USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 743 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 103 ASN : amide:sc= -0.463 K(o=-0.49,f=-1.7!) USER MOD Set 1.2: A 104 TYR OH : rot -164:sc= -0.0276 USER MOD Set 2.1: A 43 GLN : amide:sc= -0.176 K(o=0.41,f=1.5) USER MOD Set 2.2: A 86 HIS : no HE2:sc= 0.588 K(o=0.41,f=-3.3!) USER MOD Set 2.3: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 40 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.8!) USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0.0401 USER MOD Set 4.1: A 20 CYS SG : rot -82:sc= -2.11! USER MOD Set 4.2: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 12 CYS SG : rot -46:sc= -3.48 USER MOD Set 5.2: A 50 CYS SG : rot 130:sc= -3.55! USER MOD Set 6.1: A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 6.2: A 14 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 1 ALA N :NH3+ -155:sc= 0 (180deg=-0.766) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.584 K(o=-0.58,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ 132:sc= 0.0854 (180deg=-0.824) USER MOD Single : A 19 SER OG : rot 74:sc= 0.0905 USER MOD Single : A 21 ASN : amide:sc= 1.14 K(o=1.1,f=-0.14) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 163:sc= -0.787 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -157:sc= 1.06 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 1.07 (180deg=1.02) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : A 45 THR OG1 : rot 40:sc= 0.95 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 170:sc= -3.25! USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.04) USER MOD Single : A 59 SER OG : rot 95:sc= 1.33 USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= -0.286 (180deg=-1.07) USER MOD Single : A 61 SER OG : rot 32:sc= 0.128 USER MOD Single : A 65 CYS SG : rot 76:sc= 1.08! USER MOD Single : A 69 CYS SG : rot -65:sc= 1.11 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 177:sc= 0 (180deg=-0.0147) USER MOD Single : A 73 THR OG1 : rot 158:sc= 0.196 USER MOD Single : A 74 SER OG : rot 40:sc= 0.467 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0133 USER MOD Single : A 78 SER OG : rot 23:sc= 0.153 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00112 USER MOD Single : A 83 SER OG : rot -163:sc= 1.24 USER MOD Single : A 84 THR OG1 : rot 88:sc= 1.35 USER MOD Single : A 85 SER OG : rot 111:sc= -4.31! USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -3.76! C(o=-3.8!,f=-5.7!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.490 11.984 -6.495 1.00 0.54 N ATOM 2 CA ALA A 1 -2.316 10.768 -6.339 1.00 0.39 C ATOM 3 C ALA A 1 -3.798 11.079 -6.474 1.00 0.35 C ATOM 4 O ALA A 1 -4.284 12.084 -5.961 1.00 0.37 O ATOM 5 CB ALA A 1 -2.047 10.120 -5.002 1.00 0.28 C ATOM 0 H1 ALA A 1 -0.538 11.718 -6.818 1.00 0.54 H new ATOM 0 H2 ALA A 1 -1.930 12.615 -7.195 1.00 0.54 H new ATOM 0 H3 ALA A 1 -1.421 12.476 -5.581 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.041 10.078 -7.137 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.662 9.226 -4.901 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -0.994 9.846 -4.936 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.290 10.820 -4.203 1.00 0.28 H new ATOM 13 N PRO A 2 -4.524 10.211 -7.190 1.00 0.34 N ATOM 14 CA PRO A 2 -5.971 10.316 -7.383 1.00 0.34 C ATOM 15 C PRO A 2 -6.763 9.873 -6.167 1.00 0.28 C ATOM 16 O PRO A 2 -7.854 10.381 -5.907 1.00 0.28 O ATOM 17 CB PRO A 2 -6.246 9.358 -8.541 1.00 0.39 C ATOM 18 CG PRO A 2 -4.902 9.047 -9.105 1.00 0.45 C ATOM 19 CD PRO A 2 -3.992 9.072 -7.927 1.00 0.39 C ATOM 0 HA PRO A 2 -6.270 11.348 -7.566 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -6.749 8.455 -8.196 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -6.892 9.817 -9.289 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -4.892 8.073 -9.594 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -4.605 9.782 -9.853 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.039 8.149 -7.350 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -2.950 9.216 -8.213 1.00 0.39 H new ATOM 27 N THR A 3 -6.221 8.910 -5.432 1.00 0.27 N ATOM 28 CA THR A 3 -6.910 8.370 -4.276 1.00 0.24 C ATOM 29 C THR A 3 -5.969 8.264 -3.082 1.00 0.19 C ATOM 30 O THR A 3 -4.753 8.374 -3.250 1.00 0.19 O ATOM 31 CB THR A 3 -7.520 6.995 -4.581 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.482 6.074 -4.956 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.550 7.104 -5.701 1.00 0.37 C ATOM 0 H THR A 3 -5.310 8.491 -5.618 1.00 0.27 H new ATOM 0 HA THR A 3 -7.718 9.059 -4.029 1.00 0.24 H new ATOM 0 HB THR A 3 -8.020 6.627 -3.685 1.00 0.31 H new ATOM 0 HG1 THR A 3 -6.876 5.197 -5.148 1.00 0.34 H new ATOM 0 HG21 THR A 3 -8.972 6.120 -5.904 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.346 7.785 -5.399 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.069 7.485 -6.602 1.00 0.37 H new ATOM 41 N LEU A 4 -6.513 8.060 -1.888 1.00 0.16 N ATOM 42 CA LEU A 4 -5.703 8.107 -0.674 1.00 0.15 C ATOM 43 C LEU A 4 -4.623 7.021 -0.665 1.00 0.18 C ATOM 44 O LEU A 4 -3.486 7.262 -0.259 1.00 0.24 O ATOM 45 CB LEU A 4 -6.583 8.016 0.579 1.00 0.13 C ATOM 46 CG LEU A 4 -5.814 7.991 1.898 1.00 0.12 C ATOM 47 CD1 LEU A 4 -5.159 9.334 2.132 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.728 7.638 3.058 1.00 0.15 C ATOM 0 H LEU A 4 -7.502 7.862 -1.733 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.194 9.071 -0.664 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.267 8.865 0.589 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -7.194 7.116 0.513 1.00 0.13 H new ATOM 0 HG LEU A 4 -5.044 7.222 1.835 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.611 9.312 3.074 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.469 9.550 1.316 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.924 10.109 2.175 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -6.153 7.628 3.984 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.524 8.379 3.133 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -7.164 6.653 2.891 1.00 0.15 H new ATOM 60 N GLN A 5 -4.968 5.835 -1.141 1.00 0.17 N ATOM 61 CA GLN A 5 -4.009 4.745 -1.203 1.00 0.22 C ATOM 62 C GLN A 5 -2.913 5.047 -2.221 1.00 0.22 C ATOM 63 O GLN A 5 -1.764 4.654 -2.039 1.00 0.25 O ATOM 64 CB GLN A 5 -4.724 3.444 -1.538 1.00 0.29 C ATOM 65 CG GLN A 5 -3.843 2.211 -1.430 1.00 0.55 C ATOM 66 CD GLN A 5 -3.091 1.901 -2.710 1.00 0.67 C ATOM 67 OE1 GLN A 5 -3.571 2.178 -3.809 1.00 1.58 O ATOM 68 NE2 GLN A 5 -1.913 1.317 -2.579 1.00 0.73 N ATOM 0 H GLN A 5 -5.899 5.604 -1.488 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.534 4.637 -0.228 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.578 3.328 -0.870 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -5.119 3.509 -2.552 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -3.127 2.354 -0.621 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -4.460 1.354 -1.162 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.550 1.104 -1.650 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -1.367 1.079 -3.407 1.00 0.73 H new ATOM 77 N GLU A 6 -3.255 5.766 -3.282 1.00 0.23 N ATOM 78 CA GLU A 6 -2.254 6.163 -4.261 1.00 0.24 C ATOM 79 C GLU A 6 -1.344 7.221 -3.654 1.00 0.23 C ATOM 80 O GLU A 6 -0.197 7.377 -4.062 1.00 0.24 O ATOM 81 CB GLU A 6 -2.896 6.699 -5.533 1.00 0.30 C ATOM 82 CG GLU A 6 -1.907 6.878 -6.671 1.00 0.34 C ATOM 83 CD GLU A 6 -1.395 5.572 -7.221 1.00 0.95 C ATOM 84 OE1 GLU A 6 -2.211 4.644 -7.394 1.00 1.11 O ATOM 85 OE2 GLU A 6 -0.176 5.451 -7.443 1.00 1.70 O ATOM 0 H GLU A 6 -4.203 6.082 -3.485 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.672 5.282 -4.530 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.685 6.017 -5.850 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.370 7.657 -5.318 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -2.384 7.441 -7.473 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -1.064 7.473 -6.321 1.00 0.34 H new ATOM 92 N ALA A 7 -1.871 7.953 -2.674 1.00 0.22 N ATOM 93 CA ALA A 7 -1.078 8.923 -1.936 1.00 0.22 C ATOM 94 C ALA A 7 -0.039 8.188 -1.121 1.00 0.19 C ATOM 95 O ALA A 7 1.047 8.699 -0.847 1.00 0.19 O ATOM 96 CB ALA A 7 -1.970 9.769 -1.047 1.00 0.24 C ATOM 0 H ALA A 7 -2.844 7.890 -2.376 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.576 9.595 -2.632 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.361 10.490 -0.501 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.698 10.300 -1.661 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.493 9.126 -0.339 1.00 0.24 H new ATOM 102 N LEU A 8 -0.380 6.970 -0.754 1.00 0.17 N ATOM 103 CA LEU A 8 0.557 6.084 -0.113 1.00 0.15 C ATOM 104 C LEU A 8 1.617 5.640 -1.094 1.00 0.15 C ATOM 105 O LEU A 8 2.800 5.713 -0.806 1.00 0.16 O ATOM 106 CB LEU A 8 -0.139 4.869 0.430 1.00 0.15 C ATOM 107 CG LEU A 8 -1.055 5.107 1.602 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.336 3.793 2.282 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.444 6.088 2.571 1.00 0.12 C ATOM 0 H LEU A 8 -1.309 6.572 -0.892 1.00 0.17 H new ATOM 0 HA LEU A 8 1.020 6.631 0.709 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.719 4.416 -0.374 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.617 4.142 0.726 1.00 0.15 H new ATOM 0 HG LEU A 8 -1.991 5.537 1.244 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -1.999 3.957 3.132 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.813 3.113 1.576 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.400 3.356 2.631 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.124 6.244 3.409 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.502 5.693 2.940 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.268 7.037 2.065 1.00 0.12 H new ATOM 121 N ASP A 9 1.173 5.172 -2.256 1.00 0.15 N ATOM 122 CA ASP A 9 2.066 4.802 -3.347 1.00 0.15 C ATOM 123 C ASP A 9 2.974 5.978 -3.703 1.00 0.15 C ATOM 124 O ASP A 9 4.091 5.807 -4.184 1.00 0.15 O ATOM 125 CB ASP A 9 1.253 4.382 -4.581 1.00 0.20 C ATOM 126 CG ASP A 9 0.574 3.032 -4.413 1.00 0.97 C ATOM 127 OD1 ASP A 9 0.622 2.471 -3.297 1.00 1.34 O ATOM 128 OD2 ASP A 9 -0.013 2.528 -5.390 1.00 1.61 O ATOM 0 H ASP A 9 0.184 5.039 -2.467 1.00 0.15 H new ATOM 0 HA ASP A 9 2.680 3.961 -3.024 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.497 5.140 -4.786 1.00 0.20 H new ATOM 0 HB3 ASP A 9 1.912 4.346 -5.448 1.00 0.20 H new ATOM 133 N ARG A 10 2.466 7.177 -3.452 1.00 0.17 N ATOM 134 CA ARG A 10 3.186 8.414 -3.672 1.00 0.20 C ATOM 135 C ARG A 10 4.232 8.622 -2.577 1.00 0.19 C ATOM 136 O ARG A 10 5.351 9.057 -2.846 1.00 0.24 O ATOM 137 CB ARG A 10 2.147 9.531 -3.683 1.00 0.25 C ATOM 138 CG ARG A 10 2.643 10.890 -4.091 1.00 0.67 C ATOM 139 CD ARG A 10 1.465 11.758 -4.478 1.00 0.64 C ATOM 140 NE ARG A 10 1.884 13.065 -4.974 1.00 1.02 N ATOM 141 CZ ARG A 10 1.294 14.219 -4.655 1.00 1.80 C ATOM 142 NH1 ARG A 10 0.259 14.248 -3.822 1.00 2.60 N ATOM 143 NH2 ARG A 10 1.757 15.352 -5.160 1.00 2.10 N ATOM 0 H ARG A 10 1.525 7.315 -3.083 1.00 0.17 H new ATOM 0 HA ARG A 10 3.728 8.399 -4.617 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.341 9.243 -4.357 1.00 0.25 H new ATOM 0 HB3 ARG A 10 1.716 9.608 -2.685 1.00 0.25 H new ATOM 0 HG2 ARG A 10 3.194 11.350 -3.271 1.00 0.67 H new ATOM 0 HG3 ARG A 10 3.334 10.801 -4.929 1.00 0.67 H new ATOM 0 HD2 ARG A 10 0.878 11.251 -5.244 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.814 11.891 -3.614 1.00 0.64 H new ATOM 0 HE ARG A 10 2.682 13.099 -5.608 1.00 1.02 H new ATOM 0 HH11 ARG A 10 -0.094 13.381 -3.417 1.00 2.60 H new ATOM 0 HH12 ARG A 10 -0.182 15.137 -3.587 1.00 2.60 H new ATOM 0 HH21 ARG A 10 2.560 15.340 -5.789 1.00 