USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 93 ASN : amide:sc= -6.21! K(o=-7.1!,f=-5.1) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 162:sc= -0.862 (180deg=-1.83!) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= -0.0952 (180deg=-0.555) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.489) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -179:sc= -1.03 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= -1.19 (180deg=-3.49!) USER MOD Single : A 43 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-0.17) USER MOD Single : A 44 SER OG : rot 113:sc= 0.823 USER MOD Single : A 46 SER OG : rot 92:sc= -0.783! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -3.13! K(o=-3.1!,f=-2.2) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 67 SER OG : rot 70:sc= 1.09 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 76 THR OG1 : rot -54:sc= -1.17 USER MOD Single : A 78 GLN : amide:sc= -5.42! C(o=-5.4!,f=-4.7!) USER MOD Single : A 81 LYS NZ :NH3+ 139:sc= -1.52! (180deg=-2.4!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.96! K(o=-3!,f=-0.36) USER MOD Single : A 85 LYS NZ :NH3+ -144:sc= 0.182 (180deg=0) USER MOD Single : A 90 SER OG : rot 133:sc= 1.18 USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= -10.5! (180deg=-12.3!) USER MOD Single : A 100 THR OG1 : rot 76:sc= 0.102 USER MOD Single : A 102 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.1) USER MOD Single : B 1 PHE N :NH3+ -108:sc= 0.00563 (180deg=-0.0398) USER MOD Single : B 5 TYR OH : rot 0:sc= -1.78 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HE2:sc= -0.577 K(o=-0.58,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.684 -1.963 8.322 1.00 0.73 N ATOM 2 CA MET A 1 -6.545 -2.432 9.162 1.00 0.31 C ATOM 3 C MET A 1 -5.246 -2.323 8.362 1.00 0.24 C ATOM 4 O MET A 1 -5.196 -2.648 7.193 1.00 0.21 O ATOM 5 CB MET A 1 -6.777 -3.889 9.567 1.00 0.70 C ATOM 6 CG MET A 1 -7.957 -3.968 10.538 1.00 1.55 C ATOM 7 SD MET A 1 -7.448 -3.323 12.154 1.00 2.25 S ATOM 8 CE MET A 1 -8.951 -2.385 12.532 1.00 2.89 C ATOM 0 H1 MET A 1 -8.168 -1.177 8.801 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.326 -1.640 7.401 1.00 0.73 H new ATOM 0 H3 MET A 1 -8.354 -2.745 8.178 1.00 0.73 H new ATOM 0 HA MET A 1 -6.473 -1.815 10.057 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.978 -4.495 8.684 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.880 -4.295 10.035 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.799 -3.393 10.153 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.294 -5.000 10.635 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.843 -1.901 13.503 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.110 -1.627 11.765 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.805 -3.061 12.556 1.00 2.89 H new ATOM 20 N VAL A 2 -4.191 -1.863 8.984 1.00 0.24 N ATOM 21 CA VAL A 2 -2.889 -1.726 8.265 1.00 0.19 C ATOM 22 C VAL A 2 -2.036 -2.976 8.502 1.00 0.22 C ATOM 23 O VAL A 2 -2.272 -3.734 9.422 1.00 0.28 O ATOM 24 CB VAL A 2 -2.149 -0.494 8.796 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.794 -0.361 8.092 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.988 0.758 8.527 1.00 0.30 C ATOM 0 H VAL A 2 -4.175 -1.575 9.962 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.072 -1.613 7.196 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.988 -0.604 9.869 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.271 0.516 8.472 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.196 -1.252 8.283 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.951 -0.253 7.019 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.463 1.636 8.904 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.149 0.865 7.454 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.950 0.666 9.031 1.00 0.30 H new ATOM 36 N LYS A 3 -1.039 -3.195 7.683 1.00 0.18 N ATOM 37 CA LYS A 3 -0.164 -4.394 7.864 1.00 0.22 C ATOM 38 C LYS A 3 1.217 -4.109 7.275 1.00 0.16 C ATOM 39 O LYS A 3 1.353 -3.756 6.120 1.00 0.13 O ATOM 40 CB LYS A 3 -0.774 -5.609 7.151 1.00 0.26 C ATOM 41 CG LYS A 3 -0.056 -6.881 7.612 1.00 0.34 C ATOM 42 CD LYS A 3 -0.739 -8.107 7.004 1.00 0.81 C ATOM 43 CE LYS A 3 -0.129 -9.377 7.601 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.906 -10.564 7.148 1.00 1.97 N ATOM 0 H LYS A 3 -0.792 -2.595 6.896 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.078 -4.610 8.929 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.839 -5.678 7.373 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.680 -5.496 6.071 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.991 -6.849 7.310 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.072 -6.946 8.700 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.810 -8.076 7.203 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.616 -8.106 5.921 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.912 -9.472 7.293 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.136 -9.319 8.689 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.767 -11.346 7.819 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.916 -10.321 7.104 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.578 -10.854 6.205 1.00 1.97 H new ATOM 58 N GLN A 4 2.246 -4.258 8.066 1.00 0.18 N ATOM 59 CA GLN A 4 3.626 -3.995 7.565 1.00 0.15 C ATOM 60 C GLN A 4 4.224 -5.285 6.994 1.00 0.13 C ATOM 61 O GLN A 4 4.157 -6.338 7.597 1.00 0.14 O ATOM 62 CB GLN A 4 4.487 -3.478 8.729 1.00 0.20 C ATOM 63 CG GLN A 4 5.982 -3.636 8.407 1.00 0.21 C ATOM 64 CD GLN A 4 6.811 -2.764 9.353 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.330 -2.333 10.382 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.048 -2.484 9.046 1.00 0.98 N ATOM 0 H GLN A 4 2.190 -4.552 9.041 1.00 0.18 H new ATOM 0 HA GLN A 4 3.598 -3.246 6.774 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.259 -2.429 8.919 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.245 -4.027 9.639 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.277 -4.680 8.508 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.173 -3.350 7.373 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.453 -2.845 8.182 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.609 -1.904 9.670 1.00 0.98 H new ATOM 75 N ILE A 5 4.823 -5.193 5.836 1.00 0.10 N ATOM 76 CA ILE A 5 5.457 -6.384 5.193 1.00 0.10 C ATOM 77 C ILE A 5 6.977 -6.245 5.311 1.00 0.10 C ATOM 78 O ILE A 5 7.564 -5.342 4.749 1.00 0.11 O ATOM 79 CB ILE A 5 5.078 -6.417 3.706 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.588 -6.057 3.502 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.377 -7.795 3.117 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.656 -6.953 4.337 1.00 0.19 C ATOM 0 H ILE A 5 4.901 -4.329 5.299 1.00 0.10 H new ATOM 0 HA ILE A 5 5.117 -7.298 5.680 1.00 0.10 H new ATOM 0 HB ILE A 5 5.678 -5.671 3.186 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.427 -5.014 3.774 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.333 -6.154 2.447 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.104 -7.807 2.062 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.440 -8.011 3.219 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.800 -8.551 3.649 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.620 -6.664 4.162 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.796 -7.994 4.047 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.891 -6.837 5.395 1.00 0.19 H new ATOM 94 N GLU A 6 7.620 -7.126 6.034 1.00 0.11 N ATOM 95 CA GLU A 6 9.105 -7.039 6.186 1.00 0.14 C ATOM 96 C GLU A 6 9.779 -8.106 5.316 1.00 0.14 C ATOM 97 O GLU A 6 10.983 -8.115 5.153 1.00 0.17 O ATOM 98 CB GLU A 6 9.487 -7.274 7.653 1.00 0.18 C ATOM 99 CG GLU A 6 8.547 -6.492 8.580 1.00 0.31 C ATOM 100 CD GLU A 6 7.240 -7.267 8.784 1.00 1.20 C ATOM 101 OE1 GLU A 6 7.099 -8.325 8.193 1.00 1.96 O ATOM 102 OE2 GLU A 6 6.405 -6.792 9.537 1.00 1.97 O ATOM 0 H GLU A 6 7.180 -7.903 6.527 1.00 0.11 H new ATOM 0 HA GLU A 6 9.437 -6.049 5.873 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.434 -8.338 7.884 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.518 -6.962 7.822 1.00 0.18 H new ATOM 0 HG2 GLU A 6 9.031 -6.322 9.542 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.334 -5.512 8.152 1.00 0.31 H new ATOM 109 N SER A 7 9.016 -9.012 4.761 1.00 0.13 N ATOM 110 CA SER A 7 9.624 -10.079 3.910 1.00 0.15 C ATOM 111 C SER A 7 8.619 -10.539 2.853 1.00 0.14 C ATOM 112 O SER A 7 7.422 -10.416 3.020 1.00 0.12 O ATOM 113 CB SER A 7 10.013 -11.267 4.789 1.00 0.20 C ATOM 114 OG SER A 7 8.904 -11.635 5.599 1.00 0.23 O ATOM 0 H SER A 7 8.002 -9.060 4.859 1.00 0.13 H new ATOM 0 HA SER A 7 10.509 -9.681 3.414 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.320 -12.109 4.168 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.866 -11.006 5.416 1.00 0.20 H new ATOM 0 HG SER A 7 9.150 -12.398 6.163 1.00 0.23 H new ATOM 120 N LYS A 8 9.103 -11.070 1.765 1.00 0.15 N ATOM 121 CA LYS A 8 8.190 -11.541 0.686 1.00 0.14 C ATOM 122 C LYS A 8 7.147 -12.501 1.270 1.00 0.14 C ATOM 123 O LYS A 8 6.032 -12.581 0.796 1.00 0.13 O ATOM 124 CB LYS A 8 9.013 -12.263 -0.388 1.00 0.17 C ATOM 125 CG LYS A 8 8.189 -12.387 -1.672 1.00 0.21 C ATOM 126 CD LYS A 8 8.871 -13.371 -2.627 1.00 0.22 C ATOM 127 CE LYS A 8 8.009 -13.554 -3.878 1.00 1.06 C ATOM 128 NZ LYS A 8 8.497 -14.731 -4.650 1.00 1.90 N ATOM 0 H LYS A 8 10.097 -11.199 1.576 1.00 0.15 H new ATOM 0 HA LYS A 8 7.677 -10.687 0.243 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.933 -11.713 -0.586 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.303 -13.252 -0.034 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.182 -12.731 -1.438 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.090 -11.412 -2.148 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.858 -13.000 -2.904 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.019 -14.331 -2.132 1.00 0.22 H new ATOM 0 HE2 LYS A 8 6.966 -13.698 -3.596 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.051 -12.657 -4.496 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.911 -14.856 -5.500 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.486 -14.576 -4.931 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.435 -15.584 -4.059 1.00 1.90 H new ATOM 142 N THR A 9 7.500 -13.237 2.288 1.00 0.16 N ATOM 143 CA THR A 9 6.525 -14.193 2.888 1.00 0.18 C ATOM 144 C THR A 9 5.297 -13.433 3.391 1.00 0.16 C ATOM 145 O THR A 9 4.173 -13.846 3.190 1.00 0.17 O ATOM 146 CB THR A 9 7.179 -14.929 4.053 1.00 0.21 C ATOM 147 OG1 THR A 9 8.340 -15.607 3.594 1.00 0.24 O ATOM 148 CG2 THR A 9 6.194 -15.938 4.645 1.00 0.25 C ATOM 0 H THR A 9 8.419 -13.218 2.730 1.00 0.16 H new ATOM 0 HA THR A 9 6.218 -14.913 2.129 1.00 0.18 H new ATOM 0 HB THR A 9 7.460 -14.210 4.822 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.761 -16.078 4.343 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.665 -16.461 5.477 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.307 -15.414 5.002 1.00 0.25 H new ATOM 0 HG23 THR A 9 5.907 -16.658 3.879 1.00 0.25 H new ATOM 156 N ALA A 10 5.506 -12.328 4.049 1.00 0.16 N ATOM 157 CA ALA A 10 4.354 -11.539 4.573 1.00 0.17 C ATOM 158 C ALA A 10 3.597 -10.898 3.404 1.00 0.15 C ATOM 159 O ALA A 10 2.423 -10.603 3.506 1.00 0.17 O ATOM 160 CB ALA A 10 4.879 -10.455 5.523 1.00 0.20 C ATOM 0 H ALA A 10 6.426 -11.935 4.248 1.00 0.16 H new ATOM 0 HA ALA A 10 3.672 -12.193 5.116 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.042 -9.874 5.910 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.410 -10.924 6.352 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.559 -9.796 4.983 1.00 0.20 H new ATOM 166 N PHE A 11 4.254 -10.679 2.297 1.00 0.12 N ATOM 167 CA PHE A 11 3.557 -10.055 1.134 1.00 0.11 C ATOM 168 C PHE A 11 2.397 -10.943 0.686 1.00 0.13 C ATOM 169 O PHE A 11 1.244 -10.591 0.833 1.00 0.16 O ATOM 170 CB PHE A 11 4.536 -9.879 -0.031 1.00 0.10 C ATOM 171 CG PHE A 11 3.817 -9.244 -1.202 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.394 -7.904 -1.121 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.577 -9.986 -2.377 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.732 -7.306 -2.210 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.914 -9.388 -3.465 1.00 0.18 C ATOM 176 CZ PHE A 11 2.491 -8.048 -3.381 1.00 0.21 C ATOM 0 H PHE A 11 5.238 -10.903 2.147 1.00 0.12 H new ATOM 0 HA PHE A 11 3.175 -9.080 1.437 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.375 -9.255 0.276 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.947 -10.845 -0.323 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.578 -7.334 -0.222 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.902 -11.014 -2.442 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.409 -6.277 -2.147 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.730 -9.957 -4.364 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.981 -7.589 -4.215 1.00 0.21 H new ATOM 186 N GLN A 12 2.689 -12.089 0.135 1.00 0.15 N ATOM 187 CA GLN A 12 1.600 -12.991 -0.336 1.00 0.19 C ATOM 188 C GLN A 12 0.615 -13.248 0.803 1.00 0.17 C ATOM 189 O GLN A 12 -0.585 -13.207 0.618 1.00 0.16 O ATOM 190 CB GLN A 12 2.202 -14.323 -0.793 1.00 0.24 C ATOM 191 CG GLN A 12 3.035 -14.108 -2.059 1.00 1.21 C ATOM 192 CD GLN A 12 2.109 -13.773 -3.231 1.00 1.77 C ATOM 193 OE1 GLN A 12 0.921 -14.016 -3.170 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.608 -13.221 -4.303 1.00 2.47 N ATOM 0 H GLN A 12 3.636 -12.440 -0.010 1.00 0.15 H new ATOM 0 HA GLN A 12 1.078 -12.519 -1.168 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.826 -14.741 -0.003 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.408 -15.044 -0.987 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.749 -13.299 -1.904 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.613 -15.005 -2.283 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.606 -13.017 -4.354 1.00 2.47 H new ATOM 0 HE22 GLN A 12 2.000 -12.994 -5.090 1.00 2.47 H new ATOM 203 N GLU A 13 1.108 -13.518 1.978 1.00 0.19 N ATOM 204 CA GLU A 13 0.197 -13.781 3.121 1.00 0.20 C ATOM 205 C GLU A 13 -0.730 -12.579 3.331 1.00 0.18 C ATOM 206 O GLU A 13 -1.890 -12.733 3.661 1.00 0.19 O ATOM 207 CB GLU A 13 1.031 -14.029 4.382 1.00 0.25 C ATOM 208 CG GLU A 13 1.591 -15.455 4.361 1.00 0.30 C ATOM 209 CD GLU A 13 2.598 -15.627 5.500 1.00 1.29 C ATOM 210 OE1 GLU A 13 3.034 -14.622 6.036 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.916 -16.762 5.816 1.00 2.03 O ATOM 0 H GLU A 13 2.103 -13.568 2.195 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.411 -14.661 2.911 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.847 -13.309 4.437 