USER MOD reduce.3.24.130724 H: found=0, std=0, add=1066, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1056 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 66 HIS : no HD1:sc= -0.269 K(o=-2.3,f=-1.7) USER MOD Set 1.2: B 68 HIS : no HE2:sc= -2.03 X(o=-2.3,f=-2.7!) USER MOD Set 2.1: A 68 HIS : no HD1:sc= -5.77! C(o=-8.2!,f=-5.4!) USER MOD Set 2.2: A 69 HIS : no HD1:sc= -2.47! C(o=-8.2!,f=-16!) USER MOD Set 3.1: A 33 SER OG : rot 161:sc= 0.171 USER MOD Set 3.2: A 35 LYS NZ :NH3+ 162:sc= 0.136 (180deg=-0.451) USER MOD Set 4.1: A 27 THR OG1 : rot -137:sc= -0.111 USER MOD Set 4.2: B 5 GLN : amide:sc= -2.5 K(o=-2.6,f=-7!) USER MOD Set 5.1: A 5 GLN : amide:sc= -6.86! C(o=-7!,f=-6.5!) USER MOD Set 5.2: B 27 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.0739 (180deg=-0.278) USER MOD Single : A 3 ASN : amide:sc= -4.07! K(o=-4.1!,f=-0.83) USER MOD Single : A 8 SER OG : rot 40:sc= 0.427 USER MOD Single : A 10 THR OG1 : rot -168:sc= 0.887 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 17 SER OG : rot -82:sc= 0.0413 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.507 K(o=-0.51,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0891) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.165 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.58) USER MOD Single : A 70 HIS : no HD1:sc=-0.00562 X(o=-0.0056,f=-0.1) USER MOD Single : A 71 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.42) USER MOD Single : B 1 MET CE :methyl 154:sc= -0.169 (180deg=-1.23!) USER MOD Single : B 1 MET N :NH3+ -158:sc= -0.0415 (180deg=-0.495) USER MOD Single : B 3 ASN : amide:sc= -2.63! C(o=-2.6!,f=-7.3!) USER MOD Single : B 8 SER OG : rot -116:sc= 0.171 USER MOD Single : B 10 THR OG1 : rot -47:sc= 0.346! USER MOD Single : B 13 SER OG : rot -150:sc= 0.00956 USER MOD Single : B 14 LYS NZ :NH3+ -137:sc= 0.535 (180deg=-0.791) USER MOD Single : B 16 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.3) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 151:sc= -0.269 (180deg=-1.39!) USER MOD Single : B 29 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.76) USER MOD Single : B 33 SER OG : rot 180:sc= -0.652 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0619) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 62 TYR OH : rot 110:sc= -1.68 USER MOD Single : B 67 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-5.8!) USER MOD Single : B 69 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.2) USER MOD Single : B 70 HIS : no HD1:sc= 0.481 K(o=0.48,f=-5.9!) USER MOD Single : B 71 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.893 13.921 -9.912 1.00 0.00 N ATOM 2 CA MET A 1 -13.514 13.542 -10.327 1.00 0.00 C ATOM 3 C MET A 1 -13.343 12.030 -10.186 1.00 0.00 C ATOM 4 O MET A 1 -14.307 11.294 -10.109 1.00 0.00 O ATOM 5 CB MET A 1 -12.497 14.253 -9.431 1.00 0.00 C ATOM 6 CG MET A 1 -12.523 15.755 -9.709 1.00 0.00 C ATOM 7 SD MET A 1 -11.306 16.577 -8.652 1.00 0.00 S ATOM 8 CE MET A 1 -11.811 18.277 -9.012 1.00 0.00 C ATOM 0 H1 MET A 1 -15.260 14.652 -10.554 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.509 13.084 -9.951 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.874 14.292 -8.941 1.00 0.00 H new ATOM 0 HA MET A 1 -13.352 13.835 -11.364 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.728 14.064 -8.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.498 13.857 -9.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.299 15.947 -10.758 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.518 16.155 -9.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.181 18.970 -8.454 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.705 18.470 -10.080 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.852 18.417 -8.719 1.00 0.00 H new ATOM 20 N ASP A 2 -12.124 11.565 -10.147 1.00 0.00 N ATOM 21 CA ASP A 2 -11.883 10.099 -10.009 1.00 0.00 C ATOM 22 C ASP A 2 -10.546 9.890 -9.286 1.00 0.00 C ATOM 23 O ASP A 2 -9.484 10.045 -9.856 1.00 0.00 O ATOM 24 CB ASP A 2 -11.849 9.457 -11.416 1.00 0.00 C ATOM 25 CG ASP A 2 -13.056 8.531 -11.637 1.00 0.00 C ATOM 26 OD1 ASP A 2 -14.049 8.696 -10.949 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.964 7.671 -12.497 1.00 0.00 O ATOM 0 H ASP A 2 -11.282 12.138 -10.205 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.679 9.630 -9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.844 10.239 -12.175 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.926 8.890 -11.537 1.00 0.00 H new ATOM 32 N ASN A 3 -10.608 9.538 -8.035 1.00 0.00 N ATOM 33 CA ASN A 3 -9.363 9.309 -7.245 1.00 0.00 C ATOM 34 C ASN A 3 -9.636 8.231 -6.183 1.00 0.00 C ATOM 35 O ASN A 3 -8.854 8.013 -5.282 1.00 0.00 O ATOM 36 CB ASN A 3 -8.951 10.618 -6.566 1.00 0.00 C ATOM 37 CG ASN A 3 -10.192 11.345 -6.080 1.00 0.00 C ATOM 38 OD1 ASN A 3 -10.847 12.034 -6.835 1.00 0.00 O ATOM 39 ND2 ASN A 3 -10.542 11.217 -4.836 1.00 0.00 N ATOM 0 H ASN A 3 -11.476 9.397 -7.518 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.558 8.976 -7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.285 10.412 -5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.399 11.246 -7.266 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.372 11.697 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.987 10.636 -4.207 1.00 0.00 H new ATOM 46 N ARG A 4 -10.740 7.549 -6.285 1.00 0.00 N ATOM 47 CA ARG A 4 -11.044 6.481 -5.287 1.00 0.00 C ATOM 48 C ARG A 4 -10.216 5.246 -5.641 1.00 0.00 C ATOM 49 O ARG A 4 -9.987 4.961 -6.801 1.00 0.00 O ATOM 50 CB ARG A 4 -12.536 6.127 -5.336 1.00 0.00 C ATOM 51 CG ARG A 4 -13.392 7.341 -4.931 1.00 0.00 C ATOM 52 CD ARG A 4 -13.528 7.407 -3.408 1.00 0.00 C ATOM 53 NE ARG A 4 -14.198 6.167 -2.919 1.00 0.00 N ATOM 54 CZ ARG A 4 -15.498 6.061 -2.996 1.00 0.00 C ATOM 55 NH1 ARG A 4 -16.202 7.031 -3.509 1.00 0.00 N ATOM 56 NH2 ARG A 4 -16.093 4.982 -2.561 1.00 0.00 N ATOM 0 H ARG A 4 -11.444 7.681 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.799 6.829 -4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.806 5.803 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.740 5.291 -4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.935 8.258 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.379 7.269 -5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.545 7.509 -2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.107 8.285 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.644 5.406 -2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.738 7.873 -3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -17.217 6.948 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.543 4.222 -2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.108 4.900 -2.621 1.00 0.00 H new ATOM 70 N GLN A 5 -9.753 4.514 -4.661 1.00 0.00 N ATOM 71 CA GLN A 5 -8.928 3.307 -4.966 1.00 0.00 C ATOM 72 C GLN A 5 -9.178 2.215 -3.920 1.00 0.00 C ATOM 73 O GLN A 5 -9.592 2.481 -2.797 1.00 0.00 O ATOM 74 CB GLN A 5 -7.447 3.698 -4.970 1.00 0.00 C ATOM 75 CG GLN A 5 -6.606 2.576 -5.580 1.00 0.00 C ATOM 76 CD GLN A 5 -5.188 3.091 -5.835 1.00 0.00 C ATOM 77 OE1 GLN A 5 -4.504 3.511 -4.923 1.00 0.00 O ATOM 78 NE2 GLN A 5 -4.714 3.083 -7.053 1.00 0.00 N ATOM 0 H GLN A 5 -9.909 4.698 -3.670 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.206 2.918 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.308 4.617 -5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.114 3.900 -3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.579 1.719 -4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.055 2.235 -6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.286 2.731 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.772 3.429 -7.236 1.00 0.00 H new ATOM 87 N PHE A 6 -8.926 0.987 -4.297 1.00 0.00 N ATOM 88 CA PHE A 6 -9.128 -0.169 -3.376 1.00 0.00 C ATOM 89 C PHE A 6 -7.763 -0.715 -2.972 1.00 0.00 C ATOM 90 O PHE A 6 -7.036 -1.236 -3.793 1.00 0.00 O ATOM 91 CB PHE A 6 -9.898 -1.266 -4.119 1.00 0.00 C ATOM 92 CG PHE A 6 -11.106 -0.645 -4.762 1.00 0.00 C ATOM 93 CD1 PHE A 6 -12.199 -0.342 -3.970 1.00 0.00 C ATOM 94 CD2 PHE A 6 -11.115 -0.341 -6.128 1.00 0.00 C ATOM 95 CE1 PHE A 6 -13.326 0.262 -4.519 1.00 0.00 C ATOM 96 CE2 PHE A 6 -12.247 0.260 -6.696 1.00 0.00 C ATOM 97 CZ PHE A 6 -13.354 0.570 -5.888 1.00 0.00 C ATOM 0 H PHE A 6 -8.582 0.734 -5.223 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.685 0.146 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -9.263 -1.730 -4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.199 -2.053 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -12.177 -0.576 -2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.255 -0.568 -6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -14.176 0.493 -3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.268 0.484 -7.752 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.224 1.044 -6.319 1.00 0.00 H new ATOM 107 N LEU A 7 -7.410 -0.605 -1.719 1.00 0.00 N ATOM 108 CA LEU A 7 -6.084 -1.123 -1.254 1.00 0.00 C ATOM 109 C LEU A 7 -6.330 -2.297 -0.314 1.00 0.00 C ATOM 110 O LEU A 7 -7.067 -2.191 0.647 1.00 0.00 O ATOM 111 CB LEU A 7 -5.341 -0.007 -0.507 1.00 0.00 C ATOM 112 CG LEU A 7 -3.868 -0.400 -0.262 1.00 0.00 C ATOM 113 CD1 LEU A 7 -3.059 0.867 0.047 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.753 -1.387 0.921 1.00 0.00 C ATOM 0 H LEU A 7 -7.984 -0.177 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.482 -1.447 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.385 0.916 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.833 0.190 0.445 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.478 -0.888 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.017 0.600 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.121 1.553 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.464 1.349 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.706 -1.650 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.147 -0.920 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.325 -2.288 0.700 1.00 0.00 H new ATOM 126 N SER A 8 -5.719 -3.418 -0.589 1.00 0.00 N ATOM 127 CA SER A 8 -5.902 -4.622 0.278 1.00 0.00 C ATOM 128 C SER A 8 -4.531 -5.214 0.592 1.00 0.00 C ATOM 129 O SER A 8 -3.660 -5.262 -0.254 1.00 0.00 O ATOM 130 CB SER A 8 -6.742 -5.660 -0.469 1.00 0.00 C ATOM 131 OG SER A 8 -6.868 -6.824 0.335 1.00 0.00 O ATOM 0 H SER A 8 -5.095 -3.554 -1.384 1.00 0.00 H new ATOM 0 HA SER A 8 -6.408 -4.342 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.727 -5.253 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.272 -5.910 -1.420 1.00 0.00 H new ATOM 0 HG SER A 8 -6.993 -6.563 1.271 1.00 0.00 H new ATOM 137 N LEU A 9 -4.332 -5.662 1.807 1.00 0.00 N ATOM 138 CA LEU A 9 -3.013 -6.256 2.196 1.00 0.00 C ATOM 139 C LEU A 9 -3.255 -7.593 2.897 1.00 0.00 C ATOM 140 O LEU A 9 -4.255 -7.780 3.568 1.00 0.00 O ATOM 141 CB LEU A 9 -2.283 -5.307 3.153 1.00 0.00 C ATOM 142 CG LEU A 9 -0.876 -5.844 3.461 1.00 0.00 C ATOM 143 CD1 LEU A 9 -0.017 -5.863 2.181 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.224 -4.943 4.515 1.00 0.00 C ATOM 0 H LEU A 9 -5.030 -5.642 2.551 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.404 -6.409 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.212 -4.314 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.851 -5.203 4.077 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.950 -6.864 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.976 -6.246 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.487 -6.506 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.068 -4.851 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.776 -5.314 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.155 -3.925 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.828 -4.948 5.422 1.00 0.00 H new ATOM 156 N THR A 10 -2.343 -8.522 2.744 1.00 0.00 N ATOM 157 CA THR A 10 -2.495 -9.860 3.395 1.00 0.00 C ATOM 158 C THR A 10 -1.252 -10.151 4.237 1.00 0.00 C ATOM 159 O THR A 10 -0.175 -9.659 3.960 1.00 0.00 O ATOM 160 CB THR A 10 -2.634 -10.932 2.306 1.00 0.00 C ATOM 161 OG1 THR A 10 -1.342 -11.327 1.866 1.00 0.00 O ATOM 162 CG2 THR A 10 -3.423 -10.367 1.123 1.00 0.00 C ATOM 0 H THR A 10 -1.493 -8.409 2.191 1.00 0.00 H new ATOM 0 HA THR A 10 -3.379 -9.866 4.033 1.00 0.00 H new ATOM 0 HB THR A 10 -3.162 -11.794 2.713 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.424 -11.857 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.520 -11.131 