2.10 H new ATOM 0 HH22 ARG A 10 1.311 16.237 -4.920 1.00 2.10 H new ATOM 157 N LYS A 11 3.866 8.275 -1.347 1.00 0.18 N ATOM 158 CA LYS A 11 4.798 8.270 -0.233 1.00 0.21 C ATOM 159 C LYS A 11 5.860 7.216 -0.507 1.00 0.18 C ATOM 160 O LYS A 11 7.060 7.443 -0.360 1.00 0.18 O ATOM 161 CB LYS A 11 4.059 7.943 1.053 1.00 0.26 C ATOM 162 CG LYS A 11 4.950 7.934 2.278 1.00 0.42 C ATOM 163 CD LYS A 11 5.719 9.229 2.440 1.00 0.52 C ATOM 164 CE LYS A 11 4.786 10.389 2.646 1.00 0.59 C ATOM 165 NZ LYS A 11 5.468 11.574 3.225 1.00 0.99 N ATOM 0 H LYS A 11 2.918 7.991 -1.099 1.00 0.18 H new ATOM 0 HA LYS A 11 5.264 9.250 -0.124 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.261 8.671 1.199 1.00 0.26 H new ATOM 0 HB3 LYS A 11 3.585 6.967 0.952 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.341 7.762 3.166 1.00 0.42 H new ATOM 0 HG3 LYS A 11 5.652 7.103 2.207 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.398 9.149 3.289 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.333 9.404 1.556 1.00 0.52 H new ATOM 0 HE2 LYS A 11 4.337 10.663 1.691 1.00 0.59 H new ATOM 0 HE3 LYS A 11 3.973 10.084 3.305 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 4.788 12.356 3.315 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 5.845 11.333 4.164 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 6.249 11.864 2.602 1.00 0.99 H new ATOM 179 N CYS A 12 5.366 6.065 -0.935 1.00 0.16 N ATOM 180 CA CYS A 12 6.175 4.936 -1.353 1.00 0.14 C ATOM 181 C CYS A 12 7.167 5.309 -2.440 1.00 0.14 C ATOM 182 O CYS A 12 8.302 4.838 -2.442 1.00 0.14 O ATOM 183 CB CYS A 12 5.248 3.826 -1.836 1.00 0.13 C ATOM 184 SG CYS A 12 4.300 3.064 -0.508 1.00 0.15 S ATOM 0 H CYS A 12 4.364 5.888 -1.002 1.00 0.16 H new ATOM 0 HA CYS A 12 6.762 4.597 -0.500 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.560 4.233 -2.577 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.840 3.060 -2.337 1.00 0.13 H new ATOM 0 HG CYS A 12 5.087 2.806 0.494 1.00 0.15 H new ATOM 190 N ALA A 13 6.741 6.163 -3.352 1.00 0.17 N ATOM 191 CA ALA A 13 7.586 6.579 -4.456 1.00 0.20 C ATOM 192 C ALA A 13 8.684 7.511 -3.955 1.00 0.21 C ATOM 193 O ALA A 13 9.776 7.574 -4.520 1.00 0.28 O ATOM 194 CB ALA A 13 6.744 7.264 -5.520 1.00 0.25 C ATOM 0 H ALA A 13 5.812 6.583 -3.350 1.00 0.17 H new ATOM 0 HA ALA A 13 8.057 5.701 -4.897 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.384 7.574 -6.346 1.00 0.25 H new ATOM 0 HB2 ALA A 13 5.987 6.571 -5.887 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.256 8.139 -5.090 1.00 0.25 H new ATOM 200 N GLN A 14 8.384 8.212 -2.873 1.00 0.20 N ATOM 201 CA GLN A 14 9.314 9.157 -2.274 1.00 0.23 C ATOM 202 C GLN A 14 10.416 8.446 -1.508 1.00 0.26 C ATOM 203 O GLN A 14 11.502 8.983 -1.330 1.00 0.43 O ATOM 204 CB GLN A 14 8.561 10.090 -1.348 1.00 0.24 C ATOM 205 CG GLN A 14 7.664 11.048 -2.105 1.00 0.26 C ATOM 206 CD GLN A 14 6.967 12.059 -1.215 1.00 0.32 C ATOM 207 OE1 GLN A 14 6.667 13.172 -1.640 1.00 0.87 O ATOM 208 NE2 GLN A 14 6.706 11.683 0.024 1.00 1.07 N ATOM 0 H GLN A 14 7.491 8.142 -2.386 1.00 0.20 H new ATOM 0 HA GLN A 14 9.782 9.729 -3.076 1.00 0.23 H new ATOM 0 HB2 GLN A 14 7.959 9.503 -0.654 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.273 10.658 -0.750 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.259 11.580 -2.848 1.00 0.26 H new ATOM 0 HG3 GLN A 14 6.912 10.476 -2.649 1.00 0.26 H new ATOM 0 HE21 GLN A 14 6.971 10.750 0.340 1.00 1.07 H new ATOM 0 HE22 GLN A 14 6.240 12.326 0.664 1.00 1.07 H new ATOM 217 N PHE A 15 10.118 7.251 -1.035 1.00 0.20 N ATOM 218 CA PHE A 15 11.107 6.436 -0.342 1.00 0.20 C ATOM 219 C PHE A 15 11.739 5.435 -1.294 1.00 0.19 C ATOM 220 O PHE A 15 12.954 5.421 -1.487 1.00 0.24 O ATOM 221 CB PHE A 15 10.474 5.654 0.805 1.00 0.21 C ATOM 222 CG PHE A 15 9.841 6.483 1.876 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.599 7.400 2.568 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.493 6.370 2.170 1.00 0.18 C ATOM 225 CE1 PHE A 15 10.039 8.186 3.536 1.00 0.42 C ATOM 226 CE2 PHE A 15 7.922 7.161 3.143 1.00 0.24 C ATOM 227 CZ PHE A 15 8.643 7.960 3.879 1.00 0.33 C ATOM 0 H PHE A 15 9.198 6.819 -1.116 1.00 0.20 H new ATOM 0 HA PHE A 15 11.862 7.118 0.049 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.718 4.986 0.393 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.240 5.026 1.260 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.651 7.500 2.343 1.00 0.36 H new ATOM 0 HD2 PHE A 15 7.885 5.657 1.633 1.00 0.18 H new ATOM 0 HE1 PHE A 15 10.616 8.953 4.032 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.854 7.118 3.299 1.00 0.24 H new ATOM 0 HZ PHE A 15 8.207 8.451 4.737 1.00 0.33 H new ATOM 237 N GLY A 16 10.888 4.595 -1.878 1.00 0.15 N ATOM 238 CA GLY A 16 11.334 3.530 -2.748 1.00 0.15 C ATOM 239 C GLY A 16 12.234 4.021 -3.843 1.00 0.15 C ATOM 240 O GLY A 16 13.409 3.678 -3.903 1.00 0.18 O ATOM 0 H GLY A 16 9.876 4.640 -1.757 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.861 2.780 -2.158 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.467 3.038 -3.188 1.00 0.15 H new ATOM 244 N LYS A 17 11.693 4.852 -4.701 1.00 0.18 N ATOM 245 CA LYS A 17 12.428 5.299 -5.851 1.00 0.23 C ATOM 246 C LYS A 17 13.523 6.270 -5.438 1.00 0.28 C ATOM 247 O LYS A 17 14.442 6.534 -6.198 1.00 0.34 O ATOM 248 CB LYS A 17 11.493 5.940 -6.848 1.00 0.28 C ATOM 249 CG LYS A 17 10.194 5.178 -7.044 1.00 0.28 C ATOM 250 CD LYS A 17 10.407 3.779 -7.604 1.00 0.27 C ATOM 251 CE LYS A 17 9.098 3.195 -8.102 1.00 0.90 C ATOM 252 NZ LYS A 17 8.486 4.030 -9.173 1.00 1.24 N ATOM 0 H LYS A 17 10.749 5.229 -4.622 1.00 0.18 H new ATOM 0 HA LYS A 17 12.899 4.437 -6.323 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.263 6.953 -6.518 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.002 6.025 -7.808 1.00 0.28 H new ATOM 0 HG2 LYS A 17 9.673 5.106 -6.089 1.00 0.28 H new ATOM 0 HG3 LYS A 17 9.547 5.739 -7.719 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.129 3.815 -8.420 1.00 0.27 H new ATOM 0 HD3 LYS A 17 10.829 3.134 -6.833 1.00 0.27 H new ATOM 0 HE2 LYS A 17 9.271 2.188 -8.482 1.00 0.90 H new ATOM 0 HE3 LYS A 17 8.401 3.106 -7.269 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 8.204 3.422 -9.968 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 7.649 4.518 -8.796 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 9.178 4.733 -9.503 1.00 1.24 H new ATOM 266 N GLU A 18 13.419 6.806 -4.232 1.00 0.27 N ATOM 267 CA GLU A 18 14.523 7.557 -3.647 1.00 0.34 C ATOM 268 C GLU A 18 15.727 6.642 -3.476 1.00 0.35 C ATOM 269 O GLU A 18 16.847 6.998 -3.837 1.00 0.43 O ATOM 270 CB GLU A 18 14.127 8.158 -2.305 1.00 0.36 C ATOM 271 CG GLU A 18 15.306 8.676 -1.497 1.00 0.53 C ATOM 272 CD GLU A 18 14.895 9.263 -0.165 1.00 1.01 C ATOM 273 OE1 GLU A 18 14.525 10.457 -0.122 1.00 1.47 O ATOM 274 OE2 GLU A 18 14.927 8.526 0.844 1.00 1.55 O ATOM 0 H GLU A 18 12.590 6.737 -3.642 1.00 0.27 H new ATOM 0 HA GLU A 18 14.780 8.376 -4.319 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.427 8.976 -2.475 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.600 7.404 -1.720 1.00 0.36 H new ATOM 0 HG2 GLU A 18 16.010 7.861 -1.327 1.00 0.53 H new ATOM 0 HG3 GLU A 18 15.831 9.435 -2.076 1.00 0.53 H new ATOM 281 N SER A 19 15.484 5.455 -2.936 1.00 0.30 N ATOM 282 CA SER A 19 16.510 4.429 -2.856 1.00 0.32 C ATOM 283 C SER A 19 17.008 4.098 -4.255 1.00 0.33 C ATOM 284 O SER A 19 18.208 3.960 -4.486 1.00 0.40 O ATOM 285 CB SER A 19 15.957 3.183 -2.178 1.00 0.29 C ATOM 286 OG SER A 19 15.415 3.480 -0.901 1.00 0.30 O ATOM 0 H SER A 19 14.582 5.180 -2.546 1.00 0.30 H new ATOM 0 HA SER A 19 17.344 4.800 -2.261 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.186 2.738 -2.807 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.750 2.442 -2.074 1.00 0.29 H new ATOM 0 HG SER A 19 14.559 3.945 -1.009 1.00 0.30 H new ATOM 292 N CYS A 20 16.070 3.997 -5.188 1.00 0.30 N ATOM 293 CA CYS A 20 16.384 3.778 -6.592 1.00 0.33 C ATOM 294 C CYS A 20 17.298 4.884 -7.124 1.00 0.39 C ATOM 295 O CYS A 20 18.253 4.615 -7.854 1.00 0.43 O ATOM 296 CB CYS A 20 15.082 3.706 -7.396 1.00 0.32 C ATOM 297 SG CYS A 20 15.084 4.639 -8.944 1.00 1.08 S ATOM 0 H CYS A 20 15.071 4.065 -4.992 1.00 0.30 H new ATOM 0 HA CYS A 20 16.919 2.834 -6.697 1.00 0.33 H new ATOM 0 HB2 CYS A 20 14.869 2.661 -7.620 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.267 4.071 -6.771 1.00 0.32 H new ATOM 0 HG CYS A 20 14.830 5.890 -8.697 1.00 1.08 H new ATOM 303 N ASN A 21 17.008 6.119 -6.734 1.00 0.44 N ATOM 304 CA ASN A 21 17.820 7.266 -7.121 1.00 0.52 C ATOM 305 C ASN A 21 19.193 7.197 -6.464 1.00 0.58 C ATOM 306 O ASN A 21 20.201 7.568 -7.063 1.00 0.69 O ATOM 307 CB ASN A 21 17.118 8.570 -6.740 1.00 0.55 C ATOM 308 CG ASN A 21 16.188 9.074 -7.830 1.00 0.56 C ATOM 309 OD1 ASN A 21 16.578 9.890 -8.664 1.00 0.83 O ATOM 310 ND2 ASN A 21 14.955 8.594 -7.837 1.00 0.58 N ATOM 0 H ASN A 21 16.209 6.353 -6.145 1.00 0.44 H new ATOM 0 HA ASN A 21 17.952 7.242 -8.203 1.00 0.52 H new ATOM 0 HB2 ASN A 21 16.548 8.417 -5.824 1.00 0.55 H new ATOM 0 HB3 ASN A 21 17.867 9.332 -6.526 1.00 0.55 H new ATOM 0 HD21 ASN A 21 14.293 8.900 -8.550 1.00 0.58 H new ATOM 0 HD22 ASN A 21 14.667 7.918 -7.129 1.00 0.58 H new ATOM 317 N SER A 22 19.219 6.709 -5.231 1.00 0.55 N ATOM 318 CA SER A 22 20.458 6.559 -4.484 1.00 0.63 C ATOM 319 C SER A 22 21.335 5.467 -5.101 1.00 0.63 C ATOM 320 O SER A 22 22.559 5.483 -4.951 1.00 0.76 O ATOM 321 CB SER A 22 20.147 6.242 -3.020 1.00 0.67 C ATOM 322 OG SER A 22 21.317 6.272 -2.219 1.00 1.28 O ATOM 0 H SER A 22 18.387 6.408 -4.724 1.00 0.55 H new ATOM 0 HA SER A 22 21.011 7.497 -4.530 1.00 0.63 H new ATOM 0 HB2 SER A 22 19.425 6.963 -2.637 1.00 0.67 H new ATOM 0 HB3 SER A 22 19.683 5.258 -2.951 1.00 0.67 H new ATOM 0 HG SER A 22 21.083 6.067 -1.290 1.00 1.28 H new ATOM 328 N GLY A 23 20.708 4.519 -5.793 1.00 0.52 N ATOM 329 CA GLY A 23 21.465 3.494 -6.485 1.00 0.57 C ATOM 330 C GLY A 23 20.808 2.130 -6.428 1.00 0.50 C ATOM 331 O GLY A 23 21.314 1.170 -7.013 1.00 0.57 O ATOM 0 H GLY A 23 19.695 4.444 -5.886 1.00 0.52 H new ATOM 0 HA2 GLY A 23 21.592 3.786 -7.527 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.462 3.429 -6.048 1.00 0.57 H new ATOM 335 N LEU A 24 19.691 2.033 -5.719 1.00 0.41 N ATOM 336 CA LEU A 24 18.985 0.768 -5.585 1.00 0.35 C ATOM 337 C LEU A 24 18.358 0.357 -6.904 1.00 0.37 C ATOM 338 O LEU A 24 17.389 0.960 -7.368 1.00 0.53 O ATOM 339 CB LEU A 24 17.924 0.859 -4.491 1.00 0.30 C ATOM 340 CG LEU A 24 18.311 0.218 -3.155 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.965 -1.257 -3.147 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.795 0.400 -2.891 1.00 0.48 C ATOM 0 H LEU A 24 19.256 2.815 -5.229 1.00 0.41 H new ATOM 0 HA LEU A 24 19.708 0.004 -5.301 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.692 1.910 -4.318 1.00 0.30 H new ATOM 0 HB3 LEU A 24 17.011 0.386 -4.852 1.00 0.30 H new ATOM 0 HG LEU A 24 17.746 0.714 -2.366 1.00 0.38 H new ATOM 0 HD11 LEU A 24 18.249 -1.692 -2.189 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.893 -1.380 -3.298 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.505 -1.762 -3.948 1.00 0.44 H new ATOM 0 HD21 LEU A 24 20.054 -0.061 -1.938 1.00 0.48 H new ATOM 0 HD22 LEU A 24 20.367 -0.072 -3.690 1.00 0.48 H new ATOM 0 HD23 LEU A 24 20.030 1.464 -2.856 1.00 0.48 H new ATOM 354 N ALA A 25 18.921 -0.683 -7.491 1.00 0.32 N ATOM 355 CA ALA A 25 18.479 -1.168 -8.790 1.00 0.33 C ATOM 356 C ALA A 25 17.088 -1.784 -8.717 1.00 0.31 C ATOM 357 O ALA A 25 16.408 -1.924 -9.735 1.00 0.41 O ATOM 358 CB ALA A 25 19.477 -2.170 -9.330 1.00 0.37 C ATOM 0 H ALA A 25 19.692 -1.214 -7.086 