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.416 -13.883 5.270 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.781 -16.176 4.466 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.072 -15.654 3.403 1.00 0.30 H new ATOM 218 N ALA A 14 -0.238 -11.385 3.141 1.00 0.18 N ATOM 219 CA ALA A 14 -1.109 -10.192 3.331 1.00 0.18 C ATOM 220 C ALA A 14 -2.277 -10.258 2.338 1.00 0.18 C ATOM 221 O ALA A 14 -3.419 -10.035 2.687 1.00 0.19 O ATOM 222 CB ALA A 14 -0.292 -8.922 3.085 1.00 0.20 C ATOM 0 H ALA A 14 0.723 -11.185 2.864 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.498 -10.177 4.349 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.928 -8.048 3.224 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.539 -8.882 3.789 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.096 -8.931 2.066 1.00 0.20 H new ATOM 228 N LEU A 15 -1.991 -10.570 1.102 1.00 0.17 N ATOM 229 CA LEU A 15 -3.069 -10.664 0.071 1.00 0.18 C ATOM 230 C LEU A 15 -4.018 -11.813 0.419 1.00 0.18 C ATOM 231 O LEU A 15 -5.223 -11.685 0.330 1.00 0.18 O ATOM 232 CB LEU A 15 -2.435 -10.915 -1.304 1.00 0.19 C ATOM 233 CG LEU A 15 -1.184 -10.045 -1.469 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.633 -10.215 -2.885 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.542 -8.574 -1.235 1.00 0.62 C ATOM 0 H LEU A 15 -1.051 -10.765 0.759 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.632 -9.731 0.048 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.172 -11.968 -1.406 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.153 -10.688 -2.092 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.432 -10.352 -0.743 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.257 -9.597 -3.006 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.374 -11.261 -3.052 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.388 -9.908 -3.609 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.650 -7.959 -1.353 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.295 -8.263 -1.959 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.936 -8.451 -0.226 1.00 0.62 H new ATOM 247 N ASP A 16 -3.488 -12.938 0.807 1.00 0.19 N ATOM 248 CA ASP A 16 -4.365 -14.091 1.153 1.00 0.21 C ATOM 249 C ASP A 16 -5.223 -13.737 2.370 1.00 0.20 C ATOM 250 O ASP A 16 -6.394 -14.056 2.429 1.00 0.20 O ATOM 251 CB ASP A 16 -3.502 -15.313 1.475 1.00 0.24 C ATOM 252 CG ASP A 16 -4.396 -16.544 1.622 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.605 -16.378 1.635 1.00 1.09 O ATOM 254 OD2 ASP A 16 -3.858 -17.634 1.719 1.00 1.07 O ATOM 0 H ASP A 16 -2.487 -13.110 0.900 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.013 -14.317 0.307 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.771 -15.474 0.683 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.943 -15.144 2.395 1.00 0.24 H new ATOM 259 N ALA A 17 -4.650 -13.084 3.344 1.00 0.22 N ATOM 260 CA ALA A 17 -5.435 -12.716 4.557 1.00 0.24 C ATOM 261 C ALA A 17 -6.291 -11.479 4.268 1.00 0.21 C ATOM 262 O ALA A 17 -7.186 -11.146 5.020 1.00 0.22 O ATOM 263 CB ALA A 17 -4.473 -12.411 5.708 1.00 0.30 C ATOM 0 H ALA A 17 -3.673 -12.790 3.353 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.086 -13.546 4.830 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.043 -12.141 6.597 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.867 -13.292 5.919 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.823 -11.582 5.429 1.00 0.30 H new ATOM 269 N ALA A 18 -6.026 -10.795 3.188 1.00 0.21 N ATOM 270 CA ALA A 18 -6.832 -9.582 2.864 1.00 0.22 C ATOM 271 C ALA A 18 -8.254 -9.996 2.478 1.00 0.21 C ATOM 272 O ALA A 18 -9.134 -9.169 2.336 1.00 0.24 O ATOM 273 CB ALA A 18 -6.183 -8.832 1.699 1.00 0.23 C ATOM 0 H ALA A 18 -5.290 -11.022 2.519 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.871 -8.931 3.738 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.773 -7.946 1.463 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.173 -8.532 1.977 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.141 -9.483 0.826 1.00 0.23 H new ATOM 279 N GLY A 19 -8.490 -11.268 2.312 1.00 0.22 N ATOM 280 CA GLY A 19 -9.857 -11.730 1.938 1.00 0.24 C ATOM 281 C GLY A 19 -10.142 -11.366 0.479 1.00 0.20 C ATOM 282 O GLY A 19 -9.553 -11.915 -0.431 1.00 0.28 O ATOM 0 H GLY A 19 -7.796 -12.008 2.419 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.938 -12.808 2.077 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.599 -11.268 2.590 1.00 0.24 H new ATOM 286 N ASP A 20 -11.043 -10.444 0.250 1.00 0.13 N ATOM 287 CA ASP A 20 -11.376 -10.035 -1.151 1.00 0.18 C ATOM 288 C ASP A 20 -11.535 -8.514 -1.214 1.00 0.15 C ATOM 289 O ASP A 20 -11.833 -7.957 -2.251 1.00 0.22 O ATOM 290 CB ASP A 20 -12.686 -10.705 -1.578 1.00 0.26 C ATOM 291 CG ASP A 20 -13.114 -10.177 -2.950 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.336 -10.307 -3.882 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.211 -9.652 -3.045 1.00 2.21 O ATOM 0 H ASP A 20 -11.565 -9.954 0.976 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.574 -10.343 -1.822 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.556 -11.786 -1.619 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.465 -10.505 -0.842 1.00 0.26 H new ATOM 298 N LYS A 21 -11.333 -7.834 -0.118 1.00 0.12 N ATOM 299 CA LYS A 21 -11.467 -6.353 -0.133 1.00 0.19 C ATOM 300 C LYS A 21 -10.326 -5.763 -0.956 1.00 0.15 C ATOM 301 O LYS A 21 -9.387 -6.447 -1.311 1.00 0.15 O ATOM 302 CB LYS A 21 -11.400 -5.823 1.301 1.00 0.27 C ATOM 303 CG LYS A 21 -12.741 -6.067 1.999 1.00 0.29 C ATOM 304 CD LYS A 21 -12.578 -5.876 3.510 1.00 0.30 C ATOM 305 CE LYS A 21 -13.953 -5.678 4.152 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.817 -5.676 5.636 1.00 1.90 N ATOM 0 H LYS A 21 -11.082 -8.240 0.783 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.422 -6.068 -0.575 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.598 -6.320 1.847 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.169 -4.758 1.296 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.493 -5.378 1.614 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.095 -7.076 1.786 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.083 -6.744 3.946 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.943 -5.013 3.712 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.390 -4.738 3.816 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.629 -6.474 3.840 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.752 -5.541 6.070 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.417 -6.584 5.949 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.186 -4.902 5.926 1.00 1.90 H new ATOM 320 N LEU A 22 -10.399 -4.502 -1.270 1.00 0.13 N ATOM 321 CA LEU A 22 -9.319 -3.887 -2.075 1.00 0.11 C ATOM 322 C LEU A 22 -8.012 -3.954 -1.273 1.00 0.10 C ATOM 323 O LEU A 22 -8.024 -4.162 -0.076 1.00 0.11 O ATOM 324 CB LEU A 22 -9.699 -2.420 -2.380 1.00 0.12 C ATOM 325 CG LEU A 22 -9.494 -2.072 -3.864 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.756 -0.573 -4.053 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.060 -2.397 -4.305 1.00 0.11 C ATOM 0 H LEU A 22 -11.158 -3.875 -1.004 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.185 -4.418 -3.017 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.741 -2.251 -2.108 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.096 -1.753 -1.764 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.182 -2.661 -4.470 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.615 -0.308 -5.101 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.779 -0.342 -3.755 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.061 -0.002 -3.438 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.937 -2.143 -5.358 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.356 -1.818 -3.707 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.868 -3.461 -4.163 1.00 0.11 H new ATOM 339 N VAL A 23 -6.886 -3.780 -1.916 1.00 0.08 N ATOM 340 CA VAL A 23 -5.586 -3.833 -1.180 1.00 0.09 C ATOM 341 C VAL A 23 -4.604 -2.835 -1.795 1.00 0.08 C ATOM 342 O VAL A 23 -4.046 -3.071 -2.847 1.00 0.09 O ATOM 343 CB VAL A 23 -4.997 -5.243 -1.277 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.815 -5.371 -0.316 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.065 -6.272 -0.905 1.00 0.10 C ATOM 0 H VAL A 23 -6.810 -3.604 -2.918 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.758 -3.579 -0.134 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.659 -5.422 -2.298 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.396 -6.375 -0.386 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.051 -4.640 -0.580 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.154 -5.189 0.704 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.644 -7.275 -0.975 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.405 -6.091 0.115 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.909 -6.184 -1.590 1.00 0.10 H new ATOM 355 N VAL A 24 -4.381 -1.723 -1.136 1.00 0.08 N ATOM 356 CA VAL A 24 -3.424 -0.703 -1.667 1.00 0.08 C ATOM 357 C VAL A 24 -2.111 -0.809 -0.892 1.00 0.08 C ATOM 358 O VAL A 24 -2.092 -0.803 0.324 1.00 0.08 O ATOM 359 CB VAL A 24 -4.016 0.699 -1.500 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.268 1.685 -2.401 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.494 0.675 -1.888 1.00 0.09 C ATOM 0 H VAL A 24 -4.823 -1.478 -0.250 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.242 -0.883 -2.727 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.916 1.013 -0.461 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.692 2.682 -2.280 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.214 1.703 -2.125 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.365 1.373 -3.441 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.917 1.672 -1.770 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.592 0.360 -2.927 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.028 -0.024 -1.245 1.00 0.09 H new ATOM 371 N VAL A 25 -1.015 -0.923 -1.593 1.00 0.09 N ATOM 372 CA VAL A 25 0.317 -1.051 -0.925 1.00 0.09 C ATOM 373 C VAL A 25 1.103 0.244 -1.100 1.00 0.10 C ATOM 374 O VAL A 25 1.126 0.827 -2.164 1.00 0.17 O ATOM 375 CB VAL A 25 1.091 -2.195 -1.585 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.270 -2.613 -0.701 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.151 -3.383 -1.795 1.00 0.09 C ATOM 0 H VAL A 25 -0.984 -0.933 -2.612 1.00 0.09 H new ATOM 0 HA VAL A 25 0.177 -1.252 0.137 1.00 0.09 H new ATOM 0 HB VAL A 25 1.478 -1.861 -2.547 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.813 -3.427 -1.180 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.939 -1.764 -0.561 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.898 -2.946 0.268 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.697 -4.201 -2.265 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.239 -3.713 -0.832 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.677 -3.083 -2.438 1.00 0.09 H new ATOM 387 N ASP A 26 1.757 0.687 -0.062 1.00 0.08 N ATOM 388 CA ASP A 26 2.564 1.940 -0.146 1.00 0.08 C ATOM 389 C ASP A 26 4.051 1.580 -0.154 1.00 0.08 C ATOM 390 O ASP A 26 4.642 1.322 0.875 1.00 0.09 O ATOM 391 CB ASP A 26 2.256 2.821 1.068 1.00 0.09 C ATOM 392 CG ASP A 26 3.187 4.035 1.076 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.407 4.595 0.014 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.664 4.385 2.142 1.00 0.96 O ATOM 0 H ASP A 26 1.768 0.231 0.850 1.00 0.08 H new ATOM 0 HA ASP A 26 2.315 2.480 -1.059 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.217 3.148 1.037 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.383 2.248 1.986 1.00 0.09 H new ATOM 399 N PHE A 27 4.663 1.572 -1.308 1.00 0.08 N ATOM 400 CA PHE A 27 6.115 1.245 -1.378 1.00 0.09 C ATOM 401 C PHE A 27 6.895 2.526 -1.105 1.00 0.11 C ATOM 402 O PHE A 27 7.357 3.191 -2.011 1.00 0.13 O ATOM 403 CB PHE A 27 6.459 0.744 -2.783 1.00 0.10 C ATOM 404 CG PHE A 27 6.017 -0.694 -2.965 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.691 -0.988 -3.337 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.942 -1.739 -2.785 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.293 -2.326 -3.525 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.544 -3.075 -2.975 1.00 0.21 C ATOM 409 CZ PHE A 27 5.220 -3.369 -3.345 1.00 0.23 C ATOM 0 H PHE A 27 4.220 1.778 -2.204 1.00 0.08 H new ATOM 0 HA PHE A 27 6.366 0.474 -0.650 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.974 1.375 -3.528 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.533 0.823 -2.949 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.979 -0.188 -3.478 1.00 0.19 H new ATOM 0 HD2 PHE A 27 7.959 -1.515 -2.500 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.275 -2.552 -3.808 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.256 -3.875 -2.837 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.915 -4.395 -3.491 1.00 0.23 H new ATOM 419 N SER A 28 7.027 2.883 0.143 1.00 0.11 N ATOM 420 CA SER A 28 7.756 4.131 0.512 1.00 0.12 C ATOM 421 C SER A 28 9.089 3.775 1.163 1.00 0.10 C ATOM 422 O SER A 28 9.556 2.656 1.089 1.00 0.11 O ATOM 423 CB SER A 28 6.903 4.919 1.509 1.00 0.17 C ATOM 424 OG SER A 28 5.765 5.446 0.841 1.00 1.03 O ATOM 0 H SER A 28 6.656 2.356 0.934 1.00 0.11 H new ATOM 0 HA SER A 28 7.941 4.728 -0.381 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.590 4.272 2.329 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.489 5.727 1.947 1.00 0.17 H new ATOM 0 HG SER A 28 5.224 5.963 1.474 1.00 1.03 H new ATOM 430 N ALA A 29 9.697 4.728 1.811 1.00 0.10 N ATOM 431 CA ALA A 29 11.003 4.482 2.494 1.00 0.15 C ATOM 432 C ALA A 29 11.002 5.234 3.826 1.00 0.18 C ATOM 433 O ALA A 29 10.843 6.438 3.874 1.00 0.26 O ATOM 434 CB ALA A 29 12.146 4.985 1.605 1.00 0.19 C ATOM 0 H ALA A 29 9.342 5.680 1.899 1.00 0.10 H new ATOM 0 HA ALA A 29 11.143 3.416 2.674 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.099 4.806 2.102 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.128 4.454 0.653 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.025 6.053 1.426 1.00 0.19 H new ATOM 440 N THR A 30 11.151 4.524 4.911 1.00 0.18 N ATOM 441 CA THR A 30 11.132 5.183 6.249 1.00 0.23 C ATOM 442 C THR A 30 12.317 6.143 6.397 1.00 0.26 C ATOM 443 O THR A 30 12.277 7.068 7.185 1.00 0.31 O ATOM 444 CB THR A 30 11.191 4.109 7.342 1.00 0.26 C ATOM 445 OG1 THR A 30 10.903 4.701 8.600 1.00 0.32 O ATOM 446 CG2 THR A 30 12.586 3.475 7.382 1.00 0.28 C ATOM 0 H THR A 30 11.285 3.513 4.929 1.00 0.18 H new ATOM 0 HA THR A 30 10.212 5.759 6.347 1.00 0.23 H new ATOM 0 HB THR A 30 10.455 3.335 7.123 1.00 0.26 H new ATOM 0 HG1 THR A 30 10.939 4.016 