USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 78 LYS NZ :NH3+ -114:sc= 1.18 (180deg=-1.23) USER MOD Set 1.2: A 90 HEC O2D : rot 166:sc= 0.349 USER MOD Set 2.1: A 12 THR OG1 : rot -37:sc= 0.906 USER MOD Set 2.2: A 16 SER OG : rot 171:sc= -0.0681 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ -139:sc= 0.102 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.027) USER MOD Single : A 27 ASN : amide:sc= -0.479 K(o=-0.48,f=-1.5!) USER MOD Single : A 28 THR OG1 : rot -93:sc= 1.28 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.641 F(o=-3!,f=-0.64) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00576 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.021) USER MOD Single : A 53 MET CE :methyl 168:sc= -1.54 (180deg=-2.03) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -120:sc= 1.53 USER MOD Single : A 67 TYR OH : rot 100:sc= 0.933 USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00558) USER MOD Single : A 74 MET CE :methyl 179:sc= 0 (180deg=-0.00228) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HEC O2A : rot -110:sc= -0.211 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 6.772 0.959 -16.926 1.00 10.00 N ATOM 2 CA ALA A -3 7.731 0.077 -16.223 1.00 10.00 C ATOM 3 C ALA A -3 7.161 -1.346 -16.157 1.00 10.00 C ATOM 4 O ALA A -3 6.479 -1.722 -17.106 1.00 10.00 O ATOM 5 CB ALA A -3 8.113 0.656 -14.854 1.00 10.00 C ATOM 0 H1 ALA A -3 7.290 1.599 -17.561 1.00 10.00 H new ATOM 0 H2 ALA A -3 6.111 0.380 -17.482 1.00 10.00 H new ATOM 0 H3 ALA A -3 6.240 1.519 -16.229 1.00 10.00 H new ATOM 0 HA ALA A -3 8.666 0.022 -16.781 1.00 10.00 H new ATOM 0 HB1 ALA A -3 8.818 -0.012 -14.360 1.00 10.00 H new ATOM 0 HB2 ALA A -3 8.574 1.635 -14.989 1.00 10.00 H new ATOM 0 HB3 ALA A -3 7.218 0.758 -14.240 1.00 10.00 H new ATOM 13 N ASP A -2 7.353 -2.079 -15.056 1.00 10.00 N ATOM 14 CA ASP A -2 7.029 -3.497 -14.950 1.00 10.00 C ATOM 15 C ASP A -2 6.955 -3.937 -13.479 1.00 10.00 C ATOM 16 O ASP A -2 7.751 -3.487 -12.654 1.00 10.00 O ATOM 17 CB ASP A -2 7.994 -4.362 -15.771 1.00 10.00 C ATOM 18 CG ASP A -2 7.394 -5.736 -16.040 1.00 10.00 C ATOM 19 OD1 ASP A -2 6.398 -6.061 -15.356 1.00 10.00 O ATOM 20 OD2 ASP A -2 7.921 -6.416 -16.941 1.00 10.00 O ATOM 0 H ASP A -2 7.746 -1.691 -14.198 1.00 10.00 H new ATOM 0 HA ASP A -2 6.039 -3.648 -15.380 1.00 10.00 H new ATOM 0 HB2 ASP A -2 8.219 -3.867 -16.716 1.00 10.00 H new ATOM 0 HB3 ASP A -2 8.937 -4.471 -15.236 1.00 10.00 H new ATOM 25 N LEU A -1 5.915 -4.695 -13.125 1.00 10.00 N ATOM 26 CA LEU A -1 5.612 -5.113 -11.754 1.00 10.00 C ATOM 27 C LEU A -1 6.566 -6.209 -11.242 1.00 10.00 C ATOM 28 O LEU A -1 6.150 -7.233 -10.725 1.00 10.00 O ATOM 29 CB LEU A -1 4.102 -5.417 -11.609 1.00 10.00 C ATOM 30 CG LEU A -1 3.430 -6.656 -12.249 1.00 10.00 C ATOM 31 CD1 LEU A -1 4.026 -7.110 -13.581 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.291 -7.864 -11.307 1.00 10.00 C ATOM 0 H LEU A -1 5.240 -5.046 -13.805 1.00 10.00 H new ATOM 0 HA LEU A -1 5.812 -4.284 -11.075 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.898 -5.471 -10.540 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.572 -4.545 -11.991 1.00 10.00 H new ATOM 0 HG LEU A -1 2.432 -6.272 -12.459 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.484 -7.984 -13.943 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.944 -6.304 -14.310 1.00 10.00 H new ATOM 0 HD13 LEU A -1 5.076 -7.367 -13.441 1.00 10.00 H new ATOM 0 HD21 LEU A -1 2.810 -8.686 -11.838 1.00 10.00 H new ATOM 0 HD22 LEU A -1 4.279 -8.178 -10.970 1.00 10.00 H new ATOM 0 HD23 LEU A -1 2.685 -7.585 -10.445 1.00 10.00 H new ATOM 44 N GLN A 1 7.875 -5.973 -11.359 1.00 10.00 N ATOM 45 CA GLN A 1 8.911 -6.994 -11.201 1.00 10.00 C ATOM 46 C GLN A 1 9.556 -6.990 -9.803 1.00 10.00 C ATOM 47 O GLN A 1 10.247 -7.940 -9.440 1.00 10.00 O ATOM 48 CB GLN A 1 9.962 -6.792 -12.306 1.00 10.00 C ATOM 49 CG GLN A 1 10.583 -8.114 -12.792 1.00 10.00 C ATOM 50 CD GLN A 1 10.329 -8.337 -14.279 1.00 10.00 C ATOM 51 OE1 GLN A 1 10.948 -7.699 -15.121 1.00 10.00 O ATOM 52 NE2 GLN A 1 9.427 -9.243 -14.631 1.00 10.00 N ATOM 0 H GLN A 1 8.251 -5.049 -11.570 1.00 10.00 H new ATOM 0 HA GLN A 1 8.446 -7.975 -11.297 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.500 -6.282 -13.151 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.753 -6.140 -11.934 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.656 -8.104 -12.603 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.166 -8.944 -12.222 1.00 10.00 H new ATOM 0 HE21 GLN A 1 8.922 -9.764 -13.915 1.00 10.00 H new ATOM 0 HE22 GLN A 1 9.239 -9.418 -15.618 1.00 10.00 H new ATOM 61 N ASP A 2 9.402 -5.883 -9.071 1.00 10.00 N ATOM 62 CA ASP A 2 9.895 -5.640 -7.731 1.00 10.00 C ATOM 63 C ASP A 2 8.760 -4.923 -6.973 1.00 10.00 C ATOM 64 O ASP A 2 7.665 -4.733 -7.500 1.00 10.00 O ATOM 65 CB ASP A 2 11.183 -4.800 -7.867 1.00 10.00 C ATOM 66 CG ASP A 2 11.936 -4.596 -6.560 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.529 -3.663 -5.827 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.849 -5.399 -6.290 1.00 10.00 O ATOM 0 H ASP A 2 8.890 -5.080 -9.435 1.00 10.00 H new ATOM 0 HA ASP A 2 10.154 -6.540 -7.173 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.846 -5.285 -8.583 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.926 -3.825 -8.281 1.00 10.00 H new ATOM 73 N ALA A 3 9.051 -4.465 -5.764 1.00 10.00 N ATOM 74 CA ALA A 3 8.213 -3.670 -4.896 1.00 10.00 C ATOM 75 C ALA A 3 8.408 -2.173 -5.143 1.00 10.00 C ATOM 76 O ALA A 3 7.424 -1.438 -5.257 1.00 10.00 O ATOM 77 CB ALA A 3 8.634 -4.039 -3.483 1.00 10.00 C ATOM 0 H ALA A 3 9.956 -4.660 -5.335 1.00 10.00 H new ATOM 0 HA ALA A 3 7.157 -3.869 -5.076 1.00 10.00 H new ATOM 0 HB1 ALA A 3 8.039 -3.473 -2.766 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.476 -5.106 -3.323 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.689 -3.804 -3.345 1.00 10.00 H new ATOM 83 N GLU A 4 9.664 -1.715 -5.251 1.00 10.00 N ATOM 84 CA GLU A 4 9.953 -0.301 -5.477 1.00 10.00 C ATOM 85 C GLU A 4 9.220 0.201 -6.719 1.00 10.00 C ATOM 86 O GLU A 4 8.486 1.188 -6.687 1.00 10.00 O ATOM 87 CB GLU A 4 11.463 -0.057 -5.578 1.00 10.00 C ATOM 88 CG GLU A 4 11.758 1.390 -6.018 1.00 10.00 C ATOM 89 CD GLU A 4 13.100 1.892 -5.507 1.00 10.00 C ATOM 90 OE1 GLU A 4 14.109 1.611 -6.188 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.079 2.552 -4.445 1.00 10.00 O ATOM 0 H GLU A 4 10.492 -2.307 -5.185 1.00 10.00 H new ATOM 0 HA GLU A 4 9.590 0.267 -4.620 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.932 -0.251 -4.613 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.901 -0.755 -6.291 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.744 1.445 -7.106 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.966 2.045 -5.655 1.00 10.00 H new ATOM 98 N ALA A 5 9.368 -0.543 -7.813 1.00 10.00 N ATOM 99 CA ALA A 5 8.781 -0.182 -9.092 1.00 10.00 C ATOM 100 C ALA A 5 7.258 -0.321 -9.068 1.00 10.00 C ATOM 101 O ALA A 5 6.567 0.474 -9.702 1.00 10.00 O ATOM 102 CB ALA A 5 9.411 -1.013 -10.203 1.00 10.00 C ATOM 0 H ALA A 5 9.900 -1.413 -7.833 1.00 10.00 H new ATOM 0 HA ALA A 5 8.993 0.869 -9.290 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.967 -0.738 -11.160 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.484 -0.825 -10.234 1.00 10.00 H new ATOM 0 HB3 ALA A 5 9.233 -2.071 -10.011 1.00 10.00 H new ATOM 108 N ILE A 6 6.717 -1.267 -8.288 1.00 10.00 N ATOM 109 CA ILE A 6 5.268 -1.380 -8.168 1.00 10.00 C ATOM 110 C ILE A 6 4.748 -0.134 -7.454 1.00 10.00 C ATOM 111 O ILE A 6 3.895 0.555 -8.003 1.00 10.00 O ATOM 112 CB ILE A 6 4.856 -2.701 -7.468 1.00 10.00 C ATOM 113 CG1 ILE A 6 3.942 -3.544 -8.372 1.00 10.00 C ATOM 114 CG2 ILE A 6 4.134 -2.499 -6.125 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.953 -5.025 -7.977 1.00 10.00 C ATOM 0 H ILE A 6 7.250 -1.947 -7.745 1.00 10.00 H new ATOM 0 HA ILE A 6 4.810 -1.429 -9.156 1.00 10.00 H new ATOM 0 HB ILE A 6 5.798 -3.214 -7.272 1.00 10.00 H new ATOM 0 HG12 ILE A 6 2.923 -3.161 -8.316 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.264 -3.443 -9.409 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.879 -3.470 -5.699 1.00 10.00 H new ATOM 0 HG22 ILE A 6 4.787 -1.962 -5.438 1.00 10.00 H new ATOM 0 HG23 ILE A 6 3.223 -1.922 -6.285 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.294 -5.584 -8.642 1.00 10.00 H new ATOM 0 HD12 ILE A 6 4.967 -5.416 -8.059 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.606 -5.130 -6.949 1.00 10.00 H new ATOM 127 N TYR A 7 5.293 0.232 -6.288 1.00 10.00 N ATOM 128 CA TYR A 7 4.716 1.352 -5.555 1.00 10.00 C ATOM 129 C TYR A 7 4.979 2.664 -6.296 1.00 10.00 C ATOM 130 O TYR A 7 4.075 3.480 -6.447 1.00 10.00 O ATOM 131 CB TYR A 7 5.112 1.352 -4.066 1.00 10.00 C ATOM 132 CG TYR A 7 6.278 2.247 -3.702 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.106 3.645 -3.657 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.550 1.694 -3.488 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.229 4.486 -3.583 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.669 2.539 -3.390 1.00 10.00 C ATOM 137 CZ TYR A 7 8.511 3.928 -3.481 1.00 10.00 C ATOM 138 OH TYR A 7 9.608 4.732 -3.487 1.00 10.00 O ATOM 0 H TYR A 7 6.100 -0.213 -5.850 1.00 10.00 H new ATOM 0 HA TYR A 7 3.633 1.235 -5.528 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.246 1.655 -3.478 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.355 0.331 -3.772 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.113 4.069 -3.679 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.669 0.624 -3.399 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.105 5.559 -3.605 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.652 2.117 -3.244 1.00 