY A 44 -22.699 -28.788 21.565 1.00 0.00 O ATOM 0 H GLY A 44 -18.577 -27.649 22.229 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -20.439 -29.743 22.163 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -20.350 -28.446 23.337 1.00 0.00 H new ATOM 685 N ALA A 45 -21.707 -26.793 21.305 1.00 0.00 N ATOM 686 CA ALA A 45 -22.840 -26.143 20.629 1.00 0.00 C ATOM 687 C ALA A 45 -23.134 -26.714 19.221 1.00 0.00 C ATOM 688 O ALA A 45 -24.232 -26.521 18.697 1.00 0.00 O ATOM 689 CB ALA A 45 -22.575 -24.633 20.589 1.00 0.00 C ATOM 0 H ALA A 45 -20.905 -26.176 21.433 1.00 0.00 H new ATOM 0 HA ALA A 45 -23.744 -26.352 21.201 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -23.405 -24.131 20.091 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -22.479 -24.253 21.606 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -21.653 -24.440 20.041 1.00 0.00 H new ATOM 695 N GLY A 46 -22.176 -27.441 18.629 1.00 0.00 N ATOM 696 CA GLY A 46 -22.323 -28.219 17.388 1.00 0.00 C ATOM 697 C GLY A 46 -22.486 -29.730 17.618 1.00 0.00 C ATOM 698 O GLY A 46 -22.383 -30.502 16.664 1.00 0.00 O ATOM 0 H GLY A 46 -21.235 -27.507 19.018 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -23.189 -27.849 16.839 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -21.450 -28.049 16.758 1.00 0.00 H new ATOM 702 N SER A 47 -22.712 -30.162 18.860 1.00 0.00 N ATOM 703 CA SER A 47 -22.794 -31.574 19.276 1.00 0.00 C ATOM 704 C SER A 47 -24.073 -31.860 20.094 1.00 0.00 C ATOM 705 O SER A 47 -24.860 -30.959 20.383 1.00 0.00 O ATOM 706 CB SER A 47 -21.547 -31.929 20.111 1.00 0.00 C ATOM 707 OG SER A 47 -20.333 -31.661 19.423 1.00 0.00 O ATOM 0 H SER A 47 -22.849 -29.517 19.638 1.00 0.00 H new ATOM 0 HA SER A 47 -22.835 -32.191 18.379 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.565 -31.363 21.042 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.583 -32.985 20.379 1.00 0.00 H new ATOM 0 HG SER A 47 -20.137 -30.702 19.467 1.00 0.00 H new ATOM 713 N SER A 48 -24.289 -33.108 20.531 1.00 0.00 N ATOM 714 CA SER A 48 -25.494 -33.528 21.279 1.00 0.00 C ATOM 715 C SER A 48 -25.723 -32.747 22.593 1.00 0.00 C ATOM 716 O SER A 48 -26.846 -32.672 23.092 1.00 0.00 O ATOM 717 CB SER A 48 -25.408 -35.031 21.586 1.00 0.00 C ATOM 718 OG SER A 48 -25.185 -35.793 20.402 1.00 0.00 O ATOM 0 H SER A 48 -23.627 -33.868 20.376 1.00 0.00 H new ATOM 0 HA SER A 48 -26.346 -33.305 20.637 1.00 0.00 H new ATOM 0 HB2 SER A 48 -24.600 -35.213 22.295 1.00 0.00 H new ATOM 0 HB3 SER A 48 -26.331 -35.360 22.063 1.00 0.00 H new ATOM 0 HG SER A 48 -25.133 -36.745 20.630 1.00 0.00 H new ATOM 724 N SER A 49 -24.679 -32.116 23.139 1.00 0.00 N ATOM 725 CA SER A 49 -24.717 -31.219 24.304 1.00 0.00 C ATOM 726 C SER A 49 -25.155 -29.773 23.974 1.00 0.00 C ATOM 727 O SER A 49 -25.147 -28.915 24.864 1.00 0.00 O ATOM 728 CB SER A 49 -23.338 -31.253 24.989 1.00 0.00 C ATOM 729 OG SER A 49 -22.283 -31.007 24.067 1.00 0.00 O ATOM 0 H SER A 49 -23.736 -32.220 22.764 1.00 0.00 H new ATOM 0 HA SER A 49 -25.488 -31.585 24.982 1.00 0.00 H new ATOM 0 HB2 SER A 49 -23.308 -30.507 25.783 1.00 0.00 H new ATOM 0 HB3 SER A 49 -23.190 -32.225 25.460 1.00 0.00 H new ATOM 0 HG SER A 49 -21.424 -31.035 24.538 1.00 0.00 H new ATOM 735 N VAL A 50 -25.553 -29.487 22.726 1.00 0.00 N ATOM 736 CA VAL A 50 -26.045 -28.179 22.243 1.00 0.00 C ATOM 737 C VAL A 50 -26.985 -27.460 23.225 1.00 0.00 C ATOM 738 O VAL A 50 -27.898 -28.062 23.791 1.00 0.00 O ATOM 739 CB VAL A 50 -26.676 -28.280 20.828 1.00 0.00 C ATOM 740 CG1 VAL A 50 -27.841 -29.285 20.741 1.00 0.00 C ATOM 741 CG2 VAL A 50 -27.148 -26.913 20.304 1.00 0.00 C ATOM 0 H VAL A 50 -25.542 -30.191 21.988 1.00 0.00 H new ATOM 0 HA VAL A 50 -25.156 -27.553 22.173 1.00 0.00 H new ATOM 0 HB VAL A 50 -25.869 -28.651 20.196 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -28.232 -29.302 19.724 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -27.484 -30.279 21.009 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -28.632 -28.986 21.429 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -27.582 -27.034 19.311 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -27.898 -26.503 20.981 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -26.299 -26.232 20.248 1.00 0.00 H new ATOM 751 N PHE A 51 -26.693 -26.163 23.411 1.00 0.00 N ATOM 752 CA PHE A 51 -27.351 -25.152 24.260 1.00 0.00 C ATOM 753 C PHE A 51 -26.701 -25.032 25.652 1.00 0.00 C ATOM 754 O PHE A 51 -26.784 -23.975 26.277 1.00 0.00 O ATOM 755 CB PHE A 51 -28.880 -25.344 24.338 1.00 0.00 C ATOM 756 CG PHE A 51 -29.636 -24.108 24.793 1.00 0.00 C ATOM 757 CD1 PHE A 51 -29.932 -23.085 23.871 1.00 0.00 C ATOM 758 CD2 PHE A 51 -30.038 -23.974 26.137 1.00 0.00 C ATOM 759 CE1 PHE A 51 -30.622 -21.934 24.289 1.00 0.00 C ATOM 760 CE2 PHE A 51 -30.726 -22.820 26.554 1.00 0.00 C ATOM 761 CZ PHE A 51 -31.018 -21.800 25.631 1.00 0.00 C ATOM 0 H PHE A 51 -25.903 -25.750 22.916 1.00 0.00 H new ATOM 0 HA PHE A 51 -27.190 -24.194 23.765 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -29.249 -25.642 23.357 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -29.098 -26.163 25.023 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -29.628 -23.185 22.840 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -29.818 -24.757 26.847 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -30.848 -21.152 23.579 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -31.031 -22.717 27.585 1.00 0.00 H new ATOM 0 HZ PHE A 51 -31.546 -20.915 25.953 1.00 0.00 H new ATOM 771 N SER A 52 -25.990 -26.067 26.126 1.00 0.00 N ATOM 772 CA SER A 52 -25.153 -25.958 27.344 1.00 0.00 C ATOM 773 C SER A 52 -23.988 -24.959 27.141 1.00 0.00 C ATOM 774 O SER A 52 -23.585 -24.260 28.074 1.00 0.00 O ATOM 775 CB SER A 52 -24.620 -27.337 27.772 1.00 0.00 C ATOM 776 OG SER A 52 -23.723 -27.896 26.821 1.00 0.00 O ATOM 0 H SER A 52 -25.974 -26.989 25.690 1.00 0.00 H new ATOM 0 HA SER A 52 -25.786 -25.574 28.144 1.00 0.00 H new ATOM 0 HB2 SER A 52 -24.114 -27.244 28.733 1.00 0.00 H new ATOM 0 HB3 SER A 52 -25.459 -28.017 27.918 1.00 0.00 H new ATOM 0 HG SER A 52 -24.184 -28.591 26.306 1.00 0.00 H new ATOM 782 N VAL A 53 -23.491 -24.868 25.900 1.00 0.00 N ATOM 783 CA VAL A 53 -22.551 -23.853 25.396 1.00 0.00 C ATOM 784 C VAL A 53 -23.349 -22.879 24.524 1.00 0.00 C ATOM 785 O VAL A 53 -24.140 -23.309 23.680 1.00 0.00 O ATOM 786 CB VAL A 53 -21.411 -24.495 24.566 1.00 0.00 C ATOM 787 CG1 VAL A 53 -20.512 -23.442 23.893 1.00 0.00 C ATOM 788 CG2 VAL A 53 -20.536 -25.411 25.436 1.00 0.00 C ATOM 0 H VAL A 53 -23.749 -25.540 25.177 1.00 0.00 H new ATOM 0 HA VAL A 53 -22.085 -23.338 26.236 1.00 0.00 H new ATOM 0 HB VAL A 53 -21.899 -25.083 23.789 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.729 -23.943 23.324 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -21.112 -22.827 23.222 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -20.058 -22.810 24.656 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.745 -25.846 24.825 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.092 -24.830 26.244 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -21.149 -26.208 25.857 1.00 0.00 H new ATOM 798 N LEU A 54 -23.115 -21.577 24.711 1.00 0.00 N ATOM 799 CA LEU A 54 -23.686 -20.482 23.913 1.00 0.00 C ATOM 800 C LEU A 54 -22.565 -19.603 23.326 1.00 0.00 C ATOM 801 O LEU A 54 -21.423 -19.625 23.791 1.00 0.00 O ATOM 802 CB LEU A 54 -24.641 -19.650 24.797 1.00 0.00 C ATOM 803 CG LEU A 54 -25.855 -20.422 25.363 1.00 0.00 C ATOM 804 CD1 LEU A 54 -26.640 -19.513 26.318 1.00 0.00 C ATOM 805 CD2 LEU A 54 -26.801 -20.924 24.259 1.00 0.00 C ATOM 0 H LEU A 54 -22.499 -21.241 25.451 1.00 0.00 H new ATOM 0 HA LEU A 54 -24.252 -20.896 23.078 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -24.072 -19.238 25.631 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -25.008 -18.806 24.213 1.00 0.00 H new ATOM 0 HG LEU A 54 -25.466 -21.294 25.889 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -27.496 -20.057 26.717 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -25.993 -19.202 27.138 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -26.989 -18.633 25.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -27.636 -21.459 24.711 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -27.179 -20.075 23.690 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -26.259 -21.594 23.592 1.00 0.00 H new ATOM 817 N SER A 55 -22.887 -18.822 22.295 1.00 0.00 N ATOM 818 CA SER A 55 -21.921 -17.964 21.592 1.00 0.00 C ATOM 819 C SER A 55 -21.416 -16.795 22.454 1.00 0.00 C ATOM 820 O SER A 55 -22.203 -16.070 23.070 1.00 0.00 O ATOM 821 CB SER A 55 -22.531 -17.414 20.292 1.00 0.00 C ATOM 822 OG SER A 55 -23.024 -18.447 19.455 1.00 0.00 O ATOM 0 H SER A 55 -23.833 -18.763 21.918 1.00 0.00 H new ATOM 0 HA SER A 55 -21.063 -18.596 21.364 1.00 0.00 H new ATOM 0 HB2 SER A 55 -23.342 -16.727 20.535 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.777 -16.840 19.753 1.00 0.00 H new ATOM 0 HG SER A 55 -22.311 -18.751 18.855 1.00 0.00 H new ATOM 828 N ASN A 56 -20.100 -16.568 22.448 1.00 0.00 N ATOM 829 CA ASN A 56 -19.456 -15.390 23.034 1.00 0.00 C ATOM 830 C ASN A 56 -19.616 -14.157 22.124 1.00 0.00 C ATOM 831 O ASN A 56 -19.866 -14.279 20.922 1.00 0.00 O ATOM 832 CB ASN A 56 -17.962 -15.691 23.251 1.00 0.00 C ATOM 833 CG ASN A 56 -17.272 -14.761 24.253 1.00 0.00 C ATOM 834 OD1 ASN A 56 -17.891 -13.937 24.917 1.00 0.00 O ATOM 835 ND2 ASN A 56 -15.964 -14.874 24.393 1.00 0.00 N ATOM 0 H ASN A 56 -19.436 -17.216 22.024 1.00 0.00 H new ATOM 0 HA ASN A 56 -19.935 -15.166 23.987 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.857 -16.720 23.596 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.446 -15.621 22.293 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.468 -14.276 25.054 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.449 -15.560 23.840 1.00 0.00 H new ATOM 842 N SER A 57 -19.429 -12.961 22.675 1.00 0.00 N ATOM 843 CA SER A 57 -19.375 -11.721 21.891 1.00 0.00 C ATOM 844 C SER A 57 -17.985 -11.472 21.271 1.00 0.00 C ATOM 845 O SER A 57 -16.972 -12.000 21.736 1.00 0.00 O ATOM 846 CB SER A 57 -19.779 -10.519 22.760 1.00 0.00 C ATOM 847 OG SER A 57 -21.033 -10.737 23.396 1.00 0.00 O ATOM 0 H SER A 57 -19.310 -12.819 23.678 1.00 0.00 H new ATOM 0 HA SER A 57 -20.083 -11.837 21.070 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.013 -10.340 23.514 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.834 -9.623 22.142 1.00 0.00 H new ATOM 0 HG SER A 57 -21.263 -9.957 23.943 1.00 0.00 H new ATOM 853 N ALA A 58 -17.933 -10.626 20.235 1.00 0.00 N ATOM 854 CA ALA A 58 -16.693 -10.097 19.663 1.00 0.00 C ATOM 855 C ALA A 58 -16.100 -9.010 20.579 1.00 0.00 C ATOM 856 O ALA A 58 -16.847 -8.347 21.306 1.00 0.00 O ATOM 857 CB ALA A 58 -17.014 -9.515 18.280 1.00 0.00 C ATOM 0 H ALA A 58 -18.770 -10.284 19.763 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.955 -10.894 19.571 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.104 -9.114 17.834 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.417 -10.300 17.640 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.749 -8.717 18.383 1.00 0.00 H new ATOM 863 N GLU A 59 -14.790 -8.764 20.502 1.00 0.00 N ATOM 864 CA GLU A 59 -14.108 -7.722 21.278 1.00 0.00 C ATOM 865 C GLU A 59 -13.023 -7.026 20.447 1.00 0.00 C ATOM 866 O GLU A 59 -12.226 -7.690 19.786 1.00 0.00 O ATOM 867 CB GLU A 59 -13.511 -8.327 22.563 1.00 0.00 C ATOM 868 CG GLU A 59 -12.953 -7.252 23.508 1.00 0.00 C ATOM 869 CD GLU A 59 -12.533 -7.848 24.861 1.00 0.00 C ATOM 870 OE1 GLU A 59 -11.656 -8.745 24.895 1.00 0.00 O ATOM 871 OE2 GLU A 59 -13.076 -7.417 25.906 1.00 0.00 O ATOM 0 H GLU A 59 -14.164 -9.289 19.891 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.843 -6.965 21.554 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.278 -8.901 23.082 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.716 -9.024 22.299 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.095 -6.767 23.042 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.707 -6.481 23.668 1.00 0.00 H new ATOM 878 N VAL A 60 -12.972 -5.695 20.505 1.00 0.00 N ATOM 879 CA VAL A 60 -11.878 -4.887 19.946 1.00 0.00 C ATOM 880 C VAL A 60 -10.751 -4.779 20.979 1.00 0.00 C ATOM 881 O VAL A 60 -10.986 -4.383 22.120 1.00 0.00 O ATOM 882 CB VAL A 60 -12.372 -3.487 19.528 1.00 0.00 C ATOM 883 CG1 VAL A 60 -11.226 -2.597 19.023 1.00 0.00 C ATOM 884 CG2 VAL A 60 -13.412 -3.608 18.402 1.00 0.00 C ATOM 0 H VAL A 60 -13.700 -5.135 20.948 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.501 -5.378 19.049 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.810 -3.030 20.415 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.621 -1.621 18.740 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.486 -2.474 19.814 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.757 -3.064 18.157 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -13.754 -2.614 18.114 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.960 -4.099 17.540 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -14.260 -4.197 18.752 1.00 0.00 H new ATOM 894 N LYS A 61 -9.525 -5.126 20.579 1.00 0.00 N ATOM 895 CA LYS A 61 -8.353 -5.293 21.454 1.00 0.00 C ATOM 896 C LYS A 61 -7.126 -4.506 20.941 1.00 0.00 C ATOM 897 O LYS A 61 -6.997 -4.257 19.738 1.00 0.00 O ATOM 898 CB LYS A 61 -8.059 -6.808 21.578 1.00 0.00 C ATOM 899 CG LYS A 61 -9.222 -7.565 22.251 1.00 0.00 C ATOM 900 CD LYS A 61 -8.927 -9.050 22.489 1.00 0.00 C ATOM 901 CE LYS A 61 -7.937 -9.246 23.649 1.00 0.00 C ATOM 902 NZ LYS A 61 -7.714 -10.687 23.952 1.00 0.00 N ATOM 0 H LYS A 61 -9.309 -5.306 19.599 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.571 -4.879 22.438 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.879 -7.225 20.587 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.147 -6.955 22.156 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.450 -7.090 23.205 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.112 -7.475 21.629 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.856 -9.576 22.708 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.517 -9.491 21.580 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.986 -8.777 23.398 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.316 -8.742 24.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.041 -10.776 24.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.617 -11.130 24.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.328 -11.163 23.111 1.00 0.00 H new ATOM 916 N ARG A 62 -6.223 -4.104 21.849 1.00 0.00 N ATOM 917 CA ARG A 62 -4.939 -3.435 21.547 1.00 0.00 C ATOM 918 C ARG A 62 -3.771 -4.414 21.728 1.00 0.00 C ATOM 919 O ARG A 62 -3.748 -5.175 22.698 1.00 0.00 O ATOM 920 CB ARG A 62 -4.767 -2.206 22.458 1.00 0.00 C ATOM 921 CG ARG A 62 -3.519 -1.370 22.120 1.00 0.00 C ATOM 922 CD ARG A 62 -3.411 -0.142 23.032 1.00 0.00 C ATOM 923 NE ARG A 62 -2.242 0.693 22.689 1.00 0.00 N ATOM 924 CZ ARG A 62 -0.973 0.492 23.035 1.00 0.00 C ATOM 925 NH1 ARG A 62 -0.592 -0.548 23.750 1.00 0.00 N ATOM 926 NH2 ARG A 62 -0.052 1.350 22.652 1.00 0.00 N ATOM 0 H ARG A 62 -6.368 -4.239 22.850 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.944 -3.103 20.509 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.652 -1.575 22.377 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.705 -2.536 23.495 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.626 -1.985 22.227 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.563 -1.050 21.079 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.320 0.454 22.949 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.335 -0.465 24.070 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.429 1.519 22.121 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.280 -1.235 24.059 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.391 -0.666 23.995 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.313 2.163 22.094 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.923 1.202 22.914 1.00 0.00 H new ATOM 940 N GLU A 63 -2.793 -4.370 20.818 1.00 0.00 N ATOM 941 CA GLU A 63 -1.690 -5.336 20.731 1.00 0.00 C ATOM 942 C GLU A 63 -0.586 -4.811 19.792 1.00 0.00 C ATOM 943 O GLU A 63 -0.770 -3.784 19.135 1.00 0.00 O ATOM 944 CB GLU A 63 -2.277 -6.688 20.269 1.00 0.00 C ATOM 945 CG GLU A 63 -1.361 -7.910 20.316 1.00 0.00 C ATOM 946 CD GLU A 63 -0.630 -8.023 21.661 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.236 -8.499 22.651 1.00 0.00 O ATOM 948 OE2 GLU A 63 0.540 -7.578 21.745 1.00 0.00 O ATOM 0 H GLU A 63 -2.744 -3.644 20.103 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.216 -5.477 21.702 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.153 -6.901 20.882 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.627 -6.570 19.243 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.949 -8.812 20.145 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.631 -7.848 19.509 1.00 0.00 H new ATOM 955 N ARG A 64 0.556 -5.497 19.708 1.00 0.00 N ATOM 956 CA ARG A 64 1.610 -5.238 18.716 1.00 0.00 C ATOM 957 C ARG A 64 1.393 -6.074 17.450 1.00 0.00 C ATOM 958 O ARG A 64 0.994 -7.238 17.529 1.00 0.00 O ATOM 959 CB ARG A 64 2.990 -5.526 19.329 1.00 0.00 C ATOM 960 CG ARG A 64 3.348 -4.512 20.433 1.00 0.00 C ATOM 961 CD ARG A 64 4.695 -4.863 21.071 1.00 0.00 C ATOM 962 NE ARG A 64 5.072 -3.884 22.106 1.00 0.00 N ATOM 963 CZ ARG A 64 5.955 -4.067 23.084 1.00 0.00 C ATOM 964 NH1 ARG A 64 6.632 -5.189 23.218 1.00 0.00 N ATOM 965 NH2 ARG A 64 6.177 -3.102 23.951 1.00 0.00 N ATOM 0 H ARG A 64 0.782 -6.265 20.340 1.00 0.00 H new ATOM 0 HA ARG A 64 1.565 -4.187 18.430 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.000 -6.534 19.744 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.749 -5.495 18.547 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.390 -3.507 20.012 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.569 -4.506 21.195 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.642 -5.858 21.512 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.466 -4.896 20.301 1.00 0.00 H new ATOM 0 HE ARG A 64 4.610 -2.975 22.069 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.487 -5.954 22.559 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.301 -5.293 23.981 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.673 -2.219 23.871 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.853 -3.237 24.703 1.00 0.00 H new ATOM 979 N LEU A 65 1.692 -5.513 16.270 1.00 0.00 N ATOM 980 CA LEU A 65 1.421 -6.159 14.973 1.00 0.00 C ATOM 981 C LEU A 65 2.056 -7.553 14.894 1.00 0.00 C ATOM 982 O LEU A 65 1.348 -8.515 14.611 1.00 0.00 O ATOM 983 CB LEU A 65 1.884 -5.240 13.818 1.00 0.00 C ATOM 984 CG LEU A 65 1.680 -5.849 12.408 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.204 -6.116 12.079 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.252 -4.921 11.332 1.00 0.00 C ATOM 0 H LEU A 65 2.130 -4.596 16.185 1.00 0.00 H new ATOM 0 HA LEU A 65 0.346 -6.307 14.875 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.340 -4.297 13.877 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.940 -5.008 13.953 1.00 0.00 H new ATOM 0 HG LEU A 65 2.207 -6.803 12.416 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.125 -6.542 11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.210 -6.816 12.805 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.353 -5.180 12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.099 -5.366 10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.746 -3.957 11.