9.300 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.617 2.714 8.161 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.805 3.016 6.418 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.329 4.244 7.595 1.00 0.28 H new ATOM 454 N TRP A 31 13.375 5.934 5.660 1.00 0.26 N ATOM 455 CA TRP A 31 14.558 6.841 5.781 1.00 0.32 C ATOM 456 C TRP A 31 14.399 8.034 4.839 1.00 0.32 C ATOM 457 O TRP A 31 15.026 9.059 5.013 1.00 0.36 O ATOM 458 CB TRP A 31 15.837 6.072 5.420 1.00 0.34 C ATOM 459 CG TRP A 31 15.865 5.757 3.957 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.524 4.567 3.409 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.257 6.621 2.852 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.684 4.644 2.036 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.130 5.890 1.642 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.706 7.958 2.782 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.438 6.469 0.401 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.015 8.543 1.540 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.882 7.801 0.350 1.00 0.40 C ATOM 0 H TRP A 31 13.473 5.179 4.982 1.00 0.26 H new ATOM 0 HA TRP A 31 14.626 7.201 6.808 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.712 6.665 5.687 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.889 5.149 5.998 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.183 3.699 3.954 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.495 3.874 1.394 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.813 8.536 3.688 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.334 5.895 -0.508 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.356 9.567 1.499 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.121 8.255 -0.600 1.00 0.40 H new ATOM 478 N CYS A 32 13.575 7.907 3.837 1.00 0.28 N ATOM 479 CA CYS A 32 13.393 9.028 2.871 1.00 0.30 C ATOM 480 C CYS A 32 12.258 9.942 3.349 1.00 0.31 C ATOM 481 O CYS A 32 11.185 9.494 3.700 1.00 0.29 O ATOM 482 CB CYS A 32 13.075 8.434 1.492 1.00 0.28 C ATOM 483 SG CYS A 32 13.699 9.533 0.193 1.00 0.32 S ATOM 0 H CYS A 32 13.018 7.074 3.644 1.00 0.28 H new ATOM 0 HA CYS A 32 14.302 9.626 2.804 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.530 7.448 1.397 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.999 8.301 1.383 1.00 0.28 H new ATOM 488 N GLY A 33 12.511 11.222 3.382 1.00 0.34 N ATOM 489 CA GLY A 33 11.484 12.193 3.856 1.00 0.36 C ATOM 490 C GLY A 33 10.282 12.261 2.900 1.00 0.35 C ATOM 491 O GLY A 33 9.172 11.986 3.306 1.00 0.33 O ATOM 0 H GLY A 33 13.396 11.641 3.097 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.142 11.905 4.850 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.933 13.182 3.947 1.00 0.36 H new ATOM 495 N PRO A 34 10.521 12.655 1.668 1.00 0.37 N ATOM 496 CA PRO A 34 9.439 12.797 0.672 1.00 0.38 C ATOM 497 C PRO A 34 8.490 11.591 0.698 1.00 0.35 C ATOM 498 O PRO A 34 7.303 11.728 0.478 1.00 0.36 O ATOM 499 CB PRO A 34 10.177 12.933 -0.676 1.00 0.42 C ATOM 500 CG PRO A 34 11.647 13.310 -0.341 1.00 0.44 C ATOM 501 CD PRO A 34 11.871 12.980 1.152 1.00 0.40 C ATOM 0 HA PRO A 34 8.798 13.656 0.870 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.135 11.999 -1.237 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.712 13.699 -1.297 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.341 12.750 -0.968 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.827 14.368 -0.533 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.555 12.140 1.274 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.306 13.826 1.684 1.00 0.40 H new ATOM 509 N ALA A 35 8.989 10.419 0.971 1.00 0.33 N ATOM 510 CA ALA A 35 8.088 9.231 1.012 1.00 0.32 C ATOM 511 C ALA A 35 7.324 9.240 2.342 1.00 0.39 C ATOM 512 O ALA A 35 6.110 9.242 2.379 1.00 0.81 O ATOM 513 CB ALA A 35 8.932 7.950 0.887 1.00 0.36 C ATOM 0 H ALA A 35 9.972 10.231 1.166 1.00 0.33 H new ATOM 0 HA ALA A 35 7.376 9.264 0.187 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.278 7.079 0.917 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.476 7.963 -0.057 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.641 7.899 1.713 1.00 0.36 H new ATOM 519 N LYS A 36 8.039 9.255 3.431 1.00 0.30 N ATOM 520 CA LYS A 36 7.389 9.276 4.772 1.00 0.28 C ATOM 521 C LYS A 36 6.508 10.523 4.896 1.00 0.24 C ATOM 522 O LYS A 36 5.641 10.599 5.745 1.00 0.25 O ATOM 523 CB LYS A 36 8.504 9.289 5.835 1.00 0.35 C ATOM 524 CG LYS A 36 7.983 9.799 7.189 1.00 0.38 C ATOM 525 CD LYS A 36 9.033 9.538 8.289 1.00 0.49 C ATOM 526 CE LYS A 36 8.860 8.131 8.871 1.00 1.22 C ATOM 527 NZ LYS A 36 9.884 7.904 9.929 1.00 1.92 N ATOM 0 H LYS A 36 9.059 9.254 3.450 1.00 0.30 H new ATOM 0 HA LYS A 36 6.755 8.400 4.912 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.907 8.283 5.954 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.324 9.923 5.497 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.767 10.865 7.127 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.048 9.298 7.441 1.00 0.38 H new ATOM 0 HD2 LYS A 36 10.036 9.647 7.876 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.932 10.281 9.080 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.859 8.018 9.288 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.963 7.384 8.083 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.768 6.949 10.325 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.835 7.995 9.517 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.765 8.609 10.684 1.00 1.92 H new ATOM 541 N MET A 37 6.734 11.506 4.075 1.00 0.23 N ATOM 542 CA MET A 37 5.924 12.752 4.164 1.00 0.24 C ATOM 543 C MET A 37 4.443 12.450 3.907 1.00 0.20 C ATOM 544 O MET A 37 3.571 13.156 4.373 1.00 0.20 O ATOM 545 CB MET A 37 6.444 13.765 3.126 1.00 0.29 C ATOM 546 CG MET A 37 6.132 15.205 3.564 1.00 1.31 C ATOM 547 SD MET A 37 4.362 15.531 3.374 1.00 2.12 S ATOM 548 CE MET A 37 4.415 17.296 3.770 1.00 3.13 C ATOM 0 H MET A 37 7.446 11.502 3.344 1.00 0.23 H new ATOM 0 HA MET A 37 6.018 13.171 5.166 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.520 13.644 3.000 1.00 0.29 H new ATOM 0 HB3 MET A 37 5.985 13.567 2.157 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.429 15.352 4.602 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.708 15.910 2.965 1.00 1.31 H new ATOM 0 HE1 MET A 37 3.409 17.712 3.713 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.807 17.431 4.778 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.061 17.809 3.058 1.00 3.13 H new ATOM 558 N ILE A 38 4.148 11.425 3.148 1.00 0.18 N ATOM 559 CA ILE A 38 2.719 11.109 2.835 1.00 0.15 C ATOM 560 C ILE A 38 2.154 10.050 3.786 1.00 0.16 C ATOM 561 O ILE A 38 1.088 9.513 3.555 1.00 0.16 O ATOM 562 CB ILE A 38 2.627 10.606 1.389 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.073 11.733 0.445 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.177 10.188 1.051 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.310 11.182 -0.980 1.00 0.28 C ATOM 0 H ILE A 38 4.833 10.794 2.732 1.00 0.18 H new ATOM 0 HA ILE A 38 2.129 12.016 2.961 1.00 0.15 H new ATOM 0 HB ILE A 38 3.273 9.736 1.268 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.314 12.515 0.418 1.00 0.17 H new ATOM 0 HG13 ILE A 38 3.988 12.190 0.822 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.131 9.834 0.021 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.862 9.390 1.723 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.514 11.045 1.170 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.625 11.993 -1.636 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.086 10.417 -0.950 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.386 10.746 -1.360 1.00 0.28 H new ATOM 577 N LYS A 39 2.823 9.733 4.865 1.00 0.19 N ATOM 578 CA LYS A 39 2.237 8.704 5.769 1.00 0.22 C ATOM 579 C LYS A 39 0.981 9.201 6.505 1.00 0.20 C ATOM 580 O LYS A 39 0.129 8.398 6.802 1.00 0.21 O ATOM 581 CB LYS A 39 3.261 8.126 6.780 1.00 0.31 C ATOM 582 CG LYS A 39 3.538 9.079 7.968 1.00 0.34 C ATOM 583 CD LYS A 39 4.029 8.287 9.195 1.00 0.45 C ATOM 584 CE LYS A 39 5.094 7.252 8.808 1.00 1.16 C ATOM 585 NZ LYS A 39 4.439 5.958 8.472 1.00 1.62 N ATOM 0 H LYS A 39 3.719 10.127 5.151 1.00 0.19 H new ATOM 0 HA LYS A 39 1.937 7.892 5.106 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.889 7.175 7.162 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.197 7.917 6.262 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.287 9.818 7.682 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.630 9.627 8.221 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.441 8.976 9.933 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.185 7.783 9.666 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.670 7.611 7.955 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.795 7.113 9.631 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 4.946 5.180 8.941 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.452 5.974 8.798 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.461 5.815 7.442 1.00 1.62 H new ATOM 599 N PRO A 40 0.877 10.472 6.836 1.00 0.20 N ATOM 600 CA PRO A 40 -0.295 10.927 7.595 1.00 0.21 C ATOM 601 C PRO A 40 -1.574 10.743 6.767 1.00 0.17 C ATOM 602 O PRO A 40 -2.670 10.858 7.274 1.00 0.20 O ATOM 603 CB PRO A 40 -0.022 12.412 7.911 1.00 0.24 C ATOM 604 CG PRO A 40 1.393 12.747 7.360 1.00 0.25 C ATOM 605 CD PRO A 40 1.843 11.548 6.501 1.00 0.21 C ATOM 0 HA PRO A 40 -0.447 10.354 8.510 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.776 13.049 7.448 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.069 12.592 8.985 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.368 13.659 6.764 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.093 12.919 8.177 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.817 11.789 5.438 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.865 11.252 6.736 1.00 0.21 H new ATOM 613 N PHE A 41 -1.438 10.459 5.495 1.00 0.14 N ATOM 614 CA PHE A 41 -2.641 10.267 4.624 1.00 0.14 C ATOM 615 C PHE A 41 -2.859 8.778 4.361 1.00 0.11 C ATOM 616 O PHE A 41 -3.804 8.191 4.842 1.00 0.13 O ATOM 617 CB PHE A 41 -2.433 11.006 3.302 1.00 0.15 C ATOM 618 CG PHE A 41 -2.745 12.464 3.528 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.834 13.266 4.235 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.953 13.006 3.056 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.128 14.622 4.469 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.250 14.362 3.289 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.338 15.171 3.996 1.00 0.27 C ATOM 0 H PHE A 41 -0.542 10.351 5.020 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.521 10.668 5.127 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.407 10.885 2.956 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.081 10.593 2.529 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.909 12.843 4.598 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.651 12.384 2.516 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.428 15.242 5.010 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.176 14.782 2.926 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.566 16.211 4.176 1.00 0.27 H new ATOM 633 N PHE A 42 -1.997 8.168 3.597 1.00 0.10 N ATOM 634 CA PHE A 42 -2.156 6.718 3.284 1.00 0.11 C ATOM 635 C PHE A 42 -2.526 5.929 4.551 1.00 0.11 C ATOM 636 O PHE A 42 -3.482 5.179 4.565 1.00 0.12 O ATOM 637 CB PHE A 42 -0.839 6.190 2.707 1.00 0.13 C ATOM 638 CG PHE A 42 -0.933 4.699 2.498 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.685 4.190 1.425 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.265 3.818 3.371 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.772 2.802 1.224 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.352 2.429 3.170 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.106 1.920 2.095 1.00 0.10 C ATOM 0 H PHE A 42 -1.183 8.613 3.173 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.959 6.592 2.557 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.621 6.686 1.761 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.017 6.420 3.384 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.196 4.866 0.755 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.314 4.209 4.195 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.351 2.412 0.400 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.159 1.753 3.840 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.173 0.853 1.939 1.00 0.10 H new ATOM 653 N HIS A 43 -1.783 6.090 5.610 1.00 0.14 N ATOM 654 CA HIS A 43 -2.100 5.346 6.869 1.00 0.16 C ATOM 655 C HIS A 43 -3.400 5.884 7.492 1.00 0.16 C ATOM 656 O HIS A 43 -4.155 5.143 8.089 1.00 0.18 O ATOM 657 CB HIS A 43 -0.913 5.479 7.848 1.00 0.21 C ATOM 658 CG HIS A 43 -1.369 5.364 9.281 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.283 4.182 9.998 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.932 6.284 10.133 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.783 4.418 11.226 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.194 5.682 11.361 1.00 0.39 N ATOM 0 H HIS A 43 -0.970 6.703 5.662 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.253 4.290 6.646 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.175 4.705 7.636 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.420 6.439 7.697 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.139 7.315 9.888 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.844 3.675 12.007 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.610 6.113 12.186 1.00 0.39 H new ATOM 670 N SER A 44 -3.663 7.155 7.374 1.00 0.20 N ATOM 671 CA SER A 44 -4.909 7.706 7.981 1.00 0.25 C ATOM 672 C SER A 44 -6.138 7.035 7.354 1.00 0.20 C ATOM 673 O SER A 44 -7.081 6.694 8.040 1.00 0.21 O ATOM 674 CB SER A 44 -4.968 9.220 7.756 1.00 0.34 C ATOM 675 OG SER A 44 -4.207 9.869 8.766 1.00 0.97 O ATOM 0 H SER A 44 -3.075 7.832 6.888 1.00 0.20 H new ATOM 0 HA SER A 44 -4.904 7.504 9.052 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.575 9.469 6.770 1.00 0.34 H new ATOM 0 HB3 SER A 44 -6.002 9.565 7.784 1.00 0.34 H new ATOM 0 HG SER A 44 -3.418 10.288 8.363 1.00 0.97 H new ATOM 681 N LEU A 45 -6.143 6.847 6.061 1.00 0.18 N ATOM 682 CA LEU A 45 -7.322 6.201 5.411 1.00 0.18 C ATOM 683 C LEU A 45 -7.666 4.908 6.153 1.00 0.16 C ATOM 684 O LEU A 45 -8.742 4.363 6.004 1.00 0.23 O ATOM 685 CB LEU A 45 -7.000 5.873 3.948 1.00 0.19 C ATOM 686 CG LEU A 45 -6.560 7.137 3.196 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.237 6.766 1.744 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.686 8.186 3.226 1.00 0.50 C ATOM 0 H LEU A 45 -5.387 7.111 5.429 