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.414 -10.063 1.459 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.898 -9.504 0.714 1.00 0.00 H new ATOM 170 N GLY A 11 -1.388 -10.952 5.258 1.00 0.00 N ATOM 171 CA GLY A 11 -0.209 -11.279 6.109 1.00 0.00 C ATOM 172 C GLY A 11 0.092 -10.110 7.052 1.00 0.00 C ATOM 173 O GLY A 11 1.103 -10.088 7.724 1.00 0.00 O ATOM 0 H GLY A 11 -2.263 -11.394 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.405 -12.182 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.658 -11.484 5.481 1.00 0.00 H new ATOM 177 N VAL A 12 -0.776 -9.132 7.103 1.00 0.00 N ATOM 178 CA VAL A 12 -0.533 -7.958 7.994 1.00 0.00 C ATOM 179 C VAL A 12 -0.390 -8.424 9.442 1.00 0.00 C ATOM 180 O VAL A 12 -1.048 -9.352 9.873 1.00 0.00 O ATOM 181 CB VAL A 12 -1.702 -6.974 7.880 1.00 0.00 C ATOM 182 CG1 VAL A 12 -2.944 -7.556 8.564 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.316 -5.656 8.556 1.00 0.00 C ATOM 0 H VAL A 12 -1.642 -9.096 6.566 1.00 0.00 H new ATOM 0 HA VAL A 12 0.388 -7.461 7.688 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.926 -6.798 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.771 -6.851 8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.217 -8.495 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.728 -7.737 9.617 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.144 -4.951 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.092 -5.838 9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.437 -5.239 8.065 1.00 0.00 H new ATOM 193 N SER A 13 0.472 -7.791 10.193 1.00 0.00 N ATOM 194 CA SER A 13 0.666 -8.201 11.610 1.00 0.00 C ATOM 195 C SER A 13 -0.535 -7.761 12.451 1.00 0.00 C ATOM 196 O SER A 13 -1.069 -8.535 13.222 1.00 0.00 O ATOM 197 CB SER A 13 1.936 -7.549 12.163 1.00 0.00 C ATOM 198 OG SER A 13 3.034 -7.879 11.325 1.00 0.00 O ATOM 0 H SER A 13 1.049 -7.008 9.884 1.00 0.00 H new ATOM 0 HA SER A 13 0.760 -9.286 11.656 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.812 -6.467 12.211 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.123 -7.894 13.180 1.00 0.00 H new ATOM 0 HG SER A 13 3.849 -7.462 11.674 1.00 0.00 H new ATOM 204 N LYS A 14 -0.968 -6.531 12.320 1.00 0.00 N ATOM 205 CA LYS A 14 -2.136 -6.074 13.137 1.00 0.00 C ATOM 206 C LYS A 14 -2.586 -4.674 12.695 1.00 0.00 C ATOM 207 O LYS A 14 -1.929 -4.013 11.914 1.00 0.00 O ATOM 208 CB LYS A 14 -1.739 -6.049 14.629 1.00 0.00 C ATOM 209 CG LYS A 14 -1.155 -4.677 15.003 1.00 0.00 C ATOM 210 CD LYS A 14 -0.302 -4.790 16.251 1.00 0.00 C ATOM 211 CE LYS A 14 -1.182 -5.163 17.448 1.00 0.00 C ATOM 212 NZ LYS A 14 -0.386 -5.091 18.706 1.00 0.00 N ATOM 0 H LYS A 14 -0.570 -5.832 11.692 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.964 -6.767 12.989 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.611 -6.262 15.248 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.007 -6.831 14.831 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.555 -4.293 14.178 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.962 -3.964 15.170 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.471 -5.545 16.107 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.206 -3.845 16.442 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.035 -4.487 17.508 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.581 -6.169 17.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.990 -5.345 19.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.414 -5.753 18.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.026 -4.124 18.834 1.00 0.00 H new ATOM 226 N VAL A 15 -3.685 -4.215 13.229 1.00 0.00 N ATOM 227 CA VAL A 15 -4.183 -2.847 12.902 1.00 0.00 C ATOM 228 C VAL A 15 -3.821 -1.896 14.048 1.00 0.00 C ATOM 229 O VAL A 15 -4.433 -1.913 15.100 1.00 0.00 O ATOM 230 CB VAL A 15 -5.700 -2.903 12.736 1.00 0.00 C ATOM 231 CG1 VAL A 15 -6.245 -1.503 12.449 1.00 0.00 C ATOM 232 CG2 VAL A 15 -6.041 -3.834 11.570 1.00 0.00 C ATOM 0 H VAL A 15 -4.266 -4.736 13.886 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.727 -2.489 11.979 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.152 -3.278 13.654 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.328 -1.551 12.332 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.999 -0.840 13.278 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.797 -1.119 11.532 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.123 -3.879 11.445 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.586 -3.454 10.656 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.658 -4.833 11.778 1.00 0.00 H new ATOM 242 N GLN A 16 -2.820 -1.076 13.859 1.00 0.00 N ATOM 243 CA GLN A 16 -2.409 -0.133 14.941 1.00 0.00 C ATOM 244 C GLN A 16 -3.537 0.857 15.220 1.00 0.00 C ATOM 245 O GLN A 16 -3.812 1.195 16.354 1.00 0.00 O ATOM 246 CB GLN A 16 -1.149 0.621 14.501 1.00 0.00 C ATOM 247 CG GLN A 16 -0.734 1.628 15.577 1.00 0.00 C ATOM 248 CD GLN A 16 0.584 2.288 15.163 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.662 2.916 14.127 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.632 2.169 15.933 1.00 0.00 N ATOM 0 H GLN A 16 -2.270 -1.019 13.002 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.198 -0.692 15.852 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.338 -0.085 14.321 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.336 1.139 13.560 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.509 2.384 15.704 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.618 1.126 16.537 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.568 1.642 16.804 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.515 2.603 15.664 1.00 0.00 H new ATOM 259 N SER A 17 -4.190 1.328 14.195 1.00 0.00 N ATOM 260 CA SER A 17 -5.300 2.300 14.399 1.00 0.00 C ATOM 261 C SER A 17 -6.221 2.277 13.183 1.00 0.00 C ATOM 262 O SER A 17 -5.802 1.991 12.078 1.00 0.00 O ATOM 263 CB SER A 17 -4.724 3.703 14.562 1.00 0.00 C ATOM 264 OG SER A 17 -5.784 4.617 14.811 1.00 0.00 O ATOM 0 H SER A 17 -4.003 1.081 13.223 1.00 0.00 H new ATOM 0 HA SER A 17 -5.861 2.028 15.293 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.010 3.723 15.385 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.181 3.993 13.662 1.00 0.00 H new ATOM 0 HG SER A 17 -6.204 4.870 13.962 1.00 0.00 H new ATOM 270 N PHE A 18 -7.474 2.590 13.382 1.00 0.00 N ATOM 271 CA PHE A 18 -8.450 2.610 12.253 1.00 0.00 C ATOM 272 C PHE A 18 -9.236 3.922 12.291 1.00 0.00 C ATOM 273 O PHE A 18 -10.030 4.147 13.182 1.00 0.00 O ATOM 274 CB PHE A 18 -9.419 1.432 12.399 1.00 0.00 C ATOM 275 CG PHE A 18 -10.497 1.531 11.343 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.214 1.187 10.014 1.00 0.00 C ATOM 277 CD2 PHE A 18 -11.779 1.974 11.692 1.00 0.00 C ATOM 278 CE1 PHE A 18 -11.215 1.282 9.038 1.00 0.00 C ATOM 279 CE2 PHE A 18 -12.778 2.070 10.716 1.00 0.00 C ATOM 280 CZ PHE A 18 -12.497 1.726 9.391 1.00 0.00 C ATOM 0 H PHE A 18 -7.868 2.836 14.290 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.918 2.528 11.305 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.881 0.490 12.297 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.867 1.437 13.393 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.225 0.849 9.742 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.997 2.242 12.715 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.999 1.013 8.014 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.767 2.410 10.987 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.268 1.802 8.639 1.00 0.00 H new ATOM 290 N ASP A 19 -9.030 4.780 11.321 1.00 0.00 N ATOM 291 CA ASP A 19 -9.773 6.084 11.284 1.00 0.00 C ATOM 292 C ASP A 19 -10.328 6.291 9.865 1.00 0.00 C ATOM 293 O ASP A 19 -9.753 5.817 8.903 1.00 0.00 O ATOM 294 CB ASP A 19 -8.823 7.244 11.659 1.00 0.00 C ATOM 295 CG ASP A 19 -7.711 6.727 12.574 1.00 0.00 C ATOM 296 OD1 ASP A 19 -8.033 6.203 13.626 1.00 0.00 O ATOM 297 OD2 ASP A 19 -6.555 6.868 12.207 1.00 0.00 O ATOM 0 H ASP A 19 -8.378 4.635 10.550 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.593 6.066 12.002 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.392 7.679 10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.380 8.035 12.160 1.00 0.00 H new ATOM 302 N PRO A 20 -11.429 6.990 9.725 1.00 0.00 N ATOM 303 CA PRO A 20 -12.040 7.242 8.387 1.00 0.00 C ATOM 304 C PRO A 20 -11.221 8.251 7.573 1.00 0.00 C ATOM 305 O PRO A 20 -11.449 8.441 6.394 1.00 0.00 O ATOM 306 CB PRO A 20 -13.431 7.797 8.726 1.00 0.00 C ATOM 307 CG PRO A 20 -13.273 8.441 10.066 1.00 0.00 C ATOM 308 CD PRO A 20 -12.211 7.622 10.808 1.00 0.00 C ATOM 0 HA PRO A 20 -12.080 6.345 7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.762 8.518 7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -14.177 7.003 8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.963 9.481 9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.216 8.442 10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.584 8.256 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.665 6.876 11.460 1.00 0.00 H new ATOM 316 N LYS A 21 -10.270 8.897 8.201 1.00 0.00 N ATOM 317 CA LYS A 21 -9.418 9.899 7.487 1.00 0.00 C ATOM 318 C LYS A 21 -7.939 9.594 7.746 1.00 0.00 C ATOM 319 O LYS A 21 -7.066 10.382 7.432 1.00 0.00 O ATOM 320 CB LYS A 21 -9.759 11.306 7.984 1.00 0.00 C ATOM 321 CG LYS A 21 -11.199 11.641 7.579 1.00 0.00 C ATOM 322 CD LYS A 21 -11.529 13.096 7.931 1.00 0.00 C ATOM 323 CE LYS A 21 -11.624 13.271 9.448 1.00 0.00 C ATOM 324 NZ LYS A 21 -12.288 14.571 9.753 1.00 0.00 N ATOM 0 H LYS A 21 -10.045 8.772 9.188 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.609 9.843 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.650 11.360 9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.069 12.034 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.329 11.481 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.892 10.971 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.760 13.757 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.472 13.384 7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.190 12.449 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.629 13.245 9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.354 14.694 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.730 15.349 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.243 14.578 9.341 1.00 0.00 H new ATOM 338 N GLU A 22 -7.654 8.447 8.307 1.00 0.00 N ATOM 339 CA GLU A 22 -6.236 8.069 8.577 1.00 0.00 C ATOM 340 C GLU A 22 -6.191 6.592 8.980 1.00 0.00 C ATOM 341 O GLU A 22 -6.847 6.179 9.914 1.00 0.00 O ATOM 342 CB GLU A 22 -5.678 8.933 9.711 1.00 0.00 C ATOM 343 CG GLU A 22 -4.161 8.737 9.801 1.00 0.00 C ATOM 344 CD GLU A 22 -3.567 9.744 10.786 1.00 0.00 C ATOM 345 OE1 GLU A 22 -4.310 10.249 11.613 1.00 0.00 O ATOM 346 OE2 GLU A 22 -2.373 9.987 10.703 1.00 0.00 O ATOM 0 H GLU A 22 -8.346 7.754 8.591 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.632 8.228 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.910 9.983 9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.148 8.660 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.935 7.721 10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.709 8.866 8.817 1.00 0.00 H new ATOM 353 N ILE A 23 -5.433 5.789 8.276 1.00 0.00 N ATOM 354 CA ILE A 23 -5.355 4.328 8.610 1.00 0.00 C ATOM 355 C ILE A 23 -3.899 3.936 8.873 1.00 0.00 C ATOM 356 O ILE A 23 -3.015 4.233 8.094 1.00 0.00 O ATOM 357 CB ILE A 23 -5.898 3.515 7.428 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.370 3.899 7.148 1.00 0.00 C ATOM 359 CG2 ILE A 23 -5.787 2.019 7.741 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.339 3.132 8.060 1.00 0.00 C ATOM 0 H ILE A 23 -4.863 6.080 7.482 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.947 4.124 9.502 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.309 3.737 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.501 4.971 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.609 3.690 6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.173 1.442 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.742 1.759 7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.367 1.790 8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.363 3.428 7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.226 2.061 7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.117 3.362 9.102 1.00 0.00 H new ATOM 372 N LEU A 24 -3.657 3.268 9.971 1.00 0.00 N ATOM 373 CA LEU A 24 -2.268 2.834 10.326 1.00 0.00 C ATOM 374 C