1.00 0.32 H new ATOM 0 HA ALA A 25 18.421 -0.317 -9.468 1.00 0.33 H new ATOM 0 HB1 ALA A 25 19.141 -2.530 -10.303 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.451 -1.692 -9.436 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.558 -3.010 -8.640 1.00 0.37 H new ATOM 364 N SER A 26 16.664 -2.132 -7.510 1.00 0.25 N ATOM 365 CA SER A 26 15.366 -2.748 -7.309 1.00 0.22 C ATOM 366 C SER A 26 14.229 -1.772 -7.618 1.00 0.19 C ATOM 367 O SER A 26 13.423 -2.030 -8.508 1.00 0.22 O ATOM 368 CB SER A 26 15.259 -3.282 -5.889 1.00 0.24 C ATOM 369 OG SER A 26 15.613 -2.297 -4.933 1.00 1.04 O ATOM 0 H SER A 26 17.204 -1.997 -6.655 1.00 0.25 H new ATOM 0 HA SER A 26 15.271 -3.582 -8.004 1.00 0.22 H new ATOM 0 HB2 SER A 26 14.240 -3.621 -5.703 1.00 0.24 H new ATOM 0 HB3 SER A 26 15.909 -4.150 -5.776 1.00 0.24 H new ATOM 0 HG SER A 26 15.282 -2.564 -4.050 1.00 1.04 H new ATOM 375 N TYR A 27 14.169 -0.648 -6.896 1.00 0.16 N ATOM 376 CA TYR A 27 13.107 0.335 -7.114 1.00 0.16 C ATOM 377 C TYR A 27 13.295 1.038 -8.456 1.00 0.21 C ATOM 378 O TYR A 27 12.371 1.662 -8.975 1.00 0.26 O ATOM 379 CB TYR A 27 13.062 1.381 -5.991 1.00 0.15 C ATOM 380 CG TYR A 27 13.249 0.807 -4.604 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.202 0.170 -3.956 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.472 0.895 -3.948 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.359 -0.361 -2.693 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.638 0.359 -2.685 1.00 0.22 C ATOM 385 CZ TYR A 27 13.580 -0.266 -2.061 1.00 0.21 C ATOM 386 OH TYR A 27 13.745 -0.799 -0.801 1.00 0.27 O ATOM 0 H TYR A 27 14.835 -0.400 -6.165 1.00 0.16 H new ATOM 0 HA TYR A 27 12.161 -0.207 -7.116 1.00 0.16 H new ATOM 0 HB2 TYR A 27 13.837 2.126 -6.172 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.105 1.901 -6.031 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.245 0.088 -4.450 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.302 1.388 -4.431 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.530 -0.849 -2.202 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.594 0.430 -2.188 1.00 0.22 H new ATOM 0 HH TYR A 27 14.665 -0.647 -0.500 1.00 0.27 H new ATOM 396 N CYS A 28 14.495 0.926 -9.011 1.00 0.25 N ATOM 397 CA CYS A 28 14.815 1.567 -10.278 1.00 0.31 C ATOM 398 C CYS A 28 14.099 0.856 -11.419 1.00 0.41 C ATOM 399 O CYS A 28 14.390 -0.301 -11.730 1.00 0.48 O ATOM 400 CB CYS A 28 16.327 1.569 -10.507 1.00 0.35 C ATOM 401 SG CYS A 28 16.867 2.629 -11.867 1.00 0.81 S ATOM 0 H CYS A 28 15.264 0.396 -8.602 1.00 0.25 H new ATOM 0 HA CYS A 28 14.474 2.602 -10.246 1.00 0.31 H new ATOM 0 HB2 CYS A 28 16.822 1.892 -9.591 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.655 0.548 -10.704 1.00 0.35 H new ATOM 0 HG CYS A 28 18.161 2.565 -11.980 1.00 0.81 H new ATOM 407 N GLY A 29 13.144 1.551 -12.024 1.00 0.50 N ATOM 408 CA GLY A 29 12.345 0.953 -13.076 1.00 0.65 C ATOM 409 C GLY A 29 11.229 0.101 -12.513 1.00 0.57 C ATOM 410 O GLY A 29 10.528 -0.594 -13.247 1.00 0.74 O ATOM 0 H GLY A 29 12.908 2.519 -11.805 1.00 0.50 H new ATOM 0 HA2 GLY A 29 11.923 1.738 -13.704 1.00 0.65 H new ATOM 0 HA3 GLY A 29 12.983 0.342 -13.715 1.00 0.65 H new ATOM 414 N ALA A 30 11.069 0.163 -11.201 1.00 0.43 N ATOM 415 CA ALA A 30 10.050 -0.602 -10.508 1.00 0.35 C ATOM 416 C ALA A 30 8.820 0.248 -10.257 1.00 0.30 C ATOM 417 O ALA A 30 8.850 1.464 -10.430 1.00 0.41 O ATOM 418 CB ALA A 30 10.582 -1.131 -9.192 1.00 0.33 C ATOM 0 H ALA A 30 11.642 0.744 -10.589 1.00 0.43 H new ATOM 0 HA ALA A 30 9.774 -1.444 -11.142 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.802 -1.702 -8.688 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.440 -1.776 -9.379 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.886 -0.296 -8.561 1.00 0.33 H new ATOM 424 N ALA A 31 7.739 -0.410 -9.889 1.00 0.24 N ATOM 425 CA ALA A 31 6.508 0.255 -9.506 1.00 0.19 C ATOM 426 C ALA A 31 6.279 0.054 -8.023 1.00 0.18 C ATOM 427 O ALA A 31 5.986 -1.049 -7.608 1.00 0.30 O ATOM 428 CB ALA A 31 5.350 -0.319 -10.297 1.00 0.19 C ATOM 0 H ALA A 31 7.689 -1.428 -9.847 1.00 0.24 H new ATOM 0 HA ALA A 31 6.582 1.322 -9.719 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.427 0.183 -10.007 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.526 -0.167 -11.362 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.263 -1.386 -10.092 1.00 0.19 H new ATOM 434 N ILE A 32 6.410 1.086 -7.209 1.00 0.14 N ATOM 435 CA ILE A 32 6.330 0.873 -5.774 1.00 0.13 C ATOM 436 C ILE A 32 4.960 1.249 -5.239 1.00 0.13 C ATOM 437 O ILE A 32 4.381 2.270 -5.615 1.00 0.21 O ATOM 438 CB ILE A 32 7.435 1.615 -4.991 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.434 1.151 -3.537 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.228 3.112 -5.062 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.803 1.138 -2.912 1.00 0.15 C ATOM 0 H ILE A 32 6.567 2.050 -7.503 1.00 0.14 H new ATOM 0 HA ILE A 32 6.491 -0.194 -5.618 1.00 0.13 H new ATOM 0 HB ILE A 32 8.400 1.383 -5.442 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.784 1.804 -2.955 1.00 0.13 H new ATOM 0 HG13 ILE A 32 7.009 0.149 -3.484 1.00 0.13 H new ATOM 0 HG21 ILE A 32 8.017 3.615 -4.504 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.257 3.434 -6.103 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.260 3.366 -4.631 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.728 0.798 -1.879 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.451 0.463 -3.470 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.222 2.144 -2.934 1.00 0.15 H new ATOM 453 N TYR A 33 4.445 0.397 -4.374 1.00 0.10 N ATOM 454 CA TYR A 33 3.107 0.548 -3.849 1.00 0.10 C ATOM 455 C TYR A 33 3.119 0.451 -2.334 1.00 0.09 C ATOM 456 O TYR A 33 4.047 -0.101 -1.738 1.00 0.09 O ATOM 457 CB TYR A 33 2.204 -0.546 -4.405 1.00 0.10 C ATOM 458 CG TYR A 33 2.210 -0.651 -5.909 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.420 0.184 -6.679 1.00 0.16 C ATOM 460 CD2 TYR A 33 3.008 -1.578 -6.557 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.427 0.101 -8.052 1.00 0.19 C ATOM 462 CE2 TYR A 33 3.020 -1.671 -7.934 1.00 0.16 C ATOM 463 CZ TYR A 33 2.218 -0.863 -8.674 1.00 0.19 C ATOM 464 OH TYR A 33 2.242 -0.907 -10.051 1.00 0.24 O ATOM 0 H TYR A 33 4.944 -0.418 -4.017 1.00 0.10 H new ATOM 0 HA TYR A 33 2.730 1.527 -4.147 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.512 -1.503 -3.984 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.183 -0.364 -4.069 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.788 0.913 -6.194 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.632 -2.240 -5.975 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.825 0.776 -8.642 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.666 -2.385 -8.422 1.00 0.16 H new ATOM 0 HH TYR A 33 2.516 -1.801 -10.345 1.00 0.24 H new ATOM 474 N ALA A 34 2.086 0.993 -1.720 1.00 0.11 N ATOM 475 CA ALA A 34 1.913 0.902 -0.285 1.00 0.11 C ATOM 476 C ALA A 34 1.111 -0.313 0.077 1.00 0.10 C ATOM 477 O ALA A 34 -0.039 -0.450 -0.342 1.00 0.14 O ATOM 478 CB ALA A 34 1.203 2.117 0.246 1.00 0.12 C ATOM 0 H ALA A 34 1.347 1.506 -2.200 1.00 0.11 H new ATOM 0 HA ALA A 34 2.906 0.834 0.159 1.00 0.11 H new ATOM 0 HB1 ALA A 34 1.084 2.026 1.326 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.788 3.008 0.019 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.222 2.198 -0.221 1.00 0.12 H new ATOM 484 N ARG A 35 1.692 -1.189 0.858 1.00 0.09 N ATOM 485 CA ARG A 35 0.972 -2.351 1.295 1.00 0.09 C ATOM 486 C ARG A 35 1.231 -2.612 2.766 1.00 0.08 C ATOM 487 O ARG A 35 2.374 -2.743 3.200 1.00 0.08 O ATOM 488 CB ARG A 35 1.334 -3.566 0.437 1.00 0.10 C ATOM 489 CG ARG A 35 0.132 -4.431 0.125 1.00 0.12 C ATOM 490 CD ARG A 35 -0.943 -3.628 -0.602 1.00 0.16 C ATOM 491 NE ARG A 35 -0.449 -3.083 -1.874 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.168 -2.317 -2.704 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.447 -2.080 -2.465 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.602 -1.808 -3.792 1.00 0.40 N ATOM 0 H ARG A 35 2.651 -1.119 1.199 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.095 -2.168 1.172 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.786 -3.227 -0.495 1.00 0.10 H new ATOM 0 HB3 ARG A 35 2.083 -4.164 0.956 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.438 -5.277 -0.490 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.277 -4.840 1.049 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.807 -4.265 -0.790 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.281 -2.812 0.036 1.00 0.16 H new ATOM 0 HE ARG A 35 0.510 -3.304 -2.144 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -2.895 -2.482 -1.642 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -2.985 -1.495 -3.104 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.379 -2.001 -3.994 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.148 -1.224 -4.425 1.00 0.40 H new ATOM 508 N TYR A 36 0.158 -2.620 3.527 1.00 0.10 N ATOM 509 CA TYR A 36 0.202 -3.003 4.920 1.00 0.11 C ATOM 510 C TYR A 36 0.343 -4.518 4.979 1.00 0.14 C ATOM 511 O TYR A 36 -0.646 -5.231 5.114 1.00 0.19 O ATOM 512 CB TYR A 36 -1.088 -2.564 5.613 1.00 0.14 C ATOM 513 CG TYR A 36 -0.999 -2.550 7.112 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.396 -1.494 7.763 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.516 -3.583 7.871 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.310 -1.450 9.133 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.437 -3.560 9.246 1.00 0.21 C ATOM 518 CZ TYR A 36 -0.833 -2.488 9.878 1.00 0.18 C ATOM 519 OH TYR A 36 -0.764 -2.445 11.253 1.00 0.20 O ATOM 0 H TYR A 36 -0.771 -2.360 3.196 1.00 0.10 H new ATOM 0 HA TYR A 36 1.042 -2.527 5.427 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.354 -1.566 5.265 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -1.895 -3.232 5.313 1.00 0.14 H new ATOM 0 HD1 TYR A 36 0.018 -0.683 7.182 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -1.989 -4.420 7.379 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.162 -0.611 9.623 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -1.844 -4.374 9.827 1.00 0.21 H new ATOM 0 HH TYR A 36 -1.178 -3.251 11.627 1.00 0.20 H new ATOM 529 N ASP A 37 1.567 -4.996 4.822 1.00 0.13 N ATOM 530 CA ASP A 37 1.837 -6.433 4.772 1.00 0.17 C ATOM 531 C ASP A 37 3.196 -6.721 5.395 1.00 0.17 C ATOM 532 O ASP A 37 3.784 -5.858 6.047 1.00 0.16 O ATOM 533 CB ASP A 37 1.812 -6.978 3.327 1.00 0.19 C ATOM 534 CG ASP A 37 1.346 -8.428 3.266 1.00 0.47 C ATOM 535 OD1 ASP A 37 2.141 -9.332 3.597 1.00 0.72 O ATOM 536 OD2 ASP A 37 0.180 -8.672 2.879 1.00 0.63 O ATOM 0 H ASP A 37 2.397 -4.410 4.726 1.00 0.13 H new ATOM 0 HA ASP A 37 1.048 -6.935 5.333 1.00 0.17 H new ATOM 0 HB2 ASP A 37 1.151 -6.360 2.719 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.809 -6.900 2.894 1.00 0.19 H new ATOM 541 N LYS A 38 3.688 -7.926 5.194 1.00 0.24 N ATOM 542 CA LYS A 38 4.990 -8.322 5.694 1.00 0.27 C ATOM 543 C LYS A 38 6.081 -7.943 4.702 1.00 0.26 C ATOM 544 O LYS A 38 5.808 -7.696 3.532 1.00 0.24 O ATOM 545 CB LYS A 38 5.015 -9.830 5.888 1.00 0.35 C ATOM 546 CG LYS A 38 3.976 -10.342 6.868 1.00 0.73 C ATOM 547 CD LYS A 38 3.816 -11.844 6.798 1.00 1.05 C ATOM 548 CE LYS A 38 3.850 -12.359 5.373 1.00 0.94 C ATOM 549 NZ LYS A 38 2.727 -11.835 4.536 1.00 1.74 N ATOM 0 H LYS A 38 3.198 -8.658 4.680 1.00 0.24 H new ATOM 0 HA LYS A 38 5.170 -7.811 6.640 1.00 0.27 H new ATOM 0 HB2 LYS A 38 4.859 -10.313 4.923 1.00 0.35 H new ATOM 0 HB3 LYS A 38 6.005 -10.125 6.236 1.00 0.35 H new ATOM 0 HG2 LYS A 38 4.261 -10.056 7.880 1.00 0.73 H new ATOM 0 HG3 LYS A 38 3.018 -9.866 6.660 1.00 0.73 H new ATOM 0 HD2 LYS A 38 4.611 -12.319 7.373 1.00 1.05 H new ATOM 0 HD3 LYS A 38 2.872 -12.129 7.263 1.00 1.05 H new ATOM 0 HE2 LYS A 38 4.799 -12.080 4.914 1.00 0.94 H new ATOM 0 HE3 LYS A 38 3.810 -13.448 5.385 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 2.732 -12.310 3.611 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 1.822 -12.019 5.015 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 2.844 -10.811 4.399 1.00 1.74 H new ATOM 563 N GLY A 39 7.311 -7.899 5.182 1.00 0.34 N ATOM 564 CA GLY A 39 8.445 -7.703 4.309 1.00 0.39 C ATOM 565 C GLY A 39 9.140 -9.020 4.047 1.00 0.38 C ATOM 566 O GLY A 39 8.537 -9.952 3.521 1.00 0.40 O ATOM 0 H GLY A 39 7.546 -7.997 6.170 1.00 0.34 H new ATOM 0 HA2 GLY A 39 8.116 -7.264 3.367 1.00 0.39 H new ATOM 0 HA3 GLY A 39 9.144 -6.999 4.762 1.00 0.39 H new ATOM 570 N ASN A 40 10.413 -9.095 4.401 1.00 0.42 N ATOM 571 CA ASN A 40 11.139 -10.361 4.384 1.00 0.46 C ATOM 572 C ASN A 40 10.578 -11.275 5.486 1.00 0.45 C ATOM 573 O ASN A 40 9.705 -10.852 6.242 1.00 0.42 O ATOM 574 CB ASN A 40 12.642 -10.094 4.584 1.00 0.56 C ATOM 575 CG ASN A 40 13.498 -11.341 4.482 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.758 -12.014 5.479 1.00 0.89 O ATOM 577 ND2 ASN A 40 13.945 -11.656 3.278 1.00 1.69 N ATOM 0 H ASN A 40 10.968 -8.295 4.704 1.00 0.42 H new ATOM 0 HA ASN A 40 11.011 -10.861 3.424 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.977 -9.372 3.839 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.795 -9.637 5.562 1.00 0.56 H new ATOM 0 HD21 ASN A 40 14.528 -12.483 3.151 1.00 1.69 H new ATOM 0 HD22 ASN A 40 13.707 -11.072 2.477 1.00 1.69 H new ATOM 584 N SER A 41 11.061 -12.509 5.576 1.00 0.57 N ATOM 585 CA SER A 41 10.579 -13.452 6.583 1.00 0.65 C ATOM 586 C SER A 41 10.685 -12.852 7.987 1.00 0.63 C ATOM 587 O SER A 41 9.736 -12.901 8.767 1.00 0.75 O ATOM 588 CB SER A 41 11.375 -14.761 6.500 1.00 0.94 C ATOM 589 OG SER A 41 10.876 -15.727 7.410 1.00 1.58 O ATOM 0 H SER A 41 11.787 -12.882 4.964 1.00 0.57 H new ATOM 0 HA SER A 41 9.528 -13.663 6.384 1.00 0.65 H new ATOM 0 HB2 SER A 41 11.326 -15.155 5.485 1.00 0.94 H new ATOM 0 HB3 SER A 41 12.425 -14.564 6.715 1.00 0.94 H new ATOM 0 HG SER A 41 11.402 -16.551 7.334 1.00 1.58 H new ATOM 595 N SER A 42 11.831 -12.251 8.285 1.00 0.70 N ATOM 596 CA SER A 42 12.071 -11.640 9.586 1.00 0.85 C ATOM 597 C SER A 42 11.340 -10.298 9.713 1.00 0.84 C ATOM 598 O SER A 42 11.306 -9.685 10.781 1.00 1.07 O ATOM 599 CB SER A 42 13.572 -11.458 9.781 1.00 1.03 C ATOM 600 OG SER A 42 14.175 -10.968 8.594 1.00 1.61 O ATOM 0 H SER A 42 12.615 -12.174 7.637 1.00 0.70 H new ATOM 0 HA SER A 42 11.680 -12.296 10.364 1.00 0.85 H new ATOM 0 HB2 SER A 42 13.756 -10.764 10.602 1.00 1.03 H new ATOM 0 HB3 SER A 42 14.026 -12.409 10.060 1.00 1.03 H new ATOM 0 HG SER A 42 15.138 -10.856 8.738 1.00 1.61 H new ATOM 606 N GLN A 43 10.766 -9.854 8.606 1.00 0.71 N ATOM 607 CA GLN A 43 10.047 -8.588 8.538 1.00 0.85 C ATOM 608 C GLN A 43 8.540 -8.823 8.488 1.00 0.89 C ATOM 609 O GLN A 43 7.805 -8.046 7.883 1.00 1.47 O ATOM 610 CB GLN A 43 10.492 -7.780 7.317 1.00 0.90 C ATOM 611 CG GLN A 43 11.854 -7.125 7.469 1.00 1.37 C ATOM 612 CD GLN A 43 11.814 -5.919 8.391 1.00 1.82 C ATOM 613 OE1 GLN A 43 11.583 -4.796 7.944 1.00 2.47 O ATOM 614 NE2 GLN A 43 12.044 -6.139 9.675 1.00 2.27 N ATOM 0 H GLN A 43 10.785 -10.364 7.723 1.00 0.71 H new ATOM 0 HA GLN A 43 10.281 -8.020 9.438 1.00 0.85 H new ATOM 0 HB2 GLN A 43 10.512 -8.437 6.448 1.00 0.90 H new ATOM 0 HB3 GLN A 43 9.750 -7.008 7.116 1.00 0.90 H new ATOM 0 HG2 GLN A 43 12.564 -7.854 7.859 1.00 1.37 H new ATOM 0 HG3 GLN A 43 12.219 -6.818 6.489 1.00 1.37 H new ATOM 0 HE21 GLN A 43 12.231 -7.086 10.005 1.00 2.27 H new ATOM 0 HE22 GLN A 43 12.034 -5.362 10.335 1.00 2.27 H new ATOM 623 N GLN A 44 8.092 -9.929 9.071 1.00 0.61 N ATOM 624 CA GLN A 44 6.666 -10.273 9.109 1.00 0.58 C ATOM 625 C GLN A 44 5.847 -9.234 9.895 1.00 0.65 C ATOM 626 O GLN A 44 6.333 -8.134 10.166 1.00 1.34 O ATOM 627 CB GLN A 44 6.470 -11.663 9.713 1.00 0.63 C ATOM 628 CG GLN A 44 6.758 -11.769 11.204 1.00 1.03 C ATOM 629 CD GLN A 44 8.226 -11.635 11.564 1.00 1.58 C ATOM 630 OE1 GLN A 44 8.966 -12.613 11.576 1.00 2.07 O ATOM 631 NE2 GLN A 44 8.648 -10.424 11.888 1.00 2.18 N ATOM 0 H GLN A 44 8.697 -10.611 9.529 1.00 0.61 H new ATOM 0 HA GLN A 44 6.303 -10.273 8.081 1.00 0.58 H new ATOM 0 HB2 GLN A 44 5.442 -11.977 9.535 1.00 0.63 H new ATOM 0 HB3 GLN A 44 7.114 -12.365 9.184 1.00 0.63 H new ATOM 0 HG2 GLN A 44 6.195 -10.996 11.727 1.00 1.03 H new ATOM 0 HG3 GLN A 44 6.393 -12.730 11.566 1.00 1.03 H new ATOM 0 HE21 GLN A 44 8.001 -9.636 11.866 1.00 2.18 H new ATOM 0 HE22 GLN A 44 9.620 -10.279 12.160 1.00 2.18 H new ATOM 640 N THR A 45 4.620 -9.614 10.285 1.00 0.27 N ATOM 641 CA THR A 45 3.634 -8.708 10.892 1.00 0.30 C ATOM 642 C THR A 45 3.388 -7.478 10.029 1.00 0.25 C ATOM 643 O THR A 45 4.245 -6.605 9.908 1.00 0.35 O ATOM 644 CB THR A 45 3.981 -8.289 12.345 1.00 0.47 C ATOM 645 OG1 THR A 45 5.390 -8.088 12.518 1.00 0.57 O ATOM 646 CG2 THR A 45 3.493 -9.331 13.333 1.00 0.59 C ATOM 0 H THR A 45 4.281 -10.571 10.186 1.00 0.27 H new ATOM 0 HA THR A 45 2.713 -9.288 10.946 1.00 0.30 H new ATOM 0 HB THR A 45 3.474 -7.343 12.535 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.756 -7.638 11.728 1.00 0.57 H new ATOM 0 HG21 THR A 45 3.746 -9.018 14.346 1.00 0.59 H new ATOM 0 HG22 THR A 45 2.412 -9.437 13.245 1.00 0.59 H new ATOM 0 HG23 THR A 45 3.970 -10.287 13.119 1.00 0.59 H new ATOM 654 N LYS A 46 2.208 -7.424 9.429 1.00 0.21 N ATOM 655 CA LYS A 46 1.871 -6.366 8.490 1.00 0.18 C ATOM 656 C LYS A 46 1.997 -4.989 9.119 1.00 0.17 C ATOM 657 O LYS A 46 1.426 -4.721 10.172 1.00 0.21 O ATOM 658 CB LYS A 46 0.448 -6.507 7.972 1.00 0.20 C ATOM 659 CG LYS A 46 0.104 -7.873 7.422 1.00 0.23 C ATOM 660 CD LYS A 46 -1.095 -7.782 6.500 1.00 0.24 C ATOM 661 CE LYS A 46 -1.839 -9.102 6.407 1.00 0.34 C ATOM 662 NZ LYS A 46 -3.061 -8.991 5.566 1.00 0.55 N ATOM 0 H LYS A 46 1.464 -8.106 9.578 1.00 0.21 H new ATOM 0 HA LYS A 46 2.580 -6.464 7.668 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.243 -6.273 8.782 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.286 -5.765 7.190 1.00 0.20 H new ATOM 0 HG2 LYS A 46 0.958 -8.280 6.880 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.110 -8.559 8.241 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -1.772 -7.008 6.861 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.766 -7.480 5.506 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -1.179 -9.862 5.990 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.116 -9.434 7.408 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -3.541 -9.913 5.527 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -3.703 -8.284 5.978 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -2.795 -8.699 4.604 1.00 0.55 H new ATOM 676 N GLU A 47 2.753 -4.134 8.466 1.00 0.13 N ATOM 677 CA GLU A 47 2.797 -2.716 8.784 1.00 0.14 C ATOM 678 C GLU A 47 2.923 -1.971 7.484 1.00 0.11 C ATOM 679 O GLU A 47 3.379 -2.540 6.493 1.00 0.12 O ATOM 680 CB GLU A 47 3.968 -2.362 9.698 1.00 0.18 C ATOM 681 CG GLU A 47 3.896 -3.022 11.059 1.00 0.32 C ATOM 682 CD GLU A 47 5.163 -2.837 11.866 1.00 0.33 C ATOM 683 OE1 GLU A 47 6.264 -2.919 11.279 1.00 0.47 O ATOM 684 OE2 GLU A 47 5.069 -2.617 13.094 1.00 0.64 O ATOM 0 H GLU A 47 3.361 -4.402 7.692 1.00 0.13 H new ATOM 0 HA GLU A 47 1.889 -2.441 9.321 1.00 0.14 H new ATOM 0 HB2 GLU A 47 4.899 -2.653 9.211 1.00 0.18 H new ATOM 0 HB3 GLU A 47 4.001 -1.280 9.829 1.00 0.18 H new ATOM 0 HG2 GLU A 47 3.053 -2.610 11.614 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.703 -4.087 10.932 1.00 0.32 H new ATOM 691 N TRP A 48 2.485 -0.729 7.468 1.00 0.11 N ATOM 692 CA TRP A 48 2.577 0.064 6.271 1.00 0.11 C ATOM 693 C TRP A 48 4.012 0.176 5.810 1.00 0.10 C ATOM 694 O TRP A 48 4.843 0.790 6.465 1.00 0.12 O ATOM 695 CB TRP A 48 2.042 1.452 6.499 1.00 0.12 C ATOM 696 CG TRP A 48 0.562 1.558 6.429 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.280 1.968 7.415 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.250 1.244 5.301 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.572 1.962 6.951 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.581 1.507 5.659 1.00 0.12 C ATOM 701 CE3 TRP A 48 0.025 0.771 4.019 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.641 1.314 4.776 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -1.022 0.575 3.145 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.344 0.848 3.528 1.00 0.14 C ATOM 0 H TRP A 48 2.065 -0.254 8.267 1.00 0.11 H new ATOM 0 HA TRP A 48 1.981 -0.437 5.508 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.373 1.800 7.478 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.478 2.122 5.758 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.022 2.255 8.412 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.393 2.250 7.483 1.00 0.13 H new ATOM 0 HE3 TRP A 48 1.040 0.562 3.716 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.659 1.525 5.068 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.822 0.206 2.150 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -3.143 0.686 2.820 1.00 0.14 H new ATOM 715 N ARG A 49 4.309 -0.409 4.689 1.00 0.11 N ATOM 716 CA ARG A 49 5.641 -0.337 4.155 1.00 0.13 C ATOM 717 C ARG A 49 5.568 -0.093 2.670 1.00 0.11 C ATOM 718 O ARG A 49 4.503 -0.226 2.061 1.00 0.13 O ATOM 719 CB ARG A 49 6.406 -1.624 4.466 1.00 0.15 C ATOM 720 CG ARG A 49 6.683 -1.813 5.946 1.00 0.21 C ATOM 721 CD ARG A 49 6.854 -3.273 6.297 1.00 0.31 C ATOM 722 NE ARG A 49 6.661 -3.520 7.721 1.00 0.51 N ATOM 723 CZ ARG A 49 6.556 -4.733 8.247 1.00 0.30 C ATOM 724 NH1 ARG A 49 6.521 -5.787 7.452 1.00 0.82 N ATOM 725 NH2 ARG A 49 6.445 -4.892 9.557 1.00 0.45 N ATOM 0 H ARG A 49 3.648 -0.943 4.124 1.00 0.11 H new ATOM 0 HA ARG A 49 6.179 0.489 4.620 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.835 -2.476 4.098 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.352 -1.617 3.924 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.583 -1.264 6.221 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.863 -1.392 6.527 1.00 0.21 H new ATOM 0 HD2 ARG A 49 6.142 -3.869 5.726 1.00 0.31 H new ATOM 0 HD3 ARG A 49 7.851 -3.602 6.004 1.00 0.31 H new ATOM 0 HE ARG A 49 6.604 -2.716 8.347 1.00 0.51 H new ATOM 0 HH11 ARG A 49 6.575 -5.665 6.441 1.00 0.82 H new ATOM 0 HH12 ARG A 49 6.440 -6.723 7.849 1.00 0.82 H new ATOM 0 HH21 ARG A 49 6.440 -4.077 10.171 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.365 -5.829 9.952 1.00 0.45 H new ATOM 739 N CYS A 50 6.688 0.255 2.089 1.00 0.11 N ATOM 740 CA CYS A 50 6.727 0.500 0.675 1.00 0.11 C ATOM 741 C CYS A 50 7.292 -0.724 -0.009 1.00 0.11 C ATOM 742 O CYS A 50 8.417 -1.134 0.260 1.00 0.17 O ATOM 743 CB CYS A 50 7.599 1.730 0.402 1.00 0.19 C ATOM 744 SG CYS A 50 7.084 3.204 1.316 1.00 1.13 S ATOM 0 H CYS A 50 7.579 0.374 2.572 1.00 0.11 H new ATOM 0 HA CYS A 50 5.727 0.694 0.288 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.632 1.496 0.659 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.578 1.949 -0.665 1.00 0.19 H new ATOM 0 HG CYS A 50 8.113 3.723 1.918 1.00 1.13 H new ATOM 750 N TYR A 51 6.497 -1.290 -0.895 1.00 0.10 N ATOM 751 CA TYR A 51 6.856 -2.503 -1.599 1.00 0.11 C ATOM 752 C TYR A 51 6.756 -2.248 -3.088 1.00 0.10 C ATOM 753 O TYR A 51 5.711 -1.812 -3.563 1.00 0.11 O ATOM 754 CB TYR A 51 5.890 -3.634 -1.240 1.00 0.11 C ATOM 755 CG TYR A 51 5.853 -3.991 0.217 1.00 0.12 C ATOM 756 CD1 TYR A 51 7.029 -4.179 0.917 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.653 -4.142 0.888 