10.00 H new ATOM 0 HH TYR A 7 10.416 4.183 -3.407 1.00 10.00 H new ATOM 148 N ASN A 8 6.191 2.830 -6.833 1.00 10.00 N ATOM 149 CA ASN A 8 6.621 4.026 -7.541 1.00 10.00 C ATOM 150 C ASN A 8 5.902 4.194 -8.892 1.00 10.00 C ATOM 151 O ASN A 8 5.784 5.306 -9.392 1.00 10.00 O ATOM 152 CB ASN A 8 8.143 3.953 -7.678 1.00 10.00 C ATOM 153 CG ASN A 8 8.783 5.246 -8.152 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.284 6.340 -7.938 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.936 5.131 -8.791 1.00 10.00 N ATOM 0 H ASN A 8 6.915 2.114 -6.783 1.00 10.00 H new ATOM 0 HA ASN A 8 6.349 4.918 -6.977 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.572 3.680 -6.714 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.397 3.156 -8.377 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.425 5.965 -9.115 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.336 4.208 -8.960 1.00 10.00 H new ATOM 162 N LYS A 9 5.399 3.108 -9.491 1.00 10.00 N ATOM 163 CA LYS A 9 4.465 3.177 -10.618 1.00 10.00 C ATOM 164 C LYS A 9 2.990 3.307 -10.185 1.00 10.00 C ATOM 165 O LYS A 9 2.192 3.861 -10.938 1.00 10.00 O ATOM 166 CB LYS A 9 4.663 1.942 -11.507 1.00 10.00 C ATOM 167 CG LYS A 9 4.014 2.096 -12.891 1.00 10.00 C ATOM 168 CD LYS A 9 4.168 0.788 -13.685 1.00 10.00 C ATOM 169 CE LYS A 9 3.000 -0.178 -13.447 1.00 10.00 C ATOM 170 NZ LYS A 9 1.841 0.144 -14.309 1.00 10.00 N ATOM 0 H LYS A 9 5.629 2.156 -9.206 1.00 10.00 H new ATOM 0 HA LYS A 9 4.690 4.086 -11.175 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.730 1.755 -11.630 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.242 1.069 -11.008 1.00 10.00 H new ATOM 0 HG2 LYS A 9 2.958 2.345 -12.782 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.481 2.919 -13.433 1.00 10.00 H new ATOM 0 HD2 LYS A 9 4.236 1.017 -14.748 1.00 10.00 H new ATOM 0 HD3 LYS A 9 5.102 0.302 -13.403 1.00 10.00 H new ATOM 0 HE2 LYS A 9 3.327 -1.199 -13.642 1.00 10.00 H new ATOM 0 HE3 LYS A 9 2.699 -0.134 -12.400 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 1.071 -0.529 -14.121 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 1.514 1.110 -14.105 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 2.122 0.078 -15.308 1.00 10.00 H new ATOM 184 N ALA A 10 2.610 2.752 -9.027 1.00 10.00 N ATOM 185 CA ALA A 10 1.213 2.509 -8.647 1.00 10.00 C ATOM 186 C ALA A 10 0.754 3.385 -7.477 1.00 10.00 C ATOM 187 O ALA A 10 -0.034 4.313 -7.645 1.00 10.00 O ATOM 188 CB ALA A 10 1.006 1.023 -8.313 1.00 10.00 C ATOM 0 H ALA A 10 3.277 2.454 -8.315 1.00 10.00 H new ATOM 0 HA ALA A 10 0.598 2.782 -9.505 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.034 0.855 -8.033 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.249 0.417 -9.185 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.655 0.743 -7.484 1.00 10.00 H new ATOM 194 N CYS A 11 1.278 3.127 -6.277 1.00 10.00 N ATOM 195 CA CYS A 11 0.977 3.844 -5.038 1.00 10.00 C ATOM 196 C CYS A 11 1.652 5.236 -5.018 1.00 10.00 C ATOM 197 O CYS A 11 2.022 5.761 -3.972 1.00 10.00 O ATOM 198 CB CYS A 11 1.389 2.994 -3.850 1.00 10.00 C ATOM 199 SG CYS A 11 1.381 1.197 -4.125 1.00 10.00 S ATOM 0 H CYS A 11 1.955 2.377 -6.137 1.00 10.00 H new ATOM 0 HA CYS A 11 -0.097 4.021 -4.978 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.392 3.292 -3.544 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.722 3.218 -3.017 1.00 10.00 H new ATOM 204 N THR A 12 1.804 5.860 -6.189 1.00 10.00 N ATOM 205 CA THR A 12 2.692 6.999 -6.414 1.00 10.00 C ATOM 206 C THR A 12 1.946 8.299 -6.687 1.00 10.00 C ATOM 207 O THR A 12 2.551 9.301 -7.067 1.00 10.00 O ATOM 208 CB THR A 12 3.643 6.670 -7.568 1.00 10.00 C ATOM 209 OG1 THR A 12 4.618 7.676 -7.653 1.00 10.00 O ATOM 210 CG2 THR A 12 2.901 6.569 -8.909 1.00 10.00 C ATOM 0 H THR A 12 1.298 5.578 -7.028 1.00 10.00 H new ATOM 0 HA THR A 12 3.254 7.165 -5.495 1.00 10.00 H new ATOM 0 HB THR A 12 4.101 5.702 -7.367 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.212 8.544 -7.447 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.612 6.334 -9.701 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.150 5.782 -8.851 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.414 7.519 -9.128 1.00 10.00 H new ATOM 218 N VAL A 13 0.628 8.271 -6.509 1.00 10.00 N ATOM 219 CA VAL A 13 -0.279 9.356 -6.852 1.00 10.00 C ATOM 220 C VAL A 13 -0.843 9.960 -5.559 1.00 10.00 C ATOM 221 O VAL A 13 -0.851 11.174 -5.367 1.00 10.00 O ATOM 222 CB VAL A 13 -1.376 8.795 -7.775 1.00 10.00 C ATOM 223 CG1 VAL A 13 -2.090 9.954 -8.468 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.819 7.852 -8.854 1.00 10.00 C ATOM 0 H VAL A 13 0.149 7.465 -6.109 1.00 10.00 H new ATOM 0 HA VAL A 13 0.232 10.157 -7.387 1.00 10.00 H new ATOM 0 HB VAL A 13 -2.060 8.221 -7.149 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.868 9.562 -9.123 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.540 10.604 -7.718 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.372 10.523 -9.058 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.637 7.487 -9.475 1.00 10.00 H new ATOM 0 HG22 VAL A 13 -0.104 8.392 -9.475 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -0.320 7.008 -8.377 1.00 10.00 H new ATOM 234 N CYS A 14 -1.266 9.078 -4.651 1.00 10.00 N ATOM 235 CA CYS A 14 -1.775 9.394 -3.328 1.00 10.00 C ATOM 236 C CYS A 14 -0.658 9.368 -2.277 1.00 10.00 C ATOM 237 O CYS A 14 -0.333 10.399 -1.692 1.00 10.00 O ATOM 238 CB CYS A 14 -2.843 8.386 -3.016 1.00 10.00 C ATOM 239 SG CYS A 14 -4.461 8.903 -3.655 1.00 10.00 S ATOM 0 H CYS A 14 -1.260 8.075 -4.835 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.184 10.404 -3.308 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.572 7.423 -3.448 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.906 8.245 -1.937 1.00 10.00 H new ATOM 244 N HIS A 15 -0.057 8.197 -2.046 1.00 10.00 N ATOM 245 CA HIS A 15 0.804 7.947 -0.889 1.00 10.00 C ATOM 246 C HIS A 15 2.169 8.649 -1.010 1.00 10.00 C ATOM 247 O HIS A 15 2.792 8.976 -0.002 1.00 10.00 O ATOM 248 CB HIS A 15 0.996 6.433 -0.735 1.00 10.00 C ATOM 249 CG HIS A 15 -0.183 5.660 -0.200 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.138 4.858 0.915 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.365 5.400 -0.846 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.277 4.154 0.949 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.070 4.443 -0.099 1.00 10.00 N ATOM 0 H HIS A 15 -0.156 7.390 -2.662 1.00 10.00 H new ATOM 0 HA HIS A 15 0.317 8.361 -0.006 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.261 6.021 -1.709 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.846 6.262 -0.074 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.623 4.808 1.592 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.696 5.853 -1.769 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.528 3.443 1.722 1.00 10.00 H new ATOM 261 N SER A 16 2.615 8.912 -2.244 1.00 10.00 N ATOM 262 CA SER A 16 3.891 9.566 -2.547 1.00 10.00 C ATOM 263 C SER A 16 4.002 10.912 -1.828 1.00 10.00 C ATOM 264 O SER A 16 4.975 11.172 -1.123 1.00 10.00 O ATOM 265 CB SER A 16 4.059 9.747 -4.068 1.00 10.00 C ATOM 266 OG SER A 16 4.932 8.754 -4.576 1.00 10.00 O ATOM 0 H SER A 16 2.084 8.669 -3.080 1.00 10.00 H new ATOM 0 HA SER A 16 4.694 8.924 -2.185 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.089 9.678 -4.561 1.00 10.00 H new ATOM 0 HB3 SER A 16 4.457 10.739 -4.284 1.00 10.00 H new ATOM 0 HG SER A 16 4.923 8.780 -5.556 1.00 10.00 H new ATOM 272 N MET A 17 2.991 11.763 -2.025 1.00 10.00 N ATOM 273 CA MET A 17 2.927 13.108 -1.462 1.00 10.00 C ATOM 274 C MET A 17 1.930 13.198 -0.292 1.00 10.00 C ATOM 275 O MET A 17 2.029 14.106 0.534 1.00 10.00 O ATOM 276 CB MET A 17 2.593 14.073 -2.608 1.00 10.00 C ATOM 277 CG MET A 17 3.061 15.505 -2.326 1.00 10.00 C ATOM 278 SD MET A 17 2.832 16.647 -3.714 1.00 10.00 S ATOM 279 CE MET A 17 4.325 17.643 -3.551 1.00 10.00 C ATOM 0 H MET A 17 2.178 11.527 -2.594 1.00 10.00 H new ATOM 0 HA MET A 17 3.888 13.382 -1.026 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.059 13.716 -3.526 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.516 14.073 -2.776 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.520 15.889 -1.461 1.00 10.00 H new ATOM 0 HG3 MET A 17 4.117 15.484 -2.058 1.00 10.00 H new ATOM 0 HE1 MET A 17 4.344 18.401 -4.334 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.334 18.129 -2.575 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.202 17.002 -3.645 1.00 10.00 H new ATOM 289 N GLY A 18 0.976 12.261 -0.208 1.00 10.00 N ATOM 290 CA GLY A 18 -0.090 12.263 0.794 1.00 10.00 C ATOM 291 C GLY A 18 -1.333 13.024 0.313 1.00 10.00 C ATOM 292 O GLY A 18 -1.824 13.919 0.997 1.00 10.00 O ATOM 0 H GLY A 18 0.926 11.468 -0.847 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.364 11.235 1.033 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.279 12.716 1.714 1.00 10.00 H new ATOM 296 N VAL A 19 -1.850 12.656 -0.864 1.00 10.00 N ATOM 297 CA VAL A 19 -3.060 13.217 -1.464 1.00 10.00 C ATOM 298 C VAL A 19 -4.261 12.329 -1.109 1.00 10.00 C ATOM 299 O VAL A 19 -4.100 11.210 -0.631 1.00 10.00 O ATOM 300 CB VAL A 19 -2.864 13.396 -2.987 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.024 14.145 -3.659 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.565 14.160 -3.278 1.00 10.00 C ATOM 0 H VAL A 19 -1.421 11.934 -1.443 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.262 14.209 -1.061 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.823 12.389 -3.402 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.827 14.238 -4.727 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.951 13.591 -3.508 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.119 