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.319 -4.779 11.504 1.00 0.00 H new ATOM 998 N GLU A 66 3.343 -7.678 15.225 1.00 0.00 N ATOM 999 CA GLU A 66 4.062 -8.962 15.187 1.00 0.00 C ATOM 1000 C GLU A 66 3.403 -10.069 16.035 1.00 0.00 C ATOM 1001 O GLU A 66 3.440 -11.234 15.643 1.00 0.00 O ATOM 1002 CB GLU A 66 5.540 -8.757 15.567 1.00 0.00 C ATOM 1003 CG GLU A 66 5.773 -8.303 17.018 1.00 0.00 C ATOM 1004 CD GLU A 66 7.265 -8.065 17.278 1.00 0.00 C ATOM 1005 OE1 GLU A 66 7.984 -9.034 17.624 1.00 0.00 O ATOM 1006 OE2 GLU A 66 7.729 -6.906 17.140 1.00 0.00 O ATOM 0 H GLU A 66 3.920 -6.894 15.528 1.00 0.00 H new ATOM 0 HA GLU A 66 4.007 -9.321 14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.076 -9.691 15.402 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.975 -8.017 14.895 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.214 -7.387 17.212 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.395 -9.059 17.706 1.00 0.00 H new ATOM 1013 N ASP A 67 2.728 -9.721 17.141 1.00 0.00 N ATOM 1014 CA ASP A 67 1.999 -10.681 17.979 1.00 0.00 C ATOM 1015 C ASP A 67 0.636 -11.036 17.364 1.00 0.00 C ATOM 1016 O ASP A 67 0.270 -12.212 17.326 1.00 0.00 O ATOM 1017 CB ASP A 67 1.845 -10.111 19.394 1.00 0.00 C ATOM 1018 CG ASP A 67 1.230 -11.148 20.347 1.00 0.00 C ATOM 1019 OD1 ASP A 67 1.999 -11.961 20.914 1.00 0.00 O ATOM 1020 OD2 ASP A 67 -0.012 -11.150 20.521 1.00 0.00 O ATOM 0 H ASP A 67 2.673 -8.760 17.480 1.00 0.00 H new ATOM 0 HA ASP A 67 2.571 -11.607 18.035 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.819 -9.799 19.771 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.215 -9.222 19.364 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.077 -10.049 16.801 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.307 -10.304 16.025 1.00 0.00 C ATOM 1027 C VAL A 68 -1.020 -11.188 14.807 1.00 0.00 C ATOM 1028 O VAL A 68 -1.804 -12.077 14.496 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.063 -9.019 15.610 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.408 -9.349 14.935 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.358 -8.137 16.831 1.00 0.00 C ATOM 0 H VAL A 68 0.175 -9.063 16.867 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.975 -10.839 16.700 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.416 -8.492 14.908 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.912 -8.424 14.657 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.230 -9.948 14.042 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.035 -9.909 15.628 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.890 -7.240 16.512 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.973 -8.691 17.540 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.421 -7.852 17.309 1.00 0.00 H new ATOM 1041 N VAL A 69 0.125 -10.984 14.159 1.00 0.00 N ATOM 1042 CA VAL A 69 0.535 -11.679 12.931 1.00 0.00 C ATOM 1043 C VAL A 69 1.089 -13.086 13.201 1.00 0.00 C ATOM 1044 O VAL A 69 0.834 -13.994 12.412 1.00 0.00 O ATOM 1045 CB VAL A 69 1.547 -10.786 12.180 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.241 -11.482 11.011 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.827 -9.535 11.652 1.00 0.00 C ATOM 0 H VAL A 69 0.819 -10.309 14.481 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.343 -11.840 12.305 1.00 0.00 H new ATOM 0 HB VAL A 69 2.323 -10.531 12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.935 -10.789 10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.788 -12.350 11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.495 -11.804 10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.539 -8.902 11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.030 -9.834 10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.401 -8.980 12.488 1.00 0.00 H new ATOM 1057 N GLY A 70 1.836 -13.286 14.296 1.00 0.00 N ATOM 1058 CA GLY A 70 2.389 -14.594 14.684 1.00 0.00 C ATOM 1059 C GLY A 70 3.491 -15.115 13.754 1.00 0.00 C ATOM 1060 O GLY A 70 3.713 -16.322 13.692 1.00 0.00 O ATOM 0 H GLY A 70 2.077 -12.537 14.945 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.788 -14.521 15.696 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.579 -15.323 14.713 1.00 0.00 H new ATOM 1064 N GLY A 71 4.133 -14.225 12.986 1.00 0.00 N ATOM 1065 CA GLY A 71 5.127 -14.557 11.951 1.00 0.00 C ATOM 1066 C GLY A 71 4.533 -14.922 10.580 1.00 0.00 C ATOM 1067 O GLY A 71 5.290 -15.268 9.672 1.00 0.00 O ATOM 0 H GLY A 71 3.971 -13.221 13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.798 -13.707 11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.732 -15.392 12.303 1.00 0.00 H new ATOM 1071 N CYS A 72 3.204 -14.858 10.423 1.00 0.00 N ATOM 1072 CA CYS A 72 2.481 -15.177 9.181 1.00 0.00 C ATOM 1073 C CYS A 72 2.421 -13.983 8.190 1.00 0.00 C ATOM 1074 O CYS A 72 3.125 -12.983 8.348 1.00 0.00 O ATOM 1075 CB CYS A 72 1.101 -15.723 9.600 1.00 0.00 C ATOM 1076 SG CYS A 72 0.403 -16.786 8.303 1.00 0.00 S ATOM 0 H CYS A 72 2.582 -14.574 11.180 1.00 0.00 H new ATOM 0 HA CYS A 72 3.013 -15.936 8.607 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.195 -16.288 10.527 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.423 -14.893 9.800 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.619 -17.434 8.777 1.00 0.00 H new ATOM 1082 N CYS A 73 1.582 -14.089 7.154 1.00 0.00 N ATOM 1083 CA CYS A 73 1.428 -13.092 6.083 1.00 0.00 C ATOM 1084 C CYS A 73 0.455 -11.952 6.451 1.00 0.00 C ATOM 1085 O CYS A 73 -0.520 -12.155 7.177 1.00 0.00 O ATOM 1086 CB CYS A 73 0.991 -13.818 4.796 1.00 0.00 C ATOM 1087 SG CYS A 73 2.255 -15.034 4.308 1.00 0.00 S ATOM 0 H CYS A 73 0.971 -14.896 7.032 1.00 0.00 H new ATOM 0 HA CYS A 73 2.390 -12.604 5.927 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.036 -14.318 4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 73 0.841 -13.095 3.994 1.00 0.00 H new ATOM 0 HG CYS A 73 1.876 -15.642 3.223 1.00 0.00 H new ATOM 1093 N TYR A 74 0.685 -10.764 5.877 1.00 0.00 N ATOM 1094 CA TYR A 74 -0.159 -9.563 6.038 1.00 0.00 C ATOM 1095 C TYR A 74 0.109 -8.482 4.967 1.00 0.00 C ATOM 1096 O TYR A 74 1.166 -8.476 4.331 1.00 0.00 O ATOM 1097 CB TYR A 74 -0.007 -8.981 7.457 1.00 0.00 C ATOM 1098 CG TYR A 74 1.345 -8.355 7.753 1.00 0.00 C ATOM 1099 CD1 TYR A 74 2.403 -9.156 8.223 1.00 0.00 C ATOM 1100 CD2 TYR A 74 1.549 -6.977 7.549 1.00 0.00 C ATOM 1101 CE1 TYR A 74 3.651 -8.578 8.521 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.799 -6.394 7.830 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.852 -7.191 8.336 1.00 0.00 C ATOM 1104 OH TYR A 74 5.054 -6.630 8.642 1.00 0.00 O ATOM 0 H TYR A 74 1.487 -10.603 5.268 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.190 -9.886 5.893 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.780 -8.228 7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.189 -9.776 8.181 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.256 -10.218 8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.742 -6.364 7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.456 -9.195 8.892 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.954 -5.339 7.659 1.00 0.00 H new ATOM 0 HH TYR A 74 5.023 -5.669 8.455 1.00 0.00 H new ATOM 1114 N ARG A 75 -0.845 -7.555 4.786 1.00 0.00 N ATOM 1115 CA ARG A 75 -0.830 -6.474 3.772 1.00 0.00 C ATOM 1116 C ARG A 75 -1.876 -5.391 4.076 1.00 0.00 C ATOM 1117 O ARG A 75 -2.881 -5.711 4.704 1.00 0.00 O ATOM 1118 CB ARG A 75 -0.963 -7.024 2.330 1.00 0.00 C ATOM 1119 CG ARG A 75 -2.336 -7.586 1.914 1.00 0.00 C ATOM 1120 CD ARG A 75 -2.803 -8.728 2.820 1.00 0.00 C ATOM 1121 NE ARG A 75 -3.974 -9.449 2.294 1.00 0.00 N ATOM 1122 CZ ARG A 75 -4.624 -10.417 2.937 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -4.344 -10.768 4.172 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -5.602 -11.081 2.376 1.00 0.00 N ATOM 0 H ARG A 75 -1.686 -7.532 5.363 1.00 0.00 H new ATOM 0 HA ARG A 75 0.148 -5.997 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.702 -6.223 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.222 -7.812 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.074 -6.785 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.282 -7.942 0.885 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.983 -9.433 2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.045 -8.326 3.804 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.313 -9.187 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.599 -10.292 4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.871 -11.517 4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.885 -10.862 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.081 -11.818 2.894 1.00 0.00 H new ATOM 1138 N VAL A 76 -1.682 -4.143 3.640 1.00 0.00 N ATOM 1139 CA VAL A 76 -2.704 -3.077 3.785 1.00 0.00 C ATOM 1140 C VAL A 76 -3.722 -3.147 2.643 1.00 0.00 C ATOM 1141 O VAL A 76 -3.360 -3.380 1.489 1.00 0.00 O ATOM 1142 CB VAL A 76 -2.093 -1.657 3.923 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -3.106 -0.496 3.786 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.412 -1.523 5.296 1.00 0.00 C ATOM 0 H VAL A 76 -0.825 -3.835 3.180 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.224 -3.265 4.724 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.391 -1.567 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.586 0.456 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.578 -0.539 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.868 -0.585 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.983 -0.526 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.148 -1.680 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.622 -2.268 5.384 1.00 0.00 H new ATOM 1154 N ASN A 77 -4.993 -2.910 2.978 1.00 0.00 N ATOM 1155 CA ASN A 77 -6.111 -2.824 2.042 1.00 0.00 C ATOM 1156 C ASN A 77 -7.165 -1.806 2.530 1.00 0.00 C ATOM 1157 O ASN A 77 -8.155 -2.150 3.175 1.00 0.00 O ATOM 1158 CB ASN A 77 -6.700 -4.226 1.821 1.00 0.00 C ATOM 1159 CG ASN A 77 -7.815 -4.250 0.779 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -8.069 -3.288 0.063 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.509 -5.364 0.663 1.00 0.00 N ATOM 0 H ASN A 77 -5.280 -2.768 3.946 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.756 -2.455 1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.905 -4.903 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.087 -4.604 2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.260 -5.428 -0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.295 -6.163 1.260 1.00 0.00 H new ATOM 1168 N ASN A 78 -6.970 -0.537 2.166 1.00 0.00 N ATOM 1169 CA ASN A 78 -7.950 0.540 2.338 1.00 0.00 C ATOM 1170 C ASN A 78 -9.020 0.425 1.221 1.00 0.00 C ATOM 1171 O ASN A 78 -9.052 1.209 0.273 1.00 0.00 O ATOM 1172 CB ASN A 78 -7.214 1.898 2.349 1.00 0.00 C ATOM 1173 CG ASN A 78 -6.459 2.236 3.637 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -6.649 1.661 4.703 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -5.616 3.246 3.574 1.00 0.00 N ATOM 0 H ASN A 78 -6.103 -0.220 1.732 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.472 0.459 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.506 1.913 1.521 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.943 2.686 2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.121 3.550 4.412 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.458 3.724 2.687 1.00 0.00 H new ATOM 1182 N SER A 79 -9.835 -0.628 1.308 1.00 0.00 N ATOM 1183 CA SER A 79 -10.823 -1.060 0.304 1.00 0.00 C ATOM 1184 C SER A 79 -11.913 -0.012 -0.006 1.00 0.00 C ATOM 1185 O SER A 79 -11.782 0.743 -0.972 1.00 0.00 O ATOM 1186 CB SER A 79 -11.416 -2.420 0.718 1.00 0.00 C ATOM 1187 OG SER A 79 -11.915 -2.418 2.053 1.00 0.00 O ATOM 0 H SER A 79 -9.827 -1.240 2.124 1.00 0.00 H new ATOM 0 HA SER A 79 -10.292 -1.173 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.222 -2.684 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.651 -3.190 0.621 1.00 0.00 H new ATOM 0 HG SER A 79 -12.281 -3.301 2.267 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.994 0.053 0.789 1.00 0.00 N ATOM 1194 CA LEU A 80 -14.097 1.020 0.597 1.00 0.00 C ATOM 1195 C LEU A 80 -13.638 2.481 0.686 1.00 0.00 C ATOM 1196 O LEU A 80 -14.264 3.369 0.116 1.00 0.00 O ATOM 1197 CB LEU A 80 -15.209 0.779 1.634 1.00 0.00 C ATOM 1198 CG LEU A 80 -16.064 -0.486 1.430 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -17.107 -0.553 2.555 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -16.776 -0.482 0.066 1.00 0.00 C ATOM 0 H LEU A 80 -13.132 -0.566 1.588 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.475 0.853 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.751 0.728 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.872 1.645 1.634 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.409 -1.357 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.723 -1.443 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.600 -0.597 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.739 0.334 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.368 -1.391 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -17.431 0.387 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.034 -0.439 -0.732 1.00 0.00 H new ATOM 1212 N ASP A 81 -12.517 2.729 1.355 1.00 0.00 N ATOM 1213 CA ASP A 81 -11.838 4.020 1.444 1.00 0.00 C ATOM 1214 C ASP A 81 -11.573 4.617 0.048 1.00 0.00 C ATOM 1215 O ASP A 81 -11.741 5.819 -0.165 1.00 0.00 O ATOM 1216 CB ASP A 81 -10.508 3.812 2.184 1.00 0.00 C ATOM 1217 CG ASP A 81 -10.587 2.887 3.411 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -10.802 1.666 3.248 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -10.435 3.389 4.543 1.00 0.00 O ATOM 0 H ASP A 81 -12.032 1.999 1.877 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.475 4.722 1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.780 3.402 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.131 4.784 2.503 1.00 0.00 H new ATOM 1224 N HIS A 82 -11.242 3.764 -0.929 1.00 0.00 N ATOM 1225 CA HIS A 82 -11.006 4.141 -2.325 1.00 0.00 C ATOM 1226 C HIS A 82 -12.270 4.721 -3.010 1.00 0.00 C ATOM 1227 O HIS A 82 -12.169 5.413 -4.030 1.00 0.00 O ATOM 1228 CB HIS A 82 -10.507 2.880 -3.060 1.00 0.00 C ATOM 1229 CG HIS A 82 -9.741 3.140 -4.340 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -10.064 4.039 -5.332 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -8.596 2.504 -4.742 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -9.138 3.953 -6.304 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -8.215 3.024 -5.989 1.00 0.00 N ATOM 0 H HIS A 82 -11.128 2.764 -0.764 1.00 0.00 H new ATOM 0 HA HIS A 82 -10.263 4.938 -2.364 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.869 2.313 -2.382 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.366 2.250 -3.291 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.870 4.665 -5.330 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.075 1.734 -4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.135 4.544 -7.208 1.00 0.00 H new ATOM 1241 N GLU A 83 -13.458 4.438 -2.469 1.00 0.00 N ATOM 1242 CA GLU A 83 -14.751 4.820 -3.034 1.00 0.00 C ATOM 1243 C GLU A 83 -15.218 6.219 -2.575 1.00 0.00 C ATOM 1244 O GLU A 83 -15.970 6.876 -3.297 1.00 0.00 O ATOM 1245 CB GLU A 83 -15.779 3.741 -2.640 1.00 0.00 C ATOM 1246 CG GLU A 83 -17.017 3.675 -3.536 1.00 0.00 C ATOM 1247 CD GLU A 83 -16.680 3.252 -4.976 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -16.378 2.055 -5.207 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -16.736 4.106 -5.893 1.00 0.00 O ATOM 0 H GLU A 83 -13.547 3.919 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.653 4.884 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.287 2.769 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -16.100 3.922 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.732 2.970 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.503 4.651 -3.552 1.00 0.00 H new ATOM 1256 N TYR A 84 -14.758 6.697 -1.406 1.00 0.00 N ATOM 1257 CA TYR A 84 -15.301 7.910 -0.756 1.00 0.00 C ATOM 1258 C TYR A 84 -14.283 8.962 -0.260 1.00 0.00 C ATOM 1259 O TYR A 84 -14.638 10.136 -0.122 1.00 0.00 O ATOM 1260 CB TYR A 84 -16.116 7.470 0.481 1.00 0.00 C ATOM 1261 CG TYR A 84 -17.037 6.271 0.324 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -18.074 6.279 -0.630 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -16.863 5.148 1.158 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -18.927 5.165 -0.757 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -17.722 4.040 1.051 1.00 0.00 C ATOM 1266 CZ TYR A 84 -18.754 4.041 0.085 1.00 0.00 C ATOM 1267 OH TYR A 84 -19.584 2.969 -0.037 1.00 0.00 O ATOM 0 H TYR A 84 -14.001 6.257 -0.883 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.876 8.399 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -15.414 7.252 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.720 8.318 0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.215 7.141 -1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.064 5.139 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -19.713 5.169 -1.497 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.594 3.190 1.705 1.00 0.00 H new ATOM 0 HH TYR A 84 -19.329 2.282 0.614 1.00 0.00 H new ATOM 1277 N GLN A 85 -13.068 8.557 0.129 1.00 0.00 N ATOM 1278 CA GLN A 85 -12.501 9.043 1.396 1.00 0.00 C ATOM 1279 C GLN A 85 -11.156 9.816 1.242 1.00 0.00 C ATOM 1280 O GLN A 85 -10.179 9.230 0.766 1.00 0.00 O ATOM 1281 CB GLN A 85 -12.304 7.785 2.261 1.00 0.00 C ATOM 1282 CG GLN A 85 -12.112 8.038 3.757 1.00 0.00 C ATOM 1283 CD GLN A 85 -11.366 6.864 4.361 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -10.181 6.946 4.619 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -11.978 5.717 4.531 1.00 0.00 N ATOM 0 H GLN A 85 -12.473 7.915 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.178 9.772 1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.169 7.135 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -11.436 7.241 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.554 8.961 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -13.078 8.162 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.972 5.633 4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.460 4.909 4.876 1.00 0.00 H new ATOM 1294 N PRO A 86 -11.057 11.085 1.708 1.00 0.00 N ATOM 1295 CA PRO A 86 -9.795 11.838 1.814 1.00 0.00 C ATOM 1296 C PRO A 86 -8.818 11.360 2.913 1.00 0.00 C ATOM 1297 O PRO A 86 -7.631 11.669 2.832 1.00 0.00 O ATOM 1298 CB PRO A 86 -10.199 13.294 2.089 1.00 0.00 C ATOM 1299 CG PRO A 86 -11.630 13.384 1.575 1.00 0.00 C ATOM 1300 CD PRO A 86 -12.175 12.000 1.908 1.00 0.00 C ATOM 0 HA PRO A 86 -9.242 11.693 0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.141 13.530 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.544 13.994 1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.193 14.174 2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.667 13.590 0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.539 11.958 2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.014 11.742 1.262 1.00 0.00 H new ATOM 1308 N ARG A 87 -9.311 10.640 3.938 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.555 9.959 5.012 1.00 0.00 C ATOM 1310 C ARG A 87 -7.855 10.907 6.019 1.00 0.00 C ATOM 1311 O ARG A 87 -6.644 11.133 5.921 1.00 0.00 O ATOM 1312 CB ARG A 87 -7.611 8.902 4.393 1.00 0.00 C ATOM 1313 CG ARG A 87 -6.859 7.977 5.374 1.00 0.00 C ATOM 1314 CD ARG A 87 -7.668 7.441 6.574 1.00 0.00 C ATOM 1315 NE ARG A 87 -7.253 6.070 6.946 1.00 0.00 N ATOM 1316 CZ ARG A 87 -7.606 4.956 6.309 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -8.383 4.982 5.259 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -7.196 3.780 6.723 1.00 0.00 N ATOM 0 H ARG A 87 -10.317 10.508 4.047 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.282 9.446 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.197 8.277 3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.872 9.422 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.476 7.125 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.995 8.519 5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.536 8.105 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.730 7.446 6.328 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.645 