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.169 6.886 5.448 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.210 5.123 3.903 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.877 5.442 3.465 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.676 7.557 3.675 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.923 7.658 1.202 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.434 6.030 1.727 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.124 6.346 1.270 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.365 9.079 2.690 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.577 7.777 2.749 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.914 8.445 4.260 1.00 0.50 H new ATOM 700 N SER A 46 -6.762 4.414 6.953 1.00 0.20 N ATOM 701 CA SER A 46 -7.040 3.159 7.704 1.00 0.25 C ATOM 702 C SER A 46 -8.282 3.343 8.579 1.00 0.17 C ATOM 703 O SER A 46 -9.045 2.420 8.789 1.00 0.15 O ATOM 704 CB SER A 46 -5.842 2.820 8.593 1.00 0.36 C ATOM 705 OG SER A 46 -4.676 2.713 7.787 1.00 0.51 O ATOM 0 H SER A 46 -5.843 4.825 7.119 1.00 0.20 H new ATOM 0 HA SER A 46 -7.213 2.349 6.996 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.706 3.593 9.350 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.020 1.884 9.122 1.00 0.36 H new ATOM 0 HG SER A 46 -4.230 3.584 7.740 1.00 0.51 H new ATOM 711 N GLU A 47 -8.486 4.525 9.104 1.00 0.21 N ATOM 712 CA GLU A 47 -9.674 4.765 9.980 1.00 0.21 C ATOM 713 C GLU A 47 -10.835 5.329 9.157 1.00 0.18 C ATOM 714 O GLU A 47 -11.974 5.296 9.577 1.00 0.18 O ATOM 715 CB GLU A 47 -9.297 5.763 11.079 1.00 0.32 C ATOM 716 CG GLU A 47 -7.926 5.397 11.652 1.00 0.39 C ATOM 717 CD GLU A 47 -7.684 6.177 12.946 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.201 7.295 12.860 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.987 5.645 14.001 1.00 2.00 O ATOM 0 H GLU A 47 -7.881 5.334 8.964 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.984 3.820 10.426 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.276 6.775 10.674 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.048 5.751 11.869 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.877 4.326 11.847 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.145 5.625 10.927 1.00 0.39 H new ATOM 726 N LYS A 48 -10.563 5.844 7.988 1.00 0.18 N ATOM 727 CA LYS A 48 -11.663 6.405 7.147 1.00 0.17 C ATOM 728 C LYS A 48 -12.213 5.305 6.239 1.00 0.15 C ATOM 729 O LYS A 48 -13.333 5.372 5.773 1.00 0.18 O ATOM 730 CB LYS A 48 -11.116 7.557 6.294 1.00 0.21 C ATOM 731 CG LYS A 48 -12.279 8.417 5.785 1.00 0.26 C ATOM 732 CD LYS A 48 -11.746 9.576 4.925 1.00 1.09 C ATOM 733 CE LYS A 48 -11.267 10.729 5.818 1.00 1.51 C ATOM 734 NZ LYS A 48 -10.921 11.902 4.966 1.00 2.16 N ATOM 0 H LYS A 48 -9.630 5.901 7.579 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.462 6.780 7.787 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.431 8.166 6.884 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.547 7.162 5.452 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.964 7.805 5.199 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.846 8.811 6.629 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.924 9.226 4.301 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.529 9.929 4.253 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.046 11.000 6.531 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -10.398 10.418 6.398 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -10.596 12.685 5.569 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -10.164 11.638 4.303 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.761 12.202 4.431 1.00 2.16 H new ATOM 748 N TYR A 49 -11.429 4.286 5.991 1.00 0.13 N ATOM 749 CA TYR A 49 -11.886 3.159 5.120 1.00 0.13 C ATOM 750 C TYR A 49 -11.532 1.832 5.792 1.00 0.11 C ATOM 751 O TYR A 49 -10.693 1.089 5.323 1.00 0.11 O ATOM 752 CB TYR A 49 -11.191 3.255 3.755 1.00 0.15 C ATOM 753 CG TYR A 49 -11.890 4.297 2.911 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.165 4.023 2.384 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.278 5.540 2.663 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.828 4.987 1.606 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.940 6.508 1.886 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.217 6.232 1.356 1.00 0.21 C ATOM 759 OH TYR A 49 -13.868 7.179 0.595 1.00 0.24 O ATOM 0 H TYR A 49 -10.483 4.186 6.358 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.965 3.216 4.976 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.142 3.520 3.886 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.215 2.288 3.253 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.635 3.070 2.578 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.300 5.751 3.069 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.806 4.774 1.200 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.470 7.462 1.696 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.308 7.980 0.521 1.00 0.24 H new ATOM 769 N SER A 50 -12.173 1.529 6.887 1.00 0.12 N ATOM 770 CA SER A 50 -11.883 0.250 7.591 1.00 0.13 C ATOM 771 C SER A 50 -12.332 -0.917 6.711 1.00 0.13 C ATOM 772 O SER A 50 -12.163 -2.070 7.053 1.00 0.14 O ATOM 773 CB SER A 50 -12.645 0.216 8.917 1.00 0.16 C ATOM 774 OG SER A 50 -14.029 0.427 8.669 1.00 0.17 O ATOM 0 H SER A 50 -12.886 2.113 7.324 1.00 0.12 H new ATOM 0 HA SER A 50 -10.814 0.170 7.788 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.495 -0.744 9.412 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.263 0.984 9.589 1.00 0.16 H new ATOM 0 HG SER A 50 -14.520 0.404 9.517 1.00 0.17 H new ATOM 780 N ASN A 51 -12.907 -0.619 5.574 1.00 0.13 N ATOM 781 CA ASN A 51 -13.377 -1.698 4.655 1.00 0.15 C ATOM 782 C ASN A 51 -12.296 -1.983 3.612 1.00 0.13 C ATOM 783 O ASN A 51 -12.448 -2.849 2.773 1.00 0.14 O ATOM 784 CB ASN A 51 -14.651 -1.233 3.948 1.00 0.17 C ATOM 785 CG ASN A 51 -15.182 -2.358 3.056 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.057 -3.100 3.453 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.685 -2.516 1.860 1.00 0.32 N ATOM 0 H ASN A 51 -13.072 0.331 5.241 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.581 -2.604 5.226 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.405 -0.951 4.683 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.444 -0.347 3.348 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.032 -3.263 1.258 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -13.950 -1.892 1.527 1.00 0.32 H new ATOM 794 N VAL A 52 -11.207 -1.256 3.660 1.00 0.11 N ATOM 795 CA VAL A 52 -10.099 -1.465 2.674 1.00 0.10 C ATOM 796 C VAL A 52 -8.838 -1.913 3.410 1.00 0.10 C ATOM 797 O VAL A 52 -8.607 -1.554 4.549 1.00 0.11 O ATOM 798 CB VAL A 52 -9.815 -0.150 1.951 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.629 -0.332 0.998 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.058 0.271 1.161 1.00 0.12 C ATOM 0 H VAL A 52 -11.036 -0.520 4.346 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.393 -2.229 1.954 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.570 0.623 2.679 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.428 0.608 0.483 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.748 -0.630 1.566 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.866 -1.104 0.265 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.860 1.209 0.643 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.304 -0.501 0.432 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.896 0.404 1.845 1.00 0.12 H new ATOM 810 N ILE A 53 -8.023 -2.707 2.766 1.00 0.09 N ATOM 811 CA ILE A 53 -6.771 -3.204 3.410 1.00 0.09 C ATOM 812 C ILE A 53 -5.583 -2.353 2.936 1.00 0.09 C ATOM 813 O ILE A 53 -5.338 -2.222 1.753 1.00 0.14 O ATOM 814 CB ILE A 53 -6.540 -4.662 2.990 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.863 -5.454 3.030 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.495 -5.313 3.903 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.638 -5.208 4.337 1.00 0.17 C ATOM 0 H ILE A 53 -8.173 -3.035 1.812 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.862 -3.136 4.494 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.167 -4.675 1.966 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.483 -5.168 2.180 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.652 -6.519 2.927 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.338 -6.347 3.597 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.555 -4.766 3.828 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.847 -5.289 4.934 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.563 -5.784 4.325 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.028 -5.518 5.185 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.872 -4.147 4.427 1.00 0.17 H new ATOM 829 N PHE A 54 -4.841 -1.779 3.854 1.00 0.08 N ATOM 830 CA PHE A 54 -3.658 -0.936 3.476 1.00 0.08 C ATOM 831 C PHE A 54 -2.377 -1.630 3.937 1.00 0.08 C ATOM 832 O PHE A 54 -2.259 -2.040 5.073 1.00 0.11 O ATOM 833 CB PHE A 54 -3.772 0.426 4.164 1.00 0.08 C ATOM 834 CG PHE A 54 -5.047 1.099 3.715 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.151 1.592 2.402 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.133 1.229 4.603 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.336 2.215 1.973 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.321 1.852 4.175 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.422 2.346 2.860 1.00 0.09 C ATOM 0 H PHE A 54 -5.005 -1.858 4.858 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.632 -0.801 2.395 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.773 0.302 5.247 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.911 1.047 3.915 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.318 1.492 1.722 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.054 0.851 5.612 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.413 2.593 0.964 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.154 1.951 4.855 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.332 2.825 2.532 1.00 0.09 H new ATOM 849 N LEU A 55 -1.418 -1.781 3.057 1.00 0.08 N ATOM 850 CA LEU A 55 -0.134 -2.465 3.425 1.00 0.09 C ATOM 851 C LEU A 55 1.009 -1.444 3.407 1.00 0.09 C ATOM 852 O LEU A 55 0.855 -0.324 2.964 1.00 0.10 O ATOM 853 CB LEU A 55 0.170 -3.568 2.394 1.00 0.10 C ATOM 854 CG LEU A 55 -0.630 -4.843 2.702 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.129 -4.520 2.808 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.390 -5.861 1.576 1.00 0.12 C ATOM 0 H LEU A 55 -1.468 -1.458 2.091 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.228 -2.901 4.420 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.075 -3.213 1.393 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.237 -3.793 2.400 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.301 -5.259 3.654 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.683 -5.433 3.026 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.290 -3.797 3.608 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.478 -4.100 1.865 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.953 -6.771 1.783 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.720 -5.438 0.627 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.673 -6.096 1.519 1.00 0.12 H new ATOM 868 N GLU A 56 2.164 -1.842 3.873 1.00 0.09 N ATOM 869 CA GLU A 56 3.348 -0.931 3.883 1.00 0.09 C ATOM 870 C GLU A 56 4.574 -1.756 3.494 1.00 0.09 C ATOM 871 O GLU A 56 4.685 -2.912 3.856 1.00 0.10 O ATOM 872 CB GLU A 56 3.538 -0.342 5.285 1.00 0.09 C ATOM 873 CG GLU A 56 4.508 0.842 5.214 1.00 0.11 C ATOM 874 CD GLU A 56 4.796 1.357 6.627 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.927 0.535 7.520 1.00 1.24 O ATOM 876 OE2 GLU A 56 4.882 2.562 6.790 1.00 1.31 O ATOM 0 H GLU A 56 2.340 -2.772 4.252 1.00 0.09 H new ATOM 0 HA GLU A 56 3.204 -0.109 3.181 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.579 -0.016 5.687 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.926 -1.104 5.962 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.436 0.536 4.732 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.080 1.639 4.606 1.00 0.11 H new ATOM 883 N VAL A 57 5.484 -1.194 2.740 1.00 0.08 N ATOM 884 CA VAL A 57 6.685 -1.976 2.308 1.00 0.08 C ATOM 885 C VAL A 57 7.937 -1.098 2.323 1.00 0.09 C ATOM 886 O VAL A 57 7.939 0.015 1.833 1.00 0.14 O ATOM 887 CB VAL A 57 6.454 -2.486 0.883 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.643 -3.336 0.444 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.178 -3.329 0.835 1.00 0.09 C ATOM 0 H VAL A 57 5.449 -0.231 2.405 1.00 0.08 H new ATOM 0 HA VAL A 57 6.832 -2.808 2.997 1.00 0.08 H new ATOM 0 HB VAL A 57 6.348 -1.634 0.211 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.477 -3.698 -0.571 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.551 -2.733 0.470 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.752 -4.185 1.119 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.018 -3.690 -0.181 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.278 -4.179 1.510 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.328 -2.720 1.142 1.00 0.09 H new ATOM 899 N ASP A 58 9.018 -1.613 2.857 1.00 0.09 N ATOM 900 CA ASP A 58 10.297 -0.842 2.884 1.00 0.09 C ATOM 901 C ASP A 58 11.122 -1.272 1.666 1.00 0.10 C ATOM 902 O ASP A 58 11.571 -2.397 1.576 1.00 0.11 O ATOM 903 CB ASP A 58 11.063 -1.162 4.175 1.00 0.11 C ATOM 904 CG ASP A 58 12.091 -0.064 4.457 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.678 1.053 4.719 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.273 -0.360 4.407 1.00 1.06 O ATOM 0 H ASP A 58 9.068 -2.541 3.278 1.00 0.09 H new ATOM 0 HA ASP A 58 10.104 0.230 2.854 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.367 -1.244 5.010 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.564 -2.126 4.082 1.00 0.11 H new ATOM 911 N VAL A 59 11.291 -0.400 0.716 1.00 0.12 N ATOM 912 CA VAL A 59 12.048 -0.771 -0.514 1.00 0.15 C ATOM 913 C VAL A 59 13.538 -0.964 -0.214 1.00 0.18 C ATOM 914 O VAL A 59 14.275 -1.455 -1.047 1.00 0.27 O ATOM 915 CB VAL A 59 11.881 0.332 -1.562 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.391 0.600 -1.781 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.560 1.615 -1.078 1.00 0.22 C ATOM 0 H VAL A 59 10.938 0.557 0.736 1.00 0.12 H new ATOM 0 HA VAL A 59 11.650 -1.714 -0.890 1.00 0.15 H new ATOM 0 HB VAL A 59 12.340 0.012 -2.497 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.268 1.385 -2.527 1.00 0.19 H new ATOM 0 HG12 VAL A 59 9.905 -0.311 -2.130 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.937 0.917 -0.842 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.438 