USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 717 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 48 HIS : no HD1:sc= -0.0758 K(o=-0.46,f=-5.5!) USER MOD Set 1.2: A 82 THR OG1 : rot 160:sc= -0.382 USER MOD Set 2.1: A 60 GLN : amide:sc= 0.766 K(o=3,f=-15!) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -149:sc= 2.26 (180deg=-2.5!) USER MOD Set 3.1: A 75 SER OG : rot -114:sc= 1.2 USER MOD Set 3.2: A 77 SER OG : rot 180:sc= -0.0904 USER MOD Set 3.3: A 79 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 4.1: A 71 ASN : amide:sc= 2.08 K(o=2.1,f=0.45) USER MOD Set 4.2: A 73 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 62 LYS NZ :NH3+ 180:sc= 1.3 (180deg=0) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 1.12 USER MOD Set 6.1: A 61 LYS NZ :NH3+ 180:sc= 1.25 (180deg=0) USER MOD Set 6.2: A 74 GLN : amide:sc= 1.05 K(o=2.3,f=-7.5!) USER MOD Set 7.1: A 34 LYS NZ :NH3+ -174:sc= 1.18 (180deg=0) USER MOD Set 7.2: A 37 GLN : amide:sc= 0.965 K(o=2.1,f=-7.1!) USER MOD Set 8.1: A 30 MET CE :methyl -171:sc= -0.174 (180deg=-0.0585) USER MOD Set 8.2: A 44 ASN : amide:sc= 1.12 K(o=0.95,f=-1.4) USER MOD Set 9.1: A 7 LYS NZ :NH3+ -167:sc= 1.3 (180deg=0) USER MOD Set 9.2: A 11 GLN : amide:sc= 1.24 K(o=2.5,f=-8.3!) USER MOD Set 9.3: A 35 MET CE :methyl 166:sc=-0.00781 (180deg=-0.0881) USER MOD Single : A 3 SER OG : rot 29:sc= 0.46 USER MOD Single : A 12 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-5.7!) USER MOD Single : A 13 MET CE :methyl 174:sc= -0.391 (180deg=-0.611) USER MOD Single : A 15 SER OG : rot -34:sc= 0.449 USER MOD Single : A 22 SER OG : rot -33:sc= 0.454 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 2.51 K(o=2.5,f=-5.3!) USER MOD Single : A 29 MET CE :methyl -146:sc= -0.0838 (180deg=-0.696) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0.877 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0246) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= 2.34 (180deg=-0.211) USER MOD Single : A 45 THR OG1 : rot -52:sc= 1.24 USER MOD Single : A 50 SER OG : rot 85:sc= 1.3 USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= 0.157 (180deg=-0.998) USER MOD Single : A 59 SER OG : rot -76:sc= 0.581 USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 0.644 (180deg=0.502) USER MOD Single : A 69 GLN : amide:sc= 0.558 K(o=0.56,f=-0.082) USER MOD Single : A 70 THR OG1 : rot -17:sc= 1.68 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 90 SER OG : rot -133:sc= 1.62 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 97 TYR OH : rot 95:sc= 1.89 USER MOD Single : A 98 LYS NZ :NH3+ 164:sc= 1.3 (180deg=0.862) USER MOD Single : A 99 THR OG1 : rot 79:sc= -0.224 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0988 K(o=-0.099,f=-3.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.207 K(o=-0.21,f=-3!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -64:sc= 1.01 USER MOD Single : A 119 HIS : no HE2:sc= -0.152 K(o=-0.15,f=-3.4!) USER MOD Single : A 123 SER OG : rot 18:sc= 0.242 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 2.482 12.613 11.976 1.00 0.00 N ATOM 32 CA SER A 3 3.016 13.424 10.888 1.00 0.00 C ATOM 33 C SER A 3 2.539 12.905 9.526 1.00 0.00 C ATOM 34 O SER A 3 3.322 12.896 8.579 1.00 0.00 O ATOM 35 CB SER A 3 4.544 13.415 10.976 1.00 0.00 C ATOM 36 OG SER A 3 4.952 13.538 12.325 1.00 0.00 O ATOM 0 HA SER A 3 2.651 14.447 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.935 12.490 10.552 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.955 14.235 10.387 1.00 0.00 H new ATOM 0 HG SER A 3 4.269 13.148 12.910 1.00 0.00 H new ATOM 41 N ALA A 4 1.289 12.427 9.440 1.00 0.00 N ATOM 42 CA ALA A 4 0.700 11.697 8.316 1.00 0.00 C ATOM 43 C ALA A 4 1.411 10.366 8.037 1.00 0.00 C ATOM 44 O ALA A 4 0.790 9.304 8.111 1.00 0.00 O ATOM 45 CB ALA A 4 0.623 12.587 7.071 1.00 0.00 C ATOM 0 H ALA A 4 0.624 12.549 10.203 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.319 11.432 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.182 12.024 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.006 13.460 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.626 12.911 6.793 1.00 0.00 H new ATOM 51 N ALA A 5 2.705 10.425 7.713 1.00 0.00 N ATOM 52 CA ALA A 5 3.559 9.313 7.332 1.00 0.00 C ATOM 53 C ALA A 5 3.333 8.076 8.189 1.00 0.00 C ATOM 54 O ALA A 5 3.008 7.026 7.652 1.00 0.00 O ATOM 55 CB ALA A 5 5.021 9.750 7.389 1.00 0.00 C ATOM 0 H ALA A 5 3.210 11.311 7.712 1.00 0.00 H new ATOM 0 HA ALA A 5 3.298 9.031 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.662 8.916 7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.179 10.581 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.267 10.066 8.403 1.00 0.00 H new ATOM 61 N ALA A 6 3.484 8.194 9.509 1.00 0.00 N ATOM 62 CA ALA A 6 3.342 7.061 10.417 1.00 0.00 C ATOM 63 C ALA A 6 2.013 6.330 10.195 1.00 0.00 C ATOM 64 O ALA A 6 1.969 5.108 10.091 1.00 0.00 O ATOM 65 CB ALA A 6 3.468 7.546 11.863 1.00 0.00 C ATOM 0 H ALA A 6 3.707 9.074 9.974 1.00 0.00 H new ATOM 0 HA ALA A 6 4.139 6.346 10.211 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.362 6.699 12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.445 8.007 12.008 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.687 8.277 12.071 1.00 0.00 H new ATOM 71 N LYS A 7 0.917 7.083 10.116 1.00 0.00 N ATOM 72 CA LYS A 7 -0.410 6.528 9.920 1.00 0.00 C ATOM 73 C LYS A 7 -0.519 5.922 8.523 1.00 0.00 C ATOM 74 O LYS A 7 -0.968 4.787 8.390 1.00 0.00 O ATOM 75 CB LYS A 7 -1.427 7.638 10.212 1.00 0.00 C ATOM 76 CG LYS A 7 -2.877 7.375 9.789 1.00 0.00 C ATOM 77 CD LYS A 7 -3.136 7.882 8.362 1.00 0.00 C ATOM 78 CE LYS A 7 -4.638 8.074 8.122 1.00 0.00 C ATOM 79 NZ LYS A 7 -4.924 8.272 6.688 1.00 0.00 N ATOM 0 H LYS A 7 0.931 8.100 10.187 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.618 5.705 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.416 7.835 11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.088 8.548 9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.087 6.307 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.557 7.869 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.614 8.826 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.735 7.172 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.182 7.204 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.993 8.934 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.899 8.615 6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.262 8.971 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.813 7.369 6.184 1.00 0.00 H new ATOM 89 N PHE A 8 -0.104 6.654 7.483 1.00 0.00 N ATOM 90 CA PHE A 8 -0.030 6.122 6.121 1.00 0.00 C ATOM 91 C PHE A 8 0.671 4.755 6.128 1.00 0.00 C ATOM 92 O PHE A 8 0.128 3.774 5.621 1.00 0.00 O ATOM 93 CB PHE A 8 0.663 7.127 5.188 1.00 0.00 C ATOM 94 CG PHE A 8 1.491 6.492 4.087 1.00 0.00 C ATOM 95 CD1 PHE A 8 0.873 5.824 3.013 1.00 0.00 C ATOM 96 CD2 PHE A 8 2.879 6.365 4.274 1.00 0.00 C ATOM 97 CE1 PHE A 8 1.655 5.109 2.086 1.00 0.00 C ATOM 98 CE2 PHE A 8 3.655 5.641 3.360 1.00 0.00 C ATOM 99 CZ PHE A 8 3.051 5.060 2.238 1.00 0.00 C ATOM 0 H PHE A 8 0.189 7.628 7.563 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.038 5.972 5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.095 7.765 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.308 7.773 5.784 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.200 5.860 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.350 6.829 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.183 4.599 1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.717 5.531 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.659 4.574 1.489 1.00 0.00 H new ATOM 108 N GLU A 9 1.854 4.685 6.738 1.00 0.00 N ATOM 109 CA GLU A 9 2.604 3.458 6.905 1.00 0.00 C ATOM 110 C GLU A 9 1.747 2.415 7.588 1.00 0.00 C ATOM 111 O GLU A 9 1.588 1.325 7.054 1.00 0.00 O ATOM 112 CB GLU A 9 3.889 3.699 7.703 1.00 0.00 C ATOM 113 CG GLU A 9 4.996 4.033 6.706 1.00 0.00 C ATOM 114 CD GLU A 9 6.307 4.436 7.352 1.00 0.00 C ATOM 115 OE1 GLU A 9 6.298 5.175 8.364 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.369 4.092 6.786 1.00 0.00 O ATOM 0 H GLU A 9 2.320 5.501 7.135 1.00 0.00 H new ATOM 0 HA GLU A 9 2.887 3.094 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.752 4.516 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.151 2.814 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.169 3.167 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.657 4.843 6.060 1.00 0.00 H new ATOM 121 N ARG A 10 1.172 2.725 8.746 1.00 0.00 N ATOM 122 CA ARG A 10 0.386 1.717 9.433 1.00 0.00 C ATOM 123 C ARG A 10 -0.840 1.272 8.617 1.00 0.00 C ATOM 124 O ARG A 10 -1.341 0.173 8.832 1.00 0.00 O ATOM 125 CB ARG A 10 -0.021 2.187 10.835 1.00 0.00 C ATOM 126 CG ARG A 10 1.166 2.385 11.787 1.00 0.00 C ATOM 127 CD ARG A 10 1.905 1.082 12.111 1.00 0.00 C ATOM 128 NE ARG A 10 2.976 1.337 13.083 1.00 0.00 N ATOM 129 CZ ARG A 10 3.863 0.418 13.501 1.00 0.00 C ATOM 130 NH1 ARG A 10 3.800 -0.833 13.028 1.00 0.00 N ATOM 131 NH2 ARG A 10 4.805 0.752 14.390 1.00 0.00 N ATOM 0 H ARG A 10 1.233 3.631 9.211 1.00 0.00 H new ATOM 0 HA ARG A 10 1.026 0.842 9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.568 3.126 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.706 1.458 11.269 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.867 3.091 11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.809 2.833 12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.206 0.349 12.513 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.324 0.656 11.199 1.00 0.00 H new ATOM 0 HE ARG A 10 3.052 2.278 13.468 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.080 -1.087 12.352 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.472 -1.532 13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.850 1.705 14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.478 0.054 14.707 1.00 0.00 H new ATOM 142 N GLN A 11 -1.330 2.110 7.697 1.00 0.00 N ATOM 143 CA GLN A 11 -2.376 1.737 6.751 1.00 0.00 C ATOM 144 C GLN A 11 -1.834 0.968 5.536 1.00 0.00 C ATOM 145 O GLN A 11 -2.640 0.453 4.767 1.00 0.00 O ATOM 146 CB GLN A 11 -3.119 2.986 6.252 1.00 0.00 C ATOM 147 CG GLN A 11 -3.918 3.702 7.344 1.00 0.00 C ATOM 148 CD GLN A 11 -4.757 4.834 6.753 1.00 0.00 C ATOM 149 OE1 GLN A 11 -4.250 5.742 6.095 1.00 0.00 O ATOM 150 NE2 GLN A 11 -6.063 4.825 6.991 1.00 0.00 N ATOM 0 H GLN A 11 -1.007 3.072 7.591 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.055 1.079 7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.396 3.682 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.796 2.698 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.568 2.989 7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.237 4.103 8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.477 4.069 7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.653 5.574 6.628 1.00 0.00 H new ATOM 157 N HIS A 12 -0.518 0.928 5.301 1.00 0.00 N ATOM 158 CA HIS A 12 0.050 0.454 4.041 1.00 0.00 C ATOM 159 C HIS A 12 1.272 -0.454 4.237 1.00 0.00 C ATOM 160 O HIS A 12 1.266 -1.595 3.786 1.00 0.00 O ATOM 161 CB HIS A 12 0.360 1.685 3.179 1.00 0.00 C ATOM 162 CG HIS A 12 0.745 1.363 1.761 1.00 0.00 C ATOM 163 ND1 HIS A 12 2.027 1.128 1.303 1.00 0.00 N ATOM 164 CD2 HIS A 12 -0.119 1.238 0.707 1.00 0.00 C ATOM 165 CE1 HIS A 12 1.941 0.841 -0.009 1.00 0.00 C ATOM 166 NE2 HIS A 12 0.652 0.913 -0.392 1.00 0.00 N ATOM 0 H HIS A 12 0.181 1.224 5.982 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.674 -0.182 3.532 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.514 2.336 3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.170 2.247 3.645 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.191 1.368 0.730 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.773 0.593 -0.652 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.303 0.754 -1.337 1.00 0.00 H new ATOM 174 N MET A 13 2.336 0.016 4.890 1.00 0.00 N ATOM 175 CA MET A 13 3.461 -0.834 5.274 1.00 0.00 C ATOM 176 C MET A 13 3.066 -1.690 6.489 1.00 0.00 C ATOM 177 O MET A 13 3.513 -1.473 7.614 1.00 0.00 O ATOM 178 CB MET A 13 4.731 0.019 5.448 1.00 0.00 C ATOM 179 CG MET A 13 5.952 -0.741 5.997 1.00 0.00 C ATOM 180 SD MET A 13 6.301 -2.404 5.359 1.00 0.00 S ATOM 181 CE MET A 13 7.571 -2.102 4.110 1.00 0.00 C ATOM 0 H MET A 13 2.441 0.992 5.166 1.00 0.00 H new ATOM 0 HA MET A 13 3.709 -1.546 4.487 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.995 0.453 4.483 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.505 0.848 6.119 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.833 -0.126 5.816 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.834 -0.819 7.078 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.939 -3.054 3.728 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.145 -1.522 3.291 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.396 -1.547 4.557 1.00 0.00 H new ATOM 189 N ASP A 14 2.226 -2.695 6.231 1.00 0.00 N ATOM 190 CA ASP A 14 1.792 -3.689 7.209 1.00 0.00 C ATOM 191 C ASP A 14 3.006 -4.321 7.902 1.00 0.00 C ATOM 192 O ASP A 14 3.098 -4.345 9.127 1.00 0.00 O ATOM 193 CB ASP A 14 0.921 -4.722 6.482 1.00 0.00 C ATOM 194 CG ASP A 14 0.251 -5.715 7.422 1.00 0.00 C ATOM 195 OD1 ASP A 14 0.183 -5.438 8.634 1.00 0.00 O ATOM 196 OD2 ASP A 14 -0.188 -6.758 6.884 1.00 0.00 O ATOM 0 H ASP A 14 1.818 -2.842 5.308 1.00 0.00 H new ATOM 0 HA ASP A 14 1.198 -3.228 