5.970 7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.736 5.872 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.637 4.112 4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.597 3.709 7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.477 2.937 6.222 1.00 0.00 H new ATOM 1332 N PRO A 88 -8.585 11.407 7.044 1.00 0.00 N ATOM 1333 CA PRO A 88 -8.009 12.130 8.175 1.00 0.00 C ATOM 1334 C PRO A 88 -7.391 11.121 9.157 1.00 0.00 C ATOM 1335 O PRO A 88 -8.080 10.542 9.994 1.00 0.00 O ATOM 1336 CB PRO A 88 -9.175 12.930 8.769 1.00 0.00 C ATOM 1337 CG PRO A 88 -10.385 12.041 8.491 1.00 0.00 C ATOM 1338 CD PRO A 88 -10.041 11.384 7.153 1.00 0.00 C ATOM 0 HA PRO A 88 -7.199 12.807 7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.041 13.105 9.836 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.276 13.907 8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.529 11.300 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -11.305 12.622 8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.417 10.362 7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.501 11.924 6.326 1.00 0.00 H new ATOM 1346 N VAL A 89 -6.079 10.891 9.044 1.00 0.00 N ATOM 1347 CA VAL A 89 -5.371 9.804 9.760 1.00 0.00 C ATOM 1348 C VAL A 89 -5.490 9.947 11.280 1.00 0.00 C ATOM 1349 O VAL A 89 -5.758 8.961 11.960 1.00 0.00 O ATOM 1350 CB VAL A 89 -3.889 9.718 9.299 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -2.975 8.931 10.252 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -3.822 9.079 7.903 1.00 0.00 C ATOM 0 H VAL A 89 -5.467 11.452 8.452 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.856 8.863 9.501 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.519 10.743 9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.960 8.920 9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.977 9.406 11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.340 7.908 10.344 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.783 9.019 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.249 8.077 7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.387 9.688 7.197 1.00 0.00 H new ATOM 1362 N GLU A 90 -5.374 11.165 11.819 1.00 0.00 N ATOM 1363 CA GLU A 90 -5.436 11.395 13.271 1.00 0.00 C ATOM 1364 C GLU A 90 -6.838 11.129 13.839 1.00 0.00 C ATOM 1365 O GLU A 90 -6.972 10.562 14.922 1.00 0.00 O ATOM 1366 CB GLU A 90 -4.925 12.804 13.623 1.00 0.00 C ATOM 1367 CG GLU A 90 -5.766 13.974 13.092 1.00 0.00 C ATOM 1368 CD GLU A 90 -5.089 15.317 13.399 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -5.309 15.877 14.500 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -4.338 15.830 12.536 1.00 0.00 O ATOM 0 H GLU A 90 -5.236 12.013 11.270 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.773 10.674 13.749 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.866 12.887 14.708 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.910 12.908 13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.904 13.869 12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.757 13.950 13.545 1.00 0.00 H new ATOM 1377 N VAL A 91 -7.887 11.455 13.078 1.00 0.00 N ATOM 1378 CA VAL A 91 -9.290 11.205 13.469 1.00 0.00 C ATOM 1379 C VAL A 91 -9.578 9.700 13.462 1.00 0.00 C ATOM 1380 O VAL A 91 -10.182 9.191 14.402 1.00 0.00 O ATOM 1381 CB VAL A 91 -10.278 11.965 12.551 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -11.752 11.605 12.809 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -10.102 13.487 12.702 1.00 0.00 C ATOM 0 H VAL A 91 -7.793 11.903 12.166 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.435 11.583 14.481 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.035 11.653 11.535 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.389 12.173 12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.901 10.539 12.639 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.011 11.847 13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.806 14.001 12.048 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.291 13.774 13.736 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.084 13.764 12.429 1.00 0.00 H new ATOM 1393 N ILE A 92 -9.104 8.966 12.447 1.00 0.00 N ATOM 1394 CA ILE A 92 -9.320 7.507 12.346 1.00 0.00 C ATOM 1395 C ILE A 92 -8.494 6.726 13.384 1.00 0.00 C ATOM 1396 O ILE A 92 -9.000 5.766 13.964 1.00 0.00 O ATOM 1397 CB ILE A 92 -9.165 7.080 10.863 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -10.464 7.524 10.139 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -8.917 5.569 10.691 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -10.390 7.537 8.612 1.00 0.00 C ATOM 0 H ILE A 92 -8.564 9.358 11.676 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.340 7.241 12.624 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.284 7.556 10.434 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -11.274 6.860 10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.727 8.525 10.482 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.817 5.335 9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.001 5.289 11.212 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.756 5.013 11.108 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.347 7.861 8.204 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.607 8.225 8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.162 6.534 8.250 1.00 0.00 H new ATOM 1412 N ILE A 93 -7.286 7.186 13.727 1.00 0.00 N ATOM 1413 CA ILE A 93 -6.522 6.638 14.870 1.00 0.00 C ATOM 1414 C ILE A 93 -7.231 6.963 16.191 1.00 0.00 C ATOM 1415 O ILE A 93 -7.287 6.116 17.078 1.00 0.00 O ATOM 1416 CB ILE A 93 -5.067 7.165 14.845 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -4.309 6.525 13.659 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -4.326 6.870 16.168 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -2.947 7.173 13.392 1.00 0.00 C ATOM 0 H ILE A 93 -6.809 7.939 13.232 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.477 5.552 14.784 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.101 8.248 14.724 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.166 5.463 13.859 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.922 6.601 12.761 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.308 7.256 16.109 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.850 7.352 16.994 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.296 5.793 16.336 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.468 6.677 12.548 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.086 8.229 13.162 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.317 7.074 14.276 1.00 0.00 H new ATOM 1431 N SER A 94 -7.806 8.156 16.329 1.00 0.00 N ATOM 1432 CA SER A 94 -8.554 8.535 17.536 1.00 0.00 C ATOM 1433 C SER A 94 -9.806 7.662 17.714 1.00 0.00 C ATOM 1434 O SER A 94 -10.063 7.165 18.810 1.00 0.00 O ATOM 1435 CB SER A 94 -8.945 10.021 17.507 1.00 0.00 C ATOM 1436 OG SER A 94 -7.802 10.859 17.423 1.00 0.00 O ATOM 0 H SER A 94 -7.770 8.885 15.616 1.00 0.00 H new ATOM 0 HA SER A 94 -7.895 8.369 18.388 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.599 10.210 16.656 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.512 10.267 18.405 1.00 0.00 H new ATOM 0 HG SER A 94 -7.577 11.012 16.482 1.00 0.00 H new ATOM 1442 N SER A 95 -10.538 7.393 16.632 1.00 0.00 N ATOM 1443 CA SER A 95 -11.652 6.440 16.605 1.00 0.00 C ATOM 1444 C SER A 95 -11.215 5.038 17.053 1.00 0.00 C ATOM 1445 O SER A 95 -11.887 4.429 17.882 1.00 0.00 O ATOM 1446 CB SER A 95 -12.243 6.370 15.189 1.00 0.00 C ATOM 1447 OG SER A 95 -12.916 7.574 14.852 1.00 0.00 O ATOM 0 H SER A 95 -10.371 7.840 15.731 1.00 0.00 H new ATOM 0 HA SER A 95 -12.408 6.794 17.306 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.447 6.182 14.469 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.937 5.532 15.123 1.00 0.00 H new ATOM 0 HG SER A 95 -12.258 8.269 14.643 1.00 0.00 H new ATOM 1453 N ALA A 96 -10.067 4.535 16.582 1.00 0.00 N ATOM 1454 CA ALA A 96 -9.515 3.247 17.010 1.00 0.00 C ATOM 1455 C ALA A 96 -9.195 3.223 18.518 1.00 0.00 C ATOM 1456 O ALA A 96 -9.624 2.322 19.245 1.00 0.00 O ATOM 1457 CB ALA A 96 -8.291 2.966 16.126 1.00 0.00 C ATOM 0 H ALA A 96 -9.493 5.015 15.889 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.249 2.451 16.881 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.847 2.012 16.412 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.599 2.925 15.081 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.557 3.761 16.257 1.00 0.00 H new ATOM 1463 N LYS A 97 -8.528 4.267 19.018 1.00 0.00 N ATOM 1464 CA LYS A 97 -8.240 4.452 20.448 1.00 0.00 C ATOM 1465 C LYS A 97 -9.500 4.717 21.307 1.00 0.00 C ATOM 1466 O LYS A 97 -9.428 4.581 22.528 1.00 0.00 O ATOM 1467 CB LYS A 97 -7.202 5.575 20.614 1.00 0.00 C ATOM 1468 CG LYS A 97 -5.815 5.233 20.039 1.00 0.00 C ATOM 1469 CD LYS A 97 -4.869 6.430 20.219 1.00 0.00 C ATOM 1470 CE LYS A 97 -3.458 6.112 19.696 1.00 0.00 C ATOM 1471 NZ LYS A 97 -2.523 7.255 19.901 1.00 0.00 N ATOM 0 H LYS A 97 -8.166 5.021 18.434 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.834 3.513 20.823 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.575 6.476 20.126 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.098 5.806 21.674 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.408 4.357 20.543 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.901 4.981 18.982 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.269 7.295 19.690 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.816 6.699 21.274 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.071 5.230 20.206 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.509 5.870 18.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.582 7.004 19.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.879 8.090 19.