1.00 0.14 C ATOM 758 CE1 TYR A 51 7.013 -4.509 2.257 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.625 -4.470 2.226 1.00 0.16 C ATOM 760 CZ TYR A 51 5.763 -4.649 2.905 1.00 0.16 C ATOM 761 OH TYR A 51 5.778 -4.983 4.236 1.00 0.20 O ATOM 0 H TYR A 51 5.581 -0.920 -1.147 1.00 0.10 H new ATOM 0 HA TYR A 51 7.869 -2.789 -1.318 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.886 -3.349 -1.556 1.00 0.11 H new ATOM 0 HB3 TYR A 51 6.164 -4.522 -1.810 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.975 -4.066 0.408 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.724 -4.001 0.355 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.935 -4.657 2.799 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.677 -4.583 2.730 1.00 0.16 H new ATOM 0 HH TYR A 51 4.876 -4.887 4.608 1.00 0.20 H new ATOM 771 N ILE A 52 7.814 -2.483 -3.833 1.00 0.11 N ATOM 772 CA ILE A 52 7.699 -2.396 -5.273 1.00 0.12 C ATOM 773 C ILE A 52 6.994 -3.633 -5.799 1.00 0.15 C ATOM 774 O ILE A 52 7.057 -4.702 -5.196 1.00 0.17 O ATOM 775 CB ILE A 52 9.050 -2.199 -5.980 1.00 0.15 C ATOM 776 CG1 ILE A 52 10.092 -3.090 -5.417 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.511 -0.761 -5.856 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.413 -2.942 -6.130 1.00 0.24 C ATOM 0 H ILE A 52 8.739 -2.729 -3.480 1.00 0.11 H new ATOM 0 HA ILE A 52 7.111 -1.506 -5.498 1.00 0.12 H new ATOM 0 HB ILE A 52 8.903 -2.450 -7.031 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.225 -2.867 -4.358 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.758 -4.125 -5.485 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.469 -0.641 -6.362 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.773 -0.102 -6.314 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.623 -0.504 -4.803 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.145 -3.614 -5.683 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.288 -3.191 -7.184 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.762 -1.913 -6.039 1.00 0.24 H new ATOM 790 N GLU A 53 6.293 -3.445 -6.916 1.00 0.16 N ATOM 791 CA GLU A 53 5.442 -4.455 -7.538 1.00 0.18 C ATOM 792 C GLU A 53 6.173 -5.775 -7.698 1.00 0.20 C ATOM 793 O GLU A 53 5.560 -6.838 -7.763 1.00 0.24 O ATOM 794 CB GLU A 53 4.974 -3.952 -8.898 1.00 0.19 C ATOM 795 CG GLU A 53 4.076 -4.928 -9.621 1.00 0.22 C ATOM 796 CD GLU A 53 3.537 -4.358 -10.915 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.613 -3.521 -10.858 1.00 0.34 O ATOM 798 OE2 GLU A 53 4.029 -4.747 -11.996 1.00 0.39 O ATOM 0 H GLU A 53 6.302 -2.562 -7.426 1.00 0.16 H new ATOM 0 HA GLU A 53 4.583 -4.627 -6.889 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.442 -3.010 -8.766 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.845 -3.742 -9.519 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.631 -5.842 -9.832 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.244 -5.203 -8.973 1.00 0.22 H new ATOM 805 N LYS A 54 7.487 -5.667 -7.781 1.00 0.20 N ATOM 806 CA LYS A 54 8.384 -6.805 -7.787 1.00 0.24 C ATOM 807 C LYS A 54 8.010 -7.785 -6.682 1.00 0.25 C ATOM 808 O LYS A 54 7.886 -8.994 -6.894 1.00 0.30 O ATOM 809 CB LYS A 54 9.809 -6.291 -7.519 1.00 0.26 C ATOM 810 CG LYS A 54 10.901 -6.923 -8.382 1.00 0.79 C ATOM 811 CD LYS A 54 11.653 -8.018 -7.642 1.00 1.67 C ATOM 812 CE LYS A 54 10.824 -9.279 -7.504 1.00 2.57 C ATOM 813 NZ LYS A 54 11.416 -10.234 -6.533 1.00 3.37 N ATOM 0 H LYS A 54 7.967 -4.770 -7.847 1.00 0.20 H new ATOM 0 HA LYS A 54 8.318 -7.312 -8.750 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.824 -5.212 -7.674 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.050 -6.466 -6.470 1.00 0.26 H new ATOM 0 HG2 LYS A 54 10.454 -7.338 -9.285 1.00 0.79 H new ATOM 0 HG3 LYS A 54 11.603 -6.152 -8.699 1.00 0.79 H new ATOM 0 HD2 LYS A 54 12.577 -8.247 -8.174 1.00 1.67 H new ATOM 0 HD3 LYS A 54 11.936 -7.659 -6.652 1.00 1.67 H new ATOM 0 HE2 LYS A 54 9.816 -9.016 -7.184 1.00 2.57 H new ATOM 0 HE3 LYS A 54 10.734 -9.761 -8.477 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 11.037 -11.187 -6.708 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 12.450 -10.247 -6.645 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 11.176 -9.938 -5.565 1.00 3.37 H new ATOM 827 N GLU A 55 7.823 -7.221 -5.507 1.00 0.22 N ATOM 828 CA GLU A 55 7.743 -7.976 -4.283 1.00 0.26 C ATOM 829 C GLU A 55 6.298 -8.271 -3.871 1.00 0.24 C ATOM 830 O GLU A 55 6.050 -9.184 -3.081 1.00 0.38 O ATOM 831 CB GLU A 55 8.470 -7.175 -3.221 1.00 0.28 C ATOM 832 CG GLU A 55 9.799 -6.613 -3.706 1.00 0.27 C ATOM 833 CD GLU A 55 10.880 -7.667 -3.888 1.00 0.32 C ATOM 834 OE1 GLU A 55 10.564 -8.761 -4.395 1.00 0.71 O ATOM 835 OE2 GLU A 55 12.041 -7.423 -3.510 1.00 0.70 O ATOM 0 H GLU A 55 7.722 -6.214 -5.378 1.00 0.22 H new ATOM 0 HA GLU A 55 8.207 -8.953 -4.419 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.833 -6.354 -2.893 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.645 -7.809 -2.352 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.642 -6.100 -4.655 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.149 -5.866 -2.994 1.00 0.27 H new ATOM 842 N LEU A 56 5.340 -7.508 -4.398 1.00 0.15 N ATOM 843 CA LEU A 56 3.940 -7.801 -4.160 1.00 0.14 C ATOM 844 C LEU A 56 3.502 -8.974 -5.015 1.00 0.16 C ATOM 845 O LEU A 56 4.229 -9.444 -5.891 1.00 0.22 O ATOM 846 CB LEU A 56 3.021 -6.624 -4.498 1.00 0.14 C ATOM 847 CG LEU A 56 2.992 -5.443 -3.532 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.272 -4.658 -3.649 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.811 -4.559 -3.870 1.00 0.15 C ATOM 0 H LEU A 56 5.512 -6.692 -4.986 1.00 0.15 H new ATOM 0 HA LEU A 56 3.854 -8.022 -3.096 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.308 -6.247 -5.480 1.00 0.14 H new ATOM 0 HB3 LEU A 56 2.005 -7.008 -4.588 1.00 0.14 H new ATOM 0 HG LEU A 56 2.895 -5.806 -2.509 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.247 -3.816 -2.958 1.00 0.12 H new ATOM 0 HD12 LEU A 56 5.117 -5.302 -3.406 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.380 -4.287 -4.668 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.782 -3.712 -3.184 1.00 0.15 H new ATOM 0 HD22 LEU A 56 1.910 -4.195 -4.893 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.889 -5.133 -3.777 1.00 0.15 H new ATOM 861 N ASP A 57 2.309 -9.434 -4.744 1.00 0.16 N ATOM 862 CA ASP A 57 1.668 -10.443 -5.562 1.00 0.19 C ATOM 863 C ASP A 57 0.229 -10.030 -5.814 1.00 0.21 C ATOM 864 O ASP A 57 -0.525 -9.803 -4.870 1.00 0.24 O ATOM 865 CB ASP A 57 1.709 -11.805 -4.872 1.00 0.22 C ATOM 866 CG ASP A 57 1.456 -12.941 -5.836 1.00 0.28 C ATOM 867 OD1 ASP A 57 2.409 -13.381 -6.500 1.00 0.98 O ATOM 868 OD2 ASP A 57 0.297 -13.396 -5.936 1.00 0.80 O ATOM 0 H ASP A 57 1.749 -9.123 -3.950 1.00 0.16 H new ATOM 0 HA ASP A 57 2.201 -10.529 -6.509 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.682 -11.942 -4.399 1.00 0.22 H new ATOM 0 HB3 ASP A 57 0.962 -11.831 -4.078 1.00 0.22 H new ATOM 873 N PHE A 58 -0.151 -9.914 -7.073 1.00 0.21 N ATOM 874 CA PHE A 58 -1.502 -9.488 -7.418 1.00 0.23 C ATOM 875 C PHE A 58 -2.445 -10.673 -7.533 1.00 0.28 C ATOM 876 O PHE A 58 -3.613 -10.521 -7.892 1.00 0.35 O ATOM 877 CB PHE A 58 -1.505 -8.673 -8.703 1.00 0.27 C ATOM 878 CG PHE A 58 -1.099 -7.244 -8.492 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.226 -6.895 -8.284 1.00 0.25 C ATOM 880 CD2 PHE A 58 -2.055 -6.249 -8.510 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.588 -5.574 -8.098 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.702 -4.925 -8.323 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.378 -4.587 -8.120 1.00 0.31 C ATOM 0 H PHE A 58 0.451 -10.107 -7.873 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.862 -8.852 -6.609 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.828 -9.135 -9.421 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.502 -8.701 -9.142 1.00 0.27 H new ATOM 0 HD1 PHE A 58 0.984 -7.664 -8.267 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -3.091 -6.507 -8.672 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.624 -5.314 -7.936 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.460 -4.156 -8.336 1.00 0.33 H new ATOM 0 HZ PHE A 58 -0.099 -3.553 -7.979 1.00 0.31 H new ATOM 893 N SER A 59 -1.940 -11.856 -7.226 1.00 0.27 N ATOM 894 CA SER A 59 -2.794 -13.021 -7.101 1.00 0.33 C ATOM 895 C SER A 59 -3.204 -13.146 -5.640 1.00 0.33 C ATOM 896 O SER A 59 -3.980 -14.020 -5.257 1.00 0.38 O ATOM 897 CB SER A 59 -2.083 -14.281 -7.589 1.00 0.38 C ATOM 898 OG SER A 59 -0.811 -13.976 -8.148 1.00 1.29 O ATOM 0 H SER A 59 -0.949 -12.033 -7.060 1.00 0.27 H new ATOM 0 HA SER A 59 -3.680 -12.904 -7.725 1.00 0.33 H new ATOM 0 HB2 SER A 59 -1.960 -14.976 -6.758 1.00 0.38 H new ATOM 0 HB3 SER A 59 -2.699 -14.782 -8.335 1.00 0.38 H new ATOM 0 HG SER A 59 -0.118 -14.087 -7.464 1.00 1.29 H new ATOM 904 N LYS A 60 -2.663 -12.233 -4.837 1.00 0.29 N ATOM 905 CA LYS A 60 -3.052 -12.073 -3.455 1.00 0.29 C ATOM 906 C LYS A 60 -3.929 -10.845 -3.341 1.00 0.29 C ATOM 907 O LYS A 60 -3.561 -9.768 -3.814 1.00 0.30 O ATOM 908 CB LYS A 60 -1.829 -11.862 -2.555 1.00 0.31 C ATOM 909 CG LYS A 60 -1.248 -13.117 -1.918 1.00 0.46 C ATOM 910 CD LYS A 60 -0.606 -14.060 -2.924 1.00 0.97 C ATOM 911 CE LYS A 60 -1.588 -15.093 -3.456 1.00 1.43 C ATOM 912 NZ LYS A 60 -2.220 -15.875 -2.362 1.00 2.40 N ATOM 0 H LYS A 60 -1.937 -11.583 -5.138 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.576 -12.975 -3.138 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -1.047 -11.381 -3.144 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -2.102 -11.168 -1.760 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -0.504 -12.828 -1.175 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -2.039 -13.647 -1.388 1.00 0.46 H new ATOM 0 HD2 LYS A 60 -0.205 -13.481 -3.756 1.00 0.97 H new ATOM 0 HD3 LYS A 60 0.236 -14.570 -2.455 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -2.362 -14.592 -4.037 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -1.069 -15.771 -4.134 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -2.513 -16.805 -2.724 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 -1.537 -16.004 -1.588 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 -3.053 -15.364 -2.007 1.00 2.40 H new ATOM 926 N SER A 61 -5.089 -10.991 -2.737 1.00 0.33 N ATOM 927 CA SER A 61 -5.921 -9.839 -2.500 1.00 0.36 C ATOM 928 C SER A 61 -5.463 -9.141 -1.235 1.00 0.40 C ATOM 929 O SER A 61 -5.404 -9.740 -0.159 1.00 0.49 O ATOM 930 CB SER A 61 -7.392 -10.221 -2.410 1.00 0.45 C ATOM 931 OG SER A 61 -7.602 -11.269 -1.474 1.00 1.19 O ATOM 0 H SER A 61 -5.469 -11.879 -2.408 1.00 0.33 H new ATOM 0 HA SER A 61 -5.821 -9.156 -3.344 1.00 0.36 H new ATOM 0 HB2 SER A 61 -7.978 -9.349 -2.119 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.749 -10.532 -3.392 1.00 0.45 H new ATOM 0 HG SER A 61 -6.940 -11.202 -0.754 1.00 1.19 H new ATOM 937 N GLY A 62 -5.137 -7.880 -1.375 1.00 0.42 N ATOM 938 CA GLY A 62 -4.521 -7.153 -0.300 1.00 0.53 C ATOM 939 C GLY A 62 -5.518 -6.465 0.585 1.00 0.36 C ATOM 940 O GLY A 62 -6.023 -5.397 0.246 1.00 0.28 O ATOM 0 H GLY A 62 -5.289 -7.338 -2.225 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -3.922 -7.839 0.300 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.837 -6.412 -0.714 1.00 0.53 H new ATOM 944 N ASP A 63 -5.799 -7.071 1.724 1.00 0.39 N ATOM 945 CA ASP A 63 -6.593 -6.417 2.753 1.00 0.35 C ATOM 946 C ASP A 63 -5.651 -5.584 3.615 1.00 0.28 C ATOM 947 O ASP A 63 -5.824 -5.430 4.821 1.00 0.36 O ATOM 948 CB ASP A 63 -7.343 -7.450 3.598 1.00 0.53 C ATOM 949 CG ASP A 63 -8.437 -6.829 4.446 1.00 1.59 C ATOM 950 