2.396 -1.828 1.00 0.22 H new ATOM 0 HG22 VAL A 59 12.105 1.937 -0.141 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.622 1.427 -0.919 1.00 0.22 H new ATOM 927 N ASP A 60 13.998 -0.576 0.948 1.00 0.16 N ATOM 928 CA ASP A 60 15.458 -0.727 1.268 1.00 0.18 C ATOM 929 C ASP A 60 15.697 -1.932 2.182 1.00 0.17 C ATOM 930 O ASP A 60 16.675 -2.638 2.040 1.00 0.18 O ATOM 931 CB ASP A 60 15.952 0.537 1.970 1.00 0.21 C ATOM 932 CG ASP A 60 15.731 1.747 1.061 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.593 2.162 0.922 1.00 1.08 O ATOM 934 OD2 ASP A 60 16.706 2.240 0.517 1.00 1.11 O ATOM 0 H ASP A 60 13.432 -0.162 1.689 1.00 0.16 H new ATOM 0 HA ASP A 60 16.002 -0.883 0.336 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.420 0.674 2.911 1.00 0.21 H new ATOM 0 HB3 ASP A 60 17.010 0.440 2.213 1.00 0.21 H new ATOM 939 N ASP A 61 14.828 -2.169 3.127 1.00 0.17 N ATOM 940 CA ASP A 61 15.028 -3.325 4.057 1.00 0.17 C ATOM 941 C ASP A 61 14.299 -4.555 3.509 1.00 0.16 C ATOM 942 O ASP A 61 14.543 -5.669 3.932 1.00 0.18 O ATOM 943 CB ASP A 61 14.480 -2.955 5.439 1.00 0.19 C ATOM 944 CG ASP A 61 14.484 -4.182 6.353 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.654 -5.050 6.150 1.00 1.12 O ATOM 946 OD2 ASP A 61 15.315 -4.226 7.246 1.00 1.07 O ATOM 0 H ASP A 61 13.989 -1.615 3.298 1.00 0.17 H new ATOM 0 HA ASP A 61 16.090 -3.556 4.142 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.086 -2.163 5.879 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.466 -2.566 5.344 1.00 0.19 H new ATOM 951 N ALA A 62 13.419 -4.361 2.556 1.00 0.16 N ATOM 952 CA ALA A 62 12.674 -5.511 1.950 1.00 0.16 C ATOM 953 C ALA A 62 12.864 -5.475 0.429 1.00 0.16 C ATOM 954 O ALA A 62 11.918 -5.548 -0.329 1.00 0.15 O ATOM 955 CB ALA A 62 11.184 -5.391 2.287 1.00 0.17 C ATOM 0 H ALA A 62 13.183 -3.447 2.169 1.00 0.16 H new ATOM 0 HA ALA A 62 13.054 -6.452 2.348 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.643 -6.228 1.846 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.053 -5.404 3.369 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.795 -4.455 1.886 1.00 0.17 H new ATOM 961 N GLN A 63 14.085 -5.349 -0.016 1.00 0.20 N ATOM 962 CA GLN A 63 14.350 -5.292 -1.483 1.00 0.22 C ATOM 963 C GLN A 63 13.757 -6.521 -2.177 1.00 0.20 C ATOM 964 O GLN A 63 13.675 -6.578 -3.388 1.00 0.20 O ATOM 965 CB GLN A 63 15.862 -5.248 -1.727 1.00 0.29 C ATOM 966 CG GLN A 63 16.546 -6.353 -0.920 1.00 0.90 C ATOM 967 CD GLN A 63 18.057 -6.299 -1.161 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.542 -5.425 -1.852 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.825 -7.203 -0.616 1.00 2.22 N ATOM 0 H GLN A 63 14.914 -5.283 0.575 1.00 0.20 H new ATOM 0 HA GLN A 63 13.884 -4.395 -1.892 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.073 -5.376 -2.789 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.259 -4.275 -1.438 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.331 -6.229 0.141 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.155 -7.327 -1.213 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.417 -7.936 -0.036 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.833 -7.176 -0.770 1.00 2.22 H new ATOM 978 N ASP A 64 13.343 -7.507 -1.428 1.00 0.19 N ATOM 979 CA ASP A 64 12.761 -8.721 -2.064 1.00 0.20 C ATOM 980 C ASP A 64 11.394 -8.372 -2.655 1.00 0.17 C ATOM 981 O ASP A 64 11.050 -8.796 -3.741 1.00 0.19 O ATOM 982 CB ASP A 64 12.603 -9.821 -1.008 1.00 0.22 C ATOM 983 CG ASP A 64 12.099 -9.204 0.298 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.880 -8.532 0.953 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.943 -9.414 0.622 1.00 1.11 O ATOM 0 H ASP A 64 13.383 -7.524 -0.409 1.00 0.19 H new ATOM 0 HA ASP A 64 13.420 -9.075 -2.857 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.903 -10.579 -1.359 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.557 -10.321 -0.842 1.00 0.22 H new ATOM 990 N VAL A 65 10.615 -7.599 -1.952 1.00 0.15 N ATOM 991 CA VAL A 65 9.277 -7.218 -2.478 1.00 0.16 C ATOM 992 C VAL A 65 9.460 -6.191 -3.600 1.00 0.16 C ATOM 993 O VAL A 65 8.890 -6.311 -4.666 1.00 0.19 O ATOM 994 CB VAL A 65 8.441 -6.615 -1.344 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.960 -6.608 -1.737 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.628 -7.454 -0.075 1.00 0.18 C ATOM 0 H VAL A 65 10.848 -7.215 -1.036 1.00 0.15 H new ATOM 0 HA VAL A 65 8.763 -8.095 -2.870 1.00 0.16 H new ATOM 0 HB VAL A 65 8.768 -5.592 -1.160 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.371 -6.178 -0.927 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.826 -6.012 -2.639 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.629 -7.629 -1.925 1.00 0.19 H new ATOM 0 HG21 VAL A 65 8.035 -7.028 0.734 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.302 -8.477 -0.264 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.680 -7.455 0.209 1.00 0.18 H new ATOM 1006 N ALA A 66 10.268 -5.190 -3.370 1.00 0.16 N ATOM 1007 CA ALA A 66 10.507 -4.164 -4.425 1.00 0.18 C ATOM 1008 C ALA A 66 11.146 -4.842 -5.637 1.00 0.19 C ATOM 1009 O ALA A 66 10.883 -4.491 -6.769 1.00 0.20 O ATOM 1010 CB ALA A 66 11.451 -3.089 -3.884 1.00 0.22 C ATOM 0 H ALA A 66 10.773 -5.039 -2.497 1.00 0.16 H new ATOM 0 HA ALA A 66 9.563 -3.701 -4.715 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.627 -2.338 -4.654 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.001 -2.615 -3.011 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.399 -3.546 -3.600 1.00 0.22 H new ATOM 1016 N SER A 67 11.980 -5.819 -5.405 1.00 0.21 N ATOM 1017 CA SER A 67 12.630 -6.527 -6.540 1.00 0.26 C ATOM 1018 C SER A 67 11.551 -7.230 -7.365 1.00 0.26 C ATOM 1019 O SER A 67 11.483 -7.088 -8.570 1.00 0.29 O ATOM 1020 CB SER A 67 13.621 -7.559 -6.002 1.00 0.31 C ATOM 1021 OG SER A 67 14.769 -6.886 -5.499 1.00 1.29 O ATOM 0 H SER A 67 12.238 -6.156 -4.478 1.00 0.21 H new ATOM 0 HA SER A 67 13.166 -5.812 -7.164 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.156 -8.150 -5.213 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.908 -8.252 -6.793 1.00 0.31 H new ATOM 0 HG SER A 67 14.530 -6.395 -4.685 1.00 1.29 H new ATOM 1027 N GLU A 68 10.701 -7.982 -6.720 1.00 0.26 N ATOM 1028 CA GLU A 68 9.617 -8.688 -7.459 1.00 0.30 C ATOM 1029 C GLU A 68 8.677 -7.650 -8.079 1.00 0.31 C ATOM 1030 O GLU A 68 8.130 -7.853 -9.145 1.00 0.36 O ATOM 1031 CB GLU A 68 8.837 -9.579 -6.484 1.00 0.31 C ATOM 1032 CG GLU A 68 7.760 -10.372 -7.234 1.00 0.39 C ATOM 1033 CD GLU A 68 8.420 -11.323 -8.233 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.375 -11.981 -7.853 1.00 2.19 O ATOM 1035 OE2 GLU A 68 7.960 -11.379 -9.361 1.00 2.20 O ATOM 0 H GLU A 68 10.711 -8.138 -5.712 1.00 0.26 H new ATOM 0 HA GLU A 68 10.045 -9.307 -8.247 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.519 -10.265 -5.982 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.374 -8.966 -5.711 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.152 -10.937 -6.527 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.090 -9.689 -7.756 1.00 0.39 H new ATOM 1042 N ALA A 69 8.487 -6.539 -7.419 1.00 0.29 N ATOM 1043 CA ALA A 69 7.584 -5.483 -7.967 1.00 0.31 C ATOM 1044 C ALA A 69 8.387 -4.564 -8.891 1.00 0.29 C ATOM 1045 O ALA A 69 7.845 -3.697 -9.545 1.00 0.33 O ATOM 1046 CB ALA A 69 6.998 -4.667 -6.809 1.00 0.31 C ATOM 0 H ALA A 69 8.919 -6.316 -6.522 1.00 0.29 H new ATOM 0 HA ALA A 69 6.773 -5.945 -8.530 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.338 -3.895 -7.205 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.432 -5.325 -6.150 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.807 -4.200 -6.247 1.00 0.31 H new ATOM 1052 N GLU A 70 9.677 -4.758 -8.952 1.00 0.27 N ATOM 1053 CA GLU A 70 10.526 -3.908 -9.838 1.00 0.29 C ATOM 1054 C GLU A 70 10.153 -2.431 -9.670 1.00 0.25 C ATOM 1055 O GLU A 70 9.835 -1.752 -10.625 1.00 0.26 O ATOM 1056 CB GLU A 70 10.309 -4.325 -11.295 1.00 0.38 C ATOM 1057 CG GLU A 70 10.747 -5.780 -11.479 1.00 1.18 C ATOM 1058 CD GLU A 70 10.690 -6.146 -12.963 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.673 -5.915 -13.648 1.00 2.06 O ATOM 1060 OE2 GLU A 70 9.665 -6.653 -13.390 1.00 2.34 O ATOM 0 H GLU A 70 10.182 -5.471 -8.425 1.00 0.27 H new ATOM 0 HA GLU A 70 11.573 -4.042 -9.565 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.259 -4.213 -11.564 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.879 -3.675 -11.959 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.759 -5.917 -11.098 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.098 -6.442 -10.905 1.00 1.18 H new ATOM 1067 N VAL A 71 10.199 -1.925 -8.467 1.00 0.22 N ATOM 1068 CA VAL A 71 9.856 -0.490 -8.250 1.00 0.19 C ATOM 1069 C VAL A 71 11.039 0.381 -8.671 1.00 0.23 C ATOM 1070 O VAL A 71 12.181 0.058 -8.407 1.00 0.28 O ATOM 1071 CB VAL A 71 9.544 -0.248 -6.775 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.151 1.217 -6.580 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.381 -1.147 -6.348 1.00 0.19 C ATOM 0 H VAL A 71 10.459 -2.442 -7.627 1.00 0.22 H new ATOM 0 HA VAL A 71 8.980 -0.234 -8.847 1.00 0.19 H new ATOM 0 HB VAL A 71 10.422 -0.477 -6.171 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.927 1.397 -5.529 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.975 1.859 -6.890 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.270 1.441 -7.182 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.156 -0.976 -5.295 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.502 -0.915 -6.949 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.655 -2.192 -6.495 1.00 0.19 H new ATOM 1083 N LYS A 72 10.774 1.480 -9.334 1.00 0.24 N ATOM 1084 CA LYS A 72 11.875 2.386 -9.792 1.00 0.29 C ATOM 1085 C LYS A 72 11.626 3.802 -9.268 1.00 0.26 C ATOM 1086 O LYS A 72 12.440 4.687 -9.439 1.00 0.27 O ATOM 1087 CB LYS A 72 11.906 2.407 -11.322 1.00 0.35 C ATOM 1088 CG LYS A 72 12.282 1.016 -11.841 1.00 0.43 C ATOM 1089 CD LYS A 72 12.396 1.049 -13.367 1.00 1.16 C ATOM 1090 CE LYS A 72 12.932 -0.292 -13.868 1.00 1.66 C ATOM 1091 NZ LYS A 72 12.940 -0.300 -15.359 1.00 2.40 N ATOM 0 H LYS A 72 9.834 1.791 -9.580 1.00 0.24 H new ATOM 0 HA LYS A 72 12.829 2.023 -9.410 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.932 2.702 -11.713 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.627 3.145 -11.672 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.228 0.697 -11.403 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.529 0.288 -11.538 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.421 1.252 -13.811 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.060 1.856 -13.675 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.940 -0.458 -13.488 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.312 -1.106 -13.493 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.305 -1.213 -15.699 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 11.972 -0.161 -15.712 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.549 0.468 -15.707 1.00 2.40 H new ATOM 1105 N ALA A 73 10.511 4.025 -8.625 1.00 0.22 N ATOM 1106 CA ALA A 73 10.220 5.391 -8.085 1.00 0.20 C ATOM 1107 C ALA A 73 9.297 5.267 -6.870 1.00 0.18 C ATOM 1108 O ALA A 73 8.291 4.595 -6.922 1.00 0.16 O ATOM 1109 CB ALA A 73 9.546 6.244 -9.181 1.00 0.21 C ATOM 0 H ALA A 73 9.790 3.325 -8.449 1.00 0.22 H new ATOM 0 HA ALA A 73 11.148 5.875 -7.781 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.334 7.239 -8.789 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.213 6.327 -10.039 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.615 5.769 -9.490 1.00 0.21 H new ATOM 1115 N THR A 74 9.628 5.923 -5.784 1.00 0.18 N ATOM 1116 CA THR A 74 8.767 5.857 -4.559 1.00 0.17 C ATOM 1117 C THR A 74 8.151 7.248 -4.313 1.00 0.17 C ATOM 1118 O THR A 74 8.763 8.240 -4.654 1.00 0.19 O ATOM 1119 CB THR A 74 9.641 5.481 -3.344 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.849 6.225 -3.400 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.985 3.975 -3.340 1.00 0.19 C ATOM 0 H THR A 74 10.461 6.504 -5.692 1.00 0.18 H new ATOM 0 HA THR A 74 7.982 5.113 -4.696 1.00 0.17 H new ATOM 0 HB THR A 74 9.082 5.709 -2.436 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.411 5.994 -2.631 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.601 3.745 -2.471 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.065 3.392 -3.297 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.532 3.724 -4.249 1.00 0.19 H new ATOM 1129 N PRO A 75 6.980 7.306 -3.703 1.00 0.17 N ATOM 1130 CA PRO A 75 6.193 6.127 -3.267 1.00 0.16 C ATOM 1131 C PRO A 75 5.481 5.499 -4.479 1.00 0.14 C ATOM 1132 O PRO A 75 5.050 6.197 -5.375 1.00 0.14 O ATOM 1133 CB PRO A 75 5.151 6.705 -2.285 1.00 0.17 C ATOM 1134 CG PRO A 75 5.185 8.254 -2.436 1.00 0.20 C ATOM 1135 CD PRO A 75 6.364 8.603 -3.370 1.00 0.19 C ATOM 0 HA PRO A 75 6.811 5.352 -2.814 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.157 6.319 -2.508 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.384 6.413 -1.261 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.246 8.620 -2.851 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.311 8.731 -1.464 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.019 9.118 -4.266 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.077 9.264 -2.877 1.00 0.19 H new ATOM 1143 N THR A 76 5.337 4.194 -4.500 1.00 0.13 N ATOM 1144 CA THR A 76 4.633 3.524 -5.643 1.00 0.12 C ATOM 1145 C THR A 76 3.364 2.868 -5.106 1.00 0.12 C ATOM 1146 O THR A 76 3.424 1.909 -4.365 1.00 0.18 O ATOM 1147 CB THR A 76 5.533 2.438 -6.259 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.873 2.896 -6.267 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.092 2.145 -7.699 1.00 0.13 C ATOM 0 H THR A 76 5.677 3.563 -3.774 1.00 0.13 H new ATOM 0 HA THR A 76 4.394 4.263 -6.408 1.00 0.12 H new ATOM 0 HB THR A 76 5.452 1.526 -5.667 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.920 3.763 -6.721 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.734 1.375 -8.127 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.059 1.797 -7.699 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.169 3.054 -8.295 1.00 0.13 H new ATOM 1157 N PHE A 77 2.214 3.362 -5.470 1.00 0.09 N ATOM 1158 CA PHE A 77 0.960 2.736 -4.966 1.00 0.09 C ATOM 1159 C PHE A 77 0.561 1.607 -5.902 1.00 0.09 C ATOM 1160 O PHE A 77 0.341 1.807 -7.080 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.162 3.768 -4.898 1.00 0.10 C ATOM 1162 CG PHE A 77 0.149 4.748 -3.800 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.095 4.392 -2.462 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.686 6.011 -4.109 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.196 