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.154 -4.201 5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.537 -5.268 5.768 1.00 0.00 H new ATOM 200 N SER A 15 3.987 -4.724 7.085 1.00 0.00 N ATOM 201 CA SER A 15 5.348 -5.132 7.447 1.00 0.00 C ATOM 202 C SER A 15 5.520 -6.644 7.633 1.00 0.00 C ATOM 203 O SER A 15 4.552 -7.387 7.780 1.00 0.00 O ATOM 204 CB SER A 15 5.898 -4.357 8.662 1.00 0.00 C ATOM 205 OG SER A 15 5.724 -2.958 8.530 1.00 0.00 O ATOM 0 H SER A 15 3.837 -4.777 6.077 1.00 0.00 H new ATOM 0 HA SER A 15 5.950 -4.863 6.579 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.396 -4.700 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.958 -4.579 8.782 1.00 0.00 H new ATOM 0 HG SER A 15 5.818 -2.704 7.588 1.00 0.00 H new ATOM 270 N SER A 22 -2.902 -14.984 2.717 1.00 0.00 N ATOM 271 CA SER A 22 -3.451 -13.895 1.924 1.00 0.00 C ATOM 272 C SER A 22 -4.508 -13.161 2.749 1.00 0.00 C ATOM 273 O SER A 22 -4.263 -12.085 3.295 1.00 0.00 O ATOM 274 CB SER A 22 -4.035 -14.353 0.573 1.00 0.00 C ATOM 275 OG SER A 22 -4.871 -15.482 0.730 1.00 0.00 O ATOM 0 HA SER A 22 -2.629 -13.224 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.602 -13.537 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.223 -14.592 -0.114 1.00 0.00 H new ATOM 0 HG SER A 22 -4.532 -16.041 1.460 1.00 0.00 H new ATOM 280 N SER A 23 -5.696 -13.760 2.816 1.00 0.00 N ATOM 281 CA SER A 23 -6.856 -13.264 3.540 1.00 0.00 C ATOM 282 C SER A 23 -6.498 -12.857 4.969 1.00 0.00 C ATOM 283 O SER A 23 -6.954 -11.814 5.443 1.00 0.00 O ATOM 284 CB SER A 23 -7.936 -14.349 3.527 1.00 0.00 C ATOM 285 OG SER A 23 -7.326 -15.607 3.758 1.00 0.00 O ATOM 0 H SER A 23 -5.880 -14.645 2.344 1.00 0.00 H new ATOM 0 HA SER A 23 -7.230 -12.366 3.048 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.683 -14.146 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.455 -14.352 2.569 1.00 0.00 H new ATOM 0 HG SER A 23 -8.011 -16.308 3.753 1.00 0.00 H new ATOM 290 N ASN A 24 -5.703 -13.678 5.662 1.00 0.00 N ATOM 291 CA ASN A 24 -5.393 -13.435 7.064 1.00 0.00 C ATOM 292 C ASN A 24 -4.842 -12.030 7.266 1.00 0.00 C ATOM 293 O ASN A 24 -5.488 -11.234 7.941 1.00 0.00 O ATOM 294 CB ASN A 24 -4.466 -14.494 7.664 1.00 0.00 C ATOM 295 CG ASN A 24 -5.047 -15.901 7.569 1.00 0.00 C ATOM 296 OD1 ASN A 24 -4.889 -16.575 6.554 1.00 0.00 O ATOM 297 ND2 ASN A 24 -5.722 -16.365 8.616 1.00 0.00 N ATOM 0 H ASN A 24 -5.266 -14.513 5.272 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.333 -13.514 7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.506 -14.465 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.274 -14.254 8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.124 -17.302 8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.838 -15.784 9.446 1.00 0.00 H new ATOM 303 N TYR A 25 -3.692 -11.702 6.665 1.00 0.00 N ATOM 304 CA TYR A 25 -3.104 -10.372 6.821 1.00 0.00 C ATOM 305 C TYR A 25 -4.145 -9.306 6.484 1.00 0.00 C ATOM 306 O TYR A 25 -4.313 -8.339 7.221 1.00 0.00 O ATOM 307 CB TYR A 25 -1.885 -10.150 5.911 1.00 0.00 C ATOM 308 CG TYR A 25 -1.013 -11.350 5.615 1.00 0.00 C ATOM 309 CD1 TYR A 25 -0.106 -11.838 6.573 1.00 0.00 C ATOM 310 CD2 TYR A 25 -1.017 -11.886 4.319 1.00 0.00 C ATOM 311 CE1 TYR A 25 0.792 -12.865 6.229 1.00 0.00 C ATOM 312 CE2 TYR A 25 -0.126 -12.911 3.976 1.00 0.00 C ATOM 313 CZ TYR A 25 0.783 -13.400 4.928 1.00 0.00 C ATOM 314 OH TYR A 25 1.601 -14.438 4.604 1.00 0.00 O ATOM 0 H TYR A 25 -3.156 -12.335 6.072 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.776 -10.296 7.858 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.241 -9.749 4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.259 -9.382 6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.099 -11.425 7.571 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.710 -11.507 3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.488 -13.242 6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.138 -13.325 2.979 1.00 0.00 H new ATOM 0 HH TYR A 25 1.464 -14.682 3.665 1.00 0.00 H new ATOM 323 N CYS A 26 -4.833 -9.520 5.357 1.00 0.00 N ATOM 324 CA CYS A 26 -5.786 -8.586 4.770 1.00 0.00 C ATOM 325 C CYS A 26 -6.769 -8.112 5.840 1.00 0.00 C ATOM 326 O CYS A 26 -6.882 -6.921 6.134 1.00 0.00 O ATOM 327 CB CYS A 26 -6.551 -9.272 3.632 1.00 0.00 C ATOM 328 SG CYS A 26 -6.407 -8.623 1.956 1.00 0.00 S ATOM 0 H CYS A 26 -4.735 -10.378 4.814 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.247 -7.727 4.372 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.236 -10.315 3.608 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.608 -9.264 3.897 1.00 0.00 H new ATOM 332 N ASN A 27 -7.491 -9.075 6.415 1.00 0.00 N ATOM 333 CA ASN A 27 -8.543 -8.795 7.380 1.00 0.00 C ATOM 334 C ASN A 27 -7.916 -8.395 8.716 1.00 0.00 C ATOM 335 O ASN A 27 -8.396 -7.471 9.371 1.00 0.00 O ATOM 336 CB ASN A 27 -9.490 -9.998 7.528 1.00 0.00 C ATOM 337 CG ASN A 27 -10.227 -10.327 6.225 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.313 -9.820 5.954 1.00 0.00 O ATOM 339 ND2 ASN A 27 -9.634 -11.164 5.380 1.00 0.00 N ATOM 0 H ASN A 27 -7.359 -10.068 6.222 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.148 -7.962 7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.919 -10.869 7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.219 -9.789 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.080 -11.394 4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.732 -11.577 5.619 1.00 0.00 H new ATOM 345 N LEU A 28 -6.838 -9.079 9.118 1.00 0.00 N ATOM 346 CA LEU A 28 -6.155 -8.848 10.384 1.00 0.00 C ATOM 347 C LEU A 28 -5.749 -7.385 10.504 1.00 0.00 C ATOM 348 O LEU A 28 -6.137 -6.725 11.463 1.00 0.00 O ATOM 349 CB LEU A 28 -4.942 -9.784 10.522 1.00 0.00 C ATOM 350 CG LEU A 28 -4.282 -9.876 11.911 1.00 0.00 C ATOM 351 CD1 LEU A 28 -3.468 -8.636 12.298 1.00 0.00 C ATOM 352 CD2 LEU A 28 -5.289 -10.219 13.015 1.00 0.00 C ATOM 0 H LEU A 28 -6.414 -9.819 8.559 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.839 -9.074 11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.253 -10.786 10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.184 -9.463 9.808 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.574 -10.700 11.820 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.036 -8.779 13.288 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.669 -8.484 11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.119 -7.762 12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.774 -10.272 13.974 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.058 -9.448 13.058 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.752 -11.182 12.799 1.00 0.00 H new ATOM 363 N MET A 29 -4.980 -6.865 9.545 1.00 0.00 N ATOM 364 CA MET A 29 -4.526 -5.481 9.595 1.00 0.00 C ATOM 365 C MET A 29 -5.732 -4.542 9.649 1.00 0.00 C ATOM 366 O MET A 29 -5.775 -3.631 10.476 1.00 0.00 O ATOM 367 CB MET A 29 -3.656 -5.139 8.384 1.00 0.00 C ATOM 368 CG MET A 29 -2.830 -3.864 8.618 1.00 0.00 C ATOM 369 SD MET A 29 -2.219 -3.042 7.123 1.00 0.00 S ATOM 370 CE MET A 29 -3.748 -2.299 6.513 1.00 0.00 C ATOM 0 H MET A 29 -4.661 -7.384 8.727 1.00 0.00 H new ATOM 0 HA MET A 29 -3.922 -5.354 10.493 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.986 -5.972 8.170 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.289 -5.006 7.507 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.440 -3.155 9.177 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.976 -4.116 9.247 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.741 -2.295 5.423 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.601 -2.878 6.868 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.826 -1.275 6.879 1.00 0.00 H new ATOM 378 N MET A 30 -6.710 -4.756 8.761 1.00 0.00 N ATOM 379 CA MET A 30 -7.879 -3.891 8.697 1.00 0.00 C ATOM 380 C MET A 30 -8.596 -3.841 10.049 1.00 0.00 C ATOM 381 O MET A 30 -8.983 -2.765 10.502 1.00 0.00 O ATOM 382 CB MET A 30 -8.808 -4.342 7.565 1.00 0.00 C ATOM 383 CG MET A 30 -8.202 -3.933 6.222 1.00 0.00 C ATOM 384 SD MET A 30 -8.305 -2.160 5.861 1.00 0.00 S ATOM 385 CE MET A 30 -7.443 -2.110 4.280 1.00 0.00 C ATOM 0 H MET A 30 -6.710 -5.518 8.083 1.00 0.00 H new ATOM 0 HA MET A 30 -7.556 -2.874 8.473 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.946 -5.423 7.601 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.793 -3.891 7.685 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.155 -4.235 6.203 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.706 -4.483 5.427 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.274 -1.073 3.990 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.485 -2.622 4.372 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.048 -2.605 3.520 1.00 0.00 H new ATOM 393 N CYS A 31 -8.747 -4.998 10.698 1.00 0.00 N ATOM 394 CA CYS A 31 -9.324 -5.109 12.031 1.00 0.00 C ATOM 395 C CYS A 31 -8.447 -4.414 13.077 1.00 0.00 C ATOM 396 O CYS A 31 -8.922 -3.569 13.832 1.00 0.00 O ATOM 397 CB CYS A 31 -9.516 -6.584 12.386 1.00 0.00 C ATOM 398 SG CYS A 31 -10.244 -6.658 14.038 1.00 0.00 S ATOM 0 H CYS A 31 -8.466 -5.895 10.302 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.293 -4.610 12.031 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.166 -7.071 11.659 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.562 -7.110 12.364 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.426 -7.900 14.377 1.00 0.00 H new ATOM 403 N CYS A 32 -7.153 -4.737 13.100 1.00 0.00 N ATOM 404 CA CYS A 32 -6.156 -4.200 14.023 1.00 0.00 C ATOM 405 C CYS A 32 -6.129 -2.674 14.005 1.00 0.00 C ATOM 406 O CYS A 32 -6.008 -2.033 15.050 1.00 0.00 O ATOM 407 CB CYS A 32 -4.772 -4.737 13.646 1.00 0.00 C ATOM 408 SG CYS A 32 -3.500 -3.860 14.588 1.00 0.00 S ATOM 0 H CYS A 32 -6.755 -5.411 12.446 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.426 -4.519 15.030 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.718 -5.806 13.851 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.600 -4.609 12.577 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.327 -4.320 14.267 1.00 0.00 H new ATOM 413 N ARG A 33 -6.181 -2.082 12.811 1.00 0.00 N ATOM 414 CA ARG A 33 -6.230 -0.637 12.625 1.00 0.00 C ATOM 415 C ARG A 33 -7.672 -0.115 12.633 1.00 0.00 C ATOM 416 O ARG A 33 -7.887 1.078 12.434 1.00 0.00 O ATOM 417 CB ARG A 33 -5.497 -0.276 11.325 1.00 0.00 C ATOM 418 CG ARG A 33 -4.063 -0.830 11.219 1.00 0.00 C ATOM 419 CD ARG A 33 -3.083 -0.268 12.259 1.00 0.00 C ATOM 420 NE ARG A 33 -3.339 -0.823 13.599 1.00 0.00 N ATOM 421 CZ ARG A 33 -3.231 -0.159 14.760 1.00 0.00 C ATOM 422 NH1 ARG A 33 -2.500 0.959 14.825 1.00 0.00 N ATOM 423 NH2 ARG A 33 -3.872 -0.610 15.842 1.00 0.00 N ATOM 0 H ARG A 33 -6.190 -2.604 11.935 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.727 -0.150 13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.079 -0.647 10.481 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.460 0.810 11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.098 -1.915 11.321 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.677 -0.616 10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.061 -0.498 11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.169 0.818 12.292 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.624 -1.801 13.649 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.025 1.307 13.992 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.418 1.464 15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.440 -1.455 15.783 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.793 -0.109 16.727 1.00 0.00 H new ATOM 434 N LYS A 34 -8.646 -1.001 12.859 1.00 0.00 N ATOM 435 CA LYS A 34 -10.081 -0.772 12.830 1.00 0.00 C ATOM 436 C LYS A 34 -10.491 0.171 11.698 1.00 0.00 C ATOM 437 O LYS A 34 -11.223 1.138 11.895 1.00 0.00 O ATOM 438 CB LYS A 34 -10.602 -0.373 14.221 1.00 0.00 C ATOM 439 CG LYS A 34 -11.937 -1.054 14.564 1.00 0.00 C ATOM 440 CD LYS A 34 -13.020 -0.825 13.497 1.00 0.00 C ATOM 441 CE LYS A 34 -14.387 -1.390 13.910 1.00 0.00 C ATOM 442 NZ LYS A 34 -15.074 -0.518 14.882 1.00 0.00 N ATOM 0 H LYS A 34 -8.427 -1.971 13.084 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.578 -1.711 12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.859 -0.636 14.974 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.728 0.709 14.262 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.772 -2.125 14.683 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.294 -0.678 15.523 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.116 0.244 13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.707 -1.289 12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.012 -1.510 13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.254 -2.381 14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.944 -0.983 15.