15.138 -3.219 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.445 14.276 -4.355 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.609 15.143 -2.810 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.718 13.604 -2.876 1.00 10.00 H new ATOM 312 N ALA A 20 -5.480 12.852 -1.258 1.00 10.00 N ATOM 313 CA ALA A 20 -6.729 12.167 -0.912 1.00 10.00 C ATOM 314 C ALA A 20 -6.836 11.772 0.575 1.00 10.00 C ATOM 315 O ALA A 20 -7.656 10.934 0.938 1.00 10.00 O ATOM 316 CB ALA A 20 -6.949 10.967 -1.840 1.00 10.00 C ATOM 0 H ALA A 20 -5.630 13.789 -1.633 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.533 12.886 -1.066 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.880 10.466 -1.573 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.005 11.311 -2.873 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.119 10.269 -1.735 1.00 10.00 H new ATOM 322 N GLY A 21 -5.996 12.360 1.434 1.00 10.00 N ATOM 323 CA GLY A 21 -5.866 11.964 2.835 1.00 10.00 C ATOM 324 C GLY A 21 -5.145 10.620 3.015 1.00 10.00 C ATOM 325 O GLY A 21 -5.303 9.973 4.045 1.00 10.00 O ATOM 0 H GLY A 21 -5.383 13.131 1.171 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.321 12.737 3.376 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.858 11.901 3.282 1.00 10.00 H new ATOM 329 N ALA A 22 -4.348 10.200 2.026 1.00 10.00 N ATOM 330 CA ALA A 22 -3.555 8.976 2.078 1.00 10.00 C ATOM 331 C ALA A 22 -2.467 9.037 3.167 1.00 10.00 C ATOM 332 O ALA A 22 -2.070 10.130 3.580 1.00 10.00 O ATOM 333 CB ALA A 22 -2.975 8.756 0.678 1.00 10.00 C ATOM 0 H ALA A 22 -4.237 10.714 1.152 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.180 8.128 2.358 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.373 7.848 0.672 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.788 8.657 -0.041 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.351 9.607 0.405 1.00 10.00 H new ATOM 339 N PRO A 23 -1.982 7.882 3.656 1.00 10.00 N ATOM 340 CA PRO A 23 -0.982 7.837 4.707 1.00 10.00 C ATOM 341 C PRO A 23 0.382 8.260 4.169 1.00 10.00 C ATOM 342 O PRO A 23 0.605 8.337 2.960 1.00 10.00 O ATOM 343 CB PRO A 23 -0.961 6.390 5.189 1.00 10.00 C ATOM 344 CG PRO A 23 -1.360 5.595 3.954 1.00 10.00 C ATOM 345 CD PRO A 23 -2.242 6.547 3.147 1.00 10.00 C ATOM 0 HA PRO A 23 -1.216 8.523 5.521 1.00 10.00 H new ATOM 0 HB2 PRO A 23 0.027 6.102 5.549 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -1.659 6.231 6.011 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -0.485 5.286 3.382 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -1.901 4.688 4.225 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.009 6.485 2.084 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.295 6.288 3.258 1.00 10.00 H new ATOM 353 N LYS A 24 1.301 8.551 5.083 1.00 10.00 N ATOM 354 CA LYS A 24 2.616 9.055 4.714 1.00 10.00 C ATOM 355 C LYS A 24 3.529 7.933 4.201 1.00 10.00 C ATOM 356 O LYS A 24 3.749 6.943 4.901 1.00 10.00 O ATOM 357 CB LYS A 24 3.236 9.781 5.910 1.00 10.00 C ATOM 358 CG LYS A 24 3.992 11.053 5.520 1.00 10.00 C ATOM 359 CD LYS A 24 3.019 12.138 5.020 1.00 10.00 C ATOM 360 CE LYS A 24 3.212 13.443 5.802 1.00 10.00 C ATOM 361 NZ LYS A 24 2.347 14.520 5.276 1.00 10.00 N ATOM 0 H LYS A 24 1.158 8.446 6.087 1.00 10.00 H new ATOM 0 HA LYS A 24 2.503 9.762 3.892 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.449 10.037 6.619 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.919 9.104 6.423 1.00 10.00 H new ATOM 0 HG2 LYS A 24 4.550 11.427 6.378 1.00 10.00 H new ATOM 0 HG3 LYS A 24 4.720 10.824 4.741 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.182 12.318 3.957 1.00 10.00 H new ATOM 0 HD3 LYS A 24 1.992 11.791 5.130 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.986 13.275 6.855 1.00 10.00 H new ATOM 0 HE3 LYS A 24 4.256 13.752 5.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 2.501 15.389 5.826 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 2.580 14.696 4.278 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 1.350 14.234 5.353 1.00 10.00 H new ATOM 375 N SER A 25 4.089 8.139 3.000 1.00 10.00 N ATOM 376 CA SER A 25 4.986 7.233 2.265 1.00 10.00 C ATOM 377 C SER A 25 5.924 6.403 3.154 1.00 10.00 C ATOM 378 O SER A 25 6.081 5.201 2.958 1.00 10.00 O ATOM 379 CB SER A 25 5.791 8.042 1.239 1.00 10.00 C ATOM 380 OG SER A 25 6.491 7.161 0.381 1.00 10.00 O ATOM 0 H SER A 25 3.916 9.000 2.481 1.00 10.00 H new ATOM 0 HA SER A 25 4.348 6.502 1.768 1.00 10.00 H new ATOM 0 HB2 SER A 25 5.123 8.677 0.657 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.493 8.701 1.751 1.00 10.00 H new ATOM 0 HG SER A 25 7.003 7.680 -0.274 1.00 10.00 H new ATOM 386 N HIS A 26 6.505 7.041 4.174 1.00 10.00 N ATOM 387 CA HIS A 26 7.003 6.344 5.347 1.00 10.00 C ATOM 388 C HIS A 26 6.636 7.164 6.592 1.00 10.00 C ATOM 389 O HIS A 26 6.791 8.385 6.612 1.00 10.00 O ATOM 390 CB HIS A 26 8.510 6.066 5.223 1.00 10.00 C ATOM 391 CG HIS A 26 9.395 7.234 5.575 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.378 8.473 4.975 1.00 10.00 N ATOM 393 CD2 HIS A 26 10.260 7.300 6.634 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.218 9.265 5.662 1.00 10.00 C ATOM 395 NE2 HIS A 26 10.782 8.595 6.678 1.00 10.00 N ATOM 0 H HIS A 26 6.640 8.052 4.203 1.00 10.00 H new ATOM 0 HA HIS A 26 6.535 5.364 5.438 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.765 5.226 5.869 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.726 5.759 4.200 1.00 10.00 H new ATOM 0 HD2 HIS A 26 10.497 6.495 7.314 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.413 10.301 5.428 1.00 10.00 H new ATOM 0 HE2 HIS A 26 11.458 8.959 7.350 1.00 10.00 H new ATOM 403 N ASN A 27 6.109 6.497 7.614 1.00 10.00 N ATOM 404 CA ASN A 27 5.880 7.034 8.948 1.00 10.00 C ATOM 405 C ASN A 27 6.029 5.902 9.966 1.00 10.00 C ATOM 406 O ASN A 27 6.020 4.735 9.581 1.00 10.00 O ATOM 407 CB ASN A 27 4.457 7.615 9.018 1.00 10.00 C ATOM 408 CG ASN A 27 4.407 9.088 9.370 1.00 10.00 C ATOM 409 OD1 ASN A 27 5.324 9.649 9.953 1.00 10.00 O ATOM 410 ND2 ASN A 27 3.295 9.732 9.061 1.00 10.00 N ATOM 0 H ASN A 27 5.817 5.523 7.529 1.00 10.00 H new ATOM 0 HA ASN A 27 6.601 7.821 9.169 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.967 7.466 8.056 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.884 7.056 9.758 1.00 10.00 H new ATOM 0 HD21 ASN A 27 3.190 10.716 9.309 1.00 10.00 H new ATOM 0 HD22 ASN A 27 2.542 9.245 8.574 1.00 10.00 H new ATOM 417 N THR A 28 6.090 6.235 11.261 1.00 10.00 N ATOM 418 CA THR A 28 5.892 5.221 12.302 1.00 10.00 C ATOM 419 C THR A 28 4.510 5.348 12.952 1.00 10.00 C ATOM 420 O THR A 28 3.803 4.356 13.065 1.00 10.00 O ATOM 421 CB THR A 28 7.032 5.311 13.329 1.00 10.00 C ATOM 422 OG1 THR A 28 7.028 4.191 14.183 1.00 10.00 O ATOM 423 CG2 THR A 28 7.015 6.587 14.178 1.00 10.00 C ATOM 0 H THR A 28 6.271 7.177 11.607 1.00 10.00 H new ATOM 0 HA THR A 28 5.922 4.231 11.847 1.00 10.00 H new ATOM 0 HB THR A 28 7.945 5.337 12.734 1.00 10.00 H new ATOM 0 HG1 THR A 28 6.501 4.392 14.984 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.852 6.571 14.876 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.102 7.458 13.528 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.079 6.641 14.734 1.00 10.00 H new ATOM 431 N ALA A 29 3.991 6.563 13.149 1.00 10.00 N ATOM 432 CA ALA A 29 2.735 6.751 13.881 1.00 10.00 C ATOM 433 C ALA A 29 1.478 6.471 13.047 1.00 10.00 C ATOM 434 O ALA A 29 0.417 6.182 13.590 1.00 10.00 O ATOM 435 CB ALA A 29 2.702 8.170 14.430 1.00 10.00 C ATOM 0 H ALA A 29 4.418 7.427 12.814 1.00 10.00 H new ATOM 0 HA ALA A 29 2.716 6.017 14.687 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.773 8.327 14.978 1.00 10.00 H new ATOM 0 HB2 ALA A 29 3.548 8.321 15.100 1.00 10.00 H new ATOM 0 HB3 ALA A 29 2.761 8.881 13.606 1.00 10.00 H new ATOM 441 N ASP A 30 1.599 6.573 11.723 1.00 10.00 N ATOM 442 CA ASP A 30 0.529 6.330 10.762 1.00 10.00 C ATOM 443 C ASP A 30 0.419 4.813 10.492 1.00 10.00 C ATOM 444 O ASP A 30 -0.669 4.259 10.337 1.00 10.00 O ATOM 445 CB ASP A 30 0.891 7.179 9.529 1.00 10.00 C ATOM 446 CG ASP A 30 -0.235 7.559 8.589 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.424 7.348 8.925 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.149 8.096 7.529 1.00 10.00 O ATOM 0 H ASP A 30 2.478 6.837 11.277 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.461 6.622 11.111 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.362 8.098 9.879 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.641 6.635 8.954 1.00 10.00 H new ATOM 453 N TRP A 31 1.567 4.128 10.507 1.00 10.00 N ATOM 454 CA TRP A 31 1.710 2.693 10.285 1.00 10.00 C ATOM 455 C TRP A 31 1.505 1.881 11.593 1.00 10.00 C ATOM 456 O TRP A 31 0.910 0.801 11.561 1.00 10.00 O ATOM 457 CB TRP A 31 3.063 2.448 9.588 1.00 10.00 C ATOM 458 CG TRP A 31 3.271 3.110 8.237 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.450 4.435 8.041 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.320 2.531 6.889 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.595 4.727 6.704 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.525 3.587 5.947 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.202 1.228 6.357 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.563 3.377 4.564 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.164 1.015 4.965 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.300 2.092 4.075 1.00 10.00 C ATOM 0 H TRP A 31 2.462 4.585 10.683 1.00 10.00 H new ATOM 0 HA TRP A 31 0.923 2.326 9.626 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.855 2.786 10.257 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.190 1.373 9.462 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.476 5.170 8.832 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.735 