5.302 -1.429 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.978 6.923 -3.079 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.733 6.570 -1.737 1.00 0.12 C ATOM 0 H PHE A 77 2.088 4.164 -6.088 1.00 0.09 H new ATOM 0 HA PHE A 77 1.132 2.346 -3.963 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.256 4.287 -5.852 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.116 3.277 -4.707 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.505 3.421 -2.227 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.874 6.280 -5.138 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.008 5.030 -0.401 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.390 7.893 -3.316 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.956 7.269 -0.945 1.00 0.12 H new ATOM 1177 N GLN A 78 0.475 0.420 -5.375 1.00 0.07 N ATOM 1178 CA GLN A 78 0.099 -0.763 -6.198 1.00 0.07 C ATOM 1179 C GLN A 78 -1.190 -1.340 -5.626 1.00 0.06 C ATOM 1180 O GLN A 78 -1.360 -1.430 -4.427 1.00 0.07 O ATOM 1181 CB GLN A 78 1.229 -1.790 -6.115 1.00 0.08 C ATOM 1182 CG GLN A 78 2.566 -1.084 -6.348 1.00 0.12 C ATOM 1183 CD GLN A 78 3.664 -2.124 -6.571 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.427 -3.160 -7.159 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.866 -1.889 -6.122 1.00 1.03 N ATOM 0 H GLN A 78 0.652 0.215 -4.392 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.056 -0.491 -7.242 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.225 -2.275 -5.139 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.082 -2.572 -6.860 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.495 -0.425 -7.213 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.813 -0.458 -5.490 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.065 -1.019 -5.628 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.607 -2.575 -6.265 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.115 -1.699 -6.477 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.422 -2.235 -5.998 1.00 0.07 C ATOM 1196 C PHE A 79 -3.509 -3.728 -6.286 1.00 0.07 C ATOM 1197 O PHE A 79 -3.312 -4.174 -7.399 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.554 -1.502 -6.726 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.556 -0.054 -6.290 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.512 0.795 -6.690 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.584 0.439 -5.471 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.493 2.140 -6.277 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.569 1.781 -5.048 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.524 2.632 -5.451 1.00 0.11 C ATOM 0 H PHE A 79 -2.020 -1.643 -7.491 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.510 -2.079 -4.923 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.416 -1.571 -7.805 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.513 -1.967 -6.497 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.720 0.414 -7.318 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.388 -0.213 -5.165 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.692 2.793 -6.591 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.359 2.157 -4.415 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.512 3.662 -5.128 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.815 -4.500 -5.276 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.937 -5.976 -5.442 1.00 0.08 C ATOM 1216 C PHE A 80 -5.332 -6.394 -4.994 1.00 0.11 C ATOM 1217 O PHE A 80 -5.982 -5.708 -4.229 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.889 -6.681 -4.571 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.529 -6.582 -5.223 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.113 -7.567 -6.138 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.677 -5.507 -4.911 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.157 -7.478 -6.741 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.592 -5.417 -5.513 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.009 -6.401 -6.428 1.00 0.14 C ATOM 0 H PHE A 80 -3.988 -4.163 -4.329 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.776 -6.251 -6.484 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.861 -6.227 -3.581 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.161 -7.728 -4.434 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.768 -8.392 -6.378 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.997 -4.751 -4.209 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.477 -8.234 -7.442 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.246 -4.592 -5.272 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.982 -6.331 -6.890 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.802 -7.511 -5.466 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.157 -7.971 -5.071 1.00 0.14 C ATOM 1236 C LYS A 81 -7.178 -9.487 -5.231 1.00 0.14 C ATOM 1237 O LYS A 81 -6.920 -9.998 -6.298 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.196 -7.307 -5.993 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.583 -7.285 -5.329 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.496 -6.299 -6.077 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.758 -6.029 -5.254 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.379 -5.565 -3.892 1.00 1.48 N ATOM 0 H LYS A 81 -5.305 -8.126 -6.110 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.395 -7.702 -4.042 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.884 -6.289 -6.226 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.249 -7.848 -6.938 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -10.020 -8.283 -5.343 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.492 -6.991 -4.283 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.964 -5.365 -6.260 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.767 -6.708 -7.050 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.371 -5.275 -5.748 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.360 -6.935 -5.186 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -12.010 -4.792 -3.601 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.465 -6.354 -3.220 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -10.396 -5.225 -3.902 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.438 -10.207 -4.178 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.428 -11.693 -4.277 1.00 0.20 C ATOM 1258 C LYS A 82 -6.066 -12.151 -4.805 1.00 0.20 C ATOM 1259 O LYS A 82 -5.966 -13.118 -5.533 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.528 -12.169 -5.236 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.898 -12.065 -4.556 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.981 -12.692 -5.452 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.377 -11.717 -6.567 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.495 -12.302 -7.361 1.00 1.67 N ATOM 0 H LYS A 82 -7.657 -9.833 -3.255 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.610 -12.118 -3.290 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.517 -11.566 -6.144 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.339 -13.200 -5.536 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.874 -12.573 -3.592 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.137 -11.020 -4.360 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.611 -13.621 -5.886 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.856 -12.946 -4.854 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -11.681 -10.762 -6.139 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.522 -11.519 -7.213 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.765 -11.642 -8.118 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.189 -13.203 -7.780 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.312 -12.469 -6.739 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.016 -11.469 -4.438 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.662 -11.872 -4.914 1.00 0.21 C ATOM 1280 C GLY A 83 -3.479 -11.476 -6.382 1.00 0.19 C ATOM 1281 O GLY A 83 -2.492 -11.820 -7.000 1.00 0.22 O ATOM 0 H GLY A 83 -5.037 -10.651 -3.830 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.896 -11.394 -4.303 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.534 -12.949 -4.801 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.424 -10.761 -6.948 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.307 -10.348 -8.388 1.00 0.17 C ATOM 1287 C GLN A 84 -4.107 -8.829 -8.490 1.00 0.16 C ATOM 1288 O GLN A 84 -4.661 -8.064 -7.731 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.595 -10.735 -9.131 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.597 -12.241 -9.418 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.662 -12.532 -10.593 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.609 -13.640 -11.086 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.918 -11.567 -11.061 1.00 2.08 N ATOM 0 H GLN A 84 -5.272 -10.445 -6.477 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.450 -10.853 -8.833 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.465 -10.469 -8.531 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.668 -10.178 -10.065 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.273 -12.792 -8.535 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.607 -12.577 -9.650 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.966 -10.638 -10.643 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.289 -11.742 -11.844 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.319 -8.391 -9.442 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.080 -6.925 -9.614 1.00 0.17 C ATOM 1304 C LYS A 85 -4.191 -6.329 -10.480 1.00 0.16 C ATOM 1305 O LYS A 85 -4.691 -6.968 -11.383 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.726 -6.699 -10.295 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.543 -5.203 -10.594 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.059 -4.890 -10.823 1.00 0.30 C ATOM 1309 CE LYS A 85 0.479 -5.723 -11.992 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.718 -5.086 -12.519 1.00 1.70 N ATOM 0 H LYS A 85 -2.830 -8.988 -10.109 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.077 -6.441 -8.637 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.920 -7.053 -9.652 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.672 -7.274 -11.219 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.121 -4.927 -11.476 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.924 -4.609 -9.764 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.069 -3.828 -11.033 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.510 -5.107 -9.919 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.691 -6.740 -11.662 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.271 -5.793 -12.780 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.755 -5.201 -13.552 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.715 -4.073 -12.283 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.550 -5.539 -12.090 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.588 -5.108 -10.202 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.678 -4.458 -10.999 1.00 0.16 C ATOM 1326 C VAL A 86 -5.240 -3.062 -11.464 1.00 0.18 C ATOM 1327 O VAL A 86 -5.694 -2.574 -12.479 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.931 -4.334 -10.127 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.538 -5.721 -9.905 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.555 -3.722 -8.774 1.00 0.17 C ATOM 0 H VAL A 86 -4.202 -4.532 -9.454 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.892 -5.069 -11.876 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.658 -3.694 -10.627 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.430 -5.633 -9.284 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.807 -6.159 -10.866 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.810 -6.361 -9.406 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.447 -3.634 -8.154 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.828 -4.362 -8.275 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.122 -2.734 -8.929 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.369 -2.410 -10.737 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.928 -1.047 -11.163 1.00 0.18 C ATOM 1342 C GLY A 87 -2.734 -0.587 -10.320 1.00 0.10 C ATOM 1343 O GLY A 87 -2.300 -1.274 -9.416 1.00 0.08 O ATOM 0 H GLY A 87 -3.948 -2.758 -9.876 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.654 -1.059 -12.218 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.751 -0.341 -11.056 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.199 0.572 -10.611 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.033 1.077 -9.827 1.00 0.10 C ATOM 1349 C GLU A 88 -0.687 2.503 -10.261 1.00 0.10 C ATOM 1350 O GLU A 88 -0.967 2.910 -11.372 1.00 0.11 O ATOM 1351 CB GLU A 88 0.175 0.170 -10.073 1.00 0.17 C ATOM 1352 CG GLU A 88 0.341 -0.067 -11.576 1.00 0.25 C ATOM 1353 CD GLU A 88 1.685 -0.751 -11.840 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.728 -1.969 -11.789 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.648 -0.044 -12.088 1.00 2.04 O ATOM 0 H GLU A 88 -2.520 1.189 -11.357 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.289 1.076 -8.768 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.076 0.628 -9.665 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.040 -0.781 -9.557 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.474 -0.687 -11.949 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.292 0.881 -12.112 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.058 3.259 -9.398 1.00 0.09 N ATOM 1363 CA PHE A 89 0.329 4.649 -9.770 1.00 0.09 C ATOM 1364 C PHE A 89 1.285 5.230 -8.721 1.00 0.09 C ATOM 1365 O PHE A 89 1.035 5.177 -7.537 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.920 5.541 -9.933 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.484 5.977 -8.591 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.824 6.964 -7.827 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.685 5.414 -8.115 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.360 7.376 -6.595 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.220 5.829 -6.882 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.558 6.811 -6.121 1.00 0.11 C ATOM 0 H PHE A 89 0.203 2.973 -8.454 1.00 0.09 H new ATOM 0 HA PHE A 89 0.845 4.621 -10.730 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.663 6.421 -10.522 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.684 4.998 -10.489 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.094 7.403 -8.190 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.196 4.662 -8.698 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.851 