LEU A 24 -2.204 1.303 10.283 1.00 0.00 C ATOM 375 O LEU A 24 -3.032 0.628 10.858 1.00 0.00 O ATOM 376 CB LEU A 24 -1.939 3.309 11.744 1.00 0.00 C ATOM 377 CG LEU A 24 -2.189 4.819 11.868 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.702 5.309 13.237 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.445 5.570 10.759 1.00 0.00 C ATOM 0 H LEU A 24 -4.372 3.000 10.648 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.553 3.259 9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.552 2.771 12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.898 3.085 11.978 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.258 5.011 11.770 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.880 6.381 13.324 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.244 4.786 14.025 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.635 5.109 13.337 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.630 6.640 10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.376 5.377 10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.800 5.228 9.787 1.00 0.00 H new ATOM 391 N LEU A 25 -1.229 0.755 9.598 1.00 0.00 N ATOM 392 CA LEU A 25 -1.105 -0.737 9.504 1.00 0.00 C ATOM 393 C LEU A 25 0.321 -1.176 9.852 1.00 0.00 C ATOM 394 O LEU A 25 1.277 -0.733 9.242 1.00 0.00 O ATOM 395 CB LEU A 25 -1.415 -1.171 8.066 1.00 0.00 C ATOM 396 CG LEU A 25 -2.860 -0.809 7.708 1.00 0.00 C ATOM 397 CD1 LEU A 25 -3.105 -1.119 6.227 1.00 0.00 C ATOM 398 CD2 LEU A 25 -3.840 -1.616 8.579 1.00 0.00 C ATOM 0 H LEU A 25 -0.510 1.278 9.098 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.803 -1.196 10.204 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.728 -0.684 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.264 -2.245 7.961 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.022 0.253 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.132 -0.863 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.419 -0.534 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.938 -2.181 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.864 -1.351 8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.686 -2.681 8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.665 -1.388 9.630 1.00 0.00 H new ATOM 410 N GLU A 26 0.478 -2.055 10.815 1.00 0.00 N ATOM 411 CA GLU A 26 1.841 -2.537 11.177 1.00 0.00 C ATOM 412 C GLU A 26 2.087 -3.856 10.442 1.00 0.00 C ATOM 413 O GLU A 26 1.333 -4.804 10.587 1.00 0.00 O ATOM 414 CB GLU A 26 1.896 -2.749 12.695 1.00 0.00 C ATOM 415 CG GLU A 26 3.211 -3.435 13.134 1.00 0.00 C ATOM 416 CD GLU A 26 2.969 -4.194 14.440 1.00 0.00 C ATOM 417 OE1 GLU A 26 2.411 -5.281 14.371 1.00 0.00 O ATOM 418 OE2 GLU A 26 3.326 -3.676 15.480 1.00 0.00 O ATOM 0 H GLU A 26 -0.282 -2.457 11.363 1.00 0.00 H new ATOM 0 HA GLU A 26 2.607 -1.815 10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.802 -1.787 13.200 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.047 -3.357 13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.554 -4.120 12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.995 -2.691 13.272 1.00 0.00 H new ATOM 425 N THR A 27 3.141 -3.919 9.664 1.00 0.00 N ATOM 426 CA THR A 27 3.471 -5.172 8.916 1.00 0.00 C ATOM 427 C THR A 27 4.907 -5.601 9.233 1.00 0.00 C ATOM 428 O THR A 27 5.747 -4.790 9.571 1.00 0.00 O ATOM 429 CB THR A 27 3.329 -4.918 7.414 1.00 0.00 C ATOM 430 OG1 THR A 27 3.830 -6.039 6.699 1.00 0.00 O ATOM 431 CG2 THR A 27 4.117 -3.666 7.024 1.00 0.00 C ATOM 0 H THR A 27 3.792 -3.148 9.514 1.00 0.00 H new ATOM 0 HA THR A 27 2.787 -5.965 9.217 1.00 0.00 H new ATOM 0 HB THR A 27 2.277 -4.768 7.169 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.367 -5.729 5.940 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.013 -3.489 5.953 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.731 -2.807 7.573 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.170 -3.808 7.267 1.00 0.00 H new ATOM 439 N ILE A 28 5.174 -6.881 9.109 1.00 0.00 N ATOM 440 CA ILE A 28 6.537 -7.453 9.375 1.00 0.00 C ATOM 441 C ILE A 28 7.298 -6.630 10.426 1.00 0.00 C ATOM 442 O ILE A 28 7.293 -6.949 11.599 1.00 0.00 O ATOM 443 CB ILE A 28 7.345 -7.494 8.071 1.00 0.00 C ATOM 444 CG1 ILE A 28 6.520 -8.186 6.982 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.636 -8.296 8.297 1.00 0.00 C ATOM 446 CD1 ILE A 28 7.237 -8.053 5.635 1.00 0.00 C ATOM 0 H ILE A 28 4.482 -7.575 8.826 1.00 0.00 H new ATOM 0 HA ILE A 28 6.407 -8.463 9.764 1.00 0.00 H new ATOM 0 HB ILE A 28 7.587 -6.476 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.381 -9.238 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.528 -7.739 6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.212 -8.327 7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.229 -7.819 9.078 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.385 -9.312 8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.650 -8.546 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.353 -6.998 5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.220 -8.521 5.698 1.00 0.00 H new ATOM 458 N GLN A 29 7.976 -5.587 10.009 1.00 0.00 N ATOM 459 CA GLN A 29 8.761 -4.756 10.971 1.00 0.00 C ATOM 460 C GLN A 29 8.700 -3.279 10.565 1.00 0.00 C ATOM 461 O GLN A 29 9.710 -2.653 10.317 1.00 0.00 O ATOM 462 CB GLN A 29 10.218 -5.232 10.971 1.00 0.00 C ATOM 463 CG GLN A 29 10.754 -5.301 9.533 1.00 0.00 C ATOM 464 CD GLN A 29 12.149 -5.928 9.540 1.00 0.00 C ATOM 465 OE1 GLN A 29 12.559 -6.518 10.519 1.00 0.00 O ATOM 466 NE2 GLN A 29 12.899 -5.832 8.476 1.00 0.00 N ATOM 0 H GLN A 29 8.018 -5.276 9.039 1.00 0.00 H new ATOM 0 HA GLN A 29 8.337 -4.862 11.970 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.830 -4.552 11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.288 -6.213 11.440 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.081 -5.891 8.910 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.795 -4.302 9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.556 -5.337 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.828 -6.252 8.467 1.00 0.00 H new ATOM 475 N GLY A 30 7.526 -2.717 10.507 1.00 0.00 N ATOM 476 CA GLY A 30 7.410 -1.281 10.122 1.00 0.00 C ATOM 477 C GLY A 30 5.949 -0.833 10.226 1.00 0.00 C ATOM 478 O GLY A 30 5.042 -1.642 10.233 1.00 0.00 O ATOM 0 H GLY A 30 6.643 -3.187 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.035 -0.669 10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.773 -1.137 9.104 1.00 0.00 H new ATOM 482 N VAL A 31 5.722 0.456 10.305 1.00 0.00 N ATOM 483 CA VAL A 31 4.326 0.991 10.409 1.00 0.00 C ATOM 484 C VAL A 31 4.021 1.834 9.171 1.00 0.00 C ATOM 485 O VAL A 31 4.784 2.702 8.797 1.00 0.00 O ATOM 486 CB VAL A 31 4.208 1.864 11.664 1.00 0.00 C ATOM 487 CG1 VAL A 31 2.873 2.620 11.655 1.00 0.00 C ATOM 488 CG2 VAL A 31 4.279 0.978 12.909 1.00 0.00 C ATOM 0 H VAL A 31 6.452 1.168 10.302 1.00 0.00 H new ATOM 0 HA VAL A 31 3.618 0.165 10.475 1.00 0.00 H new ATOM 0 HB VAL A 31 5.027 2.583 11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.798 3.237 12.550 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.821 3.255 10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.050 1.905 11.638 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.195 1.598 13.802 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.462 0.257 12.890 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.231 0.447 12.924 1.00 0.00 H new ATOM 498 N LEU A 32 2.900 1.589 8.540 1.00 0.00 N ATOM 499 CA LEU A 32 2.512 2.372 7.326 1.00 0.00 C ATOM 500 C LEU A 32 1.330 3.269 7.667 1.00 0.00 C ATOM 501 O LEU A 32 0.318 2.813 8.163 1.00 0.00 O ATOM 502 CB LEU A 32 2.112 1.410 6.201 1.00 0.00 C ATOM 503 CG LEU A 32 1.808 2.191 4.914 1.00 0.00 C ATOM 504 CD1 LEU A 32 3.064 2.934 4.425 1.00 0.00 C ATOM 505 CD2 LEU A 32 1.336 1.206 3.841 1.00 0.00 C ATOM 0 H LEU A 32 2.230 0.872 8.817 1.00 0.00 H new ATOM 0 HA LEU A 32 3.355 2.981 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.916 0.697 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.236 0.834 6.500 1.00 0.00 H new ATOM 0 HG LEU A 32 1.030 2.928 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.830 3.482 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.395 3.633 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.857 2.214 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.116 1.748 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.119 0.472 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.436 0.696 4.185 1.00 0.00 H new ATOM 517 N SER A 33 1.457 4.544 7.405 1.00 0.00 N ATOM 518 CA SER A 33 0.351 5.498 7.707 1.00 0.00 C ATOM 519 C SER A 33 -0.261 5.999 6.403 1.00 0.00 C ATOM 520 O SER A 33 0.419 6.548 5.559 1.00 0.00 O ATOM 521 CB SER A 33 0.909 6.685 8.497 1.00 0.00 C ATOM 522 OG SER A 33 -0.073 7.708 8.564 1.00 0.00 O ATOM 0 H SER A 33 2.287 4.968 6.991 1.00 0.00 H new ATOM 0 HA SER A 33 -0.415 4.993 8.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.190 6.368 9.501 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.812 7.063 8.018 1.00 0.00 H new ATOM 0 HG SER A 33 0.142 8.320 9.298 1.00 0.00 H new ATOM 528 N ILE A 34 -1.544 5.811 6.240 1.00 0.00 N ATOM 529 CA ILE A 34 -2.238 6.270 4.997 1.00 0.00 C ATOM 530 C ILE A 34 -3.189 7.408 5.356 1.00 0.00 C ATOM 531 O ILE A 34 -3.976 7.299 6.275 1.00 0.00 O ATOM 532 CB ILE A 34 -3.030 5.107 4.394 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.064 3.991 3.978 1.00 0.00 C ATOM 534 CG2 ILE A 34 -3.802 5.594 3.166 1.00 0.00 C ATOM 535 CD1 ILE A 34 -2.854 2.730 3.628 1.00 0.00 C ATOM 0 H ILE A 34 -2.149 5.354 6.922 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.505 6.617 4.269 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.731 4.725 5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.472 4.310 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.365 3.781 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.365 4.765 2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.490 6.387 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.101 5.978 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.165 1.939 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.427 2.407 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.535 2.944 2.804 1.00 0.00 H new ATOM 547 N LYS A 35 -3.114 8.499 4.638 1.00 0.00 N ATOM 548 CA LYS A 35 -4.003 9.669 4.923 1.00 0.00 C ATOM 549 C LYS A 35 -4.914 9.919 3.723 1.00 0.00 C ATOM 550 O LYS A 35 -4.500 9.809 2.582 1.00 0.00 O ATOM 551 CB LYS A 35 -3.139 10.908 5.163 1.00 0.00 C ATOM 552 CG LYS A 35 -2.362 10.741 6.468 1.00 0.00 C ATOM 553 CD LYS A 35 -1.494 11.977 6.702 1.00 0.00 C ATOM 554 CE LYS A 35 -0.784 11.855 8.049 1.00 0.00 C ATOM 555 NZ LYS A 35 0.126 10.677 8.024 1.00 0.00 N ATOM 0 H LYS A 35 -2.469 8.632 3.859 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.609 9.462 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.449 11.050 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.766 11.798 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.052 10.605 7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.738 9.848 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.762 12.077 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.110 12.876 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.217 12.762 8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.516 11.746 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.821 10.759 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.429 9.807 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.622 10.641 7.111 1.00 0.00 H new ATOM 569 N GLY A 36 -6.147 10.256 3.975 1.00 0.00 N ATOM 570 CA GLY A 36 -7.094 10.514 2.855 1.00 0.00 C ATOM 571 C GLY A 36 -8.463 10.885 3.421 1.00 0.00 C ATOM 572 O GLY A 36 -8.570 11.388 4.522 1.00 0.00 O ATOM 0 H GLY A 36 -6.541 10.364 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.718 11.321 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.177 9.629 2.224 1.00 0.00 H new ATOM 576 N GLU A 37 -9.510 10.642 2.675 1.00 0.00 N ATOM 577 CA GLU A 37 -10.885 10.982 3.159 1.00 0.00 C ATOM 578 C GLU A 37 -11.820 9.801 2.898 1.00 0.00 C ATOM 579 O GLU A 37 -11.673 9.087 1.925 1.00 0.00 O ATOM 580 CB GLU A 37 -11.397 12.203 2.398 1.00 0.00 C ATOM 581 CG GLU A 37 -10.437 13.377 2.606 1.00 0.00 C ATOM 582 CD GLU A 37 -10.950 14.595 1.837 1.00 0.00 C ATOM 583 OE1 GLU A 37 -12.012 15.085 2.184 1.00 0.00 O ATOM 584 OE2 GLU A 37 -10.274 15.015 0.912 1.00 0.00 O ATOM 0 H GLU A 37 -9.473 10.221 1.747 