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.455 7.470 20.916 1.00 0.00 H new ATOM 1485 N GLU A 98 -10.646 5.055 20.707 1.00 0.00 N ATOM 1486 CA GLU A 98 -11.950 5.110 21.376 1.00 0.00 C ATOM 1487 C GLU A 98 -12.678 3.751 21.328 1.00 0.00 C ATOM 1488 O GLU A 98 -13.314 3.356 22.307 1.00 0.00 O ATOM 1489 CB GLU A 98 -12.836 6.220 20.777 1.00 0.00 C ATOM 1490 CG GLU A 98 -12.413 7.613 21.266 1.00 0.00 C ATOM 1491 CD GLU A 98 -13.363 8.697 20.733 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -14.399 8.968 21.387 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -13.079 9.298 19.669 1.00 0.00 O ATOM 0 H GLU A 98 -10.694 5.304 19.719 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.762 5.347 22.423 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.779 6.184 19.689 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.877 6.040 21.047 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.408 7.633 22.356 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.395 7.824 20.938 1.00 0.00 H new ATOM 1500 N MET A 99 -12.552 3.008 20.221 1.00 0.00 N ATOM 1501 CA MET A 99 -13.117 1.659 20.042 1.00 0.00 C ATOM 1502 C MET A 99 -12.417 0.580 20.877 1.00 0.00 C ATOM 1503 O MET A 99 -13.031 -0.444 21.161 1.00 0.00 O ATOM 1504 CB MET A 99 -13.086 1.252 18.559 1.00 0.00 C ATOM 1505 CG MET A 99 -14.153 1.981 17.734 1.00 0.00 C ATOM 1506 SD MET A 99 -14.174 1.552 15.973 1.00 0.00 S ATOM 1507 CE MET A 99 -14.622 -0.201 16.059 1.00 0.00 C ATOM 0 H MET A 99 -12.041 3.335 19.401 1.00 0.00 H new ATOM 0 HA MET A 99 -14.145 1.722 20.398 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.101 1.467 18.146 1.00 0.00 H new ATOM 0 HB3 MET A 99 -13.238 0.176 18.476 1.00 0.00 H new ATOM 0 HG2 MET A 99 -15.133 1.763 18.159 1.00 0.00 H new ATOM 0 HG3 MET A 99 -13.996 3.055 17.830 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.918 -0.550 15.070 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.766 -0.779 16.406 1.00 0.00 H new ATOM 0 HE3 MET A 99 -15.453 -0.331 16.753 1.00 0.00 H new ATOM 1517 N VAL A 100 -11.162 0.775 21.282 1.00 0.00 N ATOM 1518 CA VAL A 100 -10.445 -0.149 22.181 1.00 0.00 C ATOM 1519 C VAL A 100 -11.297 -0.562 23.395 1.00 0.00 C ATOM 1520 O VAL A 100 -11.814 0.273 24.138 1.00 0.00 O ATOM 1521 CB VAL A 100 -9.069 0.413 22.602 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -9.140 1.582 23.590 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.179 -0.695 23.175 1.00 0.00 C ATOM 0 H VAL A 100 -10.605 1.581 20.998 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.257 -1.059 21.612 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.632 0.811 21.686 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.131 1.915 23.832 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.696 2.405 23.141 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.644 1.258 24.501 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.216 -0.275 23.464 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.661 -1.133 24.049 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.026 -1.466 22.420 1.00 0.00 H new ATOM 1533 N GLY A 101 -11.472 -1.876 23.555 1.00 0.00 N ATOM 1534 CA GLY A 101 -12.278 -2.503 24.608 1.00 0.00 C ATOM 1535 C GLY A 101 -13.771 -2.657 24.284 1.00 0.00 C ATOM 1536 O GLY A 101 -14.482 -3.276 25.077 1.00 0.00 O ATOM 0 H GLY A 101 -11.041 -2.559 22.932 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.865 -3.489 24.821 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.179 -1.913 25.519 1.00 0.00 H new ATOM 1540 N GLN A 102 -14.266 -2.125 23.155 1.00 0.00 N ATOM 1541 CA GLN A 102 -15.669 -2.259 22.757 1.00 0.00 C ATOM 1542 C GLN A 102 -15.970 -3.673 22.239 1.00 0.00 C ATOM 1543 O GLN A 102 -15.073 -4.435 21.863 1.00 0.00 O ATOM 1544 CB GLN A 102 -16.100 -1.135 21.787 1.00 0.00 C ATOM 1545 CG GLN A 102 -15.800 -1.360 20.291 1.00 0.00 C ATOM 1546 CD GLN A 102 -16.908 -2.100 19.537 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -16.752 -3.230 19.102 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -18.068 -1.498 19.353 1.00 0.00 N ATOM 0 H GLN A 102 -13.701 -1.590 22.495 1.00 0.00 H new ATOM 0 HA GLN A 102 -16.288 -2.128 23.645 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -17.173 -0.981 21.900 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -15.611 -0.211 22.097 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.634 -0.394 19.815 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.872 -1.924 20.198 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.215 -0.554 19.710 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.818 -1.977 18.854 1.00 0.00 H new ATOM 1557 N LYS A 103 -17.259 -4.009 22.240 1.00 0.00 N ATOM 1558 CA LYS A 103 -17.788 -5.335 21.893 1.00 0.00 C ATOM 1559 C LYS A 103 -18.955 -5.273 20.887 1.00 0.00 C ATOM 1560 O LYS A 103 -19.666 -4.267 20.796 1.00 0.00 O ATOM 1561 CB LYS A 103 -18.227 -6.051 23.188 1.00 0.00 C ATOM 1562 CG LYS A 103 -17.055 -6.325 24.148 1.00 0.00 C ATOM 1563 CD LYS A 103 -17.540 -7.045 25.414 1.00 0.00 C ATOM 1564 CE LYS A 103 -16.383 -7.402 26.361 1.00 0.00 C ATOM 1565 NZ LYS A 103 -15.726 -6.204 26.956 1.00 0.00 N ATOM 0 H LYS A 103 -17.992 -3.346 22.490 1.00 0.00 H new ATOM 0 HA LYS A 103 -16.993 -5.894 21.400 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -18.973 -5.442 23.698 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -18.707 -6.995 22.930 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -16.302 -6.932 23.645 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -16.576 -5.385 24.421 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -18.254 -6.411 25.939 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -18.070 -7.955 25.132 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.760 -8.038 27.162 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.640 -7.983 25.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.705 -6.234 26.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.134 -5.342 26.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.879 -6.199 27.985 1.00 0.00 H new ATOM 1579 N MET A 104 -19.182 -6.381 20.168 1.00 0.00 N ATOM 1580 CA MET A 104 -20.303 -6.578 19.223 1.00 0.00 C ATOM 1581 C MET A 104 -20.815 -8.022 19.260 1.00 0.00 C ATOM 1582 O MET A 104 -20.073 -8.934 19.616 1.00 0.00 O ATOM 1583 CB MET A 104 -19.869 -6.254 17.778 1.00 0.00 C ATOM 1584 CG MET A 104 -19.498 -4.784 17.571 1.00 0.00 C ATOM 1585 SD MET A 104 -19.265 -4.299 15.842 1.00 0.00 S ATOM 1586 CE MET A 104 -17.851 -5.340 15.411 1.00 0.00 C ATOM 0 H MET A 104 -18.572 -7.196 20.227 1.00 0.00 H new ATOM 0 HA MET A 104 -21.099 -5.901 19.532 1.00 0.00 H new ATOM 0 HB2 MET A 104 -19.015 -6.877 17.515 1.00 0.00 H new ATOM 0 HB3 MET A 104 -20.678 -6.517 17.096 1.00 0.00 H new ATOM 0 HG2 MET A 104 -20.279 -4.161 18.007 1.00 0.00 H new ATOM 0 HG3 MET A 104 -18.580 -4.574 18.120 1.00 0.00 H new ATOM 0 HE1 MET A 104 -17.541 -5.127 14.388 1.00 0.00 H new ATOM 0 HE2 MET A 104 -17.025 -5.132 16.092 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.133 -6.390 15.493 1.00 0.00 H new ATOM 1596 N LYS A 105 -22.049 -8.254 18.807 1.00 0.00 N ATOM 1597 CA LYS A 105 -22.609 -9.611 18.639 1.00 0.00 C ATOM 1598 C LYS A 105 -23.532 -9.768 17.406 1.00 0.00 C ATOM 1599 O LYS A 105 -24.032 -10.860 17.132 1.00 0.00 O ATOM 1600 CB LYS A 105 -23.304 -10.003 19.960 1.00 0.00 C ATOM 1601 CG LYS A 105 -23.241 -11.517 20.209 1.00 0.00 C ATOM 1602 CD LYS A 105 -23.816 -11.880 21.585 1.00 0.00 C ATOM 1603 CE LYS A 105 -23.420 -13.322 21.924 1.00 0.00 C ATOM 1604 NZ LYS A 105 -23.857 -13.720 23.291 1.00 0.00 N ATOM 0 H LYS A 105 -22.695 -7.510 18.544 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.792 -10.300 18.427 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -22.831 -9.478 20.790 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -24.345 -9.682 19.932 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -23.797 -12.039 19.431 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -22.207 -11.856 20.144 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -23.436 -11.196 22.344 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -24.901 -11.779 21.579 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -23.860 -13.999 21.192 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -22.338 -13.428 21.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -23.399 -14.616 23.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -23.588 -12.980 23.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -24.890 -13.842 23.303 1.00 0.00 H new ATOM 1618 N TYR A 106 -23.756 -8.687 16.649 1.00 0.00 N ATOM 1619 CA TYR A 106 -24.614 -8.666 15.454 1.00 0.00 C ATOM 1620 C TYR A 106 -23.877 -9.076 14.161 1.00 0.00 C ATOM 1621 O TYR A 106 -22.663 -8.893 14.039 1.00 0.00 O ATOM 1622 CB TYR A 106 -25.291 -7.289 15.336 1.00 0.00 C ATOM 1623 CG TYR A 106 -24.375 -6.072 15.307 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -23.869 -5.587 14.086 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -24.081 -5.384 16.504 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -23.088 -4.416 14.051 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -23.291 -4.216 16.479 1.00 0.00 C ATOM 1628 CZ TYR A 106 -22.803 -3.722 15.247 1.00 0.00 C ATOM 1629 OH TYR A 106 -22.083 -2.567 15.202 1.00 0.00 O ATOM 0 H TYR A 106 -23.336 -7.780 16.854 1.00 0.00 H new ATOM 0 HA TYR A 106 -25.383 -9.428 15.580 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -25.892 -7.283 14.427 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -25.979 -7.176 16.174 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -24.081 -6.117 13.169 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.463 -5.754 17.444 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.707 -4.049 13.110 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.059 -3.700 17.399 1.00 0.00 H new ATOM 0 HH TYR A 106 -21.137 -2.764 15.367 1.00 0.00 H new ATOM 1639 N SER A 107 -24.636 -9.623 13.203 1.00 0.00 N ATOM 1640 CA SER A 107 -24.214 -10.043 11.849 1.00 0.00 C ATOM 1641 C SER A 107 -23.411 -11.366 11.819 1.00 0.00 C ATOM 1642 O SER A 