OD1 ASP A 63 -9.423 -6.325 3.873 1.00 2.41 O ATOM 951 OD2 ASP A 63 -8.324 -6.854 5.692 1.00 2.10 O ATOM 0 H ASP A 63 -5.491 -8.014 1.962 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.344 -5.773 2.296 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -7.781 -8.202 2.941 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -6.635 -7.966 4.246 1.00 0.53 H new ATOM 956 N GLY A 64 -4.634 -5.064 2.946 1.00 0.19 N ATOM 957 CA GLY A 64 -3.598 -4.282 3.589 1.00 0.17 C ATOM 958 C GLY A 64 -3.435 -2.959 2.878 1.00 0.14 C ATOM 959 O GLY A 64 -2.380 -2.337 2.897 1.00 0.20 O ATOM 0 H GLY A 64 -4.506 -5.174 1.940 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -3.854 -4.113 4.635 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.656 -4.830 3.576 1.00 0.17 H new ATOM 963 N CYS A 65 -4.493 -2.565 2.207 1.00 0.16 N ATOM 964 CA CYS A 65 -4.561 -1.291 1.522 1.00 0.19 C ATOM 965 C CYS A 65 -5.472 -0.388 2.312 1.00 0.20 C ATOM 966 O CYS A 65 -6.205 -0.851 3.169 1.00 0.28 O ATOM 967 CB CYS A 65 -5.145 -1.497 0.127 1.00 0.20 C ATOM 968 SG CYS A 65 -4.539 -2.982 -0.700 1.00 0.30 S ATOM 0 H CYS A 65 -5.341 -3.125 2.119 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.567 -0.852 1.434 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.231 -1.551 0.202 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -4.910 -0.628 -0.488 1.00 0.20 H new ATOM 0 HG CYS A 65 -5.122 -4.028 -0.195 1.00 0.30 H new ATOM 974 N VAL A 66 -5.424 0.885 2.038 1.00 0.23 N ATOM 975 CA VAL A 66 -6.374 1.804 2.615 1.00 0.20 C ATOM 976 C VAL A 66 -7.208 2.380 1.500 1.00 0.20 C ATOM 977 O VAL A 66 -6.735 2.535 0.379 1.00 0.25 O ATOM 978 CB VAL A 66 -5.670 2.917 3.415 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.446 3.390 2.673 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.587 4.089 3.701 1.00 0.20 C ATOM 0 H VAL A 66 -4.737 1.314 1.418 1.00 0.23 H new ATOM 0 HA VAL A 66 -7.013 1.273 3.321 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.378 2.491 4.375 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -3.955 4.177 3.246 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.758 2.556 2.538 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.739 3.780 1.698 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -6.044 4.846 4.267 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.934 4.518 2.761 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.444 3.747 4.282 1.00 0.20 H new ATOM 990 N ASP A 67 -8.447 2.659 1.799 1.00 0.18 N ATOM 991 CA ASP A 67 -9.370 3.152 0.797 1.00 0.23 C ATOM 992 C ASP A 67 -9.215 4.669 0.691 1.00 0.24 C ATOM 993 O ASP A 67 -8.137 5.189 0.983 1.00 0.26 O ATOM 994 CB ASP A 67 -10.785 2.739 1.174 1.00 0.29 C ATOM 995 CG ASP A 67 -11.703 2.659 -0.028 1.00 0.85 C ATOM 996 OD1 ASP A 67 -12.220 3.706 -0.461 1.00 1.04 O ATOM 997 OD2 ASP A 67 -11.899 1.539 -0.545 1.00 1.49 O ATOM 0 H ASP A 67 -8.848 2.555 2.731 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.155 2.724 -0.182 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -10.757 1.770 1.672 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -11.190 3.454 1.890 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.245 5.393 0.271 1.00 0.28 N ATOM 1003 CA ASP A 68 -10.128 6.855 0.220 1.00 0.32 C ATOM 1004 C ASP A 68 -10.060 7.419 1.628 1.00 0.33 C ATOM 1005 O ASP A 68 -9.438 8.439 1.857 1.00 0.73 O ATOM 1006 CB ASP A 68 -11.252 7.549 -0.573 1.00 0.45 C ATOM 1007 CG ASP A 68 -12.646 7.290 -0.036 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -12.956 7.765 1.071 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -13.421 6.571 -0.698 1.00 1.41 O ATOM 0 H ASP A 68 -11.143 5.015 -0.031 1.00 0.28 H new ATOM 0 HA ASP A 68 -9.205 7.065 -0.320 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -11.070 8.624 -0.574 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -11.207 7.217 -1.610 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.689 6.746 2.573 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.548 7.094 3.961 1.00 0.28 C ATOM 1016 C CYS A 69 -9.631 6.068 4.615 1.00 0.24 C ATOM 1017 O CYS A 69 -9.456 4.978 4.068 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.920 7.076 4.617 1.00 0.40 C ATOM 1019 SG CYS A 69 -13.252 6.483 3.549 1.00 1.49 S ATOM 0 H CYS A 69 -11.304 5.952 2.396 1.00 0.32 H new ATOM 0 HA CYS A 69 -10.120 8.090 4.073 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -11.876 6.446 5.506 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.162 8.084 4.953 1.00 0.40 H new ATOM 0 HG CYS A 69 -13.416 7.310 2.560 1.00 1.49 H new ATOM 1025 N GLY A 70 -9.053 6.395 5.770 1.00 0.25 N ATOM 1026 CA GLY A 70 -8.124 5.475 6.407 1.00 0.25 C ATOM 1027 C GLY A 70 -8.833 4.297 7.035 1.00 0.28 C ATOM 1028 O GLY A 70 -8.950 4.189 8.254 1.00 0.36 O ATOM 0 H GLY A 70 -9.209 7.270 6.271 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.407 5.115 5.669 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.556 6.005 7.171 1.00 0.25 H new ATOM 1032 N SER A 71 -9.296 3.424 6.169 1.00 0.25 N ATOM 1033 CA SER A 71 -9.839 2.141 6.527 1.00 0.28 C ATOM 1034 C SER A 71 -9.260 1.143 5.550 1.00 0.25 C ATOM 1035 O SER A 71 -9.132 1.453 4.363 1.00 0.24 O ATOM 1036 CB SER A 71 -11.360 2.170 6.433 1.00 0.34 C ATOM 1037 OG SER A 71 -11.900 3.166 7.287 1.00 1.10 O ATOM 0 H SER A 71 -9.303 3.597 5.164 1.00 0.25 H new ATOM 0 HA SER A 71 -9.585 1.872 7.552 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.661 2.365 5.404 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.764 1.195 6.704 1.00 0.34 H new ATOM 0 HG SER A 71 -12.877 3.168 7.210 1.00 1.10 H new ATOM 1043 N MET A 72 -8.875 -0.021 6.022 1.00 0.32 N ATOM 1044 CA MET A 72 -8.152 -0.935 5.168 1.00 0.30 C ATOM 1045 C MET A 72 -9.085 -1.672 4.226 1.00 0.30 C ATOM 1046 O MET A 72 -9.906 -2.494 4.639 1.00 0.46 O ATOM 1047 CB MET A 72 -7.309 -1.913 5.968 1.00 0.36 C ATOM 1048 CG MET A 72 -6.330 -1.231 6.909 1.00 0.85 C ATOM 1049 SD MET A 72 -5.344 -2.396 7.871 1.00 1.03 S ATOM 1050 CE MET A 72 -4.388 -1.264 8.880 1.00 1.68 C ATOM 0 H MET A 72 -9.045 -0.352 6.972 1.00 0.32 H new ATOM 0 HA MET A 72 -7.472 -0.332 4.566 1.00 0.30 H new ATOM 0 HB2 MET A 72 -7.967 -2.561 6.547 1.00 0.36 H new ATOM 0 HB3 MET A 72 -6.756 -2.553 5.280 1.00 0.36 H new ATOM 0 HG2 MET A 72 -5.664 -0.592 6.330 1.00 0.85 H new ATOM 0 HG3 MET A 72 -6.881 -0.582 7.590 1.00 0.85 H new ATOM 0 HE1 MET A 72 -3.764 -1.831 9.571 1.00 1.68 H new ATOM 0 HE2 MET A 72 -3.755 -0.651 8.239 1.00 1.68 H new ATOM 0 HE3 MET A 72 -5.063 -0.621 9.445 1.00 1.68 H new ATOM 1060 N THR A 73 -8.931 -1.362 2.956 1.00 0.21 N ATOM 1061 CA THR A 73 -9.748 -1.924 1.906 1.00 0.19 C ATOM 1062 C THR A 73 -8.982 -3.044 1.212 1.00 0.18 C ATOM 1063 O THR A 73 -7.747 -3.070 1.238 1.00 0.19 O ATOM 1064 CB THR A 73 -10.150 -0.831 0.894 1.00 0.21 C ATOM 1065 OG1 THR A 73 -11.091 -1.342 -0.057 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.930 -0.287 0.167 1.00 0.22 C ATOM 0 H THR A 73 -8.226 -0.705 2.622 1.00 0.21 H new ATOM 0 HA THR A 73 -10.660 -2.334 2.340 1.00 0.19 H new ATOM 0 HB THR A 73 -10.616 -0.019 1.452 1.00 0.21 H new ATOM 0 HG1 THR A 73 -11.589 -0.598 -0.457 1.00 0.26 H new ATOM 0 HG21 THR A 73 -9.241 0.482 -0.540 1.00 0.22 H new ATOM 0 HG22 THR A 73 -8.238 0.144 0.890 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.436 -1.096 -0.371 1.00 0.22 H new ATOM 1074 N SER A 74 -9.705 -3.975 0.612 1.00 0.27 N ATOM 1075 CA SER A 74 -9.083 -5.118 -0.016 1.00 0.30 C ATOM 1076 C SER A 74 -8.897 -4.889 -1.516 1.00 0.35 C ATOM 1077 O SER A 74 -9.868 -4.774 -2.266 1.00 0.47 O ATOM 1078 CB SER A 74 -9.926 -6.366 0.236 1.00 0.37 C ATOM 1079 OG SER A 74 -11.242 -6.204 -0.271 1.00 1.25 O ATOM 0 H SER A 74 -10.723 -3.958 0.549 1.00 0.27 H new ATOM 0 HA SER A 74 -8.095 -5.260 0.422 1.00 0.30 H new ATOM 0 HB2 SER A 74 -9.455 -7.228 -0.236 1.00 0.37 H new ATOM 0 HB3 SER A 74 -9.968 -6.571 1.306 1.00 0.37 H new ATOM 0 HG SER A 74 -11.206 -5.731 -1.129 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.645 -4.829 -1.937 1.00 0.30 N ATOM 1086 CA CYS A 75 -7.297 -4.637 -3.341 1.00 0.35 C ATOM 1087 C CYS A 75 -6.053 -5.448 -3.666 1.00 0.33 C ATOM 1088 O CYS A 75 -5.179 -5.602 -2.816 1.00 0.43 O ATOM 1089 CB CYS A 75 -7.066 -3.152 -3.620 1.00 0.39 C ATOM 1090 SG CYS A 75 -6.647 -2.761 -5.334 1.00 1.40 S ATOM 0 H CYS A 75 -6.839 -4.912 -1.318 1.00 0.30 H new ATOM 0 HA CYS A 75 -8.115 -4.980 -3.974 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -7.965 -2.601 -3.345 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -6.264 -2.795 -2.974 1.00 0.39 H new ATOM 0 HG CYS A 75 -6.476 -1.478 -5.457 1.00 1.40 H new ATOM 1096 N ARG A 76 -5.972 -5.976 -4.881 1.00 0.27 N ATOM 1097 CA ARG A 76 -4.929 -6.940 -5.208 1.00 0.26 C ATOM 1098 C ARG A 76 -3.545 -6.324 -5.239 1.00 0.22 C ATOM 1099 O ARG A 76 -3.304 -5.324 -5.911 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.206 -7.658 -6.511 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.123 -8.829 -6.314 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.537 -8.366 -6.132 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.242 -8.242 -7.404 1.00 1.01 N ATOM 1104 CZ ARG A 76 -9.463 -8.718 -7.632 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -10.152 -9.293 -6.654 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -10.000 -8.596 -8.835 1.00 1.87 N ATOM 0 H ARG A 76 -6.608 -5.757 -5.648 1.00 0.27 H new ATOM 0 HA ARG A 76 -4.947 -7.671 -4.399 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.651 -6.963 -7.222 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.267 -8.000 -6.945 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.061 -9.496 -7.174 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -5.807 -9.403 -5.443 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.068 -9.069 -5.490 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.540 -7.403 -5.621 1.00 0.79 H new ATOM 0 HE ARG A 76 -7.768 -7.759 -8.167 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -9.746 -9.372 -5.722 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -11.088 -9.656 -6.835 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -9.478 -8.139 -9.583 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -10.936 -8.959 -9.015 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.669 -6.915 -4.452 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.285 -6.514 -4.387 1.00 0.19 C ATOM 1122 C GLY A 77 -0.770 -6.767 -3.006 1.00 0.24 C ATOM 1123 O GLY A 77 -1.038 -5.992 -2.110 1.00 0.59 O ATOM 0 H GLY A 77 -2.903 -7.693 -3.836 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.697 -7.071 -5.116 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.187 -5.458 -4.638 1.00 0.19 H new ATOM 1127 N SER A 78 -0.088 -7.864 -2.799 1.00 0.20 N ATOM 1128 CA SER A 78 0.354 -8.196 -1.455 1.00 0.17 C ATOM 1129 C SER A 78 1.545 -9.117 -1.436 1.00 0.20 C ATOM 1130 O SER A 78 1.681 -10.009 -2.265 1.00 0.26 O ATOM 1131 CB SER A 78 -0.812 -8.799 -0.674 1.00 0.20 C ATOM 1132 OG SER A 78 -1.667 -7.784 -0.182 1.00 0.73 O ATOM 0 H SER A 78 0.173 -8.535 -3.522 1.00 0.20 H new ATOM 0 HA SER A 78 0.682 -7.272 -0.979 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.375 -9.475 -1.317 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.431 -9.393 0.156 1.00 0.20 H new ATOM 0 HG SER A 78 -1.564 -6.976 -0.727 1.00 0.73 H new ATOM 1138 N VAL A 79 2.406 -8.868 -0.467 1.00 0.18 N ATOM 1139 CA VAL A 79 3.643 -9.597 -0.328 1.00 0.20 C ATOM 1140 C VAL A 79 3.373 -11.065 -0.005 1.00 0.27 C ATOM 1141 O VAL A 79 3.025 -11.414 1.124 1.00 0.33 O ATOM 1142 CB VAL A 79 4.524 -8.947 0.755 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.758 -9.787 1.054 