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.855 11.197 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.482 11.973 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.395 12.470 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.356 13.611 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.438 13.110 2.261 1.00 0.00 H new ATOM 591 N LYS A 38 -12.781 9.597 3.762 1.00 0.00 N ATOM 592 CA LYS A 38 -13.738 8.468 3.580 1.00 0.00 C ATOM 593 C LYS A 38 -12.977 7.144 3.468 1.00 0.00 C ATOM 594 O LYS A 38 -13.150 6.393 2.528 1.00 0.00 O ATOM 595 CB LYS A 38 -14.573 8.699 2.317 1.00 0.00 C ATOM 596 CG LYS A 38 -15.473 9.917 2.527 1.00 0.00 C ATOM 597 CD LYS A 38 -16.293 10.182 1.263 1.00 0.00 C ATOM 598 CE LYS A 38 -17.191 11.399 1.490 1.00 0.00 C ATOM 599 NZ LYS A 38 -17.978 11.674 0.254 1.00 0.00 N ATOM 0 H LYS A 38 -12.944 10.169 4.591 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.400 8.420 4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.920 8.858 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.177 7.818 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.138 9.747 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.867 10.791 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.630 10.358 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.898 9.309 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.863 11.217 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.586 12.268 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.589 12.502 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.329 11.865 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.566 10.847 0.026 1.00 0.00 H new ATOM 613 N LEU A 39 -12.153 6.846 4.439 1.00 0.00 N ATOM 614 CA LEU A 39 -11.392 5.564 4.425 1.00 0.00 C ATOM 615 C LEU A 39 -12.232 4.511 5.151 1.00 0.00 C ATOM 616 O LEU A 39 -11.903 4.082 6.237 1.00 0.00 O ATOM 617 CB LEU A 39 -10.053 5.761 5.153 1.00 0.00 C ATOM 618 CG LEU A 39 -9.036 6.403 4.202 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.631 7.680 3.613 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.759 6.745 4.970 1.00 0.00 C ATOM 0 H LEU A 39 -11.974 7.442 5.247 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.191 5.244 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.195 6.393 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.677 4.802 5.509 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.799 5.705 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.910 8.139 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.541 7.438 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.867 8.376 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.038 7.201 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.994 7.443 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.334 5.835 5.393 1.00 0.00 H new ATOM 632 N GLY A 40 -13.331 4.112 4.558 1.00 0.00 N ATOM 633 CA GLY A 40 -14.233 3.104 5.205 1.00 0.00 C ATOM 634 C GLY A 40 -14.128 1.750 4.497 1.00 0.00 C ATOM 635 O GLY A 40 -13.529 1.628 3.445 1.00 0.00 O ATOM 0 H GLY A 40 -13.645 4.443 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.967 2.992 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.264 3.458 5.173 1.00 0.00 H new ATOM 639 N LEU A 46 -13.817 -12.033 7.987 1.00 0.00 N ATOM 640 CA LEU A 46 -12.373 -12.108 7.618 1.00 0.00 C ATOM 641 C LEU A 46 -12.064 -13.466 6.979 1.00 0.00 C ATOM 642 O LEU A 46 -11.646 -13.538 5.842 1.00 0.00 O ATOM 643 CB LEU A 46 -11.517 -11.936 8.875 1.00 0.00 C ATOM 644 CG LEU A 46 -11.893 -10.635 9.589 1.00 0.00 C ATOM 645 CD1 LEU A 46 -11.088 -10.532 10.887 1.00 0.00 C ATOM 646 CD2 LEU A 46 -11.576 -9.426 8.691 1.00 0.00 C ATOM 0 HA LEU A 46 -12.147 -11.316 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.664 -12.784 9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.461 -11.921 8.607 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.960 -10.638 9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.348 -9.608 11.404 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.319 -11.384 11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.023 -10.531 10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.848 -8.507 9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.510 -9.412 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.145 -9.502 7.764 1.00 0.00 H new ATOM 658 N LYS A 47 -12.284 -14.537 7.701 1.00 0.00 N ATOM 659 CA LYS A 47 -12.019 -15.903 7.154 1.00 0.00 C ATOM 660 C LYS A 47 -10.561 -16.016 6.686 1.00 0.00 C ATOM 661 O LYS A 47 -9.747 -16.666 7.312 1.00 0.00 O ATOM 662 CB LYS A 47 -12.978 -16.169 5.980 1.00 0.00 C ATOM 663 CG LYS A 47 -13.265 -17.672 5.854 1.00 0.00 C ATOM 664 CD LYS A 47 -11.978 -18.422 5.500 1.00 0.00 C ATOM 665 CE LYS A 47 -12.321 -19.846 5.062 1.00 0.00 C ATOM 666 NZ LYS A 47 -12.878 -20.602 6.219 1.00 0.00 N ATOM 0 H LYS A 47 -12.640 -14.522 8.657 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.185 -16.645 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.910 -15.626 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.541 -15.797 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.672 -18.053 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.019 -17.844 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.450 -17.902 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.310 -18.446 6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.045 -19.823 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.430 -20.346 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.984 -21.604 5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.232 -20.521 7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.807 -20.210 6.475 1.00 0.00 H new ATOM 680 N ALA A 48 -10.229 -15.399 5.586 1.00 0.00 N ATOM 681 CA ALA A 48 -8.833 -15.482 5.076 1.00 0.00 C ATOM 682 C ALA A 48 -7.919 -14.622 5.947 1.00 0.00 C ATOM 683 O ALA A 48 -6.716 -14.604 5.769 1.00 0.00 O ATOM 684 CB ALA A 48 -8.791 -14.968 3.636 1.00 0.00 C ATOM 0 H ALA A 48 -10.866 -14.840 5.018 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.495 -16.518 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.770 -15.027 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.444 -15.578 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.128 -13.932 3.610 1.00 0.00 H new ATOM 690 N GLY A 49 -8.474 -13.911 6.889 1.00 0.00 N ATOM 691 CA GLY A 49 -7.631 -13.055 7.768 1.00 0.00 C ATOM 692 C GLY A 49 -7.054 -11.909 6.940 1.00 0.00 C ATOM 693 O GLY A 49 -6.006 -11.374 7.240 1.00 0.00 O ATOM 0 H GLY A 49 -9.474 -13.886 7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.225 -12.662 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.826 -13.644 8.208 1.00 0.00 H new ATOM 697 N GLN A 50 -7.731 -11.542 5.884 1.00 0.00 N ATOM 698 CA GLN A 50 -7.238 -10.440 5.002 1.00 0.00 C ATOM 699 C GLN A 50 -7.834 -9.105 5.451 1.00 0.00 C ATOM 700 O GLN A 50 -8.819 -9.062 6.163 1.00 0.00 O ATOM 701 CB GLN A 50 -7.659 -10.726 3.563 1.00 0.00 C ATOM 702 CG GLN A 50 -6.900 -11.947 3.049 1.00 0.00 C ATOM 703 CD GLN A 50 -7.363 -12.278 1.631 1.00 0.00 C ATOM 704 OE1 GLN A 50 -8.162 -11.562 1.058 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.892 -13.337 1.036 1.00 0.00 N ATOM 0 H GLN A 50 -8.613 -11.962 5.591 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.151 -10.384 5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.733 -10.904 3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.451 -9.862 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.828 -11.751 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.073 -12.799 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.222 -13.937 1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.193 -13.566 0.089 1.00 0.00 H new ATOM 714 N VAL A 51 -7.235 -8.014 5.036 1.00 0.00 N ATOM 715 CA VAL A 51 -7.745 -6.660 5.424 1.00 0.00 C ATOM 716 C VAL A 51 -7.998 -5.844 4.150 1.00 0.00 C ATOM 717 O VAL A 51 -7.253 -5.924 3.191 1.00 0.00 O ATOM 718 CB VAL A 51 -6.699 -5.958 6.300 1.00 0.00 C ATOM 719 CG1 VAL A 51 -5.321 -6.087 5.647 1.00 0.00 C ATOM 720 CG2 VAL A 51 -7.055 -4.475 6.455 1.00 0.00 C ATOM 0 H VAL A 51 -6.407 -8.004 4.440 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.674 -6.753 5.986 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.684 -6.425 7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.576 -5.589 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.063 -7.141 5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.341 -5.623 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.307 -3.985 7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.076 -4.001 5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.035 -4.383 6.924 1.00 0.00 H new ATOM 730 N GLU A 52 -9.057 -5.076 4.136 1.00 0.00 N ATOM 731 CA GLU A 52 -9.404 -4.253 2.934 1.00 0.00 C ATOM 732 C GLU A 52 -9.614 -2.792 3.340 1.00 0.00 C ATOM 733 O GLU A 52 -10.050 -2.494 4.435 1.00 0.00 O ATOM 734 CB GLU A 52 -10.695 -4.798 2.318 1.00 0.00 C ATOM 735 CG GLU A 52 -10.399 -6.083 1.545 1.00 0.00 C ATOM 736 CD GLU A 52 -11.715 -6.719 1.093 1.00 0.00 C ATOM 737 OE1 GLU A 52 -12.524 -7.033 1.953 1.00 0.00 O ATOM 738 OE2 GLU A 52 -11.902 -6.859 -0.103 1.00 0.00 O ATOM 0 H GLU A 52 -9.706 -4.982 4.917 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.590 -4.306 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.427 -4.995 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.133 -4.055 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.772 -5.864 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.843 -6.779 2.174 1.00 0.00 H new ATOM 745 N VAL A 53 -9.297 -1.883 2.456 1.00 0.00 N ATOM 746 CA VAL A 53 -9.470 -0.429 2.758 1.00 0.00 C ATOM 747 C VAL A 53 -10.076 0.257 1.524 1.00 0.00 C ATOM 748 O VAL A 53 -9.650 0.011 0.413 1.00 0.00 O ATOM 749 CB VAL A 53 -8.100 0.182 3.054 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.241 1.696 3.220 1.00 0.00 C ATOM 751 CG2 VAL A 53 -7.532 -0.436 4.337 1.00 0.00 C ATOM 0 H VAL A 53 -8.922 -2.086 1.529 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.125 -0.295 3.619 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.420 -0.024 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.264 2.131 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.640 2.127 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.920 1.910 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.555 -0.001 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.207 -0.234 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.429 -1.513 4.207 1.00 0.00 H new ATOM 761 N GLU A 54 -11.050 1.125 1.701 1.00 0.00 N ATOM 762 CA GLU A 54 -11.659 1.841 0.523 1.00 0.00 C ATOM 763 C GLU A 54 -11.604 3.345 0.792 1.00 0.00 C ATOM 764 O GLU A 54 -12.040 3.811 1.826 1.00 0.00 O ATOM 765 CB GLU A 54 -13.141 1.406 0.345 1.00 0.00 C ATOM 766 CG GLU A 54 -13.395 0.814 -1.050 1.00 0.00 C ATOM 767 CD GLU A 54 -14.866 0.989 -1.433 1.00 0.00 C ATOM 768 OE1 GLU A 54 -15.279 2.124 -1.600 1.00 0.00 O ATOM 769 OE2 GLU A 54 -15.547 -0.013 -1.559 1.00 0.00 O ATOM 0 H GLU A 54 -11.450 1.369 2.607 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.107 1.595 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.398 0.669 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.794 2.265 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.758 1.307 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.132 -0.244 -1.059 1.00 0.00 H new ATOM 776 N GLY A 55 -11.091 4.099 -0.137 1.00 0.00 N ATOM 777 CA GLY A 55 -11.023 5.578 0.062 1.00 0.00 C ATOM 778 C GLY A 55 -10.008 6.183 -0.905 1.00 0.00 C ATOM 779 O GLY A 55 -9.324 5.479 -1.621 1.00 0.00 O ATOM 0 H GLY A 55 -10.716 3.760 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.005 6.022 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.739 5.803 1.090 1.00 0.00 H new ATOM 783 N LEU A 56 -9.906 7.487 -0.928 1.00 0.00 N ATOM 784 CA LEU A 56 -8.935 8.159 -1.846 1.00 0.00 C ATOM 785 C LEU A 56 -7.660 8.515 -1.070 1.00 0.00 C ATOM 786 O LEU A 56 -7.706 9.136 -0.026 1.00 0.00 O ATOM 787 CB LEU A 56 -9.561 9.436 -2.428 1.00 0.00 C ATOM 788 CG LEU A 56 -10.314 10.228 -1.328 1.00 0.00 C ATOM 789 CD1 LEU A 56 -10.220 11.732 -1.616 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.800 9.833 -1.305 1.00 0.00 C ATOM 0 H LEU A 56 -10.456 8.120 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.686 7.482 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.783 10.062 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.250 