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.448 -0.341 15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.315 0.386 14.428 1.00 0.00 H new ATOM 452 N MET A 35 -10.052 -0.160 10.484 1.00 0.00 N ATOM 453 CA MET A 35 -10.434 0.561 9.282 1.00 0.00 C ATOM 454 C MET A 35 -11.761 0.029 8.732 1.00 0.00 C ATOM 455 O MET A 35 -12.358 0.647 7.844 1.00 0.00 O ATOM 456 CB MET A 35 -9.279 0.511 8.276 1.00 0.00 C ATOM 457 CG MET A 35 -8.067 1.284 8.821 1.00 0.00 C ATOM 458 SD MET A 35 -8.314 3.073 8.999 1.00 0.00 S ATOM 459 CE MET A 35 -6.949 3.502 10.103 1.00 0.00 C ATOM 0 H MET A 35 -9.418 -0.941 10.312 1.00 0.00 H new ATOM 0 HA MET A 35 -10.614 1.612 9.508 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.001 -0.525 8.081 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.596 0.940 7.326 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.799 0.871 9.794 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.219 1.114 8.158 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.812 4.583 10.110 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.176 3.159 11.112 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.034 3.023 9.754 1.00 0.00 H new ATOM 467 N THR A 36 -12.276 -1.066 9.299 1.00 0.00 N ATOM 468 CA THR A 36 -13.613 -1.597 9.083 1.00 0.00 C ATOM 469 C THR A 36 -14.664 -0.752 9.822 1.00 0.00 C ATOM 470 O THR A 36 -15.516 -1.274 10.538 1.00 0.00 O ATOM 471 CB THR A 36 -13.588 -3.062 9.551 1.00 0.00 C ATOM 472 OG1 THR A 36 -12.758 -3.161 10.700 1.00 0.00 O ATOM 473 CG2 THR A 36 -12.994 -3.952 8.458 1.00 0.00 C ATOM 0 H THR A 36 -11.737 -1.632 9.955 1.00 0.00 H new ATOM 0 HA THR A 36 -13.897 -1.554 8.031 1.00 0.00 H new ATOM 0 HB THR A 36 -14.606 -3.382 9.775 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.736 -4.091 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.981 -4.987 8.799 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.601 -3.875 7.556 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.976 -3.629 8.239 1.00 0.00 H new ATOM 481 N GLN A 37 -14.605 0.569 9.642 1.00 0.00 N ATOM 482 CA GLN A 37 -15.657 1.493 10.053 1.00 0.00 C ATOM 483 C GLN A 37 -16.718 1.532 8.946 1.00 0.00 C ATOM 484 O GLN A 37 -16.587 0.804 7.966 1.00 0.00 O ATOM 485 CB GLN A 37 -15.039 2.877 10.308 1.00 0.00 C ATOM 486 CG GLN A 37 -14.178 2.888 11.578 1.00 0.00 C ATOM 487 CD GLN A 37 -15.025 2.834 12.846 1.00 0.00 C ATOM 488 OE1 GLN A 37 -15.116 1.803 13.510 1.00 0.00 O ATOM 489 NE2 GLN A 37 -15.670 3.943 13.195 1.00 0.00 N ATOM 0 H GLN A 37 -13.811 1.031 9.199 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.134 1.170 10.978 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.429 3.167 9.452 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -15.832 3.619 10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.497 2.037 11.561 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.563 3.788 11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.579 4.786 12.628 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.256 3.951 14.030 1.00 0.00 H new ATOM 496 N GLY A 38 -17.725 2.405 9.111 1.00 0.00 N ATOM 497 CA GLY A 38 -18.852 2.708 8.223 1.00 0.00 C ATOM 498 C GLY A 38 -18.865 2.006 6.863 1.00 0.00 C ATOM 499 O GLY A 38 -19.829 1.325 6.529 1.00 0.00 O ATOM 0 H GLY A 38 -17.772 2.972 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.774 2.454 8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.869 3.784 8.050 1.00 0.00 H new ATOM 502 N LYS A 39 -17.819 2.214 6.061 1.00 0.00 N ATOM 503 CA LYS A 39 -17.553 1.418 4.877 1.00 0.00 C ATOM 504 C LYS A 39 -16.073 1.041 4.898 1.00 0.00 C ATOM 505 O LYS A 39 -15.226 1.856 5.285 1.00 0.00 O ATOM 506 CB LYS A 39 -17.993 2.122 3.583 1.00 0.00 C ATOM 507 CG LYS A 39 -17.474 3.551 3.348 1.00 0.00 C ATOM 508 CD LYS A 39 -18.199 4.605 4.203 1.00 0.00 C ATOM 509 CE LYS A 39 -18.059 6.032 3.648 1.00 0.00 C ATOM 510 NZ LYS A 39 -18.854 6.248 2.418 1.00 0.00 N ATOM 0 H LYS A 39 -17.130 2.949 6.223 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.152 0.507 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.680 1.506 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -19.082 2.152 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.407 3.584 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.590 3.804 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -19.256 4.348 4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.803 4.576 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.374 6.746 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.009 6.234 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.818 7.253 2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.462 5.673 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.841 5.970 2.589 1.00 0.00 H new ATOM 520 N CYS A 40 -15.777 -0.200 4.512 1.00 0.00 N ATOM 521 CA CYS A 40 -14.440 -0.784 4.503 1.00 0.00 C ATOM 522 C CYS A 40 -13.739 -0.453 3.176 1.00 0.00 C ATOM 523 O CYS A 40 -14.300 0.273 2.355 1.00 0.00 O ATOM 524 CB CYS A 40 -14.515 -2.265 4.910 1.00 0.00 C ATOM 525 SG CYS A 40 -15.763 -3.319 4.133 1.00 0.00 S ATOM 0 H CYS A 40 -16.492 -0.850 4.185 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.791 -0.341 5.259 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.539 -2.711 4.716 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.675 -2.304 5.988 1.00 0.00 H new ATOM 529 N LYS A 41 -12.444 -0.773 3.060 1.00 0.00 N ATOM 530 CA LYS A 41 -11.594 -0.289 1.973 1.00 0.00 C ATOM 531 C LYS A 41 -11.619 -1.281 0.803 1.00 0.00 C ATOM 532 O LYS A 41 -10.970 -2.315 0.903 1.00 0.00 O ATOM 533 CB LYS A 41 -10.156 -0.094 2.486 1.00 0.00 C ATOM 534 CG LYS A 41 -9.889 1.234 3.218 1.00 0.00 C ATOM 535 CD LYS A 41 -10.593 1.392 4.578 1.00 0.00 C ATOM 536 CE LYS A 41 -11.895 2.206 4.475 1.00 0.00 C ATOM 537 NZ LYS A 41 -12.634 2.254 5.755 1.00 0.00 N ATOM 0 H LYS A 41 -11.958 -1.378 3.722 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.973 0.670 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.915 -0.916 3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.474 -0.166 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.814 1.336 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.198 2.055 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.816 0.406 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.917 1.881 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.661 3.222 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.533 1.770 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.650 2.368 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.477 1.370 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.296 3.058 6.321 1.00 0.00 H new ATOM 547 N PRO A 42 -12.269 -0.975 -0.335 1.00 0.00 N ATOM 548 CA PRO A 42 -12.439 -1.945 -1.409 1.00 0.00 C ATOM 549 C PRO A 42 -11.109 -2.485 -1.944 1.00 0.00 C ATOM 550 O PRO A 42 -11.059 -3.642 -2.361 1.00 0.00 O ATOM 551 CB PRO A 42 -13.269 -1.243 -2.486 1.00 0.00 C ATOM 552 CG PRO A 42 -13.052 0.244 -2.210 1.00 0.00 C ATOM 553 CD PRO A 42 -12.890 0.290 -0.691 1.00 0.00 C ATOM 0 HA PRO A 42 -12.950 -2.836 -1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.936 -1.516 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.323 -1.512 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.168 0.625 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.898 0.844 -2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.269 1.133 -0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.854 0.409 -0.196 1.00 0.00 H new ATOM 558 N VAL A 43 -10.052 -1.660 -1.934 1.00 0.00 N ATOM 559 CA VAL A 43 -8.700 -2.027 -2.341 1.00 0.00 C ATOM 560 C VAL A 43 -7.683 -1.338 -1.426 1.00 0.00 C ATOM 561 O VAL A 43 -7.948 -0.228 -0.959 1.00 0.00 O ATOM 562 CB VAL A 43 -8.444 -1.641 -3.812 1.00 0.00 C ATOM 563 CG1 VAL A 43 -9.146 -2.599 -4.781 1.00 0.00 C ATOM 564 CG2 VAL A 43 -8.858 -0.196 -4.134 1.00 0.00 C ATOM 0 H VAL A 43 -10.124 -0.689 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.590 -3.108 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.365 -1.719 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.941 -2.293 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.776 -3.612 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.221 -2.574 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.653 0.016 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.923 -0.071 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.291 0.493 -3.508 1.00 0.00 H new ATOM 574 N ASN A 44 -6.526 -1.969 -1.182 1.00 0.00 N ATOM 575 CA ASN A 44 -5.374 -1.363 -0.513 1.00 0.00 C ATOM 576 C ASN A 44 -4.158 -2.286 -0.632 1.00 0.00 C ATOM 577 O ASN A 44 -4.305 -3.486 -0.450 1.00 0.00 O ATOM 578 CB ASN A 44 -5.669 -1.145 0.973 1.00 0.00 C ATOM 579 CG ASN A 44 -4.477 -0.509 1.685 1.00 0.00 C ATOM 580 OD1 ASN A 44 -3.702 0.236 1.089 1.00 0.00 O ATOM 581 ND2 ASN A 44 -4.320 -0.801 2.969 1.00 0.00 N ATOM 0 H ASN A 44 -6.365 -2.939 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.170 -0.405 -0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.545 -0.506 1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.910 -2.099 1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.539 -0.404 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.981 -1.423 3.435 1.00 0.00 H new ATOM 587 N THR A 45 -2.958 -1.761 -0.885 1.00 0.00 N ATOM 588 CA THR A 45 -1.790 -2.594 -1.158 1.00 0.00 C ATOM 589 C THR A 45 -0.870 -2.670 0.063 1.00 0.00 C ATOM 590 O THR A 45 -0.231 -1.678 0.409 1.00 0.00 O ATOM 591 CB THR A 45 -1.073 -2.066 -2.403 1.00 0.00 C ATOM 592 OG1 THR A 45 -2.011 -1.774 -3.420 1.00 0.00 O ATOM 593 CG2 THR A 45 -0.055 -3.076 -2.931 1.00 0.00 C ATOM 0 H THR A 45 -2.771 -0.758 -0.906 1.00 0.00 H new ATOM 0 HA THR A 45 -2.109 -3.617 -1.360 1.00 0.00 H new ATOM 0 HB THR A 45 -0.544 -1.157 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.585 -2.554 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.436 -2.669 -3.815 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.691 -3.277 -2.162 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.565 -4.003 -3.193 1.00 0.00 H new ATOM 601 N PHE A 46 -0.796 -3.828 0.726 1.00 0.00 N ATOM 602 CA PHE A 46 -0.092 -3.966 1.995 1.00 0.00 C ATOM 603 C PHE A 46 1.366 -4.339 1.721 1.00 0.00 C ATOM 604 O PHE A 46 1.607 -5.403 1.167 1.00 0.00 O ATOM 605 CB PHE A 46 -0.715 -5.089 2.833 1.00 0.00 C ATOM 606 CG PHE A 46 -2.089 -4.899 3.448 1.00 0.00 C ATOM 607 CD1 PHE A 46 -3.104 -4.160 2.813 1.00 0.00 C ATOM 608 CD2 PHE A 46 -2.415 -5.691 4.562 1.00 0.00 C ATOM 609 CE1 PHE A 46 -4.412 -4.171 3.325 1.00 0.00 C ATOM 610 CE2 PHE A 46 -3.726 -5.726 5.048 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.727 -4.960 4.438 1.00 0.00 C ATOM 0 H PHE A 46 -1.224 -4.693 0.395 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.161 -3.021 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.761 -5.977 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.023 -5.310 3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.877 -3.582 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.648 -6.277 5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.177 -3.569 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.968 -6.347 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.736 -4.978 4.824 1.00 0.00 H new ATOM 620 N VAL A 47 2.352 -3.531 2.115 1.00 0.00 N ATOM 621 CA VAL A 47 3.758 -3.914 1.982 1.00 0.00 C ATOM 622 C VAL A 47 4.150 -4.812 3.154 1.00 0.00 C ATOM 623 O VAL A 47 3.693 -4.602 4.278 1.00 0.00 O ATOM 624 CB VAL A 47 4.690 -2.694 1.868 1.00 0.00 C ATOM 625 CG1 VAL A 47 6.016 -3.094 1.203 1.00 0.00 C ATOM 626 CG2 VAL A 47 4.050 -1.541 1.093 1.00 0.00 C ATOM 0 H VAL A 47 2.203 -2.610 2.528 1.00 0.00 H new ATOM 0 HA VAL A 47 3.875 -4.468 1.051 1.00 0.00 H new ATOM 0 HB VAL A 47 4.878 -2.343 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.664 -2.221 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.507 -3.861 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.819 -3.485 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.748 -0.706 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.805 -1.872 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.140 -1.222 1.601 1.00 0.00 H new ATOM 636 N HIS A 48 4.978 -5.823 2.892 1.00 0.00 N ATOM 637 CA HIS A 48 5.469 -6.772 3.881 1.00 0.00 C ATOM 638 C HIS A 48 6.984 -6.885 3.726 1.00 0.00 C ATOM 639 O HIS A 48 7.479 -7.891 3.231 1.00 0.00 O ATOM 640 CB HIS A 48 4.749 -8.116 3.686 1.00 0.00 C ATOM 641 CG HIS A 48 3.485 -8.241 4.495 1.00 0.00 C ATOM 642 ND1 HIS A 48 3.382 -8.871 5.720 1.00 0.00 N ATOM 643 CD2 HIS A 48 2.304 -7.601 4.249 1.00 0.00 C ATOM 644 CE1 HIS A 48 2.158 -8.631 6.210 1.00 0.00 C ATOM 645 NE2 HIS A 48 1.484 -7.877 5.327 1.00 0.00 N ATOM 0 H HIS A 48 5.335 -6.007 1.954 1.00 0.00 H new ATOM 0 HA HIS A 48 5.260 -6.440 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.509 -8.241 2.630 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.427 -8.925 3.957 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.060 -7.000 3.386 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.777 -8.985 7.157 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.521 -7.559 5.434 1.00 0.00 H new ATOM 653 N GLU A 49 7.717 -5.846 4.139 1.00 0.00 N ATOM 654 CA GLU A 49 9.168 -5.780 4.025 1.00 0.00 C ATOM 655 C GLU A 49 9.693 -4.762 5.044 1.00 0.00 C ATOM 656 O GLU A 49 8.932 -4.236 5.854 1.00 0.00 O ATOM 657 CB GLU A 49 9.542 -5.433 2.562 1.00 0.00 C ATOM 658 CG GLU A 49 11.014 -5.600 2.149 1.00 0.00 C ATOM 659 CD GLU A 49 11.705 -6.774 2.822 1.00 0.00 C ATOM 660 OE1 GLU A 49 11.485 -7.916 2.371 1.00 0.00 O ATOM 661 OE2 GLU A 49 12.391 -6.480 3.828 1.00 0.00 O ATOM 0 H GLU A 49 7.307 -5.016 4.568 1.00 0.00 H new ATOM 0 HA GLU A 49 9.636 -6.737 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.935 -6.054 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.256 -4.397 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.067 -5.729 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.556 -4.685 2.388 1.00 0.00 H new ATOM 666 N SER A 50 10.993 -4.498 4.995 1.00 0.00 N ATOM 667 CA SER A 50 11.741 -3.543 5.785 1.00 0.00 