5.665 6.328 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.140 0.383 7.027 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.790 4.189 3.889 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.029 0.015 4.580 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.202 1.929 3.012 1.00 10.00 H new ATOM 477 N GLU A 32 1.914 2.405 12.760 1.00 10.00 N ATOM 478 CA GLU A 32 1.684 1.808 14.086 1.00 10.00 C ATOM 479 C GLU A 32 0.258 1.259 14.300 1.00 10.00 C ATOM 480 O GLU A 32 0.106 0.068 14.578 1.00 10.00 O ATOM 481 CB GLU A 32 2.068 2.816 15.184 1.00 10.00 C ATOM 482 CG GLU A 32 3.534 2.662 15.625 1.00 10.00 C ATOM 483 CD GLU A 32 4.033 3.903 16.354 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.405 4.249 17.376 1.00 10.00 O ATOM 485 OE2 GLU A 32 5.022 4.493 15.866 1.00 10.00 O ATOM 0 H GLU A 32 2.430 3.283 12.808 1.00 10.00 H new ATOM 0 HA GLU A 32 2.329 0.931 14.146 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.905 3.830 14.818 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.415 2.679 16.046 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.629 1.793 16.277 1.00 10.00 H new ATOM 0 HG3 GLU A 32 4.160 2.476 14.752 1.00 10.00 H new ATOM 492 N PRO A 33 -0.808 2.070 14.154 1.00 10.00 N ATOM 493 CA PRO A 33 -2.180 1.611 14.352 1.00 10.00 C ATOM 494 C PRO A 33 -2.639 0.558 13.328 1.00 10.00 C ATOM 495 O PRO A 33 -3.735 0.014 13.467 1.00 10.00 O ATOM 496 CB PRO A 33 -3.044 2.880 14.314 1.00 10.00 C ATOM 497 CG PRO A 33 -2.220 3.858 13.480 1.00 10.00 C ATOM 498 CD PRO A 33 -0.788 3.493 13.857 1.00 10.00 C ATOM 0 HA PRO A 33 -2.271 1.086 15.303 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.016 2.688 13.860 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.230 3.267 15.316 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.402 3.734 12.413 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.452 4.895 13.725 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.100 3.713 13.040 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.452 4.068 14.720 1.00 10.00 H new ATOM 506 N ARG A 34 -1.823 0.250 12.313 1.00 10.00 N ATOM 507 CA ARG A 34 -2.113 -0.740 11.280 1.00 10.00 C ATOM 508 C ARG A 34 -1.330 -2.038 11.547 1.00 10.00 C ATOM 509 O ARG A 34 -1.932 -3.110 11.648 1.00 10.00 O ATOM 510 CB ARG A 34 -1.836 -0.093 9.918 1.00 10.00 C ATOM 511 CG ARG A 34 -2.763 1.104 9.667 1.00 10.00 C ATOM 512 CD ARG A 34 -4.173 0.677 9.242 1.00 10.00 C ATOM 513 NE ARG A 34 -5.194 1.589 9.782 1.00 10.00 N ATOM 514 CZ ARG A 34 -6.505 1.323 9.869 1.00 10.00 C ATOM 515 NH1 ARG A 34 -7.044 0.275 9.262 1.00 10.00 N ATOM 516 NH2 ARG A 34 -7.289 2.100 10.604 1.00 10.00 N ATOM 0 H ARG A 34 -0.916 0.699 12.188 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.160 -1.043 11.289 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.797 0.234 9.874 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.972 -0.832 9.128 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.827 1.706 10.574 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -2.330 1.738 8.893 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -4.237 0.659 8.154 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.368 -0.337 9.590 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.878 2.499 10.118 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -6.458 -0.353 8.712 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -8.045 0.096 9.345 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.894 2.898 11.102 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -8.287 1.900 10.672 1.00 10.00 H new ATOM 530 N LEU A 35 -0.028 -1.921 11.843 1.00 10.00 N ATOM 531 CA LEU A 35 0.830 -2.982 12.400 1.00 10.00 C ATOM 532 C LEU A 35 0.302 -3.608 13.709 1.00 10.00 C ATOM 533 O LEU A 35 0.898 -4.552 14.223 1.00 10.00 O ATOM 534 CB LEU A 35 2.231 -2.393 12.662 1.00 10.00 C ATOM 535 CG LEU A 35 3.145 -2.415 11.430 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.181 -1.291 11.531 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.853 -3.768 11.294 1.00 10.00 C ATOM 0 H LEU A 35 0.480 -1.049 11.695 1.00 10.00 H new ATOM 0 HA LEU A 35 0.848 -3.785 11.663 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.125 -1.365 13.008 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.707 -2.953 13.467 1.00 10.00 H new ATOM 0 HG LEU A 35 2.529 -2.262 10.544 1.00 10.00 H new ATOM 0 HD11 LEU A 35 4.827 -1.312 10.653 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.671 -0.329 11.583 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.784 -1.431 12.428 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.494 -3.756 10.413 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.459 -3.952 12.181 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.110 -4.559 11.191 1.00 10.00 H new ATOM 549 N ALA A 36 -0.802 -3.098 14.263 1.00 10.00 N ATOM 550 CA ALA A 36 -1.379 -3.530 15.520 1.00 10.00 C ATOM 551 C ALA A 36 -2.362 -4.677 15.283 1.00 10.00 C ATOM 552 O ALA A 36 -2.500 -5.557 16.127 1.00 10.00 O ATOM 553 CB ALA A 36 -2.072 -2.333 16.176 1.00 10.00 C ATOM 0 H ALA A 36 -1.331 -2.345 13.824 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.598 -3.899 16.185 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.512 -2.642 17.124 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.342 -1.543 16.355 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.856 -1.960 15.517 1.00 10.00 H new ATOM 559 N LYS A 37 -3.057 -4.665 14.135 1.00 10.00 N ATOM 560 CA LYS A 37 -3.872 -5.806 13.741 1.00 10.00 C ATOM 561 C LYS A 37 -2.973 -6.908 13.163 1.00 10.00 C ATOM 562 O LYS A 37 -3.033 -8.058 13.586 1.00 10.00 O ATOM 563 CB LYS A 37 -4.964 -5.408 12.734 1.00 10.00 C ATOM 564 CG LYS A 37 -6.168 -4.652 13.319 1.00 10.00 C ATOM 565 CD LYS A 37 -5.932 -3.137 13.449 1.00 10.00 C ATOM 566 CE LYS A 37 -5.647 -2.690 14.888 1.00 10.00 C ATOM 567 NZ LYS A 37 -6.889 -2.504 15.670 1.00 10.00 N ATOM 0 H LYS A 37 -3.067 -3.886 13.477 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.379 -6.184 14.628 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.510 -4.788 11.960 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.328 -6.312 12.245 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -7.038 -4.824 12.686 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.403 -5.062 14.301 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -5.094 -2.851 12.814 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.809 -2.606 13.078 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -5.018 -3.432 15.379 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -5.086 -1.756 14.872 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -6.649 -2.202 16.636 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -7.479 -1.778 15.217 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.413 -3.402 15.708 1.00 10.00 H new ATOM 581 N GLY A 38 -2.169 -6.551 12.157 1.00 10.00 N ATOM 582 CA GLY A 38 -1.281 -7.474 11.458 1.00 10.00 C ATOM 583 C GLY A 38 -0.750 -6.848 10.164 1.00 10.00 C ATOM 584 O GLY A 38 -0.310 -5.702 10.177 1.00 10.00 O ATOM 0 H GLY A 38 -2.119 -5.596 11.803 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.447 -7.743 12.106 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.816 -8.396 11.228 1.00 10.00 H new ATOM 588 N VAL A 39 -0.798 -7.596 9.056 1.00 10.00 N ATOM 589 CA VAL A 39 -0.204 -7.206 7.771 1.00 10.00 C ATOM 590 C VAL A 39 -1.123 -7.605 6.613 1.00 10.00 C ATOM 591 O VAL A 39 -1.613 -6.764 5.856 1.00 10.00 O ATOM 592 CB VAL A 39 1.186 -7.854 7.635 1.00 10.00 C ATOM 593 CG1 VAL A 39 1.829 -7.463 6.302 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.118 -7.429 8.780 1.00 10.00 C ATOM 0 H VAL A 39 -1.259 -8.506 9.026 1.00 10.00 H new ATOM 0 HA VAL A 39 -0.087 -6.123 7.736 1.00 10.00 H new ATOM 0 HB VAL A 39 1.046 -8.934 7.677 1.00 10.00 H new ATOM 0 HG11 VAL A 39 2.811 -7.929 6.221 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.198 -7.802 5.480 1.00 10.00 H new ATOM 0 HG13 VAL A 39 1.937 -6.379 6.254 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.091 -7.905 8.653 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.239 -6.346 8.767 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.686 -7.735 9.733 1.00 10.00 H new ATOM 604 N ASP A 40 -1.454 -8.896 6.524 1.00 10.00 N ATOM 605 CA ASP A 40 -2.262 -9.448 5.442 1.00 10.00 C ATOM 606 C ASP A 40 -3.751 -9.004 5.485 1.00 10.00 C ATOM 607 O ASP A 40 -4.593 -9.491 4.732 1.00 10.00 O ATOM 608 CB ASP A 40 -2.059 -10.973 5.441 1.00 10.00 C ATOM 609 CG ASP A 40 -0.608 -11.403 5.222 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.210 -10.556 4.800 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.325 -12.594 5.466 1.00 10.00 O ATOM 0 H ASP A 40 -1.163 -9.592 7.211 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.924 -9.042 4.488 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.408 -11.377 6.391 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.680 -11.412 4.660 1.00 10.00 H new ATOM 616 N ASN A 41 -4.070 -8.018 6.330 1.00 10.00 N ATOM 617 CA ASN A 41 -5.384 -7.435 6.556 1.00 10.00 C ATOM 618 C ASN A 41 -5.606 -6.219 5.666 1.00 10.00 C ATOM 619 O ASN A 41 -6.753 -5.820 5.471 1.00 10.00 O ATOM 620 CB ASN A 41 -5.504 -6.944 8.013 1.00 10.00 C ATOM 621 CG ASN A 41 -4.591 -7.610 9.034 1.00 10.00 C ATOM 622 OD1 ASN A 41 -4.084 -6.810 9.954 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.332 -8.804 9.018 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.359 -7.578 6.914 1.00 10.00 H new ATOM 0 HA ASN A 41 -6.119 -8.209 6.334 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.308 -5.872 8.029 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.536 -7.084 8.336 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.735 -9.404 8.298 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.713 -9.201 9.725 1.00 10.00 H new ATOM 630 N LEU A 42 -4.521 -5.604 5.186 1.00 10.00 N ATOM 631 CA LEU A 42 -4.575 -4.406 4.360 1.00 10.00 C ATOM 632 C LEU A 42 -4.248 -4.735 2.898 1.00 10.00 C ATOM 633 O LEU A 42 -4.855 -4.179 1.989 1.00 10.00 O ATOM 634 CB LEU A 42 -3.688 -3.301 4.941 1.00 10.00 C ATOM 635 CG LEU A 42 -3.693 -3.219 6.479 1.00 10.00 C ATOM 636 CD1 LEU A 42 -2.567 -4.040 7.123 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.529 -1.769 6.924 1.00 10.00 C ATOM 0 H LEU A 42 -3.572 -5.932 5.365 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.594 -4.018 4.368 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.664 -3.459 4.602 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -4.013 -2.342 4.538 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.649 -3.629 6.804 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -2.621 -3.944 8.207 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -2.677 -5.088 6.846 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -1.602 -3.671 6.774 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.534 -1.720 8.013 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -2.584 -1.377 6.547 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -4.352 -1.172 6.530 1.00 10.00 H new ATOM 649 N VAL A 43 -3.382 -5.729 2.670 1.00 10.00 N ATOM 650 CA VAL A 43 -3.099 -6.334 1.365 1.00 10.00 C ATOM 651 C VAL A 43 -4.360 -6.956 0.755 1.00 10.00 C ATOM 652 O VAL A 43 -4.484 -7.104 -0.458 1.00 10.00 O ATOM 653 CB VAL A 43 -1.967 -7.369 1.470 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.466 -8.743 1.930 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.272 -7.559 0.119 1.00 10.00 C ATOM 0 H VAL A 43 -2.837 -6.151 3.422 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.766 -5.540 0.697 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.274 -6.973 2.212 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.626 -9.435 1.987 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.928 -8.652 2.913 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.200 -9.121 1.218 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.475 -8.296 0.220 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.997 -7.907 -0.617 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.849 -6.610 -0.209 1.00 10.00 H new ATOM 665 N LYS A 44 -5.330 -7.308 1.600 1.00 10.00 N ATOM 666 CA LYS A 44 -6.653 -7.642 1.108 1.00 10.00 C ATOM 667 C LYS A 44 -7.430 -6.388 0.649 1.00 10.00 C ATOM 668 O LYS A 44 -8.054 -6.390 -0.411 1.00 10.00 O ATOM 669 CB LYS A 44 -7.371 -8.578 2.092 1.00 10.00 C ATOM 670 CG LYS A 44 -7.831 -7.880 3.370 1.00 10.00 C ATOM 671 CD LYS A 44 -9.244 -7.324 3.179 1.00 10.00 C ATOM 672 CE LYS A 44 -9.624 -6.267 4.214 1.00 10.00 C ATOM 673 NZ LYS A 44 -9.860 -6.854 5.546 1.00 10.00 N ATOM 0 H LYS A 44 -5.221 -7.367 2.612 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.575 -8.224 0.190 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.236 -9.019 1.597 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -6.702 -9.398 2.355 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -7.816 -8.582 4.204 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.144 -7.072 3.621 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -9.325 -6.891 2.182 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -9.959 -8.145 3.229 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -8.829 -5.524 4.281 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -10.522 -5.744 3.885 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -10.115 -6.101 6.217 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -10.636 -7.544 5.489 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -8.996 -7.331 5.873 1.00 10.00 H new ATOM 687 N SER A 45 -7.402 -5.299 1.432 1.00 10.00 N ATOM 688 CA SER A 45 -8.199 -4.098 1.156 1.00 10.00 C ATOM 689 C SER A 45 -7.602 -3.265 0.015 1.00 10.00 C ATOM 690 O SER A 45 -8.289 -2.516 -0.674 1.00 10.00 O ATOM 691 CB SER A 45 -8.416 -3.258 2.417 1.00 10.00 C ATOM 692 OG SER A 45 -9.719 -3.468 2.933 1.00 10.00 O ATOM 0 H SER A 45 -6.827 -5.228 2.272 1.00 10.00 H new ATOM 0 HA SER A 45 -9.180 -4.437 0.824 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.673 -3.522 3.170 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.275 -2.202 2.187 1.00 10.00 H new ATOM 0 HG SER A 45 -9.843 -2.926 3.740 1.00 10.00 H new ATOM 698 N VAL A 46 -6.304 -3.411 -0.219 1.00 10.00 N ATOM 699 CA VAL A 46 -5.637 -2.809 -1.354 1.00 10.00 C ATOM 700 C VAL A 46 -6.083 -3.466 -2.672 1.00 10.00 C ATOM 701 O VAL A 46 -6.347 -2.780 -3.662 1.00 10.00 O ATOM 702 CB VAL A 46 -4.126 -2.845 -1.081 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.519 -4.180 -1.465 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.362 -1.786 -1.840 1.00 10.00 C ATOM 0 H VAL A 46 -5.685 -3.956 0.381 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.918 -1.764 -1.481 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.037 -2.666 -0.010 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.449 -4.166 -1.257 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.991 -4.974 -0.887 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.680 -4.361 -2.528 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.301 -1.864 -1.604 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.508 -1.929 -2.911 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.726 -0.799 -1.553 1.00 10.00 H new ATOM 714 N LYS A 47 -6.233 -4.797 -2.671 1.00 10.00 N ATOM 715 CA LYS A 47 -6.624 -5.543 -3.866 1.00 10.00 C ATOM 716 C LYS A 47 -8.096 -5.297 -4.222 1.00 10.00 C ATOM 717 O LYS A 47 -8.478 -5.313 -5.387 1.00 10.00 O ATOM 718 CB LYS A 47 -6.251 -7.026 -3.716 1.00 10.00 C ATOM 719 CG LYS A 47 -7.377 -7.948 -3.215 1.00 10.00 C ATOM 720 CD LYS A 47 -6.843 -9.008 -2.247 1.00 10.00 C ATOM 721 CE LYS A 47 -6.581 -10.385 -2.869 1.00 10.00 C ATOM 722 NZ LYS A 47 -5.926 -11.296 -1.897 1.00 10.00 N ATOM 0 H LYS A 47 -6.087 -5.380 -1.847 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.060 -5.173 -4.723 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -5.907 -7.395 -4.682 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.410 -7.103 -3.027 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.143 -7.352 -2.718 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.854 -8.436 -4.065 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.915 -8.642 -1.808 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.556 -9.125 -1.431 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.522 -10.821 -3.203 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -5.950 -10.275 -3.751 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -5.761 -12.220 -2.344 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -5.017 -10.889 -1.598 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -6.541 -11.418 -1.067 1.00 10.00 H new ATOM 736 N THR A 48 -8.916 -5.054 -3.196 1.00 10.00 N ATOM 737 CA THR A 48 -10.352 -4.795 -3.312 1.00 10.00 C ATOM 738 C THR A 48 -10.668 -3.299 -3.494 1.00 10.00 C ATOM 739 O THR A 48 -11.727 -2.955 -4.011 1.00 10.00 O ATOM 740 CB THR A 48 -11.043 -5.387 -2.073 1.00 10.00 C ATOM 741 OG1 THR A 48 -12.387 -5.715 -2.266 1.00 10.00 O ATOM 742 CG2 THR A 48 -11.074 -4.419 -0.900 1.00 10.00 C ATOM 0 H THR A 48 -8.587 -5.032 -2.231 1.00 10.00 H new ATOM 0 HA THR A 48 -10.735 -5.276 -4.212 1.00 10.00 H new ATOM 0 HB THR A 48 -10.441 -6.275 -1.878 1.00 10.00 H new ATOM 0 HG1 THR A 48 -12.756 -6.086 -1.437 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.573 -4.890 -0.053 1.00 10.00 H new ATOM 0 HG22 THR A 48 -10.054 -4.155 -0.619 1.00 10.00 H new ATOM 0 HG23 THR A 48 -11.617 -3.518 -1.186 1.00 10.00 H new ATOM 750 N GLY A 49 -9.756 -2.401 -3.081 1.00 10.00 N ATOM 751 CA GLY A 49 -10.013 -0.970 -3.004 1.00 10.00 C ATOM 752 C GLY A 49 -10.682 -0.593 -1.675 1.00 10.00 C ATOM 753 O GLY A 49 -11.786 -1.041 -1.375 1.00 10.00 O ATOM 0 H GLY A 49 -8.813 -2.661 -2.791 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.075 -0.424 -3.109 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.652 -0.668 -3.834 1.00 10.00 H new ATOM 757 N LEU A 50 -10.008 0.232 -0.867 1.00 10.00 N ATOM 758 CA LEU A 50 -10.602 0.856 0.318 1.00 10.00 C ATOM 759 C LEU A 50 -11.564 1.999 -0.098 1.00 10.00 C ATOM 760 O LEU A 50 -12.125 1.975 -1.188 1.00 10.00 O ATOM 761 CB LEU A 50 -9.466 1.308 1.250 1.00 10.00 C ATOM 762 CG LEU A 50 -9.913 1.495 2.717 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.543 0.266 3.555 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.289 2.765 3.307 1.00 10.00 C ATOM 0 H LEU A 50 -9.032 0.486 -1.018 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.217 0.146 0.871 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.662 0.573 1.214 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.055 2.248 0.881 1.00 10.00 H new ATOM 0 HG LEU A 50 -10.997 1.604 2.738 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -9.866 0.417 4.585 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.036 -0.615 3.146 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.463 0.121 3.531 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.613 2.883 4.341 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.202 2.686 3.274 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.607 3.631 2.726 1.00 10.00 H new ATOM 776 N ASN A 51 -11.777 3.025 0.737 1.00 10.00 N ATOM 777 CA ASN A 51 -12.742 4.098 0.450 1.00 10.00 C ATOM 778 C ASN A 51 -12.326 4.914 -0.758 1.00 10.00 C ATOM 779 O ASN A 51 -12.990 4.966 -1.787 1.00 10.00 O ATOM 780 CB ASN A 51 -12.874 5.022 1.679 1.00 10.00 C ATOM 781 CG ASN A 51 -13.285 