9.176 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.857 9.996 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.750 12.285 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.173 12.036 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.669 11.946 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.315 10.398 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.250 10.054 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.890 8.767 -1.099 1.00 0.00 H new ATOM 802 N ILE A 57 -6.521 8.124 -1.579 1.00 0.00 N ATOM 803 CA ILE A 57 -5.234 8.430 -0.884 1.00 0.00 C ATOM 804 C ILE A 57 -4.848 9.892 -1.129 1.00 0.00 C ATOM 805 O ILE A 57 -4.887 10.374 -2.245 1.00 0.00 O ATOM 806 CB ILE A 57 -4.133 7.499 -1.425 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.302 6.106 -0.812 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.737 8.041 -1.071 1.00 0.00 C ATOM 809 CD1 ILE A 57 -5.688 5.552 -1.159 1.00 0.00 C ATOM 0 H ILE A 57 -6.426 7.603 -2.451 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.350 8.271 0.188 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.224 7.447 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.528 5.437 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.181 6.157 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.975 7.367 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.608 9.030 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.637 8.110 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.804 4.561 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.455 6.216 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.792 5.484 -2.242 1.00 0.00 H new ATOM 821 N ASP A 58 -4.466 10.589 -0.089 1.00 0.00 N ATOM 822 CA ASP A 58 -4.044 12.019 -0.227 1.00 0.00 C ATOM 823 C ASP A 58 -2.548 12.117 0.081 1.00 0.00 C ATOM 824 O ASP A 58 -1.865 13.004 -0.392 1.00 0.00 O ATOM 825 CB ASP A 58 -4.830 12.892 0.754 1.00 0.00 C ATOM 826 CG ASP A 58 -4.530 14.368 0.479 1.00 0.00 C ATOM 827 OD1 ASP A 58 -5.139 14.916 -0.426 1.00 0.00 O ATOM 828 OD2 ASP A 58 -3.704 14.928 1.182 1.00 0.00 O ATOM 0 H ASP A 58 -4.428 10.224 0.863 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.242 12.367 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.898 12.702 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.559 12.640 1.779 1.00 0.00 H new ATOM 833 N ALA A 59 -2.034 11.206 0.868 1.00 0.00 N ATOM 834 CA ALA A 59 -0.579 11.246 1.202 1.00 0.00 C ATOM 835 C ALA A 59 -0.153 9.925 1.852 1.00 0.00 C ATOM 836 O ALA A 59 -0.946 9.239 2.464 1.00 0.00 O ATOM 837 CB ALA A 59 -0.314 12.397 2.172 1.00 0.00 C ATOM 0 H ALA A 59 -2.557 10.440 1.292 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.006 11.395 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.747 12.429 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.607 13.339 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.893 12.246 3.083 1.00 0.00 H new ATOM 843 N LEU A 60 1.108 9.579 1.731 1.00 0.00 N ATOM 844 CA LEU A 60 1.624 8.311 2.344 1.00 0.00 C ATOM 845 C LEU A 60 2.900 8.628 3.127 1.00 0.00 C ATOM 846 O LEU A 60 3.804 9.265 2.624 1.00 0.00 O ATOM 847 CB LEU A 60 1.934 7.286 1.224 1.00 0.00 C ATOM 848 CG LEU A 60 0.904 6.140 1.215 1.00 0.00 C ATOM 849 CD1 LEU A 60 1.024 5.303 2.508 1.00 0.00 C ATOM 850 CD2 LEU A 60 -0.521 6.712 1.079 1.00 0.00 C ATOM 0 H LEU A 60 1.808 10.126 1.229 1.00 0.00 H new ATOM 0 HA LEU A 60 0.877 7.888 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.931 7.789 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.934 6.878 1.368 1.00 0.00 H new ATOM 0 HG LEU A 60 1.106 5.492 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.291 4.497 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.026 4.880 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.840 5.941 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.242 5.895 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.729 7.374 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.601 7.272 0.148 1.00 0.00 H new ATOM 862 N VAL A 61 2.974 8.180 4.354 1.00 0.00 N ATOM 863 CA VAL A 61 4.190 8.435 5.185 1.00 0.00 C ATOM 864 C VAL A 61 4.610 7.146 5.899 1.00 0.00 C ATOM 865 O VAL A 61 3.818 6.483 6.540 1.00 0.00 O ATOM 866 CB VAL A 61 3.881 9.526 6.212 1.00 0.00 C ATOM 867 CG1 VAL A 61 5.020 9.623 7.234 1.00 0.00 C ATOM 868 CG2 VAL A 61 3.733 10.867 5.488 1.00 0.00 C ATOM 0 H VAL A 61 2.240 7.645 4.819 1.00 0.00 H new ATOM 0 HA VAL A 61 5.008 8.764 4.544 1.00 0.00 H new ATOM 0 HB VAL A 61 2.956 9.280 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.791 10.402 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.130 8.668 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.950 9.868 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.513 11.650 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.661 11.105 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.919 10.803 4.765 1.00 0.00 H new ATOM 878 N TYR A 62 5.864 6.819 5.807 1.00 0.00 N ATOM 879 CA TYR A 62 6.405 5.606 6.485 1.00 0.00 C ATOM 880 C TYR A 62 7.819 5.981 6.929 1.00 0.00 C ATOM 881 O TYR A 62 8.478 6.704 6.222 1.00 0.00 O ATOM 882 CB TYR A 62 6.451 4.447 5.482 1.00 0.00 C ATOM 883 CG TYR A 62 7.220 3.282 6.062 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.620 3.291 6.055 1.00 0.00 C ATOM 885 CD2 TYR A 62 6.533 2.189 6.605 1.00 0.00 C ATOM 886 CE1 TYR A 62 9.331 2.208 6.590 1.00 0.00 C ATOM 887 CE2 TYR A 62 7.241 1.108 7.138 1.00 0.00 C ATOM 888 CZ TYR A 62 8.640 1.118 7.132 1.00 0.00 C ATOM 889 OH TYR A 62 9.338 0.050 7.660 1.00 0.00 O ATOM 0 H TYR A 62 6.555 7.352 5.279 1.00 0.00 H new ATOM 0 HA TYR A 62 5.793 5.293 7.331 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.438 4.134 5.231 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.921 4.777 4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.152 4.133 5.637 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.453 2.181 6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.411 2.215 6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.708 0.266 7.554 1.00 0.00 H new ATOM 0 HH TYR A 62 10.195 0.364 8.017 1.00 0.00 H new ATOM 899 N PRO A 63 8.299 5.536 8.073 1.00 0.00 N ATOM 900 CA PRO A 63 9.672 5.916 8.529 1.00 0.00 C ATOM 901 C PRO A 63 10.721 5.703 7.428 1.00 0.00 C ATOM 902 O PRO A 63 11.482 4.755 7.440 1.00 0.00 O ATOM 903 CB PRO A 63 9.941 5.000 9.725 1.00 0.00 C ATOM 904 CG PRO A 63 8.589 4.622 10.246 1.00 0.00 C ATOM 905 CD PRO A 63 7.621 4.664 9.051 1.00 0.00 C ATOM 0 HA PRO A 63 9.735 6.974 8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.508 4.118 9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.528 5.512 10.488 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.611 3.627 10.690 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.269 5.312 11.026 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.446 3.668 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.649 5.066 9.338 1.00 0.00 H new ATOM 913 N LEU A 64 10.754 6.583 6.476 1.00 0.00 N ATOM 914 CA LEU A 64 11.722 6.465 5.359 1.00 0.00 C ATOM 915 C LEU A 64 12.977 7.255 5.704 1.00 0.00 C ATOM 916 O LEU A 64 13.775 7.555 4.840 1.00 0.00 O ATOM 917 CB LEU A 64 11.069 7.016 4.084 1.00 0.00 C ATOM 918 CG LEU A 64 11.084 8.558 4.050 1.00 0.00 C ATOM 919 CD1 LEU A 64 10.274 9.039 2.846 1.00 0.00 C ATOM 920 CD2 LEU A 64 10.456 9.130 5.326 1.00 0.00 C ATOM 0 H LEU A 64 10.139 7.395 6.423 1.00 0.00 H new ATOM 0 HA LEU A 64 11.998 5.423 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.594 6.629 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.040 6.662 4.021 1.00 0.00 H new ATOM 0 HG LEU A 64 12.117 8.898 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.280 10.129 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.717 8.648 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.247 8.684 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.475 10.219 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.424 8.788 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.021 8.790 6.194 1.00 0.00 H new ATOM 932 N GLU A 65 13.117 7.605 6.966 1.00 0.00 N ATOM 933 CA GLU A 65 14.287 8.417 7.462 1.00 0.00 C ATOM 934 C GLU A 65 15.366 8.596 6.385 1.00 0.00 C ATOM 935 O GLU A 65 15.946 7.641 5.904 1.00 0.00 O ATOM 936 CB GLU A 65 14.897 7.722 8.671 1.00 0.00 C ATOM 937 CG GLU A 65 13.862 7.673 9.794 1.00 0.00 C ATOM 938 CD GLU A 65 14.489 7.046 11.039 1.00 0.00 C ATOM 939 OE1 GLU A 65 15.682 6.788 11.011 1.00 0.00 O ATOM 940 OE2 GLU A 65 13.769 6.835 12.000 1.00 0.00 O ATOM 0 H GLU A 65 12.449 7.354 7.695 1.00 0.00 H new ATOM 0 HA GLU A 65 13.917 9.407 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.212 6.713 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.787 8.257 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.507 8.679 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.995 7.092 9.479 1.00 0.00 H new ATOM 947 N HIS A 66 15.614 9.816 5.993 1.00 0.00 N ATOM 948 CA HIS A 66 16.629 10.074 4.933 1.00 0.00 C ATOM 949 C HIS A 66 18.042 9.866 5.490 1.00 0.00 C ATOM 950 O HIS A 66 18.721 8.920 5.143 1.00 0.00 O ATOM 951 CB HIS A 66 16.479 11.522 4.437 1.00 0.00 C ATOM 952 CG HIS A 66 15.385 11.601 3.401 1.00 0.00 C ATOM 953 ND1 HIS A 66 15.592 11.237 2.079 1.00 0.00 N ATOM 954 CD2 HIS A 66 14.074 12.000 3.482 1.00 0.00 C ATOM 955 CE1 HIS A 66 14.433 11.424 1.421 1.00 0.00 C ATOM 956 NE2 HIS A 66 13.479 11.887 2.230 1.00 0.00 N ATOM 0 H HIS A 66 15.155 10.648 6.363 1.00 0.00 H new ATOM 0 HA HIS A 66 16.472 9.380 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 66 16.247 12.180 5.274 1.00 0.00 H new ATOM 0 HB3 HIS A 66 17.420 11.869 4.011 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.581 12.347 4.378 1.00 0.00 H new ATOM 0 HE1 HIS A 66 14.293 11.224 0.369 1.00 0.00 H new ATOM 0 HE2 HIS A 66 12.515 12.111 1.982 1.00 0.00 H new ATOM 964 N HIS A 67 18.490 10.751 6.338 1.00 0.00 N ATOM 965 CA HIS A 67 19.862 10.622 6.906 1.00 0.00 C ATOM 966 C HIS A 67 19.908 9.466 7.909 1.00 0.00 C ATOM 967 O HIS A 67 20.091 8.320 7.546 1.00 0.00 O ATOM 968 CB HIS A 67 20.244 11.938 7.608 1.00 0.00 C ATOM 969 CG HIS A 67 20.917 12.873 6.636 1.00 0.00 C ATOM 970 ND1 HIS A 67 21.857 12.430 5.717 1.00 0.00 N ATOM 971 CD2 HIS A 67 20.813 14.228 6.444 1.00 0.00 C ATOM 972 CE1 HIS A 67 22.281 13.502 5.022 1.00 0.00 C ATOM 973 NE2 HIS A 67 21.674 14.620 5.427 1.00 0.00 N ATOM 0 H HIS A 67 17.963 11.561 6.663 1.00 0.00 H new ATOM 0 HA HIS A 67 20.569 10.417 6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 67 19.352 12.411 8.020 1.00 0.00 H new ATOM 0 HB3 HIS A 67 20.911 11.731 8.445 1.00 0.00 H new ATOM 0 HD2 HIS A 67 20.162 14.888 6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 67 23.020 13.463 4.235 1.00 0.00 H new ATOM 0 HE2 HIS A 67 21.813 15.564 5.066 1.00 0.00 H new ATOM 981 N HIS A 68 19.761 9.765 9.168 1.00 0.00 N ATOM 982 CA HIS A 68 19.815 8.699 10.199 1.00 0.00 C ATOM 983 C HIS A 68 19.294 9.253 11.525 1.00 0.00 C ATOM 984 O HIS A 68 18.778 10.352 11.589 1.00 0.00 O ATOM 985 CB HIS A 68 21.266 8.247 10.368 1.00 0.00 C ATOM 986 CG HIS A 68 21.313 6.998 11.201 1.00 0.00 C ATOM 987 ND1 HIS A 68 20.903 5.768 10.711 1.00 0.00 N ATOM 988 CD2 HIS A 68 21.712 6.774 12.495 1.00 0.00 C ATOM 989 CE1 HIS A 68 21.062 4.866 11.695 1.00 0.00 C ATOM 990 NE2 HIS A 68 21.550 5.427 12.801 1.00 0.00 N ATOM 0 H HIS A 68 19.605 10.707 9.527 1.00 0.00 H new ATOM 0 HA HIS A 68 19.199 7.853 9.894 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.715 8.062 9.392 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.850 9.035 10.844 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.092 7.526 13.170 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.824 3.817 11.601 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.760 4.965 13.686 1.00 0.00 H new ATOM 998 N HIS A 69 19.420 8.496 12.578 1.00 0.00 N ATOM 999 CA HIS A 69 18.931 8.967 13.901 1.00 0.00 C ATOM 1000 C HIS A 69 19.772 10.161 14.361 1.00 0.00 C ATOM 1001 O HIS A 69 19.258 11.129 14.889 1.00 0.00 O ATOM 1002 CB HIS A 69 19.077 7.832 14.920 1.00 0.00 C ATOM 1003 CG HIS A 69 18.484 6.571 14.355 1.00 0.00 C ATOM 1004 ND1 HIS A 69 18.692 6.184 13.037 1.00 0.00 N ATOM 1005 CD2 HIS A 69 17.712 5.585 14.917 1.00 0.00 C ATOM 1006 CE1 HIS A 69 18.057 5.011 12.853 1.00 0.00 C ATOM 1007 NE2 HIS A 69 17.448 4.605 13.968 1.00 0.00 N ATOM 0 H HIS A 69 19.842 7.568 12.578 1.00 0.00 H new ATOM 0 HA HIS A 69 17.886 9.265 13.820 1.00 0.00 H new ATOM 0 HB2 