107 -22.969 -11.886 12.848 1.00 0.00 O ATOM 1643 CB SER A 107 -23.438 -8.930 11.108 1.00 0.00 C ATOM 1644 OG SER A 107 -24.101 -7.672 11.141 1.00 0.00 O ATOM 0 H SER A 107 -25.629 -9.798 13.358 1.00 0.00 H new ATOM 0 HA SER A 107 -25.148 -10.232 11.320 1.00 0.00 H new ATOM 0 HB2 SER A 107 -22.449 -8.825 11.555 1.00 0.00 H new ATOM 0 HB3 SER A 107 -23.289 -9.228 10.070 1.00 0.00 H new ATOM 0 HG SER A 107 -24.291 -7.379 10.226 1.00 0.00 H new ATOM 1650 N ILE A 108 -23.203 -11.919 10.613 1.00 0.00 N ATOM 1651 CA ILE A 108 -22.295 -13.062 10.362 1.00 0.00 C ATOM 1652 C ILE A 108 -20.836 -12.591 10.524 1.00 0.00 C ATOM 1653 O ILE A 108 -20.533 -11.445 10.204 1.00 0.00 O ATOM 1654 CB ILE A 108 -22.582 -13.666 8.953 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -24.038 -14.199 8.891 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -21.590 -14.789 8.589 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -24.482 -14.692 7.507 1.00 0.00 C ATOM 0 H ILE A 108 -23.666 -11.583 9.768 1.00 0.00 H new ATOM 0 HA ILE A 108 -22.467 -13.857 11.087 1.00 0.00 H new ATOM 0 HB ILE A 108 -22.453 -12.868 8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.142 -15.017 9.604 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -24.714 -13.408 9.214 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -21.829 -15.179 7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -20.575 -14.391 8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -21.664 -15.592 9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -25.512 -15.046 7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -24.416 -13.873 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.834 -15.508 7.186 1.00 0.00 H new ATOM 1669 N VAL A 109 -19.926 -13.457 10.991 1.00 0.00 N ATOM 1670 CA VAL A 109 -18.534 -13.109 11.373 1.00 0.00 C ATOM 1671 C VAL A 109 -17.757 -12.300 10.322 1.00 0.00 C ATOM 1672 O VAL A 109 -17.004 -11.400 10.685 1.00 0.00 O ATOM 1673 CB VAL A 109 -17.741 -14.368 11.807 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -17.569 -15.410 10.688 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -16.360 -14.004 12.375 1.00 0.00 C ATOM 0 H VAL A 109 -20.135 -14.447 11.120 1.00 0.00 H new ATOM 0 HA VAL A 109 -18.637 -12.438 12.226 1.00 0.00 H new ATOM 0 HB VAL A 109 -18.351 -14.823 12.587 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -17.004 -16.262 11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.549 -15.746 10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -17.031 -14.961 9.853 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.836 -14.914 12.668 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.781 -13.480 11.615 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.483 -13.360 13.246 1.00 0.00 H new ATOM 1685 N SER A 110 -17.959 -12.558 9.028 1.00 0.00 N ATOM 1686 CA SER A 110 -17.335 -11.794 7.935 1.00 0.00 C ATOM 1687 C SER A 110 -17.808 -10.331 7.933 1.00 0.00 C ATOM 1688 O SER A 110 -16.990 -9.405 7.967 1.00 0.00 O ATOM 1689 CB SER A 110 -17.645 -12.485 6.597 1.00 0.00 C ATOM 1690 OG SER A 110 -19.036 -12.751 6.456 1.00 0.00 O ATOM 0 H SER A 110 -18.566 -13.310 8.702 1.00 0.00 H new ATOM 0 HA SER A 110 -16.255 -11.775 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.309 -11.854 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 110 -17.087 -13.419 6.531 1.00 0.00 H new ATOM 0 HG SER A 110 -19.200 -13.189 5.595 1.00 0.00 H new ATOM 1696 N ARG A 111 -19.127 -10.105 8.003 1.00 0.00 N ATOM 1697 CA ARG A 111 -19.691 -8.757 8.113 1.00 0.00 C ATOM 1698 C ARG A 111 -19.438 -8.137 9.491 1.00 0.00 C ATOM 1699 O ARG A 111 -19.235 -6.936 9.573 1.00 0.00 O ATOM 1700 CB ARG A 111 -21.185 -8.763 7.758 1.00 0.00 C ATOM 1701 CG ARG A 111 -21.704 -7.348 7.424 1.00 0.00 C ATOM 1702 CD ARG A 111 -21.358 -6.890 6.000 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.104 -7.650 4.981 1.00 0.00 N ATOM 1704 CZ ARG A 111 -21.874 -7.641 3.672 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -20.920 -6.912 3.133 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.615 -8.380 2.874 1.00 0.00 N ATOM 0 H ARG A 111 -19.827 -10.847 7.985 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.176 -8.124 7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -21.353 -9.422 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -21.755 -9.171 8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -22.786 -7.327 7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.285 -6.638 8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -21.581 -5.828 5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -20.288 -7.009 5.830 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.869 -8.238 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.328 -6.329 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.773 -6.930 2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.362 -8.957 3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.442 -8.376 1.869 1.00 0.00 H new ATOM 1720 N ASN A 112 -19.343 -8.916 10.566 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.924 -8.427 11.888 1.00 0.00 C ATOM 1722 C ASN A 112 -17.514 -7.797 11.838 1.00 0.00 C ATOM 1723 O ASN A 112 -17.303 -6.706 12.369 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.013 -9.587 12.890 1.00 0.00 C ATOM 1725 CG ASN A 112 -18.830 -9.130 14.331 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -17.722 -9.078 14.845 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.905 -8.783 15.016 1.00 0.00 N ATOM 0 H ASN A 112 -19.555 -9.914 10.549 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.592 -7.630 12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -19.981 -10.077 12.788 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.253 -10.330 12.649 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.815 -8.468 15.982 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.825 -8.830 14.579 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.581 -8.410 11.101 1.00 0.00 N ATOM 1735 CA CYS A 113 -15.246 -7.857 10.828 1.00 0.00 C ATOM 1736 C CYS A 113 -15.295 -6.615 9.907 1.00 0.00 C ATOM 1737 O CYS A 113 -14.650 -5.604 10.192 1.00 0.00 O ATOM 1738 CB CYS A 113 -14.380 -8.995 10.251 1.00 0.00 C ATOM 1739 SG CYS A 113 -14.130 -10.299 11.489 1.00 0.00 S ATOM 0 H CYS A 113 -16.734 -9.321 10.669 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.800 -7.490 11.753 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.861 -9.413 9.367 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.416 -8.599 9.932 1.00 0.00 H new ATOM 0 HG CYS A 113 -15.172 -11.076 11.517 1.00 0.00 H new ATOM 1745 N GLU A 114 -16.102 -6.646 8.841 1.00 0.00 N ATOM 1746 CA GLU A 114 -16.287 -5.492 7.944 1.00 0.00 C ATOM 1747 C GLU A 114 -16.942 -4.294 8.659 1.00 0.00 C ATOM 1748 O GLU A 114 -16.472 -3.166 8.539 1.00 0.00 O ATOM 1749 CB GLU A 114 -17.103 -5.926 6.717 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.125 -4.852 5.620 1.00 0.00 C ATOM 1751 CD GLU A 114 -17.933 -5.337 4.411 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.172 -5.152 4.399 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -17.339 -5.922 3.474 1.00 0.00 O ATOM 0 H GLU A 114 -16.645 -7.467 8.573 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.304 -5.151 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.683 -6.847 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.125 -6.149 7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.561 -3.933 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.106 -4.616 5.313 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.984 -4.512 9.463 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.610 -3.488 10.305 1.00 0.00 C ATOM 1762 C HIS A 115 -17.607 -2.903 11.315 1.00 0.00 C ATOM 1763 O HIS A 115 -17.615 -1.692 11.549 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.842 -4.072 11.029 1.00 0.00 C ATOM 1765 CG HIS A 115 -21.069 -4.294 10.168 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -22.125 -5.130 10.467 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -21.415 -3.622 9.022 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -23.073 -4.961 9.528 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.684 -4.054 8.613 1.00 0.00 N ATOM 0 H HIS A 115 -18.427 -5.427 9.550 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.938 -2.673 9.660 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -19.559 -5.024 11.477 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -20.111 -3.403 11.846 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.809 -2.883 8.519 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -24.019 -5.483 9.511 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -23.205 -3.745 7.792 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.709 -3.722 11.882 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.591 -3.256 12.706 1.00 0.00 C ATOM 1779 C PHE A 116 -14.689 -2.288 11.925 1.00 0.00 C ATOM 1780 O PHE A 116 -14.544 -1.143 12.350 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.825 -4.460 13.285 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.379 -4.183 13.652 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.082 -3.410 14.789 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.329 -4.685 12.856 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -11.745 -3.160 15.143 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -10.991 -4.430 13.212 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.699 -3.681 14.363 1.00 0.00 C ATOM 0 H PHE A 116 -16.741 -4.736 11.779 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.981 -2.686 13.549 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.349 -4.812 14.174 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -14.851 -5.272 12.558 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.883 -3.008 15.391 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.551 -5.265 11.973 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.521 -2.566 16.017 