4.176 2.854 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.546 3.996 3.812 1.00 10.00 O ATOM 783 ND2 ASN A 51 -14.336 3.421 2.621 1.00 10.00 N ATOM 0 H ASN A 51 -11.289 3.136 1.626 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.703 3.634 0.229 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -11.928 5.523 1.883 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -13.614 5.801 1.493 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -14.561 2.651 3.251 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -14.927 3.605 1.810 1.00 10.00 H new ATOM 790 N ALA A 52 -11.189 5.566 -0.582 1.00 10.00 N ATOM 791 CA ALA A 52 -10.613 6.492 -1.527 1.00 10.00 C ATOM 792 C ALA A 52 -9.485 5.790 -2.293 1.00 10.00 C ATOM 793 O ALA A 52 -8.399 6.339 -2.477 1.00 10.00 O ATOM 794 CB ALA A 52 -10.193 7.690 -0.683 1.00 10.00 C ATOM 0 H ALA A 52 -10.623 5.456 0.260 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.288 6.838 -2.310 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.743 8.447 -1.325 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.068 8.109 -0.186 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.468 7.371 0.066 1.00 10.00 H new ATOM 800 N MET A 53 -9.763 4.547 -2.713 1.00 10.00 N ATOM 801 CA MET A 53 -8.822 3.680 -3.415 1.00 10.00 C ATOM 802 C MET A 53 -9.523 2.840 -4.493 1.00 10.00 C ATOM 803 O MET A 53 -10.573 2.262 -4.218 1.00 10.00 O ATOM 804 CB MET A 53 -8.140 2.767 -2.385 1.00 10.00 C ATOM 805 CG MET A 53 -6.641 3.037 -2.327 1.00 10.00 C ATOM 806 SD MET A 53 -5.891 2.506 -0.781 1.00 10.00 S ATOM 807 CE MET A 53 -5.828 0.733 -1.030 1.00 10.00 C ATOM 0 H MET A 53 -10.674 4.111 -2.567 1.00 10.00 H new ATOM 0 HA MET A 53 -8.081 4.297 -3.922 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.581 2.929 -1.401 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.316 1.723 -2.645 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.153 2.525 -3.156 1.00 10.00 H new ATOM 0 HG3 MET A 53 -6.464 4.104 -2.463 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.201 0.280 -0.262 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.835 0.321 -0.967 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.409 0.518 -2.013 1.00 10.00 H new ATOM 817 N PRO A 54 -8.958 2.738 -5.708 1.00 10.00 N ATOM 818 CA PRO A 54 -9.522 1.894 -6.748 1.00 10.00 C ATOM 819 C PRO A 54 -9.243 0.413 -6.440 1.00 10.00 C ATOM 820 O PRO A 54 -8.300 0.097 -5.712 1.00 10.00 O ATOM 821 CB PRO A 54 -8.847 2.361 -8.041 1.00 10.00 C ATOM 822 CG PRO A 54 -7.471 2.831 -7.571 1.00 10.00 C ATOM 823 CD PRO A 54 -7.723 3.364 -6.159 1.00 10.00 C ATOM 0 HA PRO A 54 -10.606 1.977 -6.825 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.769 1.553 -8.768 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -9.406 3.166 -8.518 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.750 2.013 -7.566 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -7.069 3.606 -8.224 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.895 3.116 -5.495 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.815 4.450 -6.163 1.00 10.00 H new ATOM 831 N PRO A 55 -10.056 -0.508 -6.979 1.00 10.00 N ATOM 832 CA PRO A 55 -9.881 -1.934 -6.763 1.00 10.00 C ATOM 833 C PRO A 55 -8.585 -2.412 -7.421 1.00 10.00 C ATOM 834 O PRO A 55 -8.411 -2.248 -8.628 1.00 10.00 O ATOM 835 CB PRO A 55 -11.141 -2.588 -7.345 1.00 10.00 C ATOM 836 CG PRO A 55 -11.596 -1.604 -8.422 1.00 10.00 C ATOM 837 CD PRO A 55 -11.189 -0.245 -7.854 1.00 10.00 C ATOM 0 HA PRO A 55 -9.777 -2.201 -5.711 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.924 -3.570 -7.766 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.907 -2.730 -6.583 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.111 -1.802 -9.378 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.671 -1.663 -8.592 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.916 0.447 -8.651 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -12.011 0.212 -7.303 1.00 10.00 H new ATOM 845 N GLY A 56 -7.654 -2.975 -6.637 1.00 10.00 N ATOM 846 CA GLY A 56 -6.380 -3.445 -7.167 1.00 10.00 C ATOM 847 C GLY A 56 -5.263 -2.402 -7.069 1.00 10.00 C ATOM 848 O GLY A 56 -4.379 -2.351 -7.927 1.00 10.00 O ATOM 0 H GLY A 56 -7.766 -3.113 -5.633 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.078 -4.342 -6.627 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.511 -3.730 -8.211 1.00 10.00 H new ATOM 852 N GLY A 57 -5.275 -1.599 -5.999 1.00 10.00 N ATOM 853 CA GLY A 57 -4.217 -0.652 -5.663 1.00 10.00 C ATOM 854 C GLY A 57 -3.915 0.375 -6.762 1.00 10.00 C ATOM 855 O GLY A 57 -4.419 1.496 -6.720 1.00 10.00 O ATOM 0 H GLY A 57 -6.043 -1.593 -5.328 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.497 -0.121 -4.753 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.306 -1.207 -5.441 1.00 10.00 H new ATOM 859 N MET A 58 -3.071 -0.024 -7.721 1.00 10.00 N ATOM 860 CA MET A 58 -2.844 0.617 -9.016 1.00 10.00 C ATOM 861 C MET A 58 -1.883 -0.198 -9.917 1.00 10.00 C ATOM 862 O MET A 58 -1.037 0.351 -10.626 1.00 10.00 O ATOM 863 CB MET A 58 -2.398 2.072 -8.792 1.00 10.00 C ATOM 864 CG MET A 58 -3.434 3.035 -9.362 1.00 10.00 C ATOM 865 SD MET A 58 -3.467 3.086 -11.172 1.00 10.00 S ATOM 866 CE MET A 58 -4.802 4.263 -11.429 1.00 10.00 C ATOM 0 H MET A 58 -2.493 -0.856 -7.603 1.00 10.00 H new ATOM 0 HA MET A 58 -3.781 0.640 -9.573 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.265 2.259 -7.726 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.432 2.241 -9.269 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.421 2.749 -8.998 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.232 4.037 -8.983 1.00 10.00 H new ATOM 0 HE1 MET A 58 -4.956 4.411 -12.498 1.00 10.00 H new ATOM 0 HE2 MET A 58 -5.718 3.878 -10.981 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.543 5.214 -10.964 1.00 10.00 H new ATOM 876 N CYS A 59 -2.003 -1.529 -9.896 1.00 10.00 N ATOM 877 CA CYS A 59 -1.125 -2.460 -10.616 1.00 10.00 C ATOM 878 C CYS A 59 -1.936 -3.403 -11.515 1.00 10.00 C ATOM 879 O CYS A 59 -3.081 -3.722 -11.212 1.00 10.00 O ATOM 880 CB CYS A 59 -0.204 -3.201 -9.629 1.00 10.00 C ATOM 881 SG CYS A 59 -0.871 -3.520 -7.976 1.00 10.00 S ATOM 0 H CYS A 59 -2.733 -2.003 -9.364 1.00 10.00 H new ATOM 0 HA CYS A 59 -0.477 -1.894 -11.285 1.00 10.00 H new ATOM 0 HB2 CYS A 59 0.073 -4.157 -10.074 1.00 10.00 H new ATOM 0 HB3 CYS A 59 0.713 -2.622 -9.520 1.00 10.00 H new ATOM 886 N THR A 60 -1.360 -3.810 -12.654 1.00 10.00 N ATOM 887 CA THR A 60 -2.085 -4.589 -13.666 1.00 10.00 C ATOM 888 C THR A 60 -2.356 -6.024 -13.203 1.00 10.00 C ATOM 889 O THR A 60 -3.494 -6.488 -13.232 1.00 10.00 O ATOM 890 CB THR A 60 -1.372 -4.523 -15.031 1.00 10.00 C ATOM 891 OG1 THR A 60 -2.227 -5.034 -16.027 1.00 10.00 O ATOM 892 CG2 THR A 60 -0.048 -5.291 -15.112 1.00 10.00 C ATOM 0 H THR A 60 -0.390 -3.611 -12.898 1.00 10.00 H new ATOM 0 HA THR A 60 -3.065 -4.132 -13.799 1.00 10.00 H new ATOM 0 HB THR A 60 -1.133 -3.470 -15.177 1.00 10.00 H new ATOM 0 HG1 THR A 60 -1.778 -4.992 -16.897 1.00 10.00 H new ATOM 0 HG21 THR A 60 0.375 -5.183 -16.111 1.00 10.00 H new ATOM 0 HG22 THR A 60 0.650 -4.891 -14.377 1.00 10.00 H new ATOM 0 HG23 THR A 60 -0.226 -6.346 -14.906 1.00 10.00 H new ATOM 900 N ASP A 61 -1.306 -6.695 -12.726 1.00 10.00 N ATOM 901 CA ASP A 61 -1.355 -8.027 -12.147 1.00 10.00 C ATOM 902 C ASP A 61 -0.760 -7.965 -10.733 1.00 10.00 C ATOM 903 O ASP A 61 0.400 -8.295 -10.506 1.00 10.00 O ATOM 904 CB ASP A 61 -0.604 -8.977 -13.091 1.00 10.00 C ATOM 905 CG ASP A 61 -0.756 -10.437 -12.694 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.337 -10.689 -11.615 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.311 -11.278 -13.502 1.00 10.00 O ATOM 0 H ASP A 61 -0.364 -6.305 -12.736 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.372 -8.405 -12.044 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -0.973 -8.840 -14.107 1.00 10.00 H new ATOM 0 HB3 ASP A 61 0.454 -8.715 -13.098 1.00 10.00 H new ATOM 912 N CYS A 62 -1.521 -7.437 -9.775 1.00 10.00 N ATOM 913 CA CYS A 62 -1.031 -7.333 -8.403 1.00 10.00 C ATOM 914 C CYS A 62 -0.968 -8.714 -7.729 1.00 10.00 C ATOM 915 O CYS A 62 -1.931 -9.152 -7.098 1.00 10.00 O ATOM 916 CB CYS A 62 -1.922 -6.404 -7.587 1.00 10.00 C ATOM 917 SG CYS A 62 -2.483 -4.839 -8.279 1.00 10.00 S ATOM 0 H CYS A 62 -2.465 -7.080 -9.921 1.00 10.00 H new ATOM 0 HA CYS A 62 -0.023 -6.921 -8.442 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -2.811 -6.971 -7.310 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -1.389 -6.176 -6.664 1.00 10.00 H new ATOM 922 N THR A 63 0.167 -9.403 -7.819 1.00 10.00 N ATOM 923 CA THR A 63 0.345 -10.711 -7.207 1.00 10.00 C ATOM 924 C THR A 63 0.605 -10.516 -5.712 1.00 10.00 C ATOM 925 O THR A 63 1.196 -9.511 -5.336 1.00 10.00 O ATOM 926 CB THR A 63 1.569 -11.370 -7.849 1.00 10.00 C ATOM 927 OG1 THR A 63 2.714 -10.706 -7.353 1.00 10.00 O ATOM 928 CG2 THR A 63 1.531 -11.343 -9.379 1.00 10.00 C ATOM 0 H THR A 63 0.989 -9.067 -8.320 1.00 10.00 H new ATOM 0 HA THR A 63 -0.539 -11.333 -7.350 1.00 10.00 H new ATOM 0 HB THR A 63 1.585 -12.427 -7.585 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.211 -10.309 -8.099 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.425 -11.825 -9.774 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.647 -11.875 -9.730 1.00 10.00 H new ATOM 0 HG23 THR A 63 1.493 -10.310 -9.724 1.00 10.00 H new ATOM 936 N ASP A 64 0.214 -11.443 -4.833 1.00 10.00 N ATOM 937 CA ASP A 64 0.583 -11.354 -3.423 1.00 10.00 C ATOM 938 C ASP A 64 2.113 -11.332 -3.224 1.00 10.00 C ATOM 939 O ASP A 64 2.606 -10.596 -2.366 1.00 10.00 O ATOM 940 CB ASP A 64 -0.116 -12.484 -2.659 1.00 10.00 C ATOM 941 CG ASP A 64 -1.479 -12.066 -2.106 