8.128 -6.011 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.139 5.394 -6.519 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.969 7.130 -5.175 1.00 0.11 H new ATOM 1382 N SER A 90 2.386 5.788 -9.159 1.00 0.13 N ATOM 1383 CA SER A 90 3.374 6.388 -8.206 1.00 0.14 C ATOM 1384 C SER A 90 3.207 7.906 -8.206 1.00 0.14 C ATOM 1385 O SER A 90 2.195 8.429 -8.628 1.00 0.17 O ATOM 1386 CB SER A 90 4.791 6.039 -8.662 1.00 0.15 C ATOM 1387 OG SER A 90 5.183 6.931 -9.698 1.00 0.16 O ATOM 0 H SER A 90 2.646 5.855 -10.143 1.00 0.13 H new ATOM 0 HA SER A 90 3.204 5.996 -7.203 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.483 6.110 -7.823 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.828 5.010 -9.019 1.00 0.15 H new ATOM 0 HG SER A 90 6.080 7.277 -9.510 1.00 0.16 H new ATOM 1393 N GLY A 91 4.192 8.616 -7.734 1.00 0.12 N ATOM 1394 CA GLY A 91 4.094 10.105 -7.703 1.00 0.13 C ATOM 1395 C GLY A 91 3.269 10.526 -6.489 1.00 0.13 C ATOM 1396 O GLY A 91 2.188 10.022 -6.257 1.00 0.13 O ATOM 0 H GLY A 91 5.063 8.231 -7.367 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.089 10.546 -7.653 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.629 10.470 -8.619 1.00 0.13 H new ATOM 1400 N ALA A 92 3.772 11.436 -5.703 1.00 0.15 N ATOM 1401 CA ALA A 92 3.012 11.869 -4.497 1.00 0.17 C ATOM 1402 C ALA A 92 1.620 12.363 -4.900 1.00 0.15 C ATOM 1403 O ALA A 92 1.445 13.492 -5.312 1.00 0.16 O ATOM 1404 CB ALA A 92 3.771 13.001 -3.789 1.00 0.20 C ATOM 0 H ALA A 92 4.671 11.897 -5.842 1.00 0.15 H new ATOM 0 HA ALA A 92 2.907 11.020 -3.822 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.214 13.317 -2.907 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.756 12.645 -3.488 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.882 13.845 -4.469 1.00 0.20 H new ATOM 1410 N ASN A 93 0.626 11.527 -4.758 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.768 11.937 -5.102 1.00 0.13 C ATOM 1412 C ASN A 93 -1.719 11.344 -4.056 1.00 0.12 C ATOM 1413 O ASN A 93 -2.476 10.434 -4.327 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.123 11.422 -6.502 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.298 12.225 -7.065 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.359 12.485 -8.251 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.240 12.632 -6.259 1.00 1.15 N ATOM 0 H ASN A 93 0.720 10.571 -4.416 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.857 13.023 -5.102 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.260 11.511 -7.162 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.382 10.364 -6.456 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -4.027 13.168 -6.624 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.189 12.414 -5.264 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.659 11.849 -2.854 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.527 11.327 -1.757 1.00 0.20 C ATOM 1426 C LYS A 94 -4.010 11.522 -2.092 1.00 0.18 C ATOM 1427 O LYS A 94 -4.836 10.695 -1.765 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.185 12.079 -0.463 1.00 0.29 C ATOM 1429 CG LYS A 94 -1.909 13.559 -0.796 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.060 14.443 0.452 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.825 14.311 1.352 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.690 12.912 1.834 1.00 1.19 N ATOM 0 H LYS A 94 -1.038 12.611 -2.581 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.346 10.259 -1.635 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.009 12.001 0.246 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.312 11.632 0.012 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -0.902 13.663 -1.199 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.599 13.896 -1.570 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.192 15.483 0.155 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.954 14.153 1.005 1.00 0.88 H new ATOM 0 HE2 LYS A 94 0.069 14.601 0.800 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.910 14.989 2.201 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 -0.392 12.915 2.830 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.605 12.425 1.748 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.021 12.415 1.261 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.363 12.605 -2.721 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.796 12.829 -3.045 1.00 0.20 C ATOM 1448 C GLU A 95 -6.266 11.766 -4.044 1.00 0.17 C ATOM 1449 O GLU A 95 -7.422 11.399 -4.079 1.00 0.18 O ATOM 1450 CB GLU A 95 -5.962 14.220 -3.663 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.836 15.288 -2.575 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.128 16.664 -3.176 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.770 16.711 -4.212 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.705 17.648 -2.590 1.00 1.86 O ATOM 0 H GLU A 95 -3.725 13.341 -3.023 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.392 12.759 -2.135 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.206 14.379 -4.431 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.933 14.298 -4.151 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.532 15.079 -1.763 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.833 15.271 -2.148 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.373 11.274 -4.857 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.756 10.239 -5.857 1.00 0.14 C ATOM 1463 C LYS A 96 -6.077 8.926 -5.144 1.00 0.12 C ATOM 1464 O LYS A 96 -6.921 8.170 -5.580 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.606 10.034 -6.847 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.906 8.837 -7.759 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.952 8.834 -8.978 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.573 9.602 -10.156 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.677 11.049 -9.817 1.00 2.05 N ATOM 0 H LYS A 96 -4.390 11.546 -4.872 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.640 10.569 -6.402 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.467 10.933 -7.447 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.675 9.865 -6.306 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.794 7.908 -7.199 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.941 8.881 -8.099 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.000 9.288 -8.702 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.740 7.808 -9.278 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.962 9.471 -11.049 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -5.561 9.201 -10.383 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.802 11.602 -10.689 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.493 11.201 -9.191 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -3.808 11.356 -9.334 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.422 8.640 -4.048 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.718 7.368 -3.325 1.00 0.11 C ATOM 1485 C LEU A 97 -7.227 7.256 -3.121 1.00 0.11 C ATOM 1486 O LEU A 97 -7.797 6.184 -3.162 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.027 7.370 -1.950 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.551 6.976 -2.084 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.862 7.208 -0.731 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.434 5.487 -2.501 1.00 0.13 C ATOM 0 H LEU A 97 -4.702 9.226 -3.626 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.350 6.526 -3.911 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.105 8.360 -1.500 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.535 6.675 -1.281 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.070 7.582 -2.852 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.810 6.933 -0.807 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.943 8.260 -0.457 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.343 6.596 0.032 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.382 5.217 -2.594 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.905 4.859 -1.744 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.933 5.337 -3.459 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.874 8.361 -2.895 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.347 8.326 -2.680 1.00 0.14 C ATOM 1504 C GLU A 98 -10.049 7.938 -3.983 1.00 0.13 C ATOM 1505 O GLU A 98 -10.810 6.992 -4.034 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.832 9.707 -2.230 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.264 9.597 -1.703 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.760 10.981 -1.280 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.214 11.520 -0.331 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.678 11.479 -1.911 1.00 2.05 O ATOM 0 H GLU A 98 -7.449 9.287 -2.849 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.581 7.590 -1.911 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.176 10.099 -1.453 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.793 10.408 -3.064 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.916 9.185 -2.474 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.299 8.912 -0.856 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.807 8.672 -5.033 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.465 8.367 -6.334 1.00 0.14 C ATOM 1519 C ALA A 99 -10.105 6.953 -6.804 1.00 0.12 C ATOM 1520 O ALA A 99 -10.934 6.246 -7.334 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.000 9.379 -7.384 1.00 0.15 C ATOM 0 H ALA A 99 -9.178 9.475 -5.046 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.545 8.429 -6.203 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.479 9.160 -8.338 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.271 10.385 -7.065 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.918 9.314 -7.498 1.00 0.15 H new ATOM 1527 N THR A 100 -8.877 6.544 -6.634 1.00 0.11 N ATOM 1528 CA THR A 100 -8.471 5.183 -7.100 1.00 0.11 C ATOM 1529 C THR A 100 -9.186 4.104 -6.282 1.00 0.10 C ATOM 1530 O THR A 100 -9.711 3.151 -6.821 1.00 0.11 O ATOM 1531 CB THR A 100 -6.957 5.024 -6.945 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.312 6.186 -7.444 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.483 3.800 -7.732 1.00 0.12 C ATOM 0 H THR A 100 -8.137 7.091 -6.194 1.00 0.11 H new ATOM 0 HA THR A 100 -8.749 5.070 -8.148 1.00 0.11 H new ATOM 0 HB THR A 100 -6.711 4.890 -5.891 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.413 6.918 -6.800 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.404 3.690 -7.619 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.980 2.908 -7.352 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.726 3.929 -8.787 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.211 4.244 -4.987 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.894 3.226 -4.139 1.00 0.11 C ATOM 1543 C ILE A 101 -11.380 3.182 -4.511 1.00 0.13 C ATOM 1544 O ILE A 101 -11.925 2.135 -4.793 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.729 3.615 -2.659 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.271 3.357 -2.229 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.679 2.783 -1.786 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.954 4.087 -0.913 1.00 0.18 C ATOM 0 H ILE A 101 -8.788 5.020 -4.477 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.455 2.242 -4.302 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.970 4.671 -2.534 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.107 2.286 -2.105 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.591 3.695 -3.011 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.554 3.066 -0.741 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.709 2.967 -2.091 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.449 1.724 -1.905 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.920 3.891 -0.628 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.096 5.159 -1.048 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.621 3.729 -0.129 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.035 4.308 -4.511 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.484 4.330 -4.858 1.00 0.17 C ATOM 1562 C ASN A 102 -13.682 3.806 -6.283 1.00 0.18 C ATOM 1563 O ASN A 102 -14.777 3.460 -6.678 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.006 5.766 -4.766 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.536 5.759 -4.821 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.117 5.564 -5.869 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.216 5.966 -3.726 1.00 1.03 N ATOM 0 H ASN A 102 -11.630 5.216 -4.285 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.032 3.695 -4.162 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.667 6.228 -3.839 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.605 6.363 -5.585 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.236 5.964 -3.751 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.728 6.130 -2.846 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.635 3.751 -7.059 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.771 3.257 -8.459 1.00 0.18 C ATOM 1576 C GLU A 103 -12.892 1.729 -8.466 1.00 0.19 C ATOM 1577 O GLU A 103 -13.870 1.174 -8.923 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.532 3.670 -9.268 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.853 3.629 -10.766 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.769 4.802 -11.125 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.417 5.924 -10.801 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.808 4.557 -11.717 1.00 2.02 O ATOM 0 H GLU A 103 -11.692 4.026 -6.785 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.666 3.691 -8.905 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.217 4.673 -8.982 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.701 3.000 -9.046 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.933 3.682 -11.347 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.337 2.686 -11.019 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.887 1.050 -7.981 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.910 -0.443 -7.974 1.00 0.19 C ATOM 1591 C LEU A 104 -12.498 -0.959 -6.657 1.00 0.19 C ATOM 1592 O LEU A 104 -12.284 -2.093 -6.276 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.475 -0.958 -8.130 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.831 -0.345 -9.381 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.345 -0.714 -9.411 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.523 -0.874 -10.648 1.00 0.35 C ATOM 0 H LEU A 104 -11.045 1.468 -7.586 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.530 -0.800 -8.796 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.890 -0.702 -7.247 