C ATOM 668 C SER A 50 11.196 -2.111 5.649 1.00 0.00 C ATOM 669 O SER A 50 11.499 -1.417 4.681 1.00 0.00 O ATOM 670 CB SER A 50 13.204 -3.649 5.332 1.00 0.00 C ATOM 671 OG SER A 50 13.683 -4.956 5.592 1.00 0.00 O ATOM 0 H SER A 50 11.599 -4.994 4.341 1.00 0.00 H new ATOM 0 HA SER A 50 11.647 -3.774 6.846 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.284 -3.425 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.814 -2.915 5.859 1.00 0.00 H new ATOM 0 HG SER A 50 13.447 -5.545 4.845 1.00 0.00 H new ATOM 676 N LEU A 51 10.448 -1.638 6.654 1.00 0.00 N ATOM 677 CA LEU A 51 9.970 -0.255 6.768 1.00 0.00 C ATOM 678 C LEU A 51 11.103 0.761 6.587 1.00 0.00 C ATOM 679 O LEU A 51 10.913 1.819 5.989 1.00 0.00 O ATOM 680 CB LEU A 51 9.227 -0.093 8.108 1.00 0.00 C ATOM 681 CG LEU A 51 8.550 1.278 8.308 1.00 0.00 C ATOM 682 CD1 LEU A 51 7.301 1.129 9.189 1.00 0.00 C ATOM 683 CD2 LEU A 51 9.471 2.292 9.003 1.00 0.00 C ATOM 0 H LEU A 51 10.150 -2.225 7.433 1.00 0.00 H new ATOM 0 HA LEU A 51 9.270 -0.046 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.468 -0.872 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.934 -0.256 8.922 1.00 0.00 H new ATOM 0 HG LEU A 51 8.299 1.641 7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.832 2.104 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.596 0.450 8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.587 0.727 10.161 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.946 3.240 9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.756 1.912 9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.366 2.444 8.399 1.00 0.00 H new ATOM 694 N ALA A 52 12.303 0.438 7.072 1.00 0.00 N ATOM 695 CA ALA A 52 13.475 1.257 6.805 1.00 0.00 C ATOM 696 C ALA A 52 13.656 1.487 5.301 1.00 0.00 C ATOM 697 O ALA A 52 13.908 2.619 4.885 1.00 0.00 O ATOM 698 CB ALA A 52 14.715 0.606 7.421 1.00 0.00 C ATOM 0 H ALA A 52 12.483 -0.383 7.649 1.00 0.00 H new ATOM 0 HA ALA A 52 13.332 2.234 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.589 1.224 7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.579 0.512 8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.861 -0.383 6.986 1.00 0.00 H new ATOM 704 N ASP A 53 13.506 0.443 4.472 1.00 0.00 N ATOM 705 CA ASP A 53 13.700 0.618 3.047 1.00 0.00 C ATOM 706 C ASP A 53 12.646 1.555 2.477 1.00 0.00 C ATOM 707 O ASP A 53 12.991 2.401 1.675 1.00 0.00 O ATOM 708 CB ASP A 53 13.757 -0.692 2.251 1.00 0.00 C ATOM 709 CG ASP A 53 14.652 -0.449 1.042 1.00 0.00 C ATOM 710 OD1 ASP A 53 15.891 -0.488 1.212 1.00 0.00 O ATOM 711 OD2 ASP A 53 14.152 -0.074 -0.042 1.00 0.00 O ATOM 0 H ASP A 53 13.258 -0.502 4.764 1.00 0.00 H new ATOM 0 HA ASP A 53 14.687 1.067 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.154 -1.499 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.758 -0.994 1.935 1.00 0.00 H new ATOM 715 N VAL A 54 11.384 1.466 2.904 1.00 0.00 N ATOM 716 CA VAL A 54 10.330 2.381 2.456 1.00 0.00 C ATOM 717 C VAL A 54 10.776 3.855 2.524 1.00 0.00 C ATOM 718 O VAL A 54 10.645 4.608 1.556 1.00 0.00 O ATOM 719 CB VAL A 54 9.041 2.107 3.256 1.00 0.00 C ATOM 720 CG1 VAL A 54 8.076 3.290 3.286 1.00 0.00 C ATOM 721 CG2 VAL A 54 8.308 0.898 2.682 1.00 0.00 C ATOM 0 H VAL A 54 11.064 0.760 3.568 1.00 0.00 H new ATOM 0 HA VAL A 54 10.121 2.194 1.403 1.00 0.00 H new ATOM 0 HB VAL A 54 9.364 1.920 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.192 3.024 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.567 4.148 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.779 3.543 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.400 0.716 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.046 1.091 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.953 0.021 2.737 1.00 0.00 H new ATOM 731 N LYS A 55 11.320 4.275 3.669 1.00 0.00 N ATOM 732 CA LYS A 55 11.849 5.629 3.832 1.00 0.00 C ATOM 733 C LYS A 55 13.030 5.903 2.879 1.00 0.00 C ATOM 734 O LYS A 55 13.248 7.041 2.459 1.00 0.00 O ATOM 735 CB LYS A 55 12.198 5.848 5.307 1.00 0.00 C ATOM 736 CG LYS A 55 10.933 6.115 6.127 1.00 0.00 C ATOM 737 CD LYS A 55 11.154 5.772 7.608 1.00 0.00 C ATOM 738 CE LYS A 55 9.991 6.211 8.514 1.00 0.00 C ATOM 739 NZ LYS A 55 8.677 5.979 7.887 1.00 0.00 N ATOM 0 H LYS A 55 11.405 3.691 4.501 1.00 0.00 H new ATOM 0 HA LYS A 55 11.088 6.357 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.713 4.971 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.884 6.690 5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.648 7.163 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.108 5.523 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.297 4.696 7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.072 6.248 7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.042 5.667 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.097 7.270 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.968 5.793 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.398 6.821 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.736 5.160 7.249 1.00 0.00 H new ATOM 749 N ALA A 56 13.776 4.864 2.495 1.00 0.00 N ATOM 750 CA ALA A 56 14.814 4.968 1.479 1.00 0.00 C ATOM 751 C ALA A 56 14.196 5.102 0.078 1.00 0.00 C ATOM 752 O ALA A 56 14.548 6.018 -0.649 1.00 0.00 O ATOM 753 CB ALA A 56 15.794 3.797 1.601 1.00 0.00 C ATOM 0 H ALA A 56 13.673 3.927 2.884 1.00 0.00 H new ATOM 0 HA ALA A 56 15.391 5.878 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.565 3.887 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.258 3.812 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.257 2.858 1.467 1.00 0.00 H new ATOM 759 N VAL A 57 13.251 4.236 -0.309 1.00 0.00 N ATOM 760 CA VAL A 57 12.488 4.301 -1.556 1.00 0.00 C ATOM 761 C VAL A 57 12.008 5.731 -1.812 1.00 0.00 C ATOM 762 O VAL A 57 12.270 6.298 -2.874 1.00 0.00 O ATOM 763 CB VAL A 57 11.308 3.311 -1.508 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.323 3.582 -2.653 1.00 0.00 C ATOM 765 CG2 VAL A 57 11.810 1.861 -1.525 1.00 0.00 C ATOM 0 H VAL A 57 12.988 3.436 0.266 1.00 0.00 H new ATOM 0 HA VAL A 57 13.134 4.014 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 57 10.772 3.461 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.498 2.871 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.934 4.597 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.836 3.471 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.959 1.181 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.379 1.684 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.449 1.687 -0.659 1.00 0.00 H new ATOM 775 N CYS A 58 11.333 6.311 -0.813 1.00 0.00 N ATOM 776 CA CYS A 58 10.959 7.725 -0.791 1.00 0.00 C ATOM 777 C CYS A 58 12.060 8.627 -1.360 1.00 0.00 C ATOM 778 O CYS A 58 11.788 9.530 -2.146 1.00 0.00 O ATOM 779 CB CYS A 58 10.653 8.137 0.655 1.00 0.00 C ATOM 780 SG CYS A 58 11.210 9.804 1.108 1.00 0.00 S ATOM 0 H CYS A 58 11.027 5.800 0.015 1.00 0.00 H new ATOM 0 HA CYS A 58 10.079 7.850 -1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.577 8.073 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 58 11.119 7.418 1.329 1.00 0.00 H new ATOM 784 N SER A 59 13.299 8.389 -0.929 1.00 0.00 N ATOM 785 CA SER A 59 14.469 9.179 -1.245 1.00 0.00 C ATOM 786 C SER A 59 15.381 8.425 -2.225 1.00 0.00 C ATOM 787 O SER A 59 16.606 8.530 -2.139 1.00 0.00 O ATOM 788 CB SER A 59 15.158 9.534 0.085 1.00 0.00 C ATOM 789 OG SER A 59 15.256 8.415 0.956 1.00 0.00 O ATOM 0 H SER A 59 13.515 7.599 -0.321 1.00 0.00 H new ATOM 0 HA SER A 59 14.202 10.104 -1.755 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.156 9.923 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.600 10.329 0.580 1.00 0.00 H new ATOM 0 HG SER A 59 14.381 8.238 1.361 1.00 0.00 H new ATOM 794 N GLN A 60 14.805 7.665 -3.168 1.00 0.00 N ATOM 795 CA GLN A 60 15.565 6.947 -4.186 1.00 0.00 C ATOM 796 C GLN A 60 15.267 7.492 -5.588 1.00 0.00 C ATOM 797 O GLN A 60 16.010 8.348 -6.063 1.00 0.00 O ATOM 798 CB GLN A 60 15.365 5.425 -4.040 1.00 0.00 C ATOM 799 CG GLN A 60 16.644 4.686 -3.621 1.00 0.00 C ATOM 800 CD GLN A 60 16.893 4.712 -2.114 1.00 0.00 C ATOM 801 OE1 GLN A 60 16.742 3.684 -1.452 1.00 0.00 O ATOM 802 NE2 GLN A 60 17.287 5.851 -1.554 1.00 0.00 N ATOM 0 H GLN A 60 13.796 7.535 -3.241 1.00 0.00 H new ATOM 0 HA GLN A 60 16.630 7.123 -4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.585 5.236 -3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.012 5.019 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.582 3.650 -3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.497 5.134 -4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.404 6.687 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.473 5.889 -0.552 1.00 0.00 H new ATOM 809 N LYS A 61 14.227 6.997 -6.272 1.00 0.00 N ATOM 810 CA LYS A 61 14.030 7.268 -7.693 1.00 0.00 C ATOM 811 C LYS A 61 12.627 7.804 -7.977 1.00 0.00 C ATOM 812 O LYS A 61 11.667 7.035 -8.017 1.00 0.00 O ATOM 813 CB LYS A 61 14.311 5.988 -8.493 1.00 0.00 C ATOM 814 CG LYS A 61 14.366 6.281 -10.000 1.00 0.00 C ATOM 815 CD LYS A 61 14.586 5.015 -10.840 1.00 0.00 C ATOM 816 CE LYS A 61 13.391 4.059 -10.711 1.00 0.00 C ATOM 817 NZ LYS A 61 13.379 3.021 -11.760 1.00 0.00 N ATOM 0 H LYS A 61 13.508 6.404 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 61 14.728 8.046 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.256 5.553 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.534 5.251 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.436 6.760 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.170 6.989 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.728 5.287 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.497 4.512 -10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.417 3.581 -9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.465 4.632 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.553 2.403 -11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.326 3.473 -12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.249 2.454 -11.698 1.00 0.00 H new ATOM 827 N LYS A 62 12.525 9.111 -8.243 1.00 0.00 N ATOM 828 CA LYS A 62 11.303 9.719 -8.751 1.00 0.00 C ATOM 829 C LYS A 62 10.971 9.066 -10.093 1.00 0.00 C ATOM 830 O LYS A 62 11.854 8.946 -10.942 1.00 0.00 O ATOM 831 CB LYS A 62 11.504 11.238 -8.915 1.00 0.00 C ATOM 832 CG LYS A 62 10.189 12.044 -8.928 1.00 0.00 C ATOM 833 CD LYS A 62 9.981 12.891 -10.199 1.00 0.00 C ATOM 834 CE LYS A 62 9.440 12.039 -11.358 1.00 0.00 C ATOM 835 NZ LYS A 62 9.154 12.822 -12.582 1.00 0.00 N ATOM 0 H LYS A 62 13.291 9.772 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 62 10.479 9.564 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.133 11.601 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.043 11.425 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.352 11.354 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.170 12.702 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.286 13.703 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.926 13.349 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.165 11.260 -11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.528 11.538 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.793 12.188 -13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.441 13.549 -12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.027 13.280 -12.913 1.00 0.00 H new ATOM 845 N VAL A 63 9.717 8.668 -10.307 1.00 0.00 N ATOM 846 CA VAL A 63 9.223 8.235 -11.605 1.00 0.00 C ATOM 847 C VAL A 63 8.022 9.104 -11.942 1.00 0.00 C ATOM 848 O VAL A 63 7.250 9.467 -11.062 1.00 0.00 O ATOM 849 CB VAL A 63 8.889 6.732 -11.623 1.00 0.00 C ATOM 850 CG1 VAL A 63 10.149 5.924 -11.307 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.755 6.327 -10.671 1.00 0.00 C ATOM 0 H VAL A 63 9.011 8.639 -9.572 1.00 0.00 H new ATOM 0 HA VAL A 63 9.994 8.358 -12.366 1.00 0.00 H new ATOM 0 HB VAL A 63 8.527 6.511 -12.627 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.912 4.860 -11.320 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.913 6.134 -12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.521 6.201 -10.321 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.584 5.253 -10.745 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.031 6.580 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.844 6.860 -10.943 1.00 0.00 H new ATOM 861 N THR A 64 7.888 9.518 -13.198 1.00 0.00 N ATOM 862 CA THR A 64 6.695 10.223 -13.620 1.00 0.00 C ATOM 863 C THR A 64 5.562 9.195 -13.666 1.00 0.00 C ATOM 864 O THR A 64 5.520 8.374 -14.580 1.00 0.00 O ATOM 865 CB THR A 64 6.977 10.901 -14.965 1.00 0.00 C ATOM 866 OG1 THR A 64 8.157 11.684 -14.831 1.00 0.00 O ATOM 867 CG2 THR A 64 5.826 11.816 -15.393 1.00 0.00 C ATOM 0 H THR A 64 8.585 9.377 -13.930 1.00 0.00 H new ATOM 0 HA THR A 64 6.398 11.018 -12.936 1.00 0.00 H new ATOM 0 HB THR A 64 7.093 10.128 -15.724 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.355 12.125 -15.683 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.065 12.277 -16.351 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.912 11.230 -15.490 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.680 12.593 -14.642 1.00 0.00 H new ATOM 875 N CYS A 65 4.693 9.203 -12.649 1.00 0.00 N ATOM 876 CA CYS A 65 3.514 8.341 -12.595 1.00 0.00 C ATOM 877 C CYS A 65 2.606 8.587 -13.803 1.00 0.00 C ATOM 878 O CYS A 65 2.853 9.488 -14.603 1.00 0.00 O ATOM 879 CB CYS A 65 2.750 8.554 -11.276 