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.507 -11.050 -1.380 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.476 -12.766 -2.391 1.00 10.00 O ATOM 0 H ASP A 64 -0.353 -12.256 -5.073 1.00 10.00 H new ATOM 0 HA ASP A 64 0.240 -10.404 -3.013 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.244 -13.340 -3.321 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.521 -12.810 -1.837 1.00 10.00 H new ATOM 948 N GLU A 65 2.864 -12.098 -4.033 1.00 10.00 N ATOM 949 CA GLU A 65 4.325 -12.073 -4.013 1.00 10.00 C ATOM 950 C GLU A 65 4.869 -10.638 -4.131 1.00 10.00 C ATOM 951 O GLU A 65 5.691 -10.239 -3.303 1.00 10.00 O ATOM 952 CB GLU A 65 4.943 -13.084 -5.004 1.00 10.00 C ATOM 953 CG GLU A 65 4.659 -12.836 -6.494 1.00 10.00 C ATOM 954 CD GLU A 65 5.296 -13.860 -7.434 1.00 10.00 C ATOM 955 OE1 GLU A 65 5.943 -14.797 -6.918 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.092 -13.707 -8.657 1.00 10.00 O ATOM 0 H GLU A 65 2.471 -12.747 -4.714 1.00 10.00 H new ATOM 0 HA GLU A 65 4.654 -12.422 -3.034 1.00 10.00 H new ATOM 0 HB2 GLU A 65 6.023 -13.090 -4.858 1.00 10.00 H new ATOM 0 HB3 GLU A 65 4.581 -14.080 -4.748 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.580 -12.837 -6.652 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.019 -11.842 -6.760 1.00 10.00 H new ATOM 963 N ASP A 66 4.355 -9.826 -5.068 1.00 10.00 N ATOM 964 CA ASP A 66 4.789 -8.438 -5.165 1.00 10.00 C ATOM 965 C ASP A 66 4.051 -7.515 -4.174 1.00 10.00 C ATOM 966 O ASP A 66 4.662 -6.629 -3.579 1.00 10.00 O ATOM 967 CB ASP A 66 4.672 -7.964 -6.612 1.00 10.00 C ATOM 968 CG ASP A 66 5.382 -8.882 -7.593 1.00 10.00 C ATOM 969 OD1 ASP A 66 6.614 -9.017 -7.443 1.00 10.00 O ATOM 970 OD2 ASP A 66 4.662 -9.430 -8.458 1.00 10.00 O ATOM 0 H ASP A 66 3.653 -10.106 -5.753 1.00 10.00 H new ATOM 0 HA ASP A 66 5.837 -8.385 -4.872 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.618 -7.896 -6.883 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.088 -6.960 -6.695 1.00 10.00 H new ATOM 975 N TYR A 67 2.742 -7.702 -3.957 1.00 10.00 N ATOM 976 CA TYR A 67 1.946 -6.857 -3.066 1.00 10.00 C ATOM 977 C TYR A 67 2.537 -6.813 -1.659 1.00 10.00 C ATOM 978 O TYR A 67 2.654 -5.749 -1.055 1.00 10.00 O ATOM 979 CB TYR A 67 0.502 -7.384 -2.976 1.00 10.00 C ATOM 980 CG TYR A 67 -0.610 -6.523 -3.535 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.547 -5.117 -3.483 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.766 -7.150 -4.037 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.538 -4.355 -4.118 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.802 -6.377 -4.584 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.645 -4.988 -4.697 1.00 10.00 C ATOM 986 OH TYR A 67 -3.594 -4.242 -5.314 1.00 10.00 O ATOM 0 H TYR A 67 2.206 -8.449 -4.399 1.00 10.00 H new ATOM 0 HA TYR A 67 1.954 -5.851 -3.485 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.466 -8.346 -3.487 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.281 -7.572 -1.925 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.260 -4.629 -2.957 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.856 -8.226 -4.001 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.448 -3.280 -4.161 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.715 -6.849 -4.916 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.454 -4.271 -6.284 1.00 10.00 H new ATOM 996 N LYS A 68 2.899 -7.983 -1.131 1.00 10.00 N ATOM 997 CA LYS A 68 3.427 -8.118 0.217 1.00 10.00 C ATOM 998 C LYS A 68 4.810 -7.467 0.276 1.00 10.00 C ATOM 999 O LYS A 68 5.046 -6.645 1.154 1.00 10.00 O ATOM 1000 CB LYS A 68 3.387 -9.592 0.659 1.00 10.00 C ATOM 1001 CG LYS A 68 1.914 -10.031 0.792 1.00 10.00 C ATOM 1002 CD LYS A 68 1.670 -11.548 0.759 1.00 10.00 C ATOM 1003 CE LYS A 68 1.603 -12.210 2.141 1.00 10.00 C ATOM 1004 NZ LYS A 68 2.909 -12.231 2.823 1.00 10.00 N ATOM 0 H LYS A 68 2.831 -8.867 -1.635 1.00 10.00 H new ATOM 0 HA LYS A 68 2.807 -7.589 0.941 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.903 -10.218 -0.068 1.00 10.00 H new ATOM 0 HB3 LYS A 68 3.905 -9.715 1.610 1.00 10.00 H new ATOM 0 HG2 LYS A 68 1.519 -9.637 1.729 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.342 -9.571 -0.014 1.00 10.00 H new ATOM 0 HD2 LYS A 68 0.736 -11.742 0.231 1.00 10.00 H new ATOM 0 HD3 LYS A 68 2.466 -12.019 0.182 1.00 10.00 H new ATOM 0 HE2 LYS A 68 0.882 -11.677 2.761 1.00 10.00 H new ATOM 0 HE3 LYS A 68 1.237 -13.231 2.033 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 2.816 -12.719 3.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 3.601 -12.733 2.232 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 3.233 -11.256 2.983 1.00 10.00 H new ATOM 1018 N ALA A 69 5.677 -7.733 -0.707 1.00 10.00 N ATOM 1019 CA ALA A 69 6.930 -6.999 -0.884 1.00 10.00 C ATOM 1020 C ALA A 69 6.721 -5.469 -0.936 1.00 10.00 C ATOM 1021 O ALA A 69 7.502 -4.694 -0.393 1.00 10.00 O ATOM 1022 CB ALA A 69 7.634 -7.511 -2.142 1.00 10.00 C ATOM 0 H ALA A 69 5.527 -8.465 -1.402 1.00 10.00 H new ATOM 0 HA ALA A 69 7.560 -7.181 -0.013 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.569 -6.969 -2.282 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.844 -8.575 -2.034 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.991 -7.354 -3.008 1.00 10.00 H new ATOM 1028 N ALA A 70 5.651 -5.010 -1.586 1.00 10.00 N ATOM 1029 CA ALA A 70 5.397 -3.587 -1.803 1.00 10.00 C ATOM 1030 C ALA A 70 4.797 -2.880 -0.587 1.00 10.00 C ATOM 1031 O ALA A 70 5.184 -1.761 -0.274 1.00 10.00 O ATOM 1032 CB ALA A 70 4.562 -3.405 -3.063 1.00 10.00 C ATOM 0 H ALA A 70 4.933 -5.619 -1.978 1.00 10.00 H new ATOM 0 HA ALA A 70 6.359 -3.096 -1.949 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.373 -2.344 -3.224 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.101 -3.812 -3.919 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.613 -3.929 -2.950 1.00 10.00 H new ATOM 1038 N ILE A 71 3.881 -3.530 0.125 1.00 10.00 N ATOM 1039 CA ILE A 71 3.381 -3.032 1.406 1.00 10.00 C ATOM 1040 C ILE A 71 4.472 -3.140 2.489 1.00 10.00 C ATOM 1041 O ILE A 71 4.631 -2.232 3.309 1.00 10.00 O ATOM 1042 CB ILE A 71 2.036 -3.724 1.720 1.00 10.00 C ATOM 1043 CG1 ILE A 71 0.947 -2.955 0.950 1.00 10.00 C ATOM 1044 CG2 ILE A 71 1.691 -3.750 3.213 1.00 10.00 C ATOM 1045 CD1 ILE A 71 -0.342 -3.748 0.741 1.00 10.00 C ATOM 0 H ILE A 71 3.464 -4.414 -0.167 1.00 10.00 H new ATOM 0 HA ILE A 71 3.158 -1.966 1.369 1.00 10.00 H new ATOM 0 HB ILE A 71 2.105 -4.768 1.416 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.714 -2.037 1.490 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.343 -2.661 -0.022 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.734 -4.251 3.357 1.00 10.00 H new ATOM 0 HG22 ILE A 71 2.467 -4.288 3.757 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.626 -2.729 3.589 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -1.059 -3.138 0.191 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -0.125 -4.653 0.173 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.763 -4.019 1.709 1.00 10.00 H new ATOM 1057 N GLU A 72 5.265 -4.218 2.472 1.00 10.00 N ATOM 1058 CA GLU A 72 6.379 -4.398 3.401 1.00 10.00 C ATOM 1059 C GLU A 72 7.555 -3.444 3.164 1.00 10.00 C ATOM 1060 O GLU A 72 8.157 -2.999 4.141 1.00 10.00 O ATOM 1061 CB GLU A 72 6.740 -5.880 3.595 1.00 10.00 C ATOM 1062 CG GLU A 72 7.788 -6.417 2.614 1.00 10.00 C ATOM 1063 CD GLU A 72 9.209 -6.325 3.156 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.454 -6.983 4.193 1.00 10.00 O ATOM 1065 OE2 GLU A 72 10.009 -5.603 2.528 1.00 10.00 O ATOM 0 H GLU A 72 5.150 -4.988 1.813 1.00 10.00 H new ATOM 0 HA GLU A 72 6.025 -4.076 4.380 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.108 -6.020 4.611 1.00 10.00 H new ATOM 0 HB3 GLU A 72 5.833 -6.477 3.499 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.560 -7.457 2.380 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.724 -5.859 1.680 1.00 10.00 H new ATOM 1072 N PHE A 73 7.804 -3.045 1.907 1.00 10.00 N ATOM 1073 CA PHE A 73 8.804 -2.042 1.535 1.00 10.00 C ATOM 1074 C PHE A 73 8.805 -0.844 2.491 1.00 10.00 C ATOM 1075 O PHE A 73 9.858 -0.393 2.938 1.00 10.00 O ATOM 1076 CB PHE A 73 8.534 -1.577 0.096 1.00 10.00 C ATOM 1077 CG PHE A 73 9.566 -0.621 -0.473 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.520 0.753 -0.167 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.599 -1.117 -1.289 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.513 1.621 -0.652 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.593 -0.250 -1.773 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.545 1.121 -1.467 1.00 10.00 C ATOM 0 H PHE A 73 7.301 -3.423 1.104 1.00 10.00 H new ATOM 0 HA PHE A 73 9.790 -2.501 1.603 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.479 -2.454 -0.549 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.557 -1.095 0.063 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.718 1.141 0.443 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.628 -2.166 -1.544 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.484 2.671 -0.399 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.396 -0.638 -2.382 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.299 1.789 -1.857 1.00 10.00 H new ATOM 1092 N MET A 74 7.611 -0.318 2.787 1.00 10.00 N ATOM 1093 CA MET A 74 7.449 0.826 3.666 1.00 10.00 C ATOM 1094 C MET A 74 7.481 0.435 5.153 1.00 10.00 C ATOM 1095 O MET A 74 8.434 0.748 5.862 1.00 10.00 O ATOM 1096 CB MET A 74 6.148 1.551 3.319 1.00 10.00 C ATOM 1097 CG MET A 74 6.163 2.255 1.953 1.00 10.00 C ATOM 1098 SD MET A 74 5.882 1.243 0.476 1.00 10.00 S ATOM 1099 CE MET A 74 4.075 1.181 0.388 1.00 10.00 C ATOM 0 H MET A 74 6.732 -0.681 2.418 1.00 10.00 H new ATOM 0 HA MET A 74 8.295 