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.476 -2.045 -8.207 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.942 0.739 -9.350 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.881 -0.282 -10.297 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.855 -0.325 -8.518 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.240 -1.799 -9.439 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.057 -0.432 -11.529 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.424 -1.959 -10.691 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.580 -0.607 -10.624 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.245 -0.146 -5.959 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.847 -0.611 -4.676 1.00 0.22 C ATOM 1610 C VAL A 105 -14.839 -1.741 -4.961 1.00 0.26 C ATOM 1611 O VAL A 105 -15.318 -1.812 -6.081 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.575 0.550 -3.993 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.654 1.099 -4.926 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.219 0.060 -2.693 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.099 -2.517 -4.058 1.00 1.18 O ATOM 0 H VAL A 105 -13.464 0.815 -6.220 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.058 -0.975 -4.018 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.860 1.340 -3.765 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.171 1.925 -4.438 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.192 1.454 -5.848 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.369 0.310 -5.159 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.737 0.888 -2.209 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.933 -0.733 -2.917 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.447 -0.325 -2.027 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.216 1.252 6.506 1.00 0.00 N ATOM 1627 CA PHE B 1 22.502 2.261 5.674 1.00 0.00 C ATOM 1628 C PHE B 1 21.314 1.587 4.973 1.00 0.00 C ATOM 1629 O PHE B 1 21.216 0.377 4.933 1.00 0.00 O ATOM 1630 CB PHE B 1 23.484 2.853 4.644 1.00 0.00 C ATOM 1631 CG PHE B 1 23.577 1.964 3.417 1.00 0.00 C ATOM 1632 CD1 PHE B 1 24.184 0.697 3.508 1.00 0.00 C ATOM 1633 CD2 PHE B 1 23.044 2.401 2.187 1.00 0.00 C ATOM 1634 CE1 PHE B 1 24.262 -0.129 2.370 1.00 0.00 C ATOM 1635 CE2 PHE B 1 23.120 1.575 1.052 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.730 0.310 1.142 1.00 0.00 C ATOM 0 H1 PHE B 1 23.033 1.440 7.512 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.876 0.299 6.264 1.00 0.00 H new ATOM 0 H3 PHE B 1 24.238 1.312 6.323 1.00 0.00 H new ATOM 0 HA PHE B 1 22.124 3.070 6.300 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.155 3.850 4.352 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.470 2.962 5.096 1.00 0.00 H new ATOM 0 HD1 PHE B 1 24.590 0.359 4.450 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.577 3.372 2.117 1.00 0.00 H new ATOM 0 HE1 PHE B 1 24.730 -1.100 2.439 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.710 1.911 0.111 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.790 -0.324 0.270 1.00 0.00 H new ATOM 1648 N ARG B 2 20.413 2.355 4.418 1.00 0.00 N ATOM 1649 CA ARG B 2 19.241 1.745 3.722 1.00 0.00 C ATOM 1650 C ARG B 2 18.749 2.690 2.619 1.00 0.00 C ATOM 1651 O ARG B 2 17.625 3.157 2.634 1.00 0.00 O ATOM 1652 CB ARG B 2 18.115 1.482 4.745 1.00 0.00 C ATOM 1653 CG ARG B 2 18.331 0.123 5.430 1.00 0.00 C ATOM 1654 CD ARG B 2 17.077 -0.268 6.214 1.00 0.00 C ATOM 1655 NE ARG B 2 16.918 0.633 7.388 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.783 0.667 8.031 1.00 0.00 C ATOM 1657 NH1 ARG B 2 14.793 -0.092 7.646 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.637 1.458 9.057 1.00 0.00 N ATOM 0 H ARG B 2 20.437 3.375 4.416 1.00 0.00 H new ATOM 0 HA ARG B 2 19.535 0.798 3.268 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.099 2.276 5.492 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.147 1.496 4.244 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.557 -0.639 4.684 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.189 0.176 6.101 1.00 0.00 H new ATOM 0 HD2 ARG B 2 16.199 -0.202 5.571 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.152 -1.304 6.546 1.00 0.00 H new ATOM 0 HE ARG B 2 17.694 1.222 7.689 1.00 0.00 H new ATOM 0 HH11 ARG B 2 14.907 -0.711 6.843 1.00 0.00 H new ATOM 0 HH12 ARG B 2 13.905 -0.066 8.148 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.410 2.051 9.358 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.749 1.484 9.559 1.00 0.00 H new ATOM 1672 N PHE B 3 19.590 2.957 1.652 1.00 0.00 N ATOM 1673 CA PHE B 3 19.205 3.851 0.517 1.00 0.00 C ATOM 1674 C PHE B 3 18.909 2.993 -0.719 1.00 0.00 C ATOM 1675 O PHE B 3 19.364 1.871 -0.828 1.00 0.00 O ATOM 1676 CB PHE B 3 20.364 4.809 0.222 1.00 0.00 C ATOM 1677 CG PHE B 3 20.326 5.967 1.199 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.646 5.763 2.557 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.967 7.249 0.749 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.609 6.844 3.458 1.00 0.00 C ATOM 1681 CE2 PHE B 3 19.928 8.328 1.649 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.251 8.127 3.004 1.00 0.00 C ATOM 0 H PHE B 3 20.540 2.589 1.600 1.00 0.00 H new ATOM 0 HA PHE B 3 18.317 4.427 0.776 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.315 4.282 0.303 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.292 5.180 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.919 4.778 2.906 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.720 7.406 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.855 6.689 4.498 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.650 9.312 1.301 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.224 8.957 3.695 1.00 0.00 H new ATOM 1692 N ARG B 4 18.144 3.509 -1.648 1.00 0.00 N ATOM 1693 CA ARG B 4 17.813 2.721 -2.877 1.00 0.00 C ATOM 1694 C ARG B 4 17.734 3.676 -4.084 1.00 0.00 C ATOM 1695 O ARG B 4 18.752 4.093 -4.599 1.00 0.00 O ATOM 1696 CB ARG B 4 16.474 1.978 -2.648 1.00 0.00 C ATOM 1697 CG ARG B 4 16.734 0.501 -2.295 1.00 0.00 C ATOM 1698 CD ARG B 4 17.335 -0.249 -3.502 1.00 0.00 C ATOM 1699 NE ARG B 4 16.780 -1.632 -3.554 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.907 -2.345 -4.642 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.515 -1.841 -5.682 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.429 -3.558 -4.691 1.00 0.00 N ATOM 0 H ARG B 4 17.734 4.442 -1.609 1.00 0.00 H new ATOM 0 HA ARG B 4 18.586 1.980 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.917 2.458 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.857 2.041 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.415 0.439 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.802 0.025 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.104 0.282 -4.425 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.421 -0.284 -3.418 1.00 0.00 H new ATOM 0 HE ARG B 4 16.302 -2.021 -2.741 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.889 -0.893 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.615 -2.395 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.955 -3.952 -3.879 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.530 -4.112 -5.542 1.00 0.00 H new ATOM 1716 N TYR B 5 16.548 4.029 -4.543 1.00 0.00 N ATOM 1717 CA TYR B 5 16.432 4.957 -5.720 1.00 0.00 C ATOM 1718 C TYR B 5 15.809 6.292 -5.292 1.00 0.00 C ATOM 1719 O TYR B 5 15.663 6.581 -4.121 1.00 0.00 O ATOM 1720 CB TYR B 5 15.607 4.301 -6.845 1.00 0.00 C ATOM 1721 CG TYR B 5 14.460 3.500 -6.285 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.679 2.194 -5.811 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.168 4.046 -6.266 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.605 1.439 -5.306 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.093 3.294 -5.768 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.310 1.989 -5.284 1.00 0.00 C ATOM 1727 OH TYR B 5 11.255 1.249 -4.791 1.00 0.00 O ATOM 0 H TYR B 5 15.659 3.714 -4.153 1.00 0.00 H new ATOM 0 HA TYR B 5 17.432 5.157 -6.104 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.223 5.071 -7.514 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.250 3.653 -7.440 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.672 1.771 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.000 5.047 -6.635 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.774 0.439 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.099 3.716 -5.756 1.00 0.00 H new ATOM 0 HH TYR B 5 11.579 0.371 -4.501 1.00 0.00 H new ATOM 1737 N VAL B 6 15.497 7.125 -6.247 1.00 0.00 N ATOM 1738 CA VAL B 6 14.944 8.478 -5.937 1.00 0.00 C ATOM 1739 C VAL B 6 13.542 8.408 -5.326 1.00 0.00 C ATOM 1740 O VAL B 6 12.720 7.592 -5.698 1.00 0.00 O ATOM 1741 CB VAL B 6 14.868 9.293 -7.235 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.744 10.780 -6.902 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.134 9.063 -8.060 1.00 0.00 C ATOM 0 H VAL B 6 15.602 6.925 -7.242 1.00 0.00 H new ATOM 0 HA VAL B 6 15.607 8.946 -5.209 1.00 0.00 H new ATOM 0 HB VAL B 6 13.997 8.975 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.690 11.356 -7.826 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.840 10.948 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.613 11.098 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.078 9.643 -8.981 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.005 9.378 -7.485 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.223 8.004 -8.302 1.00 0.00 H new ATOM 1753 N CYS B 7 13.257 9.313 -4.420 1.00 0.00 N ATOM 1754 CA CYS B 7 11.902 9.379 -3.799 1.00 0.00 C ATOM 1755 C CYS B 7 11.129 10.506 -4.481 1.00 0.00 C ATOM 1756 O CYS B 7 11.235 11.655 -4.102 1.00 0.00 O ATOM 1757 CB CYS B 7 12.018 9.688 -2.302 1.00 0.00 C ATOM 1758 SG CYS B 7 13.229 8.589 -1.531 1.00 0.00 S ATOM 0 H CYS B 7 13.915 10.015 -4.083 1.00 0.00 H new ATOM 0 HA CYS B 7 11.392 8.423 -3.920 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.316 10.727 -2.159 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.047 9.566 -1.822 1.00 0.00 H new ATOM 1763 N GLU B 8 10.367 10.199 -5.494 1.00 0.00 N ATOM 1764 CA GLU B 8 9.616 11.276 -6.199 1.00 0.00 C ATOM 1765 C GLU B 8 8.317 11.578 -5.451 1.00 0.00 C ATOM 1766 O GLU B 8 7.266 11.753 -6.041 1.00 0.00 O ATOM 1767 CB GLU B 8 9.304 10.844 -7.634 1.00 0.00 C ATOM 1768 CG GLU B 8 8.850 9.381 -7.646 1.00 0.00 C ATOM 1769 CD GLU B 8 8.197 9.061 -8.993 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.805 9.355 -10.009 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.099 8.528 -8.985 1.00 0.00 O ATOM 0 H GLU B 8 10.232 9.257 -5.862 1.00 0.00 H new ATOM 0 HA GLU B 8 10.229 12.177 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.525 11.480 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.187 10.966 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.703 8.723 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.144 9.201 -6.835 1.00 0.00 H new ATOM 1778 N GLY B 9 8.390 11.677 -4.154 1.00 0.00 N ATOM 1779 CA GLY B 9 7.174 12.013 -3.373 1.00 0.00 C ATOM 1780 C GLY B 9 6.807 13.466 -3.721 1.00 0.00 C ATOM 1781 O GLY B 9 6.836 13.817 -4.883 1.00 0.00 O ATOM 0 H GLY B 9 9.238 11.540 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.356 11.338 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.360 11.907 -2.304 1.00 0.00 H new ATOM 1785 N PRO B 10 6.499 14.298 -2.742 1.00 0.00 N ATOM 1786 CA PRO B 10 6.177 15.707 -3.031 1.00 0.00 C ATOM 1787 C PRO B 10 7.444 16.416 -3.537 1.00 0.00 C ATOM 1788 O PRO B 10 7.585 17.618 -3.422 1.00 0.00 O ATOM 1789 CB PRO B 10 5.701 16.295 -1.683 1.00 0.00 C ATOM 1790 CG PRO B 10 5.869 15.183 -0.607 1.00 0.00 C ATOM 1791 CD PRO B 10 6.425 13.929 -1.312 1.00 0.00 C ATOM 0 HA PRO B 10 5.413 15.826 -3.799 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.287 17.176 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.660 16.612 -1.748 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.548 15.512 0.180 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.913 14.963 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.407 13.659 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.774 13.068 -1.159 1.00 0.00 H new ATOM 1799 N SER B 11 8.361 15.670 -4.093 1.00 0.00 N ATOM 1800 CA SER B 11 9.621 16.272 -4.610 1.00 0.00 C ATOM 1801 C SER B 11 9.363 16.869 -5.995 1.00 0.00 C ATOM 1802 O SER B 11 10.142 17.652 -6.500 1.00 0.00 O ATOM 1803 CB SER B 11 10.692 15.180 -4.713 1.00 0.00 C ATOM 1804 OG SER B 11 11.899 15.751 -5.200 1.00 0.00 O ATOM 0 H SER B 11 8.289 14.659 -4.211 1.00 0.00 H new ATOM 0 HA SER B 11 9.962 17.057 -3.935 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.859 14.725 -3.737 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.356 14.387 -5.381 1.00 0.00 H new ATOM 0 HG SER B 11 12.587 15.056 -5.266 1.00 0.00 H new ATOM 1810 N HIS B 12 8.273 16.501 -6.611 1.00 0.00 N ATOM 1811 CA HIS B 12 7.958 17.041 -7.963 1.00 0.00 C ATOM 1812 C HIS B 12 9.165 16.848 -8.885 1.00 0.00 C ATOM 1813 O HIS B 12 9.315 15.821 -9.516 1.00 0.00 O ATOM 1814 CB HIS B 12 7.622 18.530 -7.852 1.00 0.00 C ATOM 1815 CG HIS B 12 7.290 19.073 -9.215 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.203 19.798 -9.965 1.00 0.00 N ATOM 1817 CD2 HIS B 12 6.150 19.004 -9.976 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.602 20.133 -11.122 1.00 0.00 C ATOM 1819 NE2 HIS B 12 6.349 19.674 -11.180 1.00 0.00 N ATOM 0 H HIS B 12 7.586 15.848 -6.235 1.00 0.00 H new ATOM 0 HA HIS B 12 7.102 16.509 -8.378 1.00 0.00 H new ATOM 0 HB2 HIS B 12 6.779 18.674 -7.176 1.00 0.00 H new ATOM 0 HB3 HIS B 12 8.466 19.074 -7.428 1.00 0.00 H new ATOM 0 HD1 HIS B 12 9.156 20.035 -9.690 1.00 0.00 H new ATOM 0 HD2 HIS B 12 5.237 18.506 -9.685 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.075 20.703 -11.908 1.00 0.00 H new ATOM 1827 N GLY B 13 10.028 17.824 -8.968 1.00 0.00 N ATOM 1828 CA GLY B 13 11.222 17.688 -9.849 1.00 0.00 C ATOM 1829 C GLY B 13 11.995 19.007 -9.870 1.00 0.00 C ATOM 1830 O GLY B 13 13.133 18.998 -10.309 1.00 0.00 O ATOM 1831 OXT GLY B 13 11.437 20.006 -9.446 1.00 0.00 O ATOM 0 H GLY B 13 9.958 18.708 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY B 13 11.864 16.884 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY B 13 10.913 17.420 -10.859 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.838 -10.485 -1.404 1.00 0.24 O HETATM 1839 O HOH A 107 9.811 -3.691 5.013 1.00 0.40 O HETATM 1842 O HOH A 108 12.696 1.555 2.365 1.00 0.32 O HETATM 1845 O HOH A 109 -8.970 -8.742 -0.099 1.00 0.26 O HETATM 1848 O HOH A 110 -7.502 -13.074 0.439 1.00 0.21 O HETATM 1851 O HOH A 111 -12.091 -2.728 0.200 1.00 0.37 O