1.00 0.00 C ATOM 880 SG CYS A 65 3.334 7.512 -9.915 1.00 0.00 S ATOM 0 H CYS A 65 4.791 9.812 -11.837 1.00 0.00 H new ATOM 0 HA CYS A 65 3.844 7.303 -12.631 1.00 0.00 H new ATOM 0 HB2 CYS A 65 2.836 9.600 -10.982 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.691 8.356 -11.444 1.00 0.00 H new ATOM 884 N LYS A 66 1.532 7.798 -13.922 1.00 0.00 N ATOM 885 CA LYS A 66 0.575 7.808 -15.031 1.00 0.00 C ATOM 886 C LYS A 66 -0.306 9.071 -15.118 1.00 0.00 C ATOM 887 O LYS A 66 -1.465 8.996 -15.522 1.00 0.00 O ATOM 888 CB LYS A 66 -0.239 6.506 -15.025 1.00 0.00 C ATOM 889 CG LYS A 66 -1.304 6.373 -13.928 1.00 0.00 C ATOM 890 CD LYS A 66 -0.749 6.407 -12.497 1.00 0.00 C ATOM 891 CE LYS A 66 -1.820 5.851 -11.559 1.00 0.00 C ATOM 892 NZ LYS A 66 -1.353 5.735 -10.163 1.00 0.00 N ATOM 0 H LYS A 66 1.297 7.103 -13.214 1.00 0.00 H new ATOM 0 HA LYS A 66 1.159 7.855 -15.950 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.731 6.406 -15.993 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.454 5.670 -14.932 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.029 7.179 -14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.843 5.437 -14.073 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.163 5.813 -12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.488 7.427 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.697 6.498 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.135 4.870 -11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.107 5.322 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.513 5.123 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.110 6.678 -9.799 1.00 0.00 H new ATOM 902 N ASP A 67 0.244 10.223 -14.742 1.00 0.00 N ATOM 903 CA ASP A 67 -0.410 11.513 -14.604 1.00 0.00 C ATOM 904 C ASP A 67 0.660 12.612 -14.557 1.00 0.00 C ATOM 905 O ASP A 67 0.516 13.660 -15.181 1.00 0.00 O ATOM 906 CB ASP A 67 -1.317 11.521 -13.358 1.00 0.00 C ATOM 907 CG ASP A 67 -0.675 11.079 -12.045 1.00 0.00 C ATOM 908 OD1 ASP A 67 0.572 10.967 -11.983 1.00 0.00 O ATOM 909 OD2 ASP A 67 -1.458 10.905 -11.086 1.00 0.00 O ATOM 0 H ASP A 67 1.235 10.278 -14.509 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.054 11.705 -15.462 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.705 12.531 -13.225 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.172 10.874 -13.554 1.00 0.00 H new ATOM 913 N GLY A 68 1.743 12.353 -13.824 1.00 0.00 N ATOM 914 CA GLY A 68 2.788 13.305 -13.495 1.00 0.00 C ATOM 915 C GLY A 68 2.409 14.077 -12.233 1.00 0.00 C ATOM 916 O GLY A 68 2.852 15.207 -12.039 1.00 0.00 O ATOM 0 H GLY A 68 1.918 11.429 -13.428 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.733 12.783 -13.343 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.936 13.997 -14.324 1.00 0.00 H new ATOM 919 N GLN A 69 1.587 13.467 -11.374 1.00 0.00 N ATOM 920 CA GLN A 69 1.045 14.090 -10.181 1.00 0.00 C ATOM 921 C GLN A 69 1.968 13.806 -8.994 1.00 0.00 C ATOM 922 O GLN A 69 2.742 12.848 -9.004 1.00 0.00 O ATOM 923 CB GLN A 69 -0.356 13.510 -9.966 1.00 0.00 C ATOM 924 CG GLN A 69 -1.270 14.301 -9.028 1.00 0.00 C ATOM 925 CD GLN A 69 -2.662 13.679 -8.887 1.00 0.00 C ATOM 926 OE1 GLN A 69 -3.513 14.251 -8.215 1.00 0.00 O ATOM 927 NE2 GLN A 69 -2.933 12.521 -9.488 1.00 0.00 N ATOM 0 H GLN A 69 1.278 12.503 -11.499 1.00 0.00 H new ATOM 0 HA GLN A 69 0.977 15.173 -10.283 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.847 13.427 -10.936 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.253 12.498 -9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.805 14.365 -8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.369 15.321 -9.400 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.216 12.055 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.857 12.100 -9.392 1.00 0.00 H new ATOM 934 N THR A 70 1.861 14.624 -7.945 1.00 0.00 N ATOM 935 CA THR A 70 2.679 14.537 -6.741 1.00 0.00 C ATOM 936 C THR A 70 4.164 14.654 -7.112 1.00 0.00 C ATOM 937 O THR A 70 4.609 15.704 -7.567 1.00 0.00 O ATOM 938 CB THR A 70 2.301 13.303 -5.879 1.00 0.00 C ATOM 939 OG1 THR A 70 2.725 12.071 -6.435 1.00 0.00 O ATOM 940 CG2 THR A 70 0.790 13.215 -5.663 1.00 0.00 C ATOM 0 H THR A 70 1.183 15.385 -7.912 1.00 0.00 H new ATOM 0 HA THR A 70 2.470 15.382 -6.085 1.00 0.00 H new ATOM 0 HB THR A 70 2.823 13.458 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.931 12.194 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.560 12.340 -5.056 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.443 14.113 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.289 13.129 -6.627 1.00 0.00 H new ATOM 948 N ASN A 71 4.916 13.571 -6.926 1.00 0.00 N ATOM 949 CA ASN A 71 6.342 13.424 -7.177 1.00 0.00 C ATOM 950 C ASN A 71 6.682 11.979 -6.819 1.00 0.00 C ATOM 951 O ASN A 71 7.563 11.721 -6.008 1.00 0.00 O ATOM 952 CB ASN A 71 7.164 14.463 -6.383 1.00 0.00 C ATOM 953 CG ASN A 71 6.747 14.628 -4.920 1.00 0.00 C ATOM 954 OD1 ASN A 71 6.305 15.694 -4.508 1.00 0.00 O ATOM 955 ND2 ASN A 71 6.896 13.586 -4.109 1.00 0.00 N ATOM 0 H ASN A 71 4.508 12.707 -6.568 1.00 0.00 H new ATOM 0 HA ASN A 71 6.596 13.619 -8.219 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.215 14.176 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.081 15.429 -6.881 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.641 13.665 -3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.266 12.707 -4.471 1.00 0.00 H new ATOM 961 N CYS A 72 5.924 11.031 -7.372 1.00 0.00 N ATOM 962 CA CYS A 72 5.954 9.642 -6.930 1.00 0.00 C ATOM 963 C CYS A 72 7.316 8.967 -7.169 1.00 0.00 C ATOM 964 O CYS A 72 7.998 9.253 -8.151 1.00 0.00 O ATOM 965 CB CYS A 72 4.801 8.871 -7.577 1.00 0.00 C ATOM 966 SG CYS A 72 5.120 8.352 -9.278 1.00 0.00 S ATOM 0 H CYS A 72 5.274 11.207 -8.138 1.00 0.00 H new ATOM 0 HA CYS A 72 5.818 9.629 -5.849 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.585 7.989 -6.974 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.907 9.495 -7.561 1.00 0.00 H new ATOM 970 N TYR A 73 7.719 8.094 -6.241 1.00 0.00 N ATOM 971 CA TYR A 73 9.009 7.419 -6.160 1.00 0.00 C ATOM 972 C TYR A 73 8.845 5.906 -6.313 1.00 0.00 C ATOM 973 O TYR A 73 8.111 5.302 -5.531 1.00 0.00 O ATOM 974 CB TYR A 73 9.631 7.721 -4.789 1.00 0.00 C ATOM 975 CG TYR A 73 9.770 9.198 -4.500 1.00 0.00 C ATOM 976 CD1 TYR A 73 10.742 9.932 -5.185 1.00 0.00 C ATOM 977 CD2 TYR A 73 8.856 9.869 -3.674 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.742 11.331 -5.138 1.00 0.00 C ATOM 979 CE2 TYR A 73 8.949 11.266 -3.525 1.00 0.00 C ATOM 980 CZ TYR A 73 9.885 11.999 -4.264 1.00 0.00 C ATOM 981 OH TYR A 73 9.886 13.363 -4.217 1.00 0.00 O ATOM 0 H TYR A 73 7.104 7.824 -5.473 1.00 0.00 H new ATOM 0 HA TYR A 73 9.650 7.779 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.018 7.263 -4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.615 7.255 -4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 73 11.500 9.415 -5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.086 9.317 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.406 11.893 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.293 11.776 -2.835 1.00 0.00 H new ATOM 0 HH TYR A 73 10.130 13.720 -5.096 1.00 0.00 H new ATOM 990 N GLN A 74 9.544 5.293 -7.276 1.00 0.00 N ATOM 991 CA GLN A 74 9.567 3.841 -7.445 1.00 0.00 C ATOM 992 C GLN A 74 10.651 3.242 -6.554 1.00 0.00 C ATOM 993 O GLN A 74 11.769 3.754 -6.499 1.00 0.00 O ATOM 994 CB GLN A 74 9.800 3.460 -8.920 1.00 0.00 C ATOM 995 CG GLN A 74 9.803 1.939 -9.180 1.00 0.00 C ATOM 996 CD GLN A 74 9.987 1.583 -10.654 1.00 0.00 C ATOM 997 OE1 GLN A 74 10.909 2.091 -11.292 1.00 0.00 O ATOM 998 NE2 GLN A 74 9.172 0.697 -11.227 1.00 0.00 N ATOM 0 H GLN A 74 10.110 5.795 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 74 8.599 3.437 -7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.024 3.922 -9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.753 3.876 -9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.602 1.479 -8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.865 1.514 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.411 0.282 -10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.310 0.434 -12.203 1.00 0.00 H new ATOM 1005 N SER A 75 10.321 2.133 -5.891 1.00 0.00 N ATOM 1006 CA SER A 75 11.288 1.358 -5.126 1.00 0.00 C ATOM 1007 C SER A 75 12.525 0.978 -5.942 1.00 0.00 C ATOM 1008 O SER A 75 12.456 0.773 -7.154 1.00 0.00 O ATOM 1009 CB SER A 75 10.612 0.121 -4.532 1.00 0.00 C ATOM 1010 OG SER A 75 11.535 -0.662 -3.807 1.00 0.00 O ATOM 0 H SER A 75 9.376 1.750 -5.872 1.00 0.00 H new ATOM 0 HA SER A 75 11.647 1.992 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.796 0.427 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.172 -0.476 -5.331 1.00 0.00 H new ATOM 0 HG SER A 75 11.653 -1.526 -4.254 1.00 0.00 H new ATOM 1015 N LYS A 76 13.652 0.844 -5.239 1.00 0.00 N ATOM 1016 CA LYS A 76 14.912 0.359 -5.777 1.00 0.00 C ATOM 1017 C LYS A 76 14.723 -0.995 -6.468 1.00 0.00 C ATOM 1018 O LYS A 76 15.215 -1.221 -7.572 1.00 0.00 O ATOM 1019 CB LYS A 76 15.974 0.310 -4.665 1.00 0.00 C ATOM 1020 CG LYS A 76 15.536 -0.400 -3.370 1.00 0.00 C ATOM 1021 CD LYS A 76 16.703 -0.698 -2.420 1.00 0.00 C ATOM 1022 CE LYS A 76 17.259 0.578 -1.786 1.00 0.00 C ATOM 1023 NZ LYS A 76 16.360 1.116 -0.748 1.00 0.00 N ATOM 0 H LYS A 76 13.708 1.079 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 76 15.269 1.051 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.860 -0.192 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.267 1.331 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.804 0.221 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.037 -1.335 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.369 -1.378 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.496 -1.208 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.235 0.370 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.411 1.331 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.447 2.152 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.378 0.858 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.620 0.718 0.177 1.00 0.00 H new ATOM 1033 N SER A 77 14.001 -1.892 -5.803 1.00 0.00 N ATOM 1034 CA SER A 77 13.822 -3.281 -6.171 1.00 0.00 C ATOM 1035 C SER A 77 12.345 -3.622 -6.012 1.00 0.00 C ATOM 1036 O SER A 77 11.568 -2.827 -5.476 1.00 0.00 O ATOM 1037 CB SER A 77 14.696 -4.140 -5.250 1.00 0.00 C ATOM 1038 OG SER A 77 14.503 -3.731 -3.909 1.00 0.00 O ATOM 0 H SER A 77 13.501 -1.650 -4.948 1.00 0.00 H new ATOM 0 HA SER A 77 14.118 -3.469 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.438 -5.193 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.746 -4.038 -5.526 1.00 0.00 H new ATOM 0 HG SER A 77 15.059 -4.279 -3.317 1.00 0.00 H new ATOM 1043 N THR A 78 11.942 -4.787 -6.509 1.00 0.00 N ATOM 1044 CA THR A 78 10.614 -5.301 -6.286 1.00 0.00 C ATOM 1045 C THR A 78 10.502 -5.745 -4.824 1.00 0.00 C ATOM 1046 O THR A 78 11.393 -6.421 -4.315 1.00 0.00 O ATOM 1047 CB THR A 78 10.389 -6.438 -7.286 1.00 0.00 C ATOM 1048 OG1 THR A 78 11.548 -7.247 -7.343 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.169 -5.870 -8.692 1.00 0.00 C ATOM 0 H THR A 78 12.534 -5.394 -7.076 1.00 0.00 H new ATOM 0 HA THR A 78 9.838 -4.553 -6.448 1.00 0.00 H new ATOM 0 HB THR A 78 9.519 -7.011 -6.964 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.406 -7.977 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.010 -6.688 -9.394 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.294 -5.220 -8.689 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.046 -5.297 -8.994 1.00 0.00 H new ATOM 1057 N MET A 79 9.433 -5.328 -4.144 1.00 0.00 N ATOM 1058 CA MET A 79 9.170 -5.629 -2.747 1.00 0.00 C ATOM 1059 C MET A 79 7.956 -6.552 -2.667 1.00 0.00 C ATOM 1060 O MET A 79 7.127 -6.575 -3.574 1.00 0.00 O ATOM 1061 CB MET A 79 8.900 -4.326 -1.981 1.00 0.00 C ATOM 1062 CG MET A 79 10.096 -3.363 -2.005 1.00 0.00 C ATOM 1063 SD MET A 79 11.596 -3.977 -1.195 1.00 0.00 S ATOM 1064 CE MET A 79 12.679 -2.545 -1.366 1.00 0.00 C ATOM 0 H MET A 79 8.706 -4.753 -4.570 1.00 0.00 H new ATOM 0 HA MET A 79 10.033 -6.122 -2.299 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.031 -3.830 -2.413 1.00 0.00 H new ATOM 0 HB3 MET A 79 8.651 -4.563 -0.947 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.333 -3.129 -3.043 1.00 0.00 H new ATOM 0 HG3 MET A 79 9.800 -2.429 -1.527 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.621 -2.738 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.872 -2.359 -2.422 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.199 -1.671 -0.926 1.00 0.00 H new ATOM 1072 N ARG A 80 7.859 -7.299 -1.567 1.00 0.00 N ATOM 1073 CA ARG A 80 6.739 -8.146 -1.206 1.00 0.00 C ATOM 1074 C ARG A 80 5.538 -7.263 -0.847 1.00 0.00 C ATOM 1075 O ARG A 80 5.516 -6.695 0.248 1.00 0.00 O ATOM 1076 CB ARG A 80 7.212 -8.972 0.006 1.00 0.00 C ATOM 1077 CG ARG A 80 6.177 -9.885 0.680 1.00 0.00 C ATOM 1078 CD ARG A 80 6.123 -11.287 0.069 1.00 0.00 C ATOM 1079 NE ARG A 80 5.372 -11.302 -1.193 1.00 0.00 N ATOM 1080 CZ ARG A 80 5.798 -11.751 -2.387 1.00 0.00 C ATOM 1081 NH1 ARG A 80 7.075 -12.091 -2.570 1.00 0.00 N ATOM 1082 NH2 ARG A 80 4.928 -11.860 -3.394 1.00 0.00 N ATOM 0 H ARG A 80 8.604 -7.326 -0.871 1.00 0.00 H new ATOM 0 HA ARG A 80 6.427 -8.803 -2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.051 -9.590 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.593 -8.281 