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.188 -4.811 12.599 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.672 -3.506 14.648 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.136 -2.684 10.768 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.267 -1.751 10.015 1.00 0.00 C ATOM 1799 C VAL A 117 -14.013 -0.563 9.415 1.00 0.00 C ATOM 1800 O VAL A 117 -13.392 0.480 9.236 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.355 -2.389 8.950 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.224 -3.141 9.647 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.087 -3.277 7.938 1.00 0.00 C ATOM 0 H VAL A 117 -14.263 -3.602 10.343 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.606 -1.388 10.802 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.949 -1.576 8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.574 -3.595 8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.646 -2.446 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.643 -3.919 10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.370 -3.685 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.582 -4.094 8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.831 -2.685 7.405 1.00 0.00 H new ATOM 1813 N THR A 118 -15.329 -0.660 9.173 1.00 0.00 N ATOM 1814 CA THR A 118 -16.144 0.499 8.753 1.00 0.00 C ATOM 1815 C THR A 118 -16.311 1.474 9.908 1.00 0.00 C ATOM 1816 O THR A 118 -16.129 2.661 9.693 1.00 0.00 O ATOM 1817 CB THR A 118 -17.496 0.105 8.145 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.305 -0.954 7.230 1.00 0.00 O ATOM 1819 CG2 THR A 118 -18.102 1.254 7.336 1.00 0.00 C ATOM 0 H THR A 118 -15.856 -1.529 9.260 1.00 0.00 H new ATOM 0 HA THR A 118 -15.599 0.995 7.950 1.00 0.00 H new ATOM 0 HB THR A 118 -18.153 -0.168 8.971 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.095 -1.776 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.059 0.940 6.919 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.254 2.116 7.986 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.425 1.525 6.526 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.549 1.006 11.137 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.572 1.869 12.330 1.00 0.00 C ATOM 1829 C GLN A 119 -15.206 2.526 12.621 1.00 0.00 C ATOM 1830 O GLN A 119 -15.172 3.644 13.139 1.00 0.00 O ATOM 1831 CB GLN A 119 -17.081 1.070 13.538 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.608 0.908 13.494 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.092 -0.166 14.465 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.610 0.098 15.542 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -18.924 -1.421 14.108 1.00 0.00 N ATOM 0 H GLN A 119 -16.731 0.022 11.336 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.259 2.691 12.130 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.609 0.088 13.553 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.793 1.576 14.459 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -19.082 1.859 13.738 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.917 0.649 12.481 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -18.492 -1.643 13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.225 -2.172 14.728 1.00 0.00 H new ATOM 1844 N LEU A 120 -14.087 1.896 12.226 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.759 2.522 12.260 1.00 0.00 C ATOM 1846 C LEU A 120 -12.633 3.639 11.208 1.00 0.00 C ATOM 1847 O LEU A 120 -12.367 4.785 11.568 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.668 1.445 12.089 1.00 0.00 C ATOM 1849 CG LEU A 120 -11.510 0.491 13.292 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.655 -0.714 12.879 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -10.844 1.199 14.476 1.00 0.00 C ATOM 0 H LEU A 120 -14.080 0.938 11.875 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.622 2.996 13.232 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.896 0.854 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.714 1.939 11.907 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.503 0.162 13.600 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.543 -1.388 13.728 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.142 -1.241 12.058 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.672 -0.370 12.557 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.746 0.502 15.308 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.856 1.552 14.180 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.455 2.048 14.783 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.853 3.330 9.918 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.758 4.292 8.792 1.00 0.00 C ATOM 1865 C ARG A 121 -13.998 5.190 8.613 1.00 0.00 C ATOM 1866 O ARG A 121 -14.104 5.902 7.615 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.351 3.575 7.483 1.00 0.00 C ATOM 1868 CG ARG A 121 -13.480 2.766 6.817 1.00 0.00 C ATOM 1869 CD ARG A 121 -13.012 1.970 5.594 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.838 0.763 5.381 1.00 0.00 N ATOM 1871 CZ ARG A 121 -13.435 -0.372 4.818 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -12.271 -0.477 4.213 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -14.222 -1.425 4.842 1.00 0.00 N ATOM 0 H ARG A 121 -13.107 2.389 9.617 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.962 4.987 9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.988 4.319 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -11.518 2.905 7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -13.906 2.079 7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -14.277 3.446 6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -13.057 2.603 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.970 1.680 5.725 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.808 0.805 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -11.646 0.328 4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -11.993 -1.363 3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.136 -1.368 5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -13.918 -2.299 4.412 1.00 0.00 H new ATOM 1887 N TYR A 122 -14.937 5.177 9.561 1.00 0.00 N ATOM 1888 CA TYR A 122 -16.251 5.836 9.497 1.00 0.00 C ATOM 1889 C TYR A 122 -16.141 7.360 9.259 1.00 0.00 C ATOM 1890 O TYR A 122 -17.056 7.983 8.719 1.00 0.00 O ATOM 1891 CB TYR A 122 -16.977 5.580 10.830 1.00 0.00 C ATOM 1892 CG TYR A 122 -18.492 5.593 10.747 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -19.207 6.793 10.940 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -19.195 4.393 10.506 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -20.614 6.800 10.881 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -20.601 4.394 10.446 1.00 0.00 C ATOM 1897 CZ TYR A 122 -21.316 5.598 10.632 1.00 0.00 C ATOM 1898 OH TYR A 122 -22.677 5.596 10.576 1.00 0.00 O ATOM 0 H TYR A 122 -14.798 4.682 10.442 1.00 0.00 H new ATOM 0 HA TYR A 122 -16.801 5.421 8.653 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -16.658 4.614 11.221 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -16.661 6.335 11.550 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -18.673 7.711 11.134 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -18.652 3.470 10.367 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -21.156 7.723 11.026 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -21.134 3.474 10.258 1.00 0.00 H new ATOM 0 HH TYR A 122 -22.996 4.687 10.395 1.00 0.00 H new ATOM 1908 N GLY A 123 -14.993 7.936 9.660 1.00 0.00 N ATOM 1909 CA GLY A 123 -14.661 9.372 9.679 1.00 0.00 C ATOM 1910 C GLY A 123 -15.023 10.140 8.408 1.00 0.00 C ATOM 1911 O GLY A 123 -15.571 11.238 8.486 1.00 0.00 O ATOM 0 H GLY A 123 -14.218 7.369 10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -15.172 9.836 10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.591 9.479 9.857 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.729 9.552 7.243 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.988 10.141 5.916 1.00 0.00 C ATOM 1917 C LYS A 124 -15.557 9.128 4.888 1.00 0.00 C ATOM 1918 O LYS A 124 -15.416 9.317 3.676 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.683 10.827 5.437 1.00 0.00 C ATOM 1920 CG LYS A 124 -13.394 12.198 6.076 1.00 0.00 C ATOM 1921 CD LYS A 124 -14.453 13.272 5.783 1.00 0.00 C ATOM 1922 CE LYS A 124 -13.990 14.626 6.342 1.00 0.00 C ATOM 1923 NZ LYS A 124 -14.984 15.703 6.077 1.00 0.00 N ATOM 0 H LYS A 124 -14.294 8.631 7.191 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.781 10.884 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -12.844 10.163 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.732 10.951 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -13.312 12.072 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -12.426 12.553 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -14.618 13.349 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -15.405 12.989 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -13.826 14.539 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -13.033 14.896 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -14.636 16.601 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -15.122 15.804 5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -15.890 15.458 6.525 1.00 0.00 H new ATOM 1937 N SER A 125 -16.166 8.035 5.373 1.00 0.00 N ATOM 1938 CA SER A 125 -16.727 6.939 4.553 1.00 0.00 C ATOM 1939 C SER A 125 -18.263 6.970 4.552 1.00 0.00 C ATOM 1940 O SER A 125 -18.845 7.535 3.598 1.00 0.00 O ATOM 1941 CB SER A 125 -16.201 5.582 5.016 1.00 0.00 C ATOM 1942 OG SER A 125 -14.786 5.620 5.045 1.00 0.00 O ATOM 1943 OXT SER A 125 -18.893 6.465 5.512 1.00 0.00 O ATOM 0 H SER A 125 -16.287 7.881 6.374 1.00 0.00 H new ATOM 0 HA SER A 125 -16.396 7.092 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.591 5.345 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.543 4.796 4.342 1.00 0.00 H new ATOM 0 HG SER A 125 -14.486 5.974 5.908 1.00 0.00 H new TER 1949 SER A 125