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.921 -7.544 0.317 1.00 0.25 C ATOM 0 H VAL A 79 2.263 -8.152 0.245 1.00 0.18 H new ATOM 0 HA VAL A 79 4.179 -9.558 -1.276 1.00 0.20 H new ATOM 0 HB VAL A 79 3.945 -8.886 1.677 1.00 0.23 H new ATOM 0 HG11 VAL A 79 6.355 -9.296 1.823 1.00 0.31 H new ATOM 0 HG12 VAL A 79 5.451 -10.772 1.406 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.353 -9.895 0.147 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.544 -7.086 1.085 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.479 -7.599 -0.618 1.00 0.25 H new ATOM 0 HG23 VAL A 79 4.025 -6.941 0.170 1.00 0.25 H new ATOM 1154 N SER A 80 3.501 -11.912 -1.021 1.00 0.33 N ATOM 1155 CA SER A 80 3.207 -13.328 -0.881 1.00 0.41 C ATOM 1156 C SER A 80 4.315 -14.041 -0.112 1.00 0.43 C ATOM 1157 O SER A 80 4.050 -14.792 0.831 1.00 0.97 O ATOM 1158 CB SER A 80 3.016 -13.956 -2.260 1.00 0.48 C ATOM 1159 OG SER A 80 4.092 -13.627 -3.127 1.00 0.96 O ATOM 0 H SER A 80 3.808 -11.637 -1.954 1.00 0.33 H new ATOM 0 HA SER A 80 2.284 -13.438 -0.312 1.00 0.41 H new ATOM 0 HB2 SER A 80 2.942 -15.039 -2.162 1.00 0.48 H new ATOM 0 HB3 SER A 80 2.077 -13.610 -2.693 1.00 0.48 H new ATOM 0 HG SER A 80 3.946 -14.043 -4.002 1.00 0.96 H new ATOM 1165 N GLY A 81 5.551 -13.800 -0.527 1.00 0.56 N ATOM 1166 CA GLY A 81 6.699 -14.369 0.146 1.00 0.58 C ATOM 1167 C GLY A 81 7.474 -13.313 0.889 1.00 0.56 C ATOM 1168 O GLY A 81 6.896 -12.509 1.613 1.00 0.86 O ATOM 0 H GLY A 81 5.779 -13.212 -1.329 1.00 0.56 H new ATOM 0 HA2 GLY A 81 6.370 -15.140 0.843 1.00 0.58 H new ATOM 0 HA3 GLY A 81 7.348 -14.854 -0.583 1.00 0.58 H new ATOM 1172 N PRO A 82 8.793 -13.313 0.744 1.00 0.46 N ATOM 1173 CA PRO A 82 9.664 -12.333 1.345 1.00 0.41 C ATOM 1174 C PRO A 82 9.904 -11.128 0.438 1.00 0.41 C ATOM 1175 O PRO A 82 10.456 -11.252 -0.657 1.00 0.57 O ATOM 1176 CB PRO A 82 10.963 -13.120 1.566 1.00 0.48 C ATOM 1177 CG PRO A 82 10.749 -14.450 0.907 1.00 0.61 C ATOM 1178 CD PRO A 82 9.556 -14.298 0.017 1.00 0.70 C ATOM 0 HA PRO A 82 9.244 -11.909 2.257 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.815 -12.599 1.129 1.00 0.48 H new ATOM 0 HB3 PRO A 82 11.173 -13.239 2.629 1.00 0.48 H new ATOM 0 HG2 PRO A 82 11.627 -14.743 0.332 1.00 0.61 H new ATOM 0 HG3 PRO A 82 10.581 -15.229 1.651 1.00 0.61 H new ATOM 0 HD2 PRO A 82 9.827 -13.955 -0.981 1.00 0.70 H new ATOM 0 HD3 PRO A 82 9.011 -15.234 -0.105 1.00 0.70 H new ATOM 1186 N SER A 83 9.508 -9.961 0.915 1.00 0.36 N ATOM 1187 CA SER A 83 9.674 -8.728 0.165 1.00 0.37 C ATOM 1188 C SER A 83 11.048 -8.128 0.439 1.00 0.35 C ATOM 1189 O SER A 83 11.264 -7.492 1.473 1.00 0.45 O ATOM 1190 CB SER A 83 8.573 -7.735 0.555 1.00 0.44 C ATOM 1191 OG SER A 83 8.601 -6.567 -0.247 1.00 1.45 O ATOM 0 H SER A 83 9.066 -9.841 1.826 1.00 0.36 H new ATOM 0 HA SER A 83 9.597 -8.944 -0.901 1.00 0.37 H new ATOM 0 HB2 SER A 83 7.600 -8.217 0.459 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.690 -7.458 1.603 1.00 0.44 H new ATOM 0 HG SER A 83 8.081 -5.859 0.188 1.00 1.45 H new ATOM 1197 N THR A 84 11.983 -8.350 -0.476 1.00 0.33 N ATOM 1198 CA THR A 84 13.319 -7.790 -0.350 1.00 0.34 C ATOM 1199 C THR A 84 13.287 -6.275 -0.486 1.00 0.23 C ATOM 1200 O THR A 84 13.720 -5.561 0.416 1.00 0.21 O ATOM 1201 CB THR A 84 14.264 -8.382 -1.398 1.00 0.46 C ATOM 1202 OG1 THR A 84 13.508 -9.153 -2.338 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.318 -9.254 -0.735 1.00 0.67 C ATOM 0 H THR A 84 11.839 -8.914 -1.313 1.00 0.33 H new ATOM 0 HA THR A 84 13.690 -8.048 0.642 1.00 0.34 H new ATOM 0 HB THR A 84 14.771 -7.569 -1.918 1.00 0.46 H new ATOM 0 HG1 THR A 84 13.199 -8.572 -3.064 1.00 0.91 H new ATOM 0 HG21 THR A 84 15.981 -9.666 -1.496 1.00 0.67 H new ATOM 0 HG22 THR A 84 15.899 -8.654 -0.035 1.00 0.67 H new ATOM 0 HG23 THR A 84 14.831 -10.068 -0.198 1.00 0.67 H new ATOM 1211 N SER A 85 12.769 -5.780 -1.604 1.00 0.21 N ATOM 1212 CA SER A 85 12.526 -4.361 -1.729 1.00 0.25 C ATOM 1213 C SER A 85 11.501 -3.944 -0.700 1.00 0.29 C ATOM 1214 O SER A 85 10.398 -4.490 -0.688 1.00 0.61 O ATOM 1215 CB SER A 85 11.970 -3.953 -3.101 1.00 0.50 C ATOM 1216 OG SER A 85 11.114 -2.841 -2.925 1.00 1.76 O ATOM 0 H SER A 85 12.515 -6.335 -2.421 1.00 0.21 H new ATOM 0 HA SER A 85 13.491 -3.874 -1.590 1.00 0.25 H new ATOM 0 HB2 SER A 85 12.784 -3.700 -3.780 1.00 0.50 H new ATOM 0 HB3 SER A 85 11.425 -4.783 -3.551 1.00 0.50 H new ATOM 0 HG SER A 85 11.529 -2.044 -3.315 1.00 1.76 H new ATOM 1222 N HIS A 86 11.858 -3.021 0.179 1.00 0.19 N ATOM 1223 CA HIS A 86 10.855 -2.380 1.004 1.00 0.20 C ATOM 1224 C HIS A 86 11.431 -1.289 1.879 1.00 0.20 C ATOM 1225 O HIS A 86 12.614 -1.294 2.219 1.00 0.25 O ATOM 1226 CB HIS A 86 10.103 -3.387 1.867 1.00 0.26 C ATOM 1227 CG HIS A 86 10.916 -4.004 2.971 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.657 -5.147 2.798 1.00 0.29 N ATOM 1229 CD2 HIS A 86 11.104 -3.631 4.259 1.00 0.50 C ATOM 1230 CE1 HIS A 86 12.267 -5.453 3.923 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.951 -4.548 4.832 1.00 0.44 N ATOM 0 H HIS A 86 12.815 -2.706 0.336 1.00 0.19 H new ATOM 0 HA HIS A 86 10.154 -1.918 0.309 1.00 0.20 H new ATOM 0 HB2 HIS A 86 9.237 -2.892 2.306 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.725 -4.183 1.225 1.00 0.26 H new ATOM 0 HD1 HIS A 86 11.724 -5.678 1.930 1.00 0.29 H new ATOM 0 HD2 HIS A 86 10.668 -2.771 4.746 1.00 0.50 H new ATOM 0 HE1 HIS A 86 12.917 -6.302 4.077 1.00 0.30 H new ATOM 1240 N LEU A 87 10.566 -0.363 2.242 1.00 0.19 N ATOM 1241 CA LEU A 87 10.884 0.661 3.216 1.00 0.19 C ATOM 1242 C LEU A 87 9.793 0.706 4.264 1.00 0.18 C ATOM 1243 O LEU A 87 8.642 1.016 3.956 1.00 0.18 O ATOM 1244 CB LEU A 87 11.034 2.026 2.547 1.00 0.21 C ATOM 1245 CG LEU A 87 12.265 2.157 1.643 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.875 2.048 0.180 1.00 0.38 C ATOM 1247 CD2 LEU A 87 13.015 3.451 1.921 1.00 0.58 C ATOM 0 H LEU A 87 9.619 -0.300 1.868 1.00 0.19 H new ATOM 0 HA LEU A 87 11.836 0.416 3.688 1.00 0.19 H new ATOM 0 HB2 LEU A 87 10.141 2.227 1.955 1.00 0.21 H new ATOM 0 HB3 LEU A 87 11.083 2.793 3.320 1.00 0.21 H new ATOM 0 HG LEU A 87 12.940 1.332 1.871 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.765 2.144 -0.442 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.408 1.080 -0.001 1.00 0.38 H new ATOM 0 HD13 LEU A 87 11.171 2.842 -0.069 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.883 3.516 1.265 1.00 0.58 H new ATOM 0 HD22 LEU A 87 12.356 4.300 1.737 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.344 3.465 2.960 1.00 0.58 H new ATOM 1259 N THR A 88 10.137 0.365 5.493 1.00 0.17 N ATOM 1260 CA THR A 88 9.161 0.351 6.561 1.00 0.15 C ATOM 1261 C THR A 88 8.946 1.747 7.086 1.00 0.18 C ATOM 1262 O THR A 88 9.650 2.202 7.988 1.00 0.22 O ATOM 1263 CB THR A 88 9.583 -0.557 7.726 1.00 0.17 C ATOM 1264 OG1 THR A 88 10.031 -1.821 7.222 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.433 -0.769 8.694 1.00 0.18 C ATOM 0 H THR A 88 11.080 0.096 5.773 1.00 0.17 H new ATOM 0 HA THR A 88 8.237 -0.044 6.139 1.00 0.15 H new ATOM 0 HB THR A 88 10.398 -0.069 8.261 1.00 0.17 H new ATOM 0 HG1 THR A 88 10.300 -2.394 7.970 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.758 -1.415 9.509 1.00 0.18 H new ATOM 0 HG22 THR A 88 8.115 0.192 9.098 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.599 -1.237 8.171 1.00 0.18 H new ATOM 1273 N ARG A 89 7.989 2.439 6.503 1.00 0.19 N ATOM 1274 CA ARG A 89 7.573 3.710 7.040 1.00 0.25 C ATOM 1275 C ARG A 89 6.074 3.656 7.313 1.00 0.20 C ATOM 1276 O ARG A 89 5.299 4.377 6.698 1.00 0.24 O ATOM 1277 CB ARG A 89 7.879 4.805 6.020 1.00 0.38 C ATOM 1278 CG ARG A 89 9.225 4.664 5.345 1.00 0.33 C ATOM 1279 CD ARG A 89 10.383 5.089 6.234 1.00 1.12 C ATOM 1280 NE ARG A 89 10.098 6.289 7.020 1.00 1.99 N ATOM 1281 CZ ARG A 89 10.939 7.323 7.128 1.00 2.70 C ATOM 1282 NH1 ARG A 89 12.091 7.325 6.464 1.00 2.77 N ATOM 1283 NH2 ARG A 89 10.631 8.350 7.909 1.00 3.65 N ATOM 0 H ARG A 89 7.490 2.143 5.664 1.00 0.19 H new ATOM 0 HA ARG A 89 8.105 3.926 7.967 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.100 4.803 5.257 1.00 0.38 H new ATOM 0 HB3 ARG A 89 7.835 5.773 6.519 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.367 3.626 5.044 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.234 5.264 4.435 1.00 0.33 H new ATOM 0 HD2 ARG A 89 10.632 4.271 6.910 1.00 1.12 H new ATOM 0 HD3 ARG A 89 11.261 5.269 5.614 1.00 1.12 H new ATOM 0 HE ARG A 89 9.207 6.340 7.514 1.00 1.99 H new ATOM 0 HH11 ARG A 89 12.337 6.535 5.868 1.00 2.77 H new ATOM 0 HH12 ARG A 89 12.728 8.117 6.551 1.00 2.77 H new ATOM 0 HH21 ARG A 89 9.753 8.351 8.427 1.00 3.65 H new ATOM 0 HH22 ARG A 89 11.273 9.139 7.991 1.00 3.65 H new ATOM 1297 N PRO A 90 5.652 2.837 8.288 1.00 0.15 N ATOM 1298 CA PRO A 90 4.236 2.641 8.587 1.00 0.14 C ATOM 1299 C PRO A 90 3.618 3.869 9.232 1.00 0.16 C ATOM 1300 O PRO A 90 2.452 4.191 8.992 1.00 0.25 O ATOM 1301 CB PRO A 90 4.211 1.425 9.522 1.00 0.13 C ATOM 1302 CG PRO A 90 5.594 0.854 9.488 1.00 0.14 C ATOM 1303 CD PRO A 90 6.506 1.978 9.111 1.00 0.15 C ATOM 0 HA PRO A 90 3.643 2.478 7.687 1.00 0.14 H new ATOM 0 HB2 PRO A 90 3.933 1.717 10.535 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.477 0.691 9.189 1.00 0.13 H new ATOM 0 HG2 PRO A 90 5.868 0.441 10.459 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.661 0.041 8.765 1.00 0.14 H new ATOM 0 HD2 PRO A 90 6.881 2.505 9.989 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.375 1.623 8.557 1.00 0.15 H new ATOM 1311 N SER A 91 4.410 4.551 10.041 1.00 0.16 N ATOM 1312 CA SER A 91 4.042 5.854 10.564 1.00 0.18 C ATOM 1313 C SER A 91 3.755 6.807 9.416 1.00 0.21 C ATOM 1314 O SER A 91 2.756 7.525 9.407 1.00 0.33 O ATOM 1315 CB SER A 91 5.206 6.412 11.366 1.00 0.27 C ATOM 1316 OG SER A 91 5.671 5.478 12.322 1.00 1.21 O ATOM 0 H SER A 91 5.323 4.218 10.352 1.00 0.16 H new ATOM 0 HA SER A 91 3.156 5.751 11.191 1.00 0.18 H new ATOM 0 HB2 SER A 91 6.019 6.679 10.691 1.00 0.27 H new ATOM 0 HB3 SER A 91 4.896 7.327 11.870 1.00 0.27 H new ATOM 0 HG SER A 91 6.421 5.866 12.820 1.00 1.21 H new ATOM 1322 N GLU A 92 4.647 6.767 8.441 1.00 0.17 N ATOM 1323 CA GLU A 92 4.658 7.709 7.339 1.00 0.20 C ATOM 1324 C GLU A 92 3.528 7.446 6.347 1.00 0.21 C ATOM 1325 O GLU A 92 2.880 8.381 5.891 1.00 0.33 O ATOM 1326 CB GLU A 92 6.011 7.649 6.643 1.00 0.30 C ATOM 1327 CG GLU A 92 7.125 8.376 7.381 1.00 0.99 C ATOM 1328 CD GLU A 92 7.506 7.702 8.684 1.00 1.98 C ATOM 1329 OE1 GLU A 92 7.943 6.536 8.651 1.00 2.78 O ATOM 1330 OE2 GLU A 92 7.345 8.331 9.750 1.00 2.37 O ATOM 0 H GLU A 92 5.391 6.071 8.393 1.00 0.17 H new ATOM 0 HA GLU A 92 4.495 8.709 7.742 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.296 6.605 6.516 1.00 0.30 H new ATOM 0 HB3 GLU A 92 5.913 8.076 5.645 1.00 0.30 H new ATOM 0 HG2 GLU A 92 8.003 8.434 6.737 1.00 0.99 H new ATOM 0 HG3 GLU A 92 6.811 9.400 7.585 1.00 0.99 H new ATOM 1337 N LEU A 93 3.294 6.183 6.000 1.00 0.17 N ATOM 1338 CA LEU A 93 2.160 5.840 5.140 1.00 0.18 C ATOM 1339 C LEU A 93 0.849 6.269 5.799 1.00 0.17 C ATOM 1340 O LEU A 93 0.054 7.001 5.218 1.00 0.19 O ATOM 1341 CB LEU A 93 2.104 4.333 4.842 1.00 0.19 C ATOM 1342 CG LEU A 93 2.955 3.813 3.669 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.744 4.661 2.432 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.430 3.755 4.019 1.00 0.33 C ATOM 0 H LEU A 93 3.863 5.390 6.295 1.00 0.17 H new ATOM 0 HA LEU A 93 2.296 6.372 4.198 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.409 3.800 5.742 1.00 0.19 H new ATOM 0 HB3 LEU A 93 1.065 4.066 4.649 1.00 0.19 H new ATOM 0 HG LEU A 93 2.623 2.796 3.461 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.356 