HIS A 69 20.129 7.676 15.159 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.575 8.097 15.850 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.364 5.573 15.939 1.00 0.00 H new ATOM 0 HE1 HIS A 69 18.043 4.467 11.920 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.902 3.753 14.097 1.00 0.00 H new ATOM 1015 N HIS A 70 21.064 10.095 14.165 1.00 0.00 N ATOM 1016 CA HIS A 70 21.950 11.215 14.591 1.00 0.00 C ATOM 1017 C HIS A 70 21.954 12.302 13.516 1.00 0.00 C ATOM 1018 O HIS A 70 21.513 13.414 13.740 1.00 0.00 O ATOM 1019 CB HIS A 70 23.371 10.685 14.789 1.00 0.00 C ATOM 1020 CG HIS A 70 24.230 11.748 15.414 1.00 0.00 C ATOM 1021 ND1 HIS A 70 23.925 12.324 16.639 1.00 0.00 N ATOM 1022 CD2 HIS A 70 25.399 12.340 15.003 1.00 0.00 C ATOM 1023 CE1 HIS A 70 24.892 13.218 16.921 1.00 0.00 C ATOM 1024 NE2 HIS A 70 25.812 13.263 15.955 1.00 0.00 N ATOM 0 H HIS A 70 21.544 9.309 13.726 1.00 0.00 H new ATOM 0 HA HIS A 70 21.583 11.636 15.527 1.00 0.00 H new ATOM 0 HB2 HIS A 70 23.353 9.799 15.424 1.00 0.00 H new ATOM 0 HB3 HIS A 70 23.792 10.381 13.831 1.00 0.00 H new ATOM 0 HD2 HIS A 70 25.917 12.121 14.081 1.00 0.00 H new ATOM 0 HE1 HIS A 70 24.920 13.822 17.816 1.00 0.00 H new ATOM 0 HE2 HIS A 70 26.644 13.852 15.923 1.00 0.00 H new ATOM 1032 N HIS A 71 22.446 11.988 12.349 1.00 0.00 N ATOM 1033 CA HIS A 71 22.476 12.996 11.254 1.00 0.00 C ATOM 1034 C HIS A 71 22.933 12.311 9.962 1.00 0.00 C ATOM 1035 O HIS A 71 23.369 13.011 9.062 1.00 0.00 O ATOM 1036 CB HIS A 71 23.447 14.133 11.625 1.00 0.00 C ATOM 1037 CG HIS A 71 23.022 15.413 10.952 1.00 0.00 C ATOM 1038 ND1 HIS A 71 23.558 15.831 9.740 1.00 0.00 N ATOM 1039 CD2 HIS A 71 22.106 16.371 11.307 1.00 0.00 C ATOM 1040 CE1 HIS A 71 22.963 16.995 9.416 1.00 0.00 C ATOM 1041 NE2 HIS A 71 22.073 17.365 10.337 1.00 0.00 N ATOM 1042 OXT HIS A 71 22.833 11.097 9.894 1.00 0.00 O ATOM 0 H HIS A 71 22.829 11.074 12.107 1.00 0.00 H new ATOM 0 HA HIS A 71 21.482 13.419 11.108 1.00 0.00 H new ATOM 0 HB2 HIS A 71 23.464 14.269 12.706 1.00 0.00 H new ATOM 0 HB3 HIS A 71 24.460 13.871 11.320 1.00 0.00 H new ATOM 0 HD2 HIS A 71 21.503 16.355 12.203 1.00 0.00 H new ATOM 0 HE1 HIS A 71 23.180 17.559 8.521 1.00 0.00 H new ATOM 0 HE2 HIS A 71 21.490 18.202 10.331 1.00 0.00 H new TER 1050 HIS A 71 ATOM 1051 N MET B 1 11.166 -16.439 7.448 1.00 0.00 N ATOM 1052 CA MET B 1 10.006 -17.179 8.019 1.00 0.00 C ATOM 1053 C MET B 1 8.702 -16.575 7.482 1.00 0.00 C ATOM 1054 O MET B 1 8.504 -16.472 6.288 1.00 0.00 O ATOM 1055 CB MET B 1 10.031 -17.073 9.547 1.00 0.00 C ATOM 1056 CG MET B 1 11.251 -17.812 10.098 1.00 0.00 C ATOM 1057 SD MET B 1 11.345 -17.557 11.888 1.00 0.00 S ATOM 1058 CE MET B 1 9.826 -18.438 12.330 1.00 0.00 C ATOM 0 H1 MET B 1 12.015 -17.038 7.491 1.00 0.00 H new ATOM 0 H2 MET B 1 10.967 -16.192 6.458 1.00 0.00 H new ATOM 0 H3 MET B 1 11.327 -15.570 7.996 1.00 0.00 H new ATOM 0 HA MET B 1 10.066 -18.228 7.730 1.00 0.00 H new ATOM 0 HB2 MET B 1 10.063 -16.026 9.847 1.00 0.00 H new ATOM 0 HB3 MET B 1 9.118 -17.497 9.965 1.00 0.00 H new ATOM 0 HG2 MET B 1 11.178 -18.876 9.874 1.00 0.00 H new ATOM 0 HG3 MET B 1 12.159 -17.447 9.619 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.904 -18.808 13.352 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.976 -17.759 12.254 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.682 -19.278 11.650 1.00 0.00 H new ATOM 1070 N ASP B 2 7.811 -16.188 8.358 1.00 0.00 N ATOM 1071 CA ASP B 2 6.512 -15.601 7.914 1.00 0.00 C ATOM 1072 C ASP B 2 6.652 -14.075 7.793 1.00 0.00 C ATOM 1073 O ASP B 2 6.880 -13.380 8.762 1.00 0.00 O ATOM 1074 CB ASP B 2 5.421 -15.966 8.949 1.00 0.00 C ATOM 1075 CG ASP B 2 4.474 -17.031 8.377 1.00 0.00 C ATOM 1076 OD1 ASP B 2 3.859 -16.761 7.361 1.00 0.00 O ATOM 1077 OD2 ASP B 2 4.382 -18.095 8.970 1.00 0.00 O ATOM 0 H ASP B 2 7.929 -16.254 9.369 1.00 0.00 H new ATOM 0 HA ASP B 2 6.231 -16.000 6.940 1.00 0.00 H new ATOM 0 HB2 ASP B 2 5.887 -16.337 9.862 1.00 0.00 H new ATOM 0 HB3 ASP B 2 4.855 -15.075 9.220 1.00 0.00 H new ATOM 1082 N ASN B 3 6.501 -13.566 6.605 1.00 0.00 N ATOM 1083 CA ASN B 3 6.604 -12.093 6.385 1.00 0.00 C ATOM 1084 C ASN B 3 6.060 -11.753 4.995 1.00 0.00 C ATOM 1085 O ASN B 3 5.542 -10.680 4.762 1.00 0.00 O ATOM 1086 CB ASN B 3 8.071 -11.664 6.467 1.00 0.00 C ATOM 1087 CG ASN B 3 8.923 -12.585 5.590 1.00 0.00 C ATOM 1088 OD1 ASN B 3 8.724 -13.784 5.577 1.00 0.00 O ATOM 1089 ND2 ASN B 3 9.866 -12.073 4.849 1.00 0.00 N ATOM 0 H ASN B 3 6.308 -14.112 5.765 1.00 0.00 H new ATOM 0 HA ASN B 3 6.027 -11.570 7.148 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.177 -10.630 6.138 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.416 -11.707 7.500 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.436 -12.679 4.259 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.033 -11.067 4.860 1.00 0.00 H new ATOM 1096 N ARG B 4 6.186 -12.665 4.070 1.00 0.00 N ATOM 1097 CA ARG B 4 5.698 -12.419 2.685 1.00 0.00 C ATOM 1098 C ARG B 4 4.262 -11.895 2.721 1.00 0.00 C ATOM 1099 O ARG B 4 3.459 -12.298 3.539 1.00 0.00 O ATOM 1100 CB ARG B 4 5.731 -13.733 1.901 1.00 0.00 C ATOM 1101 CG ARG B 4 7.147 -14.329 1.909 1.00 0.00 C ATOM 1102 CD ARG B 4 8.056 -13.584 0.925 1.00 0.00 C ATOM 1103 NE ARG B 4 7.455 -13.617 -0.442 1.00 0.00 N ATOM 1104 CZ ARG B 4 8.216 -13.661 -1.508 1.00 0.00 C ATOM 1105 NH1 ARG B 4 9.515 -13.677 -1.403 1.00 0.00 N ATOM 1106 NH2 ARG B 4 7.665 -13.687 -2.691 1.00 0.00 N ATOM 0 H ARG B 4 6.611 -13.580 4.218 1.00 0.00 H new ATOM 0 HA ARG B 4 6.339 -11.679 2.205 1.00 0.00 H new ATOM 0 HB2 ARG B 4 5.029 -14.442 2.339 1.00 0.00 H new ATOM 0 HB3 ARG B 4 5.409 -13.559 0.874 1.00 0.00 H new ATOM 0 HG2 ARG B 4 7.566 -14.270 2.914 1.00 0.00 H new ATOM 0 HG3 ARG B 4 7.104 -15.385 1.643 1.00 0.00 H new ATOM 0 HD2 ARG B 4 8.190 -12.552 1.249 1.00 0.00 H new ATOM 0 HD3 ARG B 4 9.044 -14.043 0.909 1.00 0.00 H new ATOM 0 HE ARG B 4 6.440 -13.605 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG B 4 9.953 -13.655 -0.482 1.00 0.00 H new ATOM 0 HH12 ARG B 4 10.094 -13.711 -2.242 1.00 0.00 H new ATOM 0 HH21 ARG B 4 6.649 -13.673 -2.781 1.00 0.00 H new ATOM 0 HH22 ARG B 4 8.250 -13.721 -3.526 1.00 0.00 H new ATOM 1120 N GLN B 5 3.945 -10.997 1.827 1.00 0.00 N ATOM 1121 CA GLN B 5 2.569 -10.428 1.776 1.00 0.00 C ATOM 1122 C GLN B 5 2.228 -10.045 0.333 1.00 0.00 C ATOM 1123 O GLN B 5 3.102 -9.911 -0.514 1.00 0.00 O ATOM 1124 CB GLN B 5 2.493 -9.190 2.676 1.00 0.00 C ATOM 1125 CG GLN B 5 3.597 -8.199 2.292 1.00 0.00 C ATOM 1126 CD GLN B 5 3.756 -7.161 3.402 1.00 0.00 C ATOM 1127 OE1 GLN B 5 4.859 -6.750 3.710 1.00 0.00 O ATOM 1128 NE2 GLN B 5 2.699 -6.717 4.021 1.00 0.00 N ATOM 0 H GLN B 5 4.587 -10.631 1.124 1.00 0.00 H new ATOM 0 HA GLN B 5 1.853 -11.171 2.128 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.516 -8.717 2.577 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.601 -9.482 3.721 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.537 -8.728 2.136 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.348 -7.707 1.352 1.00 0.00 H new ATOM 0 HE21 GLN B 5 1.774 -7.062 3.763 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.796 -6.025 4.764 1.00 0.00 H new ATOM 1137 N PHE B 6 0.959 -9.877 0.059 1.00 0.00 N ATOM 1138 CA PHE B 6 0.506 -9.508 -1.317 1.00 0.00 C ATOM 1139 C PHE B 6 -0.191 -8.155 -1.260 1.00 0.00 C ATOM 1140 O PHE B 6 -0.918 -7.864 -0.331 1.00 0.00 O ATOM 1141 CB PHE B 6 -0.497 -10.557 -1.813 1.00 0.00 C ATOM 1142 CG PHE B 6 0.028 -11.942 -1.512 1.00 0.00 C ATOM 1143 CD1 PHE B 6 1.322 -12.291 -1.894 1.00 0.00 C ATOM 1144 CD2 PHE B 6 -0.785 -12.877 -0.857 1.00 0.00 C ATOM 1145 CE1 PHE B 6 1.815 -13.565 -1.625 1.00 0.00 C ATOM 1146 CE2 PHE B 6 -0.293 -14.158 -0.583 1.00 0.00 C ATOM 1147 CZ PHE B 6 1.009 -14.504 -0.967 1.00 0.00 C ATOM 0 H PHE B 6 0.207 -9.981 0.740 1.00 0.00 H new ATOM 0 HA PHE B 6 1.363 -9.463 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.462 -10.410 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -0.658 -10.443 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE B 6 1.945 -11.570 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -1.789 -12.609 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE B 6 2.819 -13.830 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -0.917 -14.879 -0.076 1.00 0.00 H new ATOM 0 HZ PHE B 6 1.391 -15.492 -0.756 1.00 0.00 H new ATOM 1157 N LEU B 7 0.011 -7.336 -2.254 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.652 -6.000 -2.279 1.00 0.00 C ATOM 1159 C LEU B 7 -1.296 -5.813 -3.649 1.00 0.00 C ATOM 1160 O LEU B 7 -0.630 -5.838 -4.665 1.00 0.00 O ATOM 1161 CB LEU B 7 0.396 -4.908 -2.039 1.00 0.00 C ATOM 1162 CG LEU B 7 -0.292 -3.574 -1.712 1.00 0.00 C ATOM 1163 CD1 LEU B 7 0.756 -2.594 -1.179 1.00 0.00 C ATOM 1164 CD2 LEU B 7 -0.971 -2.991 -2.969 1.00 0.00 C ATOM 0 H LEU B 7 0.610 -7.535 -3.055 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.411 -5.935 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.052 -5.198 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.023 -4.795 -2.924 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.061 -3.740 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.278 -1.643 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.212 -3.004 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.525 -2.436 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.453 -2.046 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.221 -2.821 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.719 -3.693 -3.337 1.00 0.00 H new ATOM 1176 N SER B 8 -2.588 -5.626 -3.677 1.00 0.00 N ATOM 1177 CA SER B 8 -3.306 -5.436 -4.975 1.00 0.00 C ATOM 1178 C SER B 8 -3.792 -3.997 -5.060 1.00 0.00 C ATOM 1179 O SER B 8 -4.146 -3.393 -4.068 1.00 0.00 O ATOM 1180 CB SER B 8 -4.504 -6.386 -5.039 1.00 0.00 C ATOM 1181 OG SER B 8 -4.100 -7.684 -4.618 1.00 0.00 O ATOM 0 H SER B 8 -3.184 -5.596 -2.850 1.00 0.00 H new ATOM 0 HA SER B 8 -2.634 -5.650 -5.806 1.00 0.00 H new ATOM 0 HB2 SER B 8 -5.308 -6.019 -4.401 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.896 -6.427 -6.055 1.00 0.00 H new ATOM 0 HG SER B 8 -4.192 -8.313 -5.364 1.00 0.00 H new ATOM 1187 N LEU B 9 -3.812 -3.437 -6.238 1.00 0.00 N ATOM 1188 CA LEU B 9 -4.278 -2.029 -6.380 1.00 0.00 C ATOM 1189 C LEU B 9 -4.979 -1.862 -7.730 1.00 0.00 C ATOM 1190 O LEU B 9 -4.544 -2.385 -8.744 1.00 0.00 O ATOM 1191 CB LEU B 9 -3.072 -1.078 -6.294 1.00 0.00 C ATOM 1192 CG LEU B 9 -3.545 0.346 -5.924 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -3.657 0.480 -4.394 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -2.544 1.382 -6.453 1.00 0.00 C ATOM 0 H LEU B 9 -3.527 -3.892 -7.105 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.978 -1.790 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -2.365 -1.441 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.545 -1.058 -7.248 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.521 0.522 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.991 1.486 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.376 -0.247 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -2.683 0.296 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.883 2.384 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -1.565 1.202 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.472 1.298 -7.537 1.00 0.00 H new ATOM 1206 N THR B 10 -6.063 -1.138 -7.742 1.00 0.00 N ATOM 1207 CA THR B 10 -6.825 -0.904 -9.010 1.00 0.00 C ATOM 1208 C THR B 10 -7.166 0.586 -9.087 1.00 0.00 C ATOM 1209 O THR B 10 -7.999 1.083 -8.355 1.00 0.00 O ATOM 1210 CB THR B 10 -8.119 -1.760 -9.027 1.00 0.00 C ATOM 1211 OG1 THR B 10 -9.253 -0.923 -9.222 1.00 0.00 O ATOM 1212 CG2 THR B 10 -8.278 -2.513 -7.703 1.00 0.00 C ATOM 0 H THR B 10 -6.462 -0.690 -6.917 1.00 0.00 H new ATOM 0 HA THR B 10 -6.224 -1.195 -9.871 1.00 0.00 H new ATOM 0 HB THR B 10 -8.045 -2.477 -9.844 1.00 0.00 H new ATOM 0 HG1 THR B 10 -9.195 -0.149 -8.624 1.00 0.00 H new ATOM 0 HG21 THR B 10 -9.190 -3.109 -7.731 1.00 0.00 H new ATOM 0 HG22 THR B 10 -7.421 -3.169 -7.552 1.00 0.00 H new ATOM 0 HG23 THR B 10 -8.336 -1.798 -6.882 1.00 0.00 H new ATOM 1220 N GLY B 11 -6.511 1.303 -9.959 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.775 2.769 -10.086 1.00 0.00 C ATOM 1222 C GLY B 11 -5.473 3.487 -10.456 1.00 0.00 C ATOM 1223 O GLY B 11 -5.457 4.676 -10.708 1.00 0.00 O ATOM 0 H GLY B 11 -5.801 0.937 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -7.533 2.949 