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.411 -9.967 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.192 -9.425 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.137 -11.646 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.659 -11.974 0.776 1.00 0.00 H new ATOM 0 HE ARG A 80 4.422 -10.931 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.739 -12.012 -1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.387 -12.430 -3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.951 -11.604 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.241 -12.199 -4.304 1.00 0.00 H new ATOM 1093 N ILE A 81 4.539 -7.157 -1.734 1.00 0.00 N ATOM 1094 CA ILE A 81 3.240 -6.593 -1.378 1.00 0.00 C ATOM 1095 C ILE A 81 2.179 -7.687 -1.427 1.00 0.00 C ATOM 1096 O ILE A 81 2.199 -8.567 -2.287 1.00 0.00 O ATOM 1097 CB ILE A 81 2.795 -5.378 -2.226 1.00 0.00 C ATOM 1098 CG1 ILE A 81 3.097 -5.484 -3.723 1.00 0.00 C ATOM 1099 CG2 ILE A 81 3.287 -4.049 -1.652 1.00 0.00 C ATOM 1100 CD1 ILE A 81 4.451 -4.887 -4.105 1.00 0.00 C ATOM 0 H ILE A 81 4.611 -7.457 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 81 3.355 -6.202 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 81 1.708 -5.398 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.072 -6.533 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.312 -4.976 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.946 -3.230 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.890 -3.918 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.376 -4.050 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.606 -4.993 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.471 -3.830 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.243 -5.411 -3.571 1.00 0.00 H new ATOM 1111 N THR A 82 1.248 -7.608 -0.483 1.00 0.00 N ATOM 1112 CA THR A 82 0.009 -8.340 -0.435 1.00 0.00 C ATOM 1113 C THR A 82 -1.077 -7.345 -0.857 1.00 0.00 C ATOM 1114 O THR A 82 -1.490 -6.489 -0.072 1.00 0.00 O ATOM 1115 CB THR A 82 -0.158 -8.885 0.993 1.00 0.00 C ATOM 1116 OG1 THR A 82 0.415 -8.037 1.962 1.00 0.00 O ATOM 1117 CG2 THR A 82 0.577 -10.221 1.126 1.00 0.00 C ATOM 0 H THR A 82 1.356 -6.986 0.318 1.00 0.00 H new ATOM 0 HA THR A 82 -0.037 -9.202 -1.100 1.00 0.00 H new ATOM 0 HB THR A 82 -1.231 -8.975 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.026 -8.233 2.840 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.456 -10.604 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.162 -10.937 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.637 -10.076 0.917 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.481 -7.388 -2.131 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.463 -6.447 -2.646 1.00 0.00 C ATOM 1127 C ASP A 83 -3.854 -6.849 -2.168 1.00 0.00 C ATOM 1128 O ASP A 83 -4.367 -7.876 -2.612 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.399 -6.344 -4.169 1.00 0.00 C ATOM 1130 CG ASP A 83 -3.313 -5.219 -4.633 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -3.079 -4.081 -4.164 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -4.231 -5.518 -5.424 1.00 0.00 O ATOM 0 H ASP A 83 -1.141 -8.063 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.233 -5.454 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.375 -6.153 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.704 -7.287 -4.622 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.441 -6.081 -1.247 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.652 -6.441 -0.523 1.00 0.00 C ATOM 1138 C CYS A 84 -6.875 -5.893 -1.236 1.00 0.00 C ATOM 1139 O CYS A 84 -6.875 -4.733 -1.648 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.619 -5.877 0.903 1.00 0.00 C ATOM 1141 SG CYS A 84 -6.870 -6.596 1.986 1.00 0.00 S ATOM 0 H CYS A 84 -4.073 -5.168 -0.981 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.705 -7.529 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.633 -6.052 1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.761 -4.797 0.862 1.00 0.00 H new ATOM 1145 N ARG A 85 -7.913 -6.720 -1.372 1.00 0.00 N ATOM 1146 CA ARG A 85 -9.151 -6.348 -2.030 1.00 0.00 C ATOM 1147 C ARG A 85 -10.317 -6.946 -1.256 1.00 0.00 C ATOM 1148 O ARG A 85 -10.161 -8.010 -0.656 1.00 0.00 O ATOM 1149 CB ARG A 85 -9.118 -6.886 -3.466 1.00 0.00 C ATOM 1150 CG ARG A 85 -10.281 -6.359 -4.312 1.00 0.00 C ATOM 1151 CD ARG A 85 -10.042 -6.639 -5.797 1.00 0.00 C ATOM 1152 NE ARG A 85 -11.183 -6.167 -6.598 1.00 0.00 N ATOM 1153 CZ ARG A 85 -11.220 -6.143 -7.940 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -10.168 -6.578 -8.642 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -12.309 -5.687 -8.571 1.00 0.00 N ATOM 0 H ARG A 85 -7.910 -7.678 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.269 -5.265 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.175 -6.606 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.152 -7.975 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.211 -6.830 -3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -10.396 -5.287 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.129 -6.142 -6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.897 -7.708 -5.953 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.006 -5.834 -6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.341 -6.927 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.193 -6.561 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.110 -5.358 -8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.338 -5.669 -9.590 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.487 -6.307 -1.319 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.711 -6.900 -0.807 1.00 0.00 C ATOM 1168 C GLU A 86 -13.298 -7.801 -1.891 1.00 0.00 C ATOM 1169 O GLU A 86 -13.470 -7.375 -3.033 1.00 0.00 O ATOM 1170 CB GLU A 86 -13.722 -5.818 -0.433 1.00 0.00 C ATOM 1171 CG GLU A 86 -13.271 -5.001 0.782 1.00 0.00 C ATOM 1172 CD GLU A 86 -14.342 -4.002 1.194 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.524 -4.411 1.172 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -13.973 -2.859 1.532 1.00 0.00 O ATOM 0 H GLU A 86 -11.606 -5.377 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.487 -7.478 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.869 -5.151 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.686 -6.281 -0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.053 -5.670 1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.347 -4.473 0.547 1.00 0.00 H new ATOM 1179 N THR A 87 -13.586 -9.057 -1.550 1.00 0.00 N ATOM 1180 CA THR A 87 -14.189 -9.994 -2.482 1.00 0.00 C ATOM 1181 C THR A 87 -15.661 -9.641 -2.698 1.00 0.00 C ATOM 1182 O THR A 87 -16.264 -8.941 -1.877 1.00 0.00 O ATOM 1183 CB THR A 87 -14.031 -11.416 -1.931 1.00 0.00 C ATOM 1184 OG1 THR A 87 -14.430 -11.445 -0.576 1.00 0.00 O ATOM 1185 CG2 THR A 87 -12.565 -11.839 -2.011 1.00 0.00 C ATOM 0 H THR A 87 -13.407 -9.446 -0.624 1.00 0.00 H new ATOM 0 HA THR A 87 -13.689 -9.936 -3.449 1.00 0.00 H new ATOM 0 HB THR A 87 -14.649 -12.094 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 87 -14.330 -12.355 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.456 -12.850 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.236 -11.815 -3.050 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.956 -11.154 -1.422 1.00 0.00 H new ATOM 1193 N GLY A 88 -16.253 -10.167 -3.779 1.00 0.00 N ATOM 1194 CA GLY A 88 -17.682 -10.080 -4.062 1.00 0.00 C ATOM 1195 C GLY A 88 -18.463 -10.991 -3.112 1.00 0.00 C ATOM 1196 O GLY A 88 -19.136 -11.928 -3.530 1.00 0.00 O ATOM 0 H GLY A 88 -15.734 -10.676 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.021 -9.050 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.874 -10.369 -5.095 1.00 0.00 H new ATOM 1199 N SER A 89 -18.329 -10.667 -1.830 1.00 0.00 N ATOM 1200 CA SER A 89 -18.720 -11.412 -0.647 1.00 0.00 C ATOM 1201 C SER A 89 -18.729 -10.449 0.544 1.00 0.00 C ATOM 1202 O SER A 89 -19.545 -10.604 1.449 1.00 0.00 O ATOM 1203 CB SER A 89 -17.715 -12.539 -0.358 1.00 0.00 C ATOM 1204 OG SER A 89 -17.427 -13.308 -1.509 1.00 0.00 O ATOM 0 H SER A 89 -17.897 -9.780 -1.571 1.00 0.00 H new ATOM 0 HA SER A 89 -19.705 -11.851 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.791 -12.109 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.115 -13.189 0.420 1.00 0.00 H new ATOM 0 HG SER A 89 -16.784 -14.011 -1.280 1.00 0.00 H new ATOM 1209 N SER A 90 -17.805 -9.476 0.550 1.00 0.00 N ATOM 1210 CA SER A 90 -17.698 -8.457 1.580 1.00 0.00 C ATOM 1211 C SER A 90 -19.039 -7.742 1.762 1.00 0.00 C ATOM 1212 O SER A 90 -19.592 -7.200 0.807 1.00 0.00 O ATOM 1213 CB SER A 90 -16.587 -7.484 1.175 1.00 0.00 C ATOM 1214 OG SER A 90 -16.151 -6.722 2.279 1.00 0.00 O ATOM 0 H SER A 90 -17.101 -9.383 -0.182 1.00 0.00 H new ATOM 0 HA SER A 90 -17.446 -8.908 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.747 -8.040 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.950 -6.819 0.391 1.00 0.00 H new ATOM 0 HG SER A 90 -16.101 -5.777 2.025 1.00 0.00 H new ATOM 1219 N LYS A 91 -19.580 -7.792 2.980 1.00 0.00 N ATOM 1220 CA LYS A 91 -20.914 -7.339 3.333 1.00 0.00 C ATOM 1221 C LYS A 91 -20.834 -6.624 4.680 1.00 0.00 C ATOM 1222 O LYS A 91 -21.202 -7.195 5.704 1.00 0.00 O ATOM 1223 CB LYS A 91 -21.842 -8.564 3.389 1.00 0.00 C ATOM 1224 CG LYS A 91 -22.326 -8.939 1.980 1.00 0.00 C ATOM 1225 CD LYS A 91 -23.034 -10.299 1.945 1.00 0.00 C ATOM 1226 CE LYS A 91 -24.344 -10.274 2.746 1.00 0.00 C ATOM 1227 NZ LYS A 91 -25.068 -11.559 2.665 1.00 0.00 N ATOM 0 H LYS A 91 -19.071 -8.168 3.780 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.314 -6.642 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.314 -9.407 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.698 -8.350 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -23.007 -8.169 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.474 -8.959 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.244 -10.574 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.373 -11.065 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.126 -10.046 3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.983 -9.474 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -25.946 -11.498 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.299 -11.765 1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.470 -12.319 3.046 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.360 -5.372 4.680 1.00 0.00 N ATOM 1238 CA TYR A 92 -20.189 -4.566 5.888 1.00 0.00 C ATOM 1239 C TYR A 92 -21.427 -4.683 6.789 1.00 0.00 C ATOM 1240 O TYR A 92 -22.542 -4.501 6.302 1.00 0.00 O ATOM 1241 CB TYR A 92 -19.960 -3.098 5.491 1.00 0.00 C ATOM 1242 CG TYR A 92 -19.990 -2.128 6.659 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -18.836 -1.925 7.435 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -21.213 -1.561 7.069 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -18.913 -1.208 8.640 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -21.287 -0.835 8.270 1.00 0.00 C ATOM 1247 CZ TYR A 92 -20.132 -0.645 9.046 1.00 0.00 C ATOM 1248 OH TYR A 92 -20.193 0.066 10.208 1.00 0.00 O ATOM 0 H TYR A 92 -20.082 -4.887 3.827 1.00 0.00 H new ATOM 0 HA TYR A 92 -19.325 -4.931 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -18.996 -3.015 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -20.722 -2.805 4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -17.888 -2.321 7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -22.096 -1.685 6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -18.033 -1.090 9.255 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -22.231 -0.424 8.596 1.00 0.00 H new ATOM 0 HH TYR A 92 -21.108 0.390 10.346 1.00 0.00 H new ATOM 1257 N PRO A 93 -21.264 -4.981 8.090 1.00 0.00 N ATOM 1258 CA PRO A 93 -20.006 -5.071 8.827 1.00 0.00 C ATOM 1259 C PRO A 93 -19.217 -6.366 8.587 1.00 0.00 C ATOM 1260 O PRO A 93 -18.037 -6.425 8.924 1.00 0.00 O ATOM 1261 CB PRO A 93 -20.404 -4.950 10.297 1.00 0.00 C ATOM 1262 CG PRO A 93 -21.813 -5.530 10.338 1.00 0.00 C ATOM 1263 CD PRO A 93 -22.391 -5.076 9.000 1.00 0.00 C ATOM 0 HA PRO A 93 -19.328 -4.287 8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.724 -5.505 10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.388 -3.913 10.632 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -21.803 -6.616 10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -22.387 -5.145 11.181 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -23.130 -5.788 8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -22.895 -4.115 9.099 1.00 0.00 H new ATOM 1268 N ASN A 94 -19.828 -7.391 7.991 1.00 0.00 N ATOM 1269 CA ASN A 94 -19.157 -8.633 7.610 1.00 0.00 C ATOM 1270 C ASN A 94 -18.298 -8.384 6.366 1.00 0.00 C ATOM 1271 O ASN A 94 -18.536 -8.951 5.300 1.00 0.00 O ATOM 1272 CB ASN A 94 -20.209 -9.742 7.391 1.00 0.00 C ATOM 1273 CG ASN A 94 -20.513 -10.518 8.670 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -20.543 -11.743 8.669 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -20.744 -9.816 9.776 1.00 0.00 N ATOM 0 H ASN A 94 -20.820 -7.380 7.756 1.00 0.00 H new ATOM 0 HA ASN A 94 -18.492 -8.970 8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -21.129 -9.296 7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -19.851 -10.432 6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -20.952 -10.297 10.651 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -20.713 -8.797 9.749 1.00 0.00 H new ATOM 1281 N CYS A 95 -17.291 -7.516 6.489 1.00 0.00 N ATOM 1282 CA CYS A 95 -16.361 -7.250 5.400 1.00 0.00 C ATOM 1283 C CYS A 95 -15.485 -8.484 5.185 1.00 0.00 C ATOM 1284 O CYS A 95 -15.169 -9.182 6.148 1.00 0.00 O ATOM 1285 CB CYS A 95 -15.510 -6.005 5.678 1.00 0.00 C ATOM 1286 SG CYS A 95 -16.456 -4.466 5.730 1.00 0.00 S ATOM 0 H CYS A 95 -17.102 -6.985 7.339 1.00 0.00 H new ATOM 0 HA CYS A 95 -16.926 -7.045 4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -14.994 -6.135 6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -14.743 -5.922 4.908 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.116 -8.771 3.934 1.00 0.00 N ATOM 1291 CA ALA A 96 -14.398 -9.986 3.561 1.00 0.00 C ATOM 1292 C ALA A 96 -13.263 -9.637 2.604 1.00 0.00 C ATOM 1293 O ALA A 96 -13.485 -9.459 1.404 1.00 0.00 O ATOM 1294 CB ALA A 96 -15.365 -10.998 2.939 1.00 0.00 C ATOM 0 H ALA A 96 -15.311 -8.156 3.144 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.965 -10.444 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.820 -11.901 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.143 -11.249 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.822 -10.565 2.049 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.047 -9.531 3.142 1.00 0.00 N ATOM 1301 CA TYR A 97 -10.875 -9.172 2.366 1.00 0.00 C ATOM 1302 C TYR A 97 -10.075 -10.406 1.933 1.00 0.00 C ATOM 1303 O TYR A 97 -10.048 -11.416 2.639 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.009 -8.219 3.179 1.00 0.00 C ATOM 1305 CG TYR A 97 -10.581 -6.836 3.396 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -11.293 -6.529 4.571 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -10.175 -5.800 2.538 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -11.555 -5.188 4.904 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -10.335 -4.467 2.934 1.00 0.00 C ATOM 1310 CZ TYR A 97 -11.071 -4.153 4.084 1.00 0.00 C ATOM 1311 OH TYR A 97 -11.119 -2.861 4.523 1.00 0.00 O ATOM 0 H TYR A 97 -11.854 -9.693 4.130 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.203 -8.676 1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.820 -8.671 4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.045 -8.119 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -11.638 -7.323 5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.741 -6.031 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.128 -4.953 5.789 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.889 -3.676 2.350 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.264 -2.625 4.939 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.402 -10.309 0.782 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.553 -11.332 0.186 1.00 0.00 C ATOM 1322 C LYS A 98 -7.374 -10.597 -0.467 1.00 0.00 C ATOM 1323 O LYS A 98 -7.590 -9.585 -1.133 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.407 -12.128 -0.820 1.00 0.00 C ATOM 1325 CG LYS A 98 -8.833 -13.443 -1.376 1.00 0.00 C ATOM 1326 CD LYS A 98 -7.539 -13.213 -2.161 1.00 0.00 C ATOM 1327 CE LYS A 98 -7.150 -14.356 -3.103 1.00 0.00 C ATOM 1328 NZ LYS A 98 -5.918 -14.011 -3.846 1.00 0.00 N ATOM 0 H LYS A 98 -9.441 -9.464 0.213 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.156 -12.047 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.360 -12.356 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.623 -11.474 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.641 -14.132 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.571 -13.917 -2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.642 -12.298 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.725 -13.050 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.994 -15.271 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.962 -14.552 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.514 -14.872 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.146 -13.331 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.227 -13.588 -3.194 1.00 0.00 H new ATOM 1338 N THR A 99 -6.138 -11.070 -0.245 1.00 0.00 N ATOM 1339 CA THR A 99 -4.926 -10.456 -0.791 1.00 0.00 C ATOM 1340 C THR A 99 -4.366 -11.202 -2.007 1.00 0.00 C ATOM 1341 O THR A 99 -4.595 -12.403 -2.177 1.00 0.00 O ATOM 1342 CB THR A 99 -3.864 -10.255 0.312 1.00 0.00 C ATOM 1343 OG1 THR A 99 -3.442 -8.909 0.333 1.00 0.00 O ATOM 1344 CG2 THR A 99 -2.593 -11.090 0.131 1.00 0.00 C ATOM 0 H THR A 99 -5.954 -11.896 0.324 1.00 0.00 H new ATOM 0 HA THR A 99 -5.212 -9.472 -1.163 1.00 0.00 H new ATOM 0 HB THR A 99 -4.360 -10.568 1.231 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.108 -8.365 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.904 -10.886 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.851 -12.149 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.119 -10.830 -0.816 1.00 0.00 H new ATOM 1352 N THR A 100 -3.573 -10.503 -2.819 1.00 0.00 N ATOM 1353 CA THR A 100 -2.781 -11.070 -3.900 1.00 0.00 C ATOM 1354 C THR A 100 -1.300 -10.798 -3.617 1.00 0.00 C ATOM 1355 O THR A 100 -0.851 -9.656 -3.677 1.00 0.00 O ATOM 1356 CB THR A 100 -3.257 -10.481 -5.234 1.00 0.00 C ATOM 1357 OG1 THR A 100 -4.671 -10.537 -5.268 1.00 0.00 O ATOM 1358 CG2 THR A 100 -2.713 -11.281 -6.422 1.00 0.00 C ATOM 0 H THR A 100 -3.464 -9.492 -2.736 1.00 0.00 H new ATOM 0 HA THR A 100 -2.908 -12.151 -3.966 1.00 0.00 H new ATOM 0 HB THR A 100 -2.895 -9.456 -5.310 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.993 -10.162 -6.114 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.069 -10.838 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.623 -11.263 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.060 -12.312 -6.355 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.547 -11.846 -3.273 1.00 0.00 N ATOM 1367 CA GLN A 101 0.896 -11.788 -3.084 1.00 0.00 C ATOM 1368 C GLN A 101 1.566 -11.446 -4.417 1.00 0.00 C ATOM 1369 O GLN A 101 1.448 -12.238 -5.348 1.00 0.00 O ATOM 1370 CB GLN A 101 1.383 -13.176 -2.632 1.00 0.00 C ATOM 1371 CG GLN A 101 1.026 -13.513 -1.179 1.00 0.00 C ATOM 1372 CD GLN A 101 2.020 -12.933 -0.175 1.00 0.00 C ATOM 1373 OE1 GLN A 101 2.845 -12.083 -0.512 1.00 0.00 O ATOM 1374 NE2 GLN A 101 1.951 -13.408 1.065 1.00 0.00 N ATOM 0 H GLN A 101 -0.936 -12.776 -3.116 1.00 0.00 H new ATOM 0 HA GLN A 101 1.145 -11.032 -2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.953 -13.933 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.465 -13.228 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.029 -13.133 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.988 -14.596 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.252 -14.112 1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.597 -13.068 1.778 1.00 0.00 H new ATOM 1381 N VAL A 102 2.299 -10.329 -4.506 1.00 0.00 N ATOM 1382 CA VAL A 102 3.132 -10.017 -5.667 1.00 0.00 C ATOM 1383 C VAL A 102 4.430 -9.318 -5.234 1.00 0.00 C ATOM 1384 O VAL A 102 4.441 -8.539 -4.281 1.00 0.00 O ATOM 1385 CB VAL A 102 2.360 -9.195 -6.724 1.00 0.00 C ATOM 1386 CG1 VAL A 102 1.078 -9.883 -7.205 1.00 0.00 C ATOM 1387 CG2 VAL A 102 2.009 -7.780 -6.252 1.00 0.00 C ATOM 0 H VAL A 102 2.329 -9.619 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 102 3.405 -10.958 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 102 3.057 -9.124 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.583 -9.254 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.327 -10.844 -7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.410 -10.040 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.468 -7.257 -7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.384 -7.838 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.925 -7.237 -6.018 1.00 0.00 H new ATOM 1397 N GLU A 103 5.527 -9.618 -5.931 1.00 0.00 N ATOM 1398 CA GLU A 103 6.822 -8.964 -5.816 1.00 0.00 C ATOM 1399 C GLU A 103 6.930 -7.875 -6.891 1.00 0.00 C ATOM 1400 O GLU A 103 7.334 -8.165 -8.016 1.00 0.00 O ATOM 1401 CB GLU A 103 7.978 -9.984 -5.896 1.00 0.00 C ATOM 1402 CG GLU A 103 7.689 -11.259 -6.707 1.00 0.00 C ATOM 1403 CD GLU A 103 6.919 -12.268 -5.872 1.00 0.00 C ATOM 1404 OE1 GLU A 103 7.555 -12.930 -5.028 1.00 0.00 O ATOM 1405 OE2 GLU A 103 5.670 -12.247 -5.940 1.00 0.00 O ATOM 0 H GLU A 103 5.531 -10.364 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 103 6.905 -8.493 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.846 -9.488 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.252 -10.275 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.116 -11.006 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.627 -11.700 -7.045 1.00 0.00 H new ATOM 1410 N LYS A 104 6.577 -6.627 -6.567 1.00 0.00 N ATOM 1411 CA LYS A 104 6.603 -5.492 -7.496 1.00 0.00 C ATOM 1412 C LYS A 104 7.217 -4.281 -6.797 1.00 0.00 C ATOM 1413 O LYS A 104 7.278 -4.235 -5.570 1.00 0.00 O ATOM 1414 CB LYS A 104 5.199 -5.152 -8.008 1.00 0.00 C ATOM 1415 CG LYS A 104 4.885 -5.709 -9.397 1.00 0.00 C ATOM 1416 CD LYS A 104 4.686 -7.225 -9.375 1.00 0.00 C ATOM 1417 CE LYS A 104 3.567 -7.629 -10.336 1.00 0.00 C ATOM 1418 NZ LYS A 104 3.933 -7.388 -11.748 1.00 0.00 N ATOM 0 H LYS A 104 6.259 -6.372 -5.632 1.00 0.00 H new ATOM 0 HA LYS A 104 7.209 -5.767 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.464 -5.536 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.085 -4.068 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.985 -5.231 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.697 -5.460 -10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.613 -7.724 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.442 -7.552 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.334 -8.685 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.663 -7.069 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.146 -7.676 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.130 -6.376 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.780 -7.942 -11.986 1.00 0.00 H new ATOM 1428 N HIS A 105 7.691 -3.294 -7.561 1.00 0.00 N ATOM 1429 CA HIS A 105 8.247 -2.087 -6.965 1.00 0.00 C ATOM 1430 C HIS A 105 7.090 -1.266 -6.418 1.00 0.00 C ATOM 1431 O HIS A 105 6.271 -0.800 -7.204 1.00 0.00 O ATOM 1432 CB HIS A 105 8.986 -1.206 -7.979 1.00 0.00 C ATOM 1433 CG HIS A 105 9.982 -1.902 -8.863 1.00 0.00 C ATOM 1434 ND1 HIS A 105 9.687 -2.486 -10.075 1.00 0.00 N ATOM 1435 CD2 HIS A 105 11.339 -1.914 -8.703 1.00 0.00 C ATOM 1436 CE1 HIS A 105 10.843 -2.869 -10.642 1.00 0.00 C ATOM 1437 NE2 HIS A 105 11.860 -2.531 -9.823 1.00 0.00 N ATOM 0 H HIS A 105 7.699 -3.310 -8.581 1.00 0.00 H new ATOM 0 HA HIS A 105 8.959 -2.395 -6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.245 -0.720 -8.614 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.505 -0.418 -7.434 1.00 0.00 H new ATOM 0 HD2 HIS A 105 11.895 -1.519 -7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.942 -3.366 -11.596 1.00 0.00 H new ATOM 0 HE2 HIS A 105 12.850 -2.703 -10.001 1.00 0.00 H new ATOM 1445 N ILE A 106 7.017 -1.038 -5.109 1.00 0.00 N ATOM 1446 CA ILE A 106 6.056 -0.072 -4.601 1.00 0.00 C ATOM 1447 C ILE A 106 6.392 1.306 -5.182 1.00 0.00 C ATOM 1448 O ILE A 106 7.570 1.648 -5.324 1.00 0.00 O ATOM 1449 CB ILE A 106 6.019 -0.065 -3.063 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.398 0.221 -2.442 1.00 0.00 C ATOM 1451 CG2 ILE A 106 5.457 -1.402 -2.574 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.358 0.369 -0.923 1.00 0.00 C ATOM 0 H ILE A 106 7.594 -1.495 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 106 5.052 -0.353 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 106 5.370 0.748 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.081 -0.587 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.803 1.134 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.427 -1.407 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.449 -1.538 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.095 -2.214 -2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.363 0.569 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.700 1.196 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.983 -0.552 -0.477 1.00 0.00 H new ATOM 1463 N ILE A 107 5.359 2.070 -5.536 1.00 0.00 N ATOM 1464 CA ILE A 107 5.454 3.437 -6.012 1.00 0.00 C ATOM 1465 C ILE A 107 4.865 4.312 -4.899 1.00 0.00 C ATOM 1466 O ILE A 107 3.644 4.341 -4.731 1.00 0.00 O ATOM 1467 CB ILE A 107 4.716 3.598 -7.359 1.00 0.00 C ATOM 1468 CG1 ILE A 107 4.972 2.476 -8.387 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.051 4.965 -7.964 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.405 2.398 -8.888 1.00 0.00 C ATOM 0 H ILE A 107 4.397 1.734 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 107 6.483 3.734 -6.214 1.00 0.00 H new ATOM 0 HB ILE A 107 3.654 3.523 -7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.705 1.520 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.309 2.623 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.531 5.079 -8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.735 5.753 -7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.126 5.037 -8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.496 1.583 -9.606 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.673 3.338 -9.370 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.075 2.217 -8.047 1.00 0.00 H new ATOM 1481 N VAL A 108 5.710 4.960 -4.086 1.00 0.00 N ATOM 1482 CA VAL A 108 5.262 5.733 -2.925 1.00 0.00 C ATOM 1483 C VAL A 108 5.317 7.233 -3.201 1.00 0.00 C ATOM 1484 O VAL A 108 5.927 7.671 -4.171 1.00 0.00 O ATOM 1485 CB VAL A 108 6.001 5.351 -1.627 1.00 0.00 C ATOM 1486 CG1 VAL A 108 6.052 3.830 -1.446 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.403 5.960 -1.529 1.00 0.00 C ATOM 0 H VAL A 108 6.722 4.962 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 108 4.218 5.469 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 108 5.420 5.780 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.579 3.591 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.037 3.435 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.576 3.381 -2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.869 5.652 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.009 5.614 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.330 7.047 -1.558 1.00 0.00 H new ATOM 1497 N ALA A 109 4.679 8.023 -2.339 1.00 0.00 N ATOM 1498 CA ALA A 109 4.579 9.466 -2.456 1.00 0.00 C ATOM 1499 C ALA A 109 5.292 10.097 -1.259 1.00 0.00 C ATOM 1500 O ALA A 109 4.770 10.006 -0.145 1.00 0.00 O ATOM 1501 CB ALA A 109 3.096 9.829 -2.449 1.00 0.00 C ATOM 0 H ALA A 109 4.203 7.658 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 109 5.040 9.830 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.986 10.910 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.599 9.345 -3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.643 9.492 -1.517 1.00 0.00 H new ATOM 1507 N CYS A 110 6.475 10.694 -1.464 1.00 0.00 N ATOM 1508 CA CYS A 110 7.270 11.279 -0.378 1.00 0.00 C ATOM 1509 C CYS A 110 7.164 12.798 -0.273 1.00 0.00 C ATOM 1510 O CYS A 110 7.028 13.476 -1.293 1.00 0.00 O ATOM 1511 CB CYS A 110 8.731 10.816 -0.419 1.00 0.00 C ATOM 1512 SG CYS A 110 9.446 10.861 1.222 1.00 0.00 S ATOM 0 H CYS A 110 6.905 10.784 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 110 6.822 10.893 0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.787 9.804 -0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 110 9.304 11.457 -1.090 1.00 0.00 H new ATOM 1516 N GLY A 111 7.220 13.318 0.959 1.00 0.00 N ATOM 1517 CA GLY A 111 7.209 14.742 1.251 1.00 0.00 C ATOM 1518 C GLY A 111 7.203 14.950 2.766 1.00 0.00 C ATOM 1519 O GLY A 111 7.594 14.054 3.511 1.00 0.00 O ATOM 0 H GLY A 111 7.275 12.739 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.083 15.221 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.331 15.209 0.805 1.00 0.00 H new ATOM 1522 N GLY A 112 6.731 16.119 3.216 1.00 0.00 N ATOM 1523 CA GLY A 112 6.475 16.398 4.625 1.00 0.00 C ATOM 1524 C GLY A 112 7.753 16.411 5.465 1.00 0.00 C ATOM 1525 O GLY A 112 7.914 15.565 6.335 1.00 0.00 O ATOM 0 H GLY A 112 6.515 16.904 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.976 17.363 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.792 15.647 5.022 1.00 0.00 H new ATOM 1528 N LYS A 113 8.635 17.387 5.203 1.00 0.00 N ATOM 1529 CA LYS A 113 9.957 17.531 5.816 1.00 0.00 C ATOM 1530 C LYS A 113 10.003 17.144 7.312 1.00 0.00 C ATOM 1531 O LYS A 113 9.177 17.646 8.075 1.00 0.00 O ATOM 1532 CB LYS A 113 10.491 18.955 5.583 1.00 0.00 C ATOM 1533 CG LYS A 113 9.649 20.063 6.235 1.00 0.00 C ATOM 1534 CD LYS A 113 10.261 21.439 5.937 1.00 0.00 C ATOM 1535 CE LYS A 113 9.465 22.544 6.647 1.00 0.00 C ATOM 1536 NZ LYS A 113 10.051 23.884 6.431 1.00 0.00 N ATOM 0 H LYS A 113 8.435 18.127 4.530 1.00 0.00 H new ATOM 0 HA LYS A 113 10.611 16.813 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.509 19.016 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.544 19.139 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 113 8.627 20.022 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.598 19.905 7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.300 21.461 6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.264 21.618 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.437 22.537 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.429 22.333 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.480 24.597 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.024 23.901 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.062 24.098 5.413 1.00 0.00 H new ATOM 1546 N PRO A 114 10.967 16.321 7.771 1.00 0.00 N ATOM 1547 CA PRO A 114 11.978 15.619 6.985 1.00 0.00 C ATOM 1548 C PRO A 114 11.285 14.620 6.063 1.00 0.00 C ATOM 1549 O PRO A 114 10.294 14.016 6.452 1.00 0.00 O ATOM 1550 CB PRO A 114 12.877 14.911 8.003 1.00 0.00 C ATOM 1551 CG PRO A 114 11.936 14.668 9.181 1.00 0.00 C ATOM 1552 CD PRO A 114 11.057 15.918 9.164 1.00 0.00 C ATOM 0 HA PRO A 114 12.566 16.288 6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.278 13.978 7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.729 15.529 8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 114 11.350 13.758 9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 114 12.479 14.566 10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.070 15.707 9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.493 16.710 9.773 1.00 0.00 H new ATOM 1557 N SER A 115 11.769 14.494 4.827 1.00 0.00 N ATOM 1558 CA SER A 115 11.032 13.802 3.778 1.00 0.00 C ATOM 1559 C SER A 115 10.735 12.345 4.161 1.00 0.00 C ATOM 1560 O SER A 115 11.665 11.563 4.357 1.00 0.00 O ATOM 1561 CB SER A 115 11.804 13.894 2.455 1.00 0.00 C ATOM 1562 OG SER A 115 10.911 13.769 1.367 1.00 0.00 O ATOM 0 H SER A 115 12.672 14.865 4.531 1.00 0.00 H new ATOM 0 HA SER A 115 10.067 14.292 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.331 14.847 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.559 13.109 2.409 1.00 0.00 H new ATOM 0 HG SER A 115 10.506 12.877 1.377 1.00 0.00 H new ATOM 1567 N VAL A 116 9.453 11.982 4.264 1.00 0.00 N ATOM 1568 CA VAL A 116 8.983 10.650 4.634 1.00 0.00 C ATOM 1569 C VAL A 116 7.797 10.291 3.733 1.00 0.00 C ATOM 1570 O VAL A 116 7.097 11.198 3.274 1.00 0.00 O ATOM 1571 CB VAL A 116 8.560 10.642 6.113 1.00 0.00 C ATOM 1572 CG1 VAL A 116 9.782 10.712 7.036 1.00 0.00 C ATOM 1573 CG2 VAL A 116 7.601 11.797 6.436 1.00 0.00 C ATOM 0 H VAL A 116 8.689 12.634 4.085 1.00 0.00 H new ATOM 0 HA VAL A 116 9.777 9.915 4.503 1.00 0.00 H new ATOM 0 HB VAL A 116 8.036 9.702 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.454 10.705 8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.426 9.852 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.336 11.629 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.325 11.757 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.092 12.747 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 116 6.704 11.708 5.823 1.00 0.00 H new ATOM 1583 N PRO A 117 7.580 9.007 3.401 1.00 0.00 N ATOM 1584 CA PRO A 117 6.469 8.660 2.540 1.00 0.00 C ATOM 1585 C PRO A 117 5.140 8.846 3.268 1.00 0.00 C ATOM 1586 O PRO A 117 5.025 8.494 4.439 1.00 0.00 O ATOM 1587 CB PRO A 117 6.753 7.265 1.986 1.00 0.00 C ATOM 1588 CG PRO A 117 7.821 6.675 2.909 1.00 0.00 C ATOM 1589 CD PRO A 117 8.463 7.870 3.624 1.00 0.00 C ATOM 0 HA PRO A 117 6.369 9.327 1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 117 5.852 6.651 1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.107 7.315 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.379 5.982 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.563 6.115 2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.576 7.670 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.459 8.069 3.229 1.00 0.00 H new ATOM 1594 N VAL A 118 4.173 9.470 2.583 1.00 0.00 N ATOM 1595 CA VAL A 118 2.887 9.892 3.131 1.00 0.00 C ATOM 1596 C VAL A 118 1.704 9.353 2.324 1.00 0.00 C ATOM 1597 O VAL A 118 0.572 9.377 2.808 1.00 0.00 O ATOM 1598 CB VAL A 118 2.815 11.430 3.227 1.00 0.00 C ATOM 1599 CG1 VAL A 118 3.741 11.972 4.320 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.146 12.123 1.896 1.00 0.00 C ATOM 0 H VAL A 118 4.273 9.701 1.595 1.00 0.00 H new ATOM 0 HA VAL A 118 2.814 9.468 4.133 1.00 0.00 H new ATOM 0 HB VAL A 118 1.781 11.659 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 118 3.663 13.059 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.450 11.554 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.770 11.690 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.080 13.204 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.156 11.855 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.437 11.803 1.133 1.00 0.00 H new ATOM 1610 N HIS A 119 1.929 8.884 1.094 1.00 0.00 N ATOM 1611 CA HIS A 119 0.899 8.209 0.323 1.00 0.00 C ATOM 1612 C HIS A 119 1.546 7.144 -0.550 1.00 0.00 C ATOM 1613 O HIS A 119 2.769 7.013 -0.595 1.00 0.00 O ATOM 1614 CB HIS A 119 0.055 9.209 -0.486 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.351 8.735 -0.773 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -1.822 8.202 -1.964 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -2.379 8.727 0.133 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -3.120 7.899 -1.788 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.481 8.213 -0.527 1.00 0.00 N ATOM 0 H HIS A 119 2.825 8.964 0.613 1.00 0.00 H new ATOM 0 HA HIS A 119 0.202 7.715 1.000 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.006 10.152 0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.559 9.413 -1.431 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.282 8.065 -2.818 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.337 9.057 1.160 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.770 7.472 -2.537 1.00 0.00 H new ATOM 1627 N PHE A 120 0.701 6.393 -1.248 1.00 0.00 N ATOM 1628 CA PHE A 120 1.060 5.381 -2.218 1.00 0.00 C ATOM 1629 C PHE A 120 0.383 5.737 -3.536 1.00 0.00 C ATOM 1630 O PHE A 120 -0.717 6.300 -3.506 1.00 0.00 O ATOM 1631 CB PHE A 120 0.571 4.044 -1.666 1.00 0.00 C ATOM 1632 CG PHE A 120 0.570 2.899 -2.648 1.00 0.00 C ATOM 1633 CD1 PHE A 120 1.774 2.238 -2.942 1.00 0.00 C ATOM 1634 CD2 PHE A 120 -0.654 2.374 -3.101 1.00 0.00 C ATOM 1635 CE1 PHE A 120 1.741 0.981 -3.563 1.00 0.00 C ATOM 1636 CE2 PHE A 120 -0.678 1.153 -3.790 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.517 0.448 -4.004 1.00 0.00 C ATOM 0 H PHE A 120 -0.309 6.484 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 120 2.134 5.320 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.196 3.771 -0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.442 4.176 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.720 2.695 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.573 2.910 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.655 0.423 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.614 0.756 -4.155 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.496 -0.507 -4.509 1.00 0.00 H new ATOM 1646 N ASP A 121 1.041 5.445 -4.662 1.00 0.00 N ATOM 1647 CA ASP A 121 0.455 5.542 -5.990 1.00 0.00 C ATOM 1648 C ASP A 121 -0.044 4.180 -6.492 1.00 0.00 C ATOM 1649 O ASP A 121 -1.207 4.058 -6.877 1.00 0.00 O ATOM 1650 CB ASP A 121 1.472 6.129 -6.971 1.00 0.00 C ATOM 1651 CG ASP A 121 0.816 6.217 -8.335 1.00 0.00 C ATOM 1652 OD1 ASP A 121 0.018 7.154 -8.549 1.00 0.00 O ATOM 1653 OD2 ASP A 121 0.978 5.278 -9.146 1.00 0.00 O ATOM 0 H ASP A 121 2.011 5.130 -4.670 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.408 6.205 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.794 7.116 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.362 5.502 -7.017 1.00 0.00 H new ATOM 1657 N ALA A 122 0.841 3.178 -6.529 1.00 0.00 N ATOM 1658 CA ALA A 122 0.622 1.875 -7.154 1.00 0.00 C ATOM 1659 C ALA A 122 1.853 1.006 -6.874 1.00 0.00 C ATOM 1660 O ALA A 122 2.770 1.475 -6.204 1.00 0.00 O ATOM 1661 CB ALA A 122 0.423 2.042 -8.667 1.00 0.00 C ATOM 0 H ALA A 122 1.766 3.259 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.273 1.404 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.261 1.065 -9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.443 2.677 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.310 2.502 -9.102 1.00 0.00 H new ATOM 1667 N SER A 123 1.909 -0.225 -7.399 1.00 0.00 N ATOM 1668 CA SER A 123 3.120 -1.040 -7.369 1.00 0.00 C ATOM 1669 C SER A 123 3.400 -1.628 -8.749 1.00 0.00 C ATOM 1670 O SER A 123 2.530 -2.308 -9.293 1.00 0.00 O ATOM 1671 CB SER A 123 3.008 -2.194 -6.365 1.00 0.00 C ATOM 1672 OG SER A 123 2.663 -1.735 -5.074 1.00 0.00 O ATOM 0 H SER A 123 1.117 -0.678 -7.854 1.00 0.00 H new ATOM 0 HA SER A 123 3.934 -0.383 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.257 -2.905 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.956 -2.729 -6.319 1.00 0.00 H new ATOM 0 HG SER A 123 2.293 -0.830 -5.137 1.00 0.00 H new ATOM 1677 N VAL A 124 4.606 -1.427 -9.292 1.00 0.00 N ATOM 1678 CA VAL A 124 5.074 -2.160 -10.456 1.00 0.00 C ATOM 1679 C VAL A 124 6.604 -2.162 -10.492 1.00 0.00 C ATOM 1680 CB VAL A 124 4.352 -1.744 -11.756 1.00 0.00 C ATOM 1681 CG1 VAL A 124 5.156 -0.822 -12.680 1.00 0.00 C ATOM 1682 CG2 VAL A 124 3.925 -3.017 -12.505 1.00 0.00 C ATOM 0 H VAL A 124 5.279 -0.750 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 124 4.789 -3.208 -10.369 1.00 0.00 H new ATOM 0 HB VAL A 124 3.491 -1.146 -11.457 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.564 -0.587 -13.564 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.400 0.099 -12.152 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.076 -1.322 -12.982 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.413 -2.742 -13.427 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.807 -3.612 -12.743 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.252 -3.601 -11.876 1.00 0.00 H new