1.495 3.508 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.329 0.832 3.335 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.939 2.289 4.093 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.405 3.038 1.972 1.00 10.00 H new ATOM 0 HG3 MET A 74 7.128 2.749 1.842 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.773 0.604 -0.486 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.683 0.708 1.288 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.680 2.194 0.308 1.00 10.00 H new ATOM 1109 N SER A 75 6.410 -0.201 5.647 1.00 10.00 N ATOM 1110 CA SER A 75 6.319 -0.658 7.039 1.00 10.00 C ATOM 1111 C SER A 75 5.251 -1.749 7.220 1.00 10.00 C ATOM 1112 O SER A 75 4.584 -1.823 8.248 1.00 10.00 O ATOM 1113 CB SER A 75 6.097 0.538 7.987 1.00 10.00 C ATOM 1114 OG SER A 75 6.844 0.368 9.178 1.00 10.00 O ATOM 0 H SER A 75 5.581 -0.413 5.091 1.00 10.00 H new ATOM 0 HA SER A 75 7.270 -1.120 7.303 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.394 1.463 7.492 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.037 0.630 8.225 1.00 10.00 H new ATOM 0 HG SER A 75 6.695 1.135 9.770 1.00 10.00 H new ATOM 1120 N LYS A 76 5.072 -2.599 6.204 1.00 10.00 N ATOM 1121 CA LYS A 76 4.102 -3.697 6.163 1.00 10.00 C ATOM 1122 C LYS A 76 2.716 -3.332 6.717 1.00 10.00 C ATOM 1123 O LYS A 76 2.129 -4.089 7.488 1.00 10.00 O ATOM 1124 CB LYS A 76 4.723 -5.006 6.694 1.00 10.00 C ATOM 1125 CG LYS A 76 5.091 -5.017 8.179 1.00 10.00 C ATOM 1126 CD LYS A 76 5.916 -6.254 8.574 1.00 10.00 C ATOM 1127 CE LYS A 76 7.299 -6.259 7.899 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.210 -7.260 8.492 1.00 10.00 N ATOM 0 H LYS A 76 5.625 -2.537 5.349 1.00 10.00 H new ATOM 0 HA LYS A 76 3.870 -3.895 5.116 1.00 10.00 H new ATOM 0 HB2 LYS A 76 4.022 -5.820 6.507 1.00 10.00 H new ATOM 0 HB3 LYS A 76 5.622 -5.220 6.115 1.00 10.00 H new ATOM 0 HG2 LYS A 76 5.657 -4.116 8.416 1.00 10.00 H new ATOM 0 HG3 LYS A 76 4.179 -4.987 8.776 1.00 10.00 H new ATOM 0 HD2 LYS A 76 6.040 -6.277 9.657 1.00 10.00 H new ATOM 0 HD3 LYS A 76 5.373 -7.157 8.296 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.181 -6.464 6.835 1.00 10.00 H new ATOM 0 HE3 LYS A 76 7.746 -5.269 7.985 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 9.128 -7.226 8.005 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.346 -7.051 9.502 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 7.798 -8.209 8.388 1.00 10.00 H new ATOM 1142 N ALA A 77 2.183 -2.176 6.295 1.00 10.00 N ATOM 1143 CA ALA A 77 0.881 -1.698 6.763 1.00 10.00 C ATOM 1144 C ALA A 77 0.112 -0.819 5.759 1.00 10.00 C ATOM 1145 O ALA A 77 -0.600 -1.386 4.937 1.00 10.00 O ATOM 1146 CB ALA A 77 1.027 -1.109 8.170 1.00 10.00 C ATOM 0 H ALA A 77 2.639 -1.555 5.627 1.00 10.00 H new ATOM 0 HA ALA A 77 0.216 -2.559 6.836 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.057 -0.753 8.518 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.397 -1.877 8.849 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.731 -0.277 8.145 1.00 10.00 H new ATOM 1152 N LYS A 78 0.239 0.518 5.795 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.523 1.442 4.940 1.00 10.00 C ATOM 1154 C LYS A 78 0.279 2.581 4.295 1.00 10.00 C ATOM 1155 O LYS A 78 0.316 2.636 3.044 1.00 10.00 O ATOM 1156 CB LYS A 78 -1.759 1.973 5.681 1.00 10.00 C ATOM 1157 CG LYS A 78 -1.579 3.107 6.698 1.00 10.00 C ATOM 1158 CD LYS A 78 -2.937 3.716 7.094 1.00 10.00 C ATOM 1159 CE LYS A 78 -2.689 4.769 8.180 1.00 10.00 C ATOM 1160 NZ LYS A 78 -3.410 6.037 7.945 1.00 10.00 N ATOM 1161 OXT LYS A 78 0.794 3.422 5.057 1.00 10.00 O ATOM 0 H LYS A 78 0.883 0.993 6.428 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.834 0.835 4.090 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -2.473 2.312 4.931 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -2.218 1.133 6.201 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -1.074 2.727 7.586 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -0.939 3.881 6.275 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -3.418 4.169 6.227 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -3.609 2.941 7.462 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -2.990 4.362 9.145 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -1.620 4.973 8.240 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -2.724 6.797 7.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -4.038 5.932 7.123 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -3.976 6.275 8.784 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.726 3.448 -0.567 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.184 3.719 2.614 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.063 0.622 0.439 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.558 3.036 -3.791 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.244 6.460 -1.455 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.702 2.322 1.178 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.410 2.593 2.316 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.197 1.487 3.219 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.292 0.642 2.612 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.972 1.193 1.326 1.00 10.00 C HETATM 1186 CMA HEC A 90 -2.778 -0.673 3.122 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.725 1.382 4.630 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.131 0.813 4.772 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.471 0.683 6.248 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.365 1.710 6.948 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.759 -0.446 6.698 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.511 2.086 -1.501 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.875 1.071 -0.860 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.924 0.495 -1.776 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.124 1.102 -3.000 1.00 10.00 C HETATM 1196 C4B HEC A 90 -2.118 2.142 -2.806 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.150 -0.514 -1.405 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.376 0.772 -4.278 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.489 -0.710 -4.652 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.896 4.543 -2.332 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.378 4.149 -3.531 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.805 5.116 -4.521 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.535 6.094 -3.858 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.579 5.721 -2.458 1.00 10.00 C HETATM 1205 CMC HEC A 90 -3.530 5.021 -6.009 1.00 10.00 C HETATM 1206 CAC HEC A 90 -5.139 7.383 -4.413 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.115 7.599 -5.931 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.885 4.924 0.460 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.371 6.049 -0.119 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.130 6.751 0.890 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.152 5.961 2.024 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.354 4.793 1.734 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.790 8.092 0.699 1.00 10.00 C HETATM 1214 CAD HEC A 90 -6.933 6.173 3.308 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.040 6.523 4.515 1.00 10.00 C HETATM 1216 CGD HEC A 90 -6.546 6.016 5.862 1.00 10.00 C HETATM 1217 O1D HEC A 90 -7.755 5.720 5.954 1.00 10.00 O HETATM 1218 O2D HEC A 90 -5.697 5.926 6.778 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.035 8.836 0.446 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.520 8.027 -0.108 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.293 8.384 1.621 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -2.454 5.006 -6.180 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.973 4.106 -6.403 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.966 5.882 -6.515 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.815 -0.080 -0.658 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.318 -1.410 -0.997 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.725 -0.777 -2.293 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.276 -0.521 4.077 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -3.612 -1.362 3.256 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.073 -1.091 2.404 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.044 6.115 4.341 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -5.935 7.607 4.568 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.083 7.598 -6.282 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.666 6.797 -6.421 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.579 8.556 -6.170 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.073 -1.320 -3.850 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.538 -0.969 -4.798 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.063 -0.896 -5.573 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.851 1.464 4.277 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.193 -0.160 4.285 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.657 6.974 3.157 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.499 5.269 3.534 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.042 0.760 5.208 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.709 2.375 5.079 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.689 7.414 -1.738 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.246 2.858 -4.820 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.467 -0.223 0.784 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.681 3.762 3.583 1.00 10.00 H new HETATM 0 H2D HEC A 90 -6.154 5.820 7.638 1.00 10.00 H new HETATM 0 H2A HEC A 90 -7.712 -0.475 6.924 1.00 10.00 H new