4.274 1.617 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.693 4.629 2.144 1.00 0.15 H new ATOM 0 HD13 LEU A 93 3.031 5.691 2.644 1.00 0.15 H new ATOM 0 HD21 LEU A 93 4.993 3.383 3.163 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.782 4.754 4.278 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.577 3.087 4.868 1.00 0.33 H new ATOM 1356 N GLN A 94 0.662 5.863 7.043 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.579 6.131 7.764 1.00 0.18 C ATOM 1358 C GLN A 94 -0.702 7.633 8.001 1.00 0.18 C ATOM 1359 O GLN A 94 -1.780 8.152 8.293 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.557 5.368 9.084 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.911 5.160 9.751 1.00 0.36 C ATOM 1362 CD GLN A 94 -2.918 4.370 8.931 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -2.948 3.141 8.987 1.00 1.81 O ATOM 1364 NE2 GLN A 94 -3.783 5.063 8.205 1.00 0.34 N ATOM 0 H GLN A 94 1.356 5.343 7.581 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.441 5.800 7.184 1.00 0.18 H new ATOM 0 HB2 GLN A 94 -0.105 4.392 8.910 1.00 0.17 H new ATOM 0 HB3 GLN A 94 0.092 5.901 9.779 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.756 4.647 10.700 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -2.339 6.136 9.982 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -3.729 6.081 8.182 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -4.503 4.578 7.669 1.00 0.34 H new ATOM 1373 N ALA A 95 0.421 8.320 7.839 1.00 0.18 N ATOM 1374 CA ALA A 95 0.478 9.760 7.963 1.00 0.19 C ATOM 1375 C ALA A 95 -0.169 10.440 6.775 1.00 0.15 C ATOM 1376 O ALA A 95 -0.995 11.323 6.945 1.00 0.18 O ATOM 1377 CB ALA A 95 1.905 10.219 8.068 1.00 0.21 C ATOM 0 H ALA A 95 1.318 7.888 7.617 1.00 0.18 H new ATOM 0 HA ALA A 95 -0.067 10.032 8.867 1.00 0.19 H new ATOM 0 HB1 ALA A 95 1.932 11.305 8.161 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.369 9.768 8.945 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.451 9.918 7.174 1.00 0.21 H new ATOM 1383 N VAL A 96 0.222 10.037 5.570 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.372 10.585 4.367 1.00 0.12 C ATOM 1385 C VAL A 96 -1.801 10.110 4.270 1.00 0.11 C ATOM 1386 O VAL A 96 -2.642 10.782 3.724 1.00 0.11 O ATOM 1387 CB VAL A 96 0.410 10.241 3.068 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.548 9.280 3.334 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.509 9.665 2.009 1.00 0.16 C ATOM 0 H VAL A 96 0.945 9.336 5.406 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.331 11.671 4.450 1.00 0.12 H new ATOM 0 HB VAL A 96 0.831 11.177 2.700 1.00 0.14 H new ATOM 0 HG11 VAL A 96 2.069 9.065 2.401 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.244 9.728 4.043 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.152 8.353 3.750 1.00 0.19 H new ATOM 0 HG21 VAL A 96 0.068 9.435 1.113 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -0.973 8.754 2.386 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.284 10.392 1.765 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.085 8.954 4.818 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.456 8.560 4.971 1.00 0.11 C ATOM 1401 C ILE A 97 -4.177 9.618 5.783 1.00 0.12 C ATOM 1402 O ILE A 97 -5.121 10.225 5.311 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.574 7.195 5.649 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.211 6.101 4.662 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.970 6.975 6.191 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.577 4.900 5.315 1.00 0.16 C ATOM 0 H ILE A 97 -1.396 8.283 5.159 1.00 0.11 H new ATOM 0 HA ILE A 97 -3.911 8.470 3.985 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.881 7.165 6.490 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.110 5.786 4.132 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.526 6.505 3.917 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -5.025 5.996 6.668 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.202 7.749 6.923 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.689 7.021 5.373 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.342 4.155 4.555 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.661 5.203 5.822 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.269 4.472 6.040 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.670 9.874 6.977 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.240 10.885 7.859 1.00 0.17 C ATOM 1420 C ASP A 98 -4.283 12.257 7.180 1.00 0.17 C ATOM 1421 O ASP A 98 -5.294 12.961 7.230 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.411 10.984 9.137 1.00 0.21 C ATOM 1423 CG ASP A 98 -3.930 12.054 10.075 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -5.027 11.871 10.639 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -3.247 13.087 10.250 1.00 0.98 O ATOM 0 H ASP A 98 -2.858 9.392 7.363 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.260 10.584 8.097 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.418 10.021 9.648 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.374 11.201 8.880 1.00 0.21 H new ATOM 1430 N SER A 99 -3.182 12.609 6.530 1.00 0.15 N ATOM 1431 CA SER A 99 -3.005 13.930 5.943 1.00 0.16 C ATOM 1432 C SER A 99 -3.741 14.046 4.614 1.00 0.16 C ATOM 1433 O SER A 99 -4.584 14.927 4.432 1.00 0.20 O ATOM 1434 CB SER A 99 -1.515 14.210 5.758 1.00 0.18 C ATOM 1435 OG SER A 99 -1.292 15.394 5.007 1.00 0.70 O ATOM 0 H SER A 99 -2.386 11.986 6.395 1.00 0.15 H new ATOM 0 HA SER A 99 -3.430 14.672 6.619 1.00 0.16 H new ATOM 0 HB2 SER A 99 -1.038 14.303 6.734 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.046 13.365 5.253 1.00 0.18 H new ATOM 0 HG SER A 99 -0.328 15.543 4.910 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.425 13.152 3.691 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.059 13.130 2.377 1.00 0.16 C ATOM 1443 C ASP A 100 -5.530 12.738 2.474 1.00 0.16 C ATOM 1444 O ASP A 100 -6.250 12.840 1.503 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.307 12.221 1.404 1.00 0.17 C ATOM 1446 CG ASP A 100 -1.943 12.768 1.029 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -1.092 12.922 1.927 1.00 0.57 O ATOM 1448 OD2 ASP A 100 -1.717 13.068 -0.166 1.00 0.72 O ATOM 0 H ASP A 100 -2.725 12.423 3.828 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.013 14.144 1.980 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -3.188 11.235 1.853 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -3.903 12.090 0.501 1.00 0.17 H new ATOM 1453 N LYS A 101 -5.983 12.282 3.638 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.422 12.126 3.884 1.00 0.16 C ATOM 1455 C LYS A 101 -8.142 13.459 3.661 1.00 0.20 C ATOM 1456 O LYS A 101 -9.339 13.501 3.394 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.671 11.673 5.315 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.229 10.267 5.460 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.590 9.545 6.627 1.00 0.17 C ATOM 1460 CE LYS A 101 -7.910 10.217 7.949 1.00 0.26 C ATOM 1461 NZ LYS A 101 -9.258 9.865 8.462 1.00 1.26 N ATOM 0 H LYS A 101 -5.386 12.015 4.421 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.804 11.376 3.191 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.733 11.733 5.867 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.363 12.372 5.785 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.308 10.314 5.604 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -8.054 9.706 4.542 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.938 8.512 6.650 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.509 9.514 6.487 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -7.160 9.933 8.687 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -7.844 11.298 7.827 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -9.423 10.351 9.366 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -9.979 10.160 7.773 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -9.317 8.837 8.606 1.00 1.26 H new ATOM 1475 N SER A 102 -7.406 14.553 3.808 1.00 0.23 N ATOM 1476 CA SER A 102 -7.939 15.876 3.508 1.00 0.28 C ATOM 1477 C SER A 102 -8.085 16.033 1.994 1.00 0.30 C ATOM 1478 O SER A 102 -8.847 16.863 1.505 1.00 0.38 O ATOM 1479 CB SER A 102 -7.016 16.956 4.076 1.00 0.36 C ATOM 1480 OG SER A 102 -7.614 18.239 4.007 1.00 1.23 O ATOM 0 H SER A 102 -6.439 14.551 4.133 1.00 0.23 H new ATOM 0 HA SER A 102 -8.919 15.987 3.972 1.00 0.28 H new ATOM 0 HB2 SER A 102 -6.774 16.721 5.113 1.00 0.36 H new ATOM 0 HB3 SER A 102 -6.077 16.961 3.523 1.00 0.36 H new ATOM 0 HG SER A 102 -7.000 18.906 4.379 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.346 15.207 1.268 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.399 15.160 -0.184 1.00 0.29 C ATOM 1488 C ASN A 103 -8.471 14.156 -0.617 1.00 0.28 C ATOM 1489 O ASN A 103 -9.194 14.377 -1.590 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.010 14.781 -0.739 1.00 0.33 C ATOM 1491 CG ASN A 103 -5.905 14.891 -2.256 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -6.883 14.736 -2.982 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -4.702 15.146 -2.748 1.00 0.93 N ATOM 0 H ASN A 103 -6.686 14.544 1.675 1.00 0.27 H new ATOM 0 HA ASN A 103 -7.665 16.138 -0.585 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.258 15.426 -0.284 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -5.776 13.759 -0.441 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -4.568 15.219 -3.757 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -3.909 15.270 -2.118 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.597 13.069 0.142 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.595 12.043 -0.123 1.00 0.22 C ATOM 1502 C TYR A 104 -10.051 11.465 1.190 1.00 0.21 C ATOM 1503 O TYR A 104 -9.246 10.965 1.962 1.00 0.20 O ATOM 1504 CB TYR A 104 -9.036 10.882 -0.963 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.684 11.150 -1.574 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.548 11.227 -0.790 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.552 11.328 -2.942 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.313 11.474 -1.350 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.325 11.570 -3.515 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.188 11.645 -2.681 1.00 0.22 C ATOM 1511 OH TYR A 104 -3.974 11.882 -3.280 1.00 0.30 O ATOM 0 H TYR A 104 -8.011 12.878 0.955 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.407 12.515 -0.676 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.967 9.995 -0.334 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.743 10.653 -1.761 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.629 11.091 0.278 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.429 11.276 -3.570 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.439 11.531 -0.718 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.233 11.700 -4.583 1.00 0.27 H new ATOM 0 HH TYR A 104 -4.118 12.225 -4.187 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.318 11.609 1.460 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.974 10.885 2.524 1.00 0.31 C ATOM 1523 C CYS A 105 -13.477 10.990 2.369 1.00 0.45 C ATOM 1524 O CYS A 105 -14.021 12.092 2.270 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.532 11.410 3.887 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.659 11.010 5.248 1.00 0.38 S ATOM 0 H CYS A 105 -11.935 12.237 0.945 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.689 9.835 2.462 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.547 11.004 4.117 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.424 12.493 3.828 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.190 11.499 6.358 1.00 0.38 H new