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -7.167 3.162 -9.148 1.00 0.00 H new ATOM 1227 N VAL B 12 -4.379 2.770 -10.480 1.00 0.00 N ATOM 1228 CA VAL B 12 -3.069 3.397 -10.822 1.00 0.00 C ATOM 1229 C VAL B 12 -3.097 3.920 -12.257 1.00 0.00 C ATOM 1230 O VAL B 12 -3.665 3.308 -13.145 1.00 0.00 O ATOM 1231 CB VAL B 12 -1.953 2.356 -10.676 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -2.083 1.293 -11.773 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -0.591 3.047 -10.793 1.00 0.00 C ATOM 0 H VAL B 12 -4.338 1.771 -10.276 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.884 4.231 -10.145 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.037 1.876 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -1.287 0.557 -11.663 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.050 0.797 -11.686 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.005 1.768 -12.751 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.203 2.307 -10.689 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.511 3.531 -11.766 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.494 3.796 -10.007 1.00 0.00 H new ATOM 1243 N SER B 13 -2.483 5.048 -12.487 1.00 0.00 N ATOM 1244 CA SER B 13 -2.456 5.620 -13.860 1.00 0.00 C ATOM 1245 C SER B 13 -1.513 4.799 -14.740 1.00 0.00 C ATOM 1246 O SER B 13 -1.882 4.364 -15.815 1.00 0.00 O ATOM 1247 CB SER B 13 -1.960 7.065 -13.800 1.00 0.00 C ATOM 1248 OG SER B 13 -1.518 7.460 -15.091 1.00 0.00 O ATOM 0 H SER B 13 -1.997 5.599 -11.779 1.00 0.00 H new ATOM 0 HA SER B 13 -3.461 5.594 -14.281 1.00 0.00 H new ATOM 0 HB2 SER B 13 -2.759 7.723 -13.459 1.00 0.00 H new ATOM 0 HB3 SER B 13 -1.146 7.153 -13.081 1.00 0.00 H new ATOM 0 HG SER B 13 -0.808 8.129 -15.003 1.00 0.00 H new ATOM 1254 N LYS B 14 -0.299 4.575 -14.299 1.00 0.00 N ATOM 1255 CA LYS B 14 0.648 3.769 -15.132 1.00 0.00 C ATOM 1256 C LYS B 14 1.918 3.450 -14.335 1.00 0.00 C ATOM 1257 O LYS B 14 2.230 4.098 -13.356 1.00 0.00 O ATOM 1258 CB LYS B 14 1.012 4.545 -16.408 1.00 0.00 C ATOM 1259 CG LYS B 14 1.633 5.922 -16.055 1.00 0.00 C ATOM 1260 CD LYS B 14 3.161 5.875 -16.192 1.00 0.00 C ATOM 1261 CE LYS B 14 3.748 7.237 -15.822 1.00 0.00 C ATOM 1262 NZ LYS B 14 3.203 8.280 -16.739 1.00 0.00 N ATOM 0 H LYS B 14 0.074 4.910 -13.411 1.00 0.00 H new ATOM 0 HA LYS B 14 0.163 2.833 -15.408 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.717 3.965 -17.004 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.121 4.688 -17.019 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.227 6.690 -16.713 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.362 6.199 -15.036 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.571 5.102 -15.543 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.437 5.613 -17.213 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.502 7.482 -14.789 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.835 7.208 -15.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.970 8.918 -17.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.791 7.824 -17.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.468 8.826 -16.246 1.00 0.00 H new ATOM 1276 N VAL B 15 2.647 2.451 -14.757 1.00 0.00 N ATOM 1277 CA VAL B 15 3.897 2.067 -14.039 1.00 0.00 C ATOM 1278 C VAL B 15 5.044 2.981 -14.467 1.00 0.00 C ATOM 1279 O VAL B 15 5.256 3.221 -15.640 1.00 0.00 O ATOM 1280 CB VAL B 15 4.260 0.623 -14.383 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.424 0.137 -13.485 1.00 0.00 C ATOM 1282 CG2 VAL B 15 3.025 -0.265 -14.179 1.00 0.00 C ATOM 0 H VAL B 15 2.428 1.881 -15.574 1.00 0.00 H new ATOM 0 HA VAL B 15 3.733 2.164 -12.966 1.00 0.00 H new ATOM 0 HB VAL B 15 4.582 0.565 -15.423 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.674 -0.893 -13.739 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.296 0.772 -13.644 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.123 0.190 -12.439 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.275 -1.298 -14.422 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.702 -0.205 -13.140 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.220 0.076 -14.830 1.00 0.00 H new ATOM 1292 N GLN B 16 5.791 3.489 -13.522 1.00 0.00 N ATOM 1293 CA GLN B 16 6.934 4.387 -13.863 1.00 0.00 C ATOM 1294 C GLN B 16 8.205 3.560 -14.090 1.00 0.00 C ATOM 1295 O GLN B 16 9.120 3.990 -14.765 1.00 0.00 O ATOM 1296 CB GLN B 16 7.160 5.371 -12.713 1.00 0.00 C ATOM 1297 CG GLN B 16 8.334 6.293 -13.047 1.00 0.00 C ATOM 1298 CD GLN B 16 8.441 7.377 -11.976 1.00 0.00 C ATOM 1299 OE1 GLN B 16 8.639 7.083 -10.814 1.00 0.00 O ATOM 1300 NE2 GLN B 16 8.318 8.630 -12.319 1.00 0.00 N ATOM 0 H GLN B 16 5.658 3.320 -12.525 1.00 0.00 H new ATOM 0 HA GLN B 16 6.702 4.934 -14.777 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.259 5.960 -12.543 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.363 4.827 -11.791 1.00 0.00 H new ATOM 0 HG2 GLN B 16 9.260 5.720 -13.095 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.188 6.747 -14.027 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.152 8.878 -13.294 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.388 9.362 -11.612 1.00 0.00 H new ATOM 1309 N SER B 17 8.276 2.381 -13.528 1.00 0.00 N ATOM 1310 CA SER B 17 9.497 1.538 -13.713 1.00 0.00 C ATOM 1311 C SER B 17 9.263 0.146 -13.123 1.00 0.00 C ATOM 1312 O SER B 17 8.500 -0.019 -12.192 1.00 0.00 O ATOM 1313 CB SER B 17 10.677 2.195 -12.998 1.00 0.00 C ATOM 1314 OG SER B 17 11.808 1.335 -13.071 1.00 0.00 O ATOM 0 H SER B 17 7.545 1.966 -12.951 1.00 0.00 H new ATOM 0 HA SER B 17 9.712 1.447 -14.778 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.906 3.156 -13.458 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.422 2.392 -11.957 1.00 0.00 H new ATOM 0 HG SER B 17 12.567 1.754 -12.615 1.00 0.00 H new ATOM 1320 N PHE B 18 9.923 -0.856 -13.659 1.00 0.00 N ATOM 1321 CA PHE B 18 9.762 -2.255 -13.135 1.00 0.00 C ATOM 1322 C PHE B 18 11.121 -2.805 -12.692 1.00 0.00 C ATOM 1323 O PHE B 18 11.933 -3.200 -13.506 1.00 0.00 O ATOM 1324 CB PHE B 18 9.176 -3.155 -14.245 1.00 0.00 C ATOM 1325 CG PHE B 18 7.670 -3.237 -14.114 1.00 0.00 C ATOM 1326 CD1 PHE B 18 7.114 -3.800 -12.960 1.00 0.00 C ATOM 1327 CD2 PHE B 18 6.838 -2.747 -15.127 1.00 0.00 C ATOM 1328 CE1 PHE B 18 5.727 -3.889 -12.821 1.00 0.00 C ATOM 1329 CE2 PHE B 18 5.446 -2.836 -14.988 1.00 0.00 C ATOM 1330 CZ PHE B 18 4.891 -3.399 -13.831 1.00 0.00 C ATOM 0 H PHE B 18 10.571 -0.765 -14.442 1.00 0.00 H new ATOM 0 HA PHE B 18 9.086 -2.243 -12.280 1.00 0.00 H new ATOM 0 HB2 PHE B 18 9.442 -2.756 -15.224 1.00 0.00 H new ATOM 0 HB3 PHE B 18 9.609 -4.153 -14.179 1.00 0.00 H new ATOM 0 HD1 PHE B 18 7.759 -4.167 -12.175 1.00 0.00 H new ATOM 0 HD2 PHE B 18 7.267 -2.302 -16.013 1.00 0.00 H new ATOM 0 HE1 PHE B 18 5.300 -4.335 -11.935 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.801 -2.470 -15.773 1.00 0.00 H new ATOM 0 HZ PHE B 18 3.818 -3.455 -13.719 1.00 0.00 H new ATOM 1340 N ASP B 19 11.356 -2.867 -11.404 1.00 0.00 N ATOM 1341 CA ASP B 19 12.642 -3.435 -10.886 1.00 0.00 C ATOM 1342 C ASP B 19 12.316 -4.376 -9.708 1.00 0.00 C ATOM 1343 O ASP B 19 11.463 -4.066 -8.898 1.00 0.00 O ATOM 1344 CB ASP B 19 13.560 -2.283 -10.426 1.00 0.00 C ATOM 1345 CG ASP B 19 15.028 -2.633 -10.702 1.00 0.00 C ATOM 1346 OD1 ASP B 19 15.455 -2.452 -11.831 1.00 0.00 O ATOM 1347 OD2 ASP B 19 15.695 -3.080 -9.785 1.00 0.00 O ATOM 0 H ASP B 19 10.708 -2.547 -10.684 1.00 0.00 H new ATOM 0 HA ASP B 19 13.159 -3.996 -11.665 1.00 0.00 H new ATOM 0 HB2 ASP B 19 13.293 -1.365 -10.949 1.00 0.00 H new ATOM 0 HB3 ASP B 19 13.417 -2.097 -9.362 1.00 0.00 H new ATOM 1352 N PRO B 20 12.968 -5.511 -9.600 1.00 0.00 N ATOM 1353 CA PRO B 20 12.701 -6.469 -8.487 1.00 0.00 C ATOM 1354 C PRO B 20 13.197 -5.935 -7.140 1.00 0.00 C ATOM 1355 O PRO B 20 12.806 -6.413 -6.092 1.00 0.00 O ATOM 1356 CB PRO B 20 13.475 -7.732 -8.902 1.00 0.00 C ATOM 1357 CG PRO B 20 14.580 -7.236 -9.775 1.00 0.00 C ATOM 1358 CD PRO B 20 14.025 -6.006 -10.501 1.00 0.00 C ATOM 0 HA PRO B 20 11.636 -6.649 -8.343 1.00 0.00 H new ATOM 0 HB2 PRO B 20 13.866 -8.260 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.832 -8.431 -9.437 1.00 0.00 H new ATOM 0 HG2 PRO B 20 15.458 -6.977 -9.184 1.00 0.00 H new ATOM 0 HG3 PRO B 20 14.889 -8.002 -10.486 1.00 0.00 H new ATOM 0 HD2 PRO B 20 14.798 -5.254 -10.662 1.00 0.00 H new ATOM 0 HD3 PRO B 20 13.625 -6.267 -11.481 1.00 0.00 H new ATOM 1366 N LYS B 21 14.059 -4.952 -7.159 1.00 0.00 N ATOM 1367 CA LYS B 21 14.587 -4.387 -5.881 1.00 0.00 C ATOM 1368 C LYS B 21 13.766 -3.154 -5.490 1.00 0.00 C ATOM 1369 O LYS B 21 13.871 -2.651 -4.387 1.00 0.00 O ATOM 1370 CB LYS B 21 16.053 -3.993 -6.070 1.00 0.00 C ATOM 1371 CG LYS B 21 16.888 -5.260 -6.284 1.00 0.00 C ATOM 1372 CD LYS B 21 18.350 -4.888 -6.588 1.00 0.00 C ATOM 1373 CE LYS B 21 19.107 -4.613 -5.283 1.00 0.00 C ATOM 1374 NZ LYS B 21 19.031 -5.810 -4.398 1.00 0.00 N ATOM 0 H LYS B 21 14.421 -4.515 -8.006 1.00 0.00 H new ATOM 0 HA LYS B 21 14.512 -5.134 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS B 21 16.156 -3.326 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.412 -3.449 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS B 21 16.842 -5.889 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS B 21 16.474 -5.842 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS B 21 18.833 -5.698 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS B 21 18.383 -4.007 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS B 21 20.148 -4.373 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS B 21 18.679 -3.747 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 19.877 -5.850 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 18.182 -5.747 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 18.981 -6.670 -4.981 1.00 0.00 H new ATOM 1388 N GLU B 22 12.938 -2.678 -6.378 1.00 0.00 N ATOM 1389 CA GLU B 22 12.093 -1.495 -6.057 1.00 0.00 C ATOM 1390 C GLU B 22 11.136 -1.245 -7.226 1.00 0.00 C ATOM 1391 O GLU B 22 11.546 -1.183 -8.367 1.00 0.00 O ATOM 1392 CB GLU B 22 13.001 -0.259 -5.821 1.00 0.00 C ATOM 1393 CG GLU B 22 12.846 0.249 -4.379 1.00 0.00 C ATOM 1394 CD GLU B 22 13.563 1.590 -4.217 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.783 1.595 -4.209 1.00 0.00 O ATOM 1396 OE2 GLU B 22 12.878 2.592 -4.096 1.00 0.00 O ATOM 0 H GLU B 22 12.810 -3.059 -7.315 1.00 0.00 H new ATOM 0 HA GLU B 22 11.515 -1.676 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU B 22 14.042 -0.522 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU B 22 12.739 0.533 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU B 22 11.789 0.360 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU B 22 13.259 -0.480 -3.682 1.00 0.00 H new ATOM 1403 N ILE B 23 9.868 -1.095 -6.944 1.00 0.00 N ATOM 1404 CA ILE B 23 8.869 -0.843 -8.034 1.00 0.00 C ATOM 1405 C ILE B 23 8.241 0.531 -7.829 1.00 0.00 C ATOM 1406 O ILE B 23 7.783 0.863 -6.754 1.00 0.00 O ATOM 1407 CB ILE B 23 7.779 -1.918 -7.992 1.00 0.00 C ATOM 1408 CG1 ILE B 23 8.402 -3.278 -8.324 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.689 -1.589 -9.014 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.384 -4.390 -8.065 1.00 0.00 C ATOM 0 H ILE B 23 9.476 -1.136 -6.003 1.00 0.00 H new ATOM 0 HA ILE B 23 9.368 -0.877 -9.003 1.00 0.00 H new ATOM 0 HB ILE B 23 7.336 -1.950 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.719 -3.298 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE B 23 9.293 -3.439 -7.716 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.916 -2.356 -8.981 1.00 0.00 H new ATOM 0 HG22 ILE B 23 6.249 -0.620 -8.778 1.00 0.00 H new ATOM 0 HG23 ILE B 23 7.125 -1.556 -10.013 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.831 -5.355 -8.302 1.00 0.00 H new ATOM 0 HD12 ILE B 23 7.088 -4.375 -7.016 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.506 -4.233 -8.692 1.00 0.00 H new ATOM 1422 N LEU B 24 8.226 1.334 -8.860 1.00 0.00 N ATOM 1423 CA LEU B 24 7.638 2.704 -8.756 1.00 0.00 C ATOM 1424 C LEU B 24 6.343 2.746 -9.564 1.00 0.00 C ATOM 1425 O LEU B 24 6.329 2.452 -10.743 1.00 0.00 O ATOM 1426 CB LEU B 24 8.632 3.715 -9.334 1.00 0.00 C ATOM 1427 CG LEU B 24 9.992 3.554 -8.644 1.00 0.00 C ATOM 1428 CD1 LEU B 24 10.978 4.581 -9.210 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.839 3.757 -7.129 1.00 0.00 C ATOM 0 H LEU B 24 8.600 1.098 -9.779 1.00 0.00 H new ATOM 0 HA LEU B 24 7.430 2.948 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.738 3.562 -10.408 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.259 4.729 -9.191 1.00 0.00 H new ATOM 0 HG LEU B 24 10.372 2.549 -8.829 1.00 0.00 H new ATOM 0 HD11 LEU B 24 11.945 4.466 -8.719 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.094 4.422 -10.282 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.598 5.587 -9.032 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.809 3.641 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.454 4.758 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.145 3.017 -6.731 1.00 0.00 H new ATOM 1441 N LEU B 25 5.253 3.105 -8.934 1.00 0.00 N ATOM 1442 CA LEU B 25 3.940 3.164 -9.649 1.00 0.00 C ATOM 1443 C LEU B 25 3.396 4.589 -9.609 1.00 0.00 C ATOM 1444 O LEU B 25 3.332 5.212 -8.567 1.00 0.00 O ATOM 1445 CB LEU B 25 2.947 2.229 -8.952 1.00 0.00 C ATOM 1446 CG LEU B 25 3.536 0.817 -8.870 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.536 -0.107 -8.170 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.834 0.288 -10.279 1.00 0.00 C ATOM 0 H LEU B 25 5.216 3.362 -7.948 1.00 0.00 H new ATOM 0 HA LEU B 25 4.078 2.857 -10.686 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.725 2.599 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.005 2.209 -9.500 1.00 0.00 H new ATOM 0 HG LEU B 25 4.466 0.846 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.951 -1.113 -8.109 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.339 0.265 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.605 -0.132 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU B 25 4.252 -0.716 -10.210 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.912 0.258 -10.859 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.550 0.946 -10.771 1.00 0.00 H new ATOM 1460 N GLU B 26 2.984 5.105 -10.735 1.00 0.00 N ATOM 1461 CA GLU B 26 2.424 6.481 -10.760 1.00 0.00 C ATOM 1462 C GLU B 26 0.950 6.410 -10.372 1.00 0.00 C ATOM 1463 O GLU B 26 0.118 5.970 -11.154 1.00 0.00 O ATOM 1464 CB GLU B 26 2.549 7.073 -12.165 1.00 0.00 C ATOM 1465 CG GLU B 26 2.233 8.593 -12.131 1.00 0.00 C ATOM 1466 CD GLU B 26 1.323 8.971 -13.305 1.00 0.00 C ATOM 1467 OE1 GLU B 26 1.832 9.109 -14.405 1.00 0.00 O ATOM 1468 OE2 GLU B 26 0.130 9.107 -13.083 1.00 0.00 O ATOM 0 H GLU B 26 3.012 4.631 -11.638 1.00 0.00 H new ATOM 0 HA GLU B 26 2.972 7.113 -10.061 1.00 0.00 H new ATOM 0 HB2 GLU B 26 3.556 6.911 -12.548 1.00 0.00 H new ATOM 0 HB3 GLU B 26 1.864 6.566 -12.844 1.00 0.00 H new ATOM 0 HG2 GLU B 26 1.749 8.850 -11.189 1.00 0.00 H new ATOM 0 HG3 GLU B 26 3.159 9.166 -12.180 1.00 0.00 H new ATOM 1475 N THR B 27 0.625 6.816 -9.161 1.00 0.00 N ATOM 1476 CA THR B 27 -0.792 6.763 -8.686 1.00 0.00 C ATOM 1477 C THR B 27 -1.255 8.142 -8.204 1.00 0.00 C ATOM 1478 O THR B 27 -0.470 9.070 -8.058 1.00 0.00 O ATOM 1479 CB THR B 27 -0.903 5.757 -7.534 1.00 0.00 C ATOM 1480 OG1 THR B 27 -2.276 5.519 -7.253 1.00 0.00 O ATOM 1481 CG2 THR B 27 -0.215 6.313 -6.283 1.00 0.00 C ATOM 0 H THR B 27 1.290 7.184 -8.480 1.00 0.00 H new ATOM 0 HA THR B 27 -1.427 6.453 -9.516 1.00 0.00 H new ATOM 0 HB THR B 27 -0.417 4.825 -7.822 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.353 4.875 -6.518 1.00 0.00 H new ATOM 0 HG21 THR B 27 -0.299 5.591 -5.470 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.838 6.496 -6.498 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.693 7.247 -5.990 1.00 0.00 H new ATOM 1489 N ILE B 28 -2.539 8.257 -7.959 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.153 9.531 -7.481 1.00 0.00 C ATOM 1491 C ILE B 28 -2.169 10.295 -6.591 1.00 0.00 C ATOM 1492 O ILE B 28 -1.293 9.720 -5.977 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.423 9.215 -6.671 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -5.219 8.097 -7.375 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.293 10.481 -6.566 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -6.488 7.769 -6.592 1.00 0.00 C ATOM 0 H ILE B 28 -3.205 7.493 -8.076 1.00 0.00 H new ATOM 0 HA ILE B 28 -3.404 10.146 -8.345 1.00 0.00 H new ATOM 0 HB ILE B 28 -4.143 8.884 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -5.479 8.409 -8.386 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -4.600 7.204 -7.466 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.193 10.258 -5.992 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.730 11.269 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -5.573 10.814 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -7.037 6.978 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -6.221 7.435 -5.589 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.114 8.659 -6.523 1.00 0.00 H new ATOM 1508 N GLN B 29 -2.335 11.578 -6.524 1.00 0.00 N ATOM 1509 CA GLN B 29 -1.458 12.444 -5.683 1.00 0.00 C ATOM 1510 C GLN B 29 -0.019 12.443 -6.202 1.00 0.00 C ATOM 1511 O GLN B 29 0.522 13.475 -6.544 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.446 11.947 -4.236 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.871 11.733 -3.743 1.00 0.00 C ATOM 1514 CD GLN B 29 -3.610 13.069 -3.693 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -3.128 14.027 -3.121 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -4.776 13.174 -4.270 1.00 0.00 N ATOM 0 H GLN B 29 -3.062 12.083 -7.030 1.00 0.00 H new ATOM 0 HA GLN B 29 -1.861 13.456 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -0.886 11.014 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -0.938 12.671 -3.599 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -3.394 11.043 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -2.858 11.277 -2.753 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -5.182 12.371 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -5.282 14.059 -4.241 1.00 0.00 H new ATOM 1525 N GLY B 30 0.613 11.306 -6.238 1.00 0.00 N ATOM 1526 CA GLY B 30 2.027 11.269 -6.700 1.00 0.00 C ATOM 1527 C GLY B 30 2.445 9.826 -6.970 1.00 0.00 C ATOM 1528 O GLY B 30 1.631 8.928 -7.023 1.00 0.00 O ATOM 0 H GLY B 30 0.216 10.406 -5.970 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.139 11.865 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY B 30 2.678 11.711 -5.945 1.00 0.00 H new ATOM 1532 N VAL B 31 3.716 9.602 -7.151 1.00 0.00 N ATOM 1533 CA VAL B 31 4.199 8.220 -7.429 1.00 0.00 C ATOM 1534 C VAL B 31 4.456 7.480 -6.120 1.00 0.00 C ATOM 1535 O VAL B 31 5.047 8.007 -5.198 1.00 0.00 O ATOM 1536 CB VAL B 31 5.490 8.286 -8.248 1.00 0.00 C ATOM 1537 CG1 VAL B 31 5.852 6.886 -8.756 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.289 9.227 -9.440 1.00 0.00 C ATOM 0 H VAL B 31 4.443 10.317 -7.119 1.00 0.00 H new ATOM 0 HA VAL B 31 3.437 7.682 -7.993 1.00 0.00 H new ATOM 0 HB VAL B 31 6.298 8.660 -7.620 1.00 0.00 H new ATOM 0 HG11 VAL B 31 6.772 6.937 -9.339 1.00 0.00 H new ATOM 0 HG12 VAL B 31 5.997 6.217 -7.908 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.045 6.507 -9.384 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.208 9.275 -10.024 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.479 8.853 -10.067 1.00 0.00 H new ATOM 0 HG23 VAL B 31 5.037 10.224 -9.078 1.00 0.00 H new ATOM 1548 N LEU B 32 4.017 6.250 -6.040 1.00 0.00 N ATOM 1549 CA LEU B 32 4.230 5.441 -4.805 1.00 0.00 C ATOM 1550 C LEU B 32 5.398 4.490 -5.040 1.00 0.00 C ATOM 1551 O LEU B 32 5.367 3.656 -5.924 1.00 0.00 O ATOM 1552 CB LEU B 32 2.960 4.633 -4.502 1.00 0.00 C ATOM 1553 CG LEU B 32 3.122 3.819 -3.208 1.00 0.00 C ATOM 1554 CD1 LEU B 32 3.172 4.752 -1.990 1.00 0.00 C ATOM 1555 CD2 LEU B 32 1.928 2.871 -3.076 1.00 0.00 C ATOM 0 H LEU B 32 3.515 5.768 -6.786 1.00 0.00 H new ATOM 0 HA LEU B 32 4.449 6.095 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.109 5.308 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU B 32 2.744 3.962 -5.334 1.00 0.00 H new ATOM 0 HG LEU B 32 4.053 3.254 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.287 4.160 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.017 5.433 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.247 5.327 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.028 2.285 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.006 3.451 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.899 2.201 -3.935 1.00 0.00 H new ATOM 1567 N SER B 33 6.427 4.609 -4.245 1.00 0.00 N ATOM 1568 CA SER B 33 7.611 3.718 -4.400 1.00 0.00 C ATOM 1569 C SER B 33 7.529 2.593 -3.367 1.00 0.00 C ATOM 1570 O SER B 33 7.374 2.836 -2.182 1.00 0.00 O ATOM 1571 CB SER B 33 8.887 4.527 -4.167 1.00 0.00 C ATOM 1572 OG SER B 33 8.838 5.721 -4.938 1.00 0.00 O ATOM 0 H SER B 33 6.498 5.291 -3.489 1.00 0.00 H new ATOM 0 HA SER B 33 7.626 3.296 -5.405 1.00 0.00 H new ATOM 0 HB2 SER B 33 8.989 4.768 -3.109 1.00 0.00 H new ATOM 0 HB3 SER B 33 9.760 3.937 -4.445 1.00 0.00 H new ATOM 0 HG SER B 33 9.655 6.241 -4.788 1.00 0.00 H new ATOM 1578 N ILE B 34 7.632 1.368 -3.812 1.00 0.00 N ATOM 1579 CA ILE B 34 7.559 0.207 -2.873 1.00 0.00 C ATOM 1580 C ILE B 34 8.965 -0.349 -2.650 1.00 0.00 C ATOM 1581 O ILE B 34 9.680 -0.652 -3.593 1.00 0.00 O ATOM 1582 CB ILE B 34 6.666 -0.875 -3.484 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.264 -0.297 -3.702 1.00 0.00 C ATOM 1584 CG2 ILE B 34 6.589 -2.077 -2.539 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.430 -1.272 -4.533 1.00 0.00 C ATOM 0 H ILE B 34 7.764 1.119 -4.792 1.00 0.00 H new ATOM 0 HA ILE B 34 7.142 0.526 -1.918 1.00 0.00 H new ATOM 0 HB ILE B 34 7.082 -1.201 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.781 -0.117 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.331 0.665 -4.211 1.00 0.00 H new ATOM 0 HG21 ILE B 34 5.952 -2.845 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.589 -2.481 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.171 -1.762 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.433 -0.859 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.910 -1.430 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.351 -2.223 -4.007 1.00 0.00 H new ATOM 1597 N LYS B 35 9.362 -0.472 -1.404 1.00 0.00 N ATOM 1598 CA LYS B 35 10.726 -0.993 -1.073 1.00 0.00 C ATOM 1599 C LYS B 35 10.612 -2.277 -0.249 1.00 0.00 C ATOM 1600 O LYS B 35 9.728 -2.429 0.574 1.00 0.00 O ATOM 1601 CB LYS B 35 11.480 0.057 -0.256 1.00 0.00 C ATOM 1602 CG LYS B 35 11.875 1.220 -1.165 1.00 0.00 C ATOM 1603 CD LYS B 35 12.520 2.340 -0.343 1.00 0.00 C ATOM 1604 CE LYS B 35 13.936 1.940 0.083 1.00 0.00 C ATOM 1605 NZ LYS B 35 14.653 3.141 0.597 1.00 0.00 N ATOM 0 H LYS B 35 8.791 -0.230 -0.594 1.00 0.00 H new ATOM 0 HA LYS B 35 11.261 -1.205 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS B 35 10.854 0.416 0.561 1.00 0.00 H new ATOM 0 HB3 LYS B 35 12.369 -0.386 0.194 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.571 0.873 -1.929 1.00 0.00 H new ATOM 0 HG3 LYS B 35 10.995 1.600 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS B 35 12.555 3.257 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS B 35 11.913 2.549 0.538 1.00 0.00 H new ATOM 0 HE2 LYS B 35 13.893 1.171 0.854 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.476 1.514 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 15.615 2.873 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 14.705 3.861 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 14.140 3.528 1.415 1.00 0.00 H new ATOM 1619 N GLY B 36 11.511 -3.194 -0.466 1.00 0.00 N ATOM 1620 CA GLY B 36 11.481 -4.476 0.290 1.00 0.00 C ATOM 1621 C GLY B 36 12.502 -5.429 -0.332 1.00 0.00 C ATOM 1622 O GLY B 36 13.597 -5.031 -0.675 1.00 0.00 O ATOM 0 H GLY B 36 12.272 -3.110 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY B 36 11.716 -4.302 1.340 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.483 -4.914 0.254 1.00 0.00 H new ATOM 1626 N GLU B 37 12.157 -6.684 -0.483 1.00 0.00 N ATOM 1627 CA GLU B 37 13.120 -7.656 -1.091 1.00 0.00 C ATOM 1628 C GLU B 37 12.377 -8.588 -2.054 1.00 0.00 C ATOM 1629 O GLU B 37 11.276 -9.029 -1.786 1.00 0.00 O ATOM 1630 CB GLU B 37 13.776 -8.481 0.018 1.00 0.00 C ATOM 1631 CG GLU B 37 14.552 -7.548 0.948 1.00 0.00 C ATOM 1632 CD GLU B 37 15.300 -8.373 1.993 1.00 0.00 C ATOM 1633 OE1 GLU B 37 15.365 -9.580 1.829 1.00 0.00 O ATOM 1634 OE2 GLU B 37 15.795 -7.786 2.941 1.00 0.00 O ATOM 0 H GLU B 37 11.255 -7.077 -0.213 1.00 0.00 H new ATOM 0 HA GLU B 37 13.886 -7.110 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU B 37 13.017 -9.025 0.580 1.00 0.00 H new ATOM 0 HB3 GLU B 37 14.447 -9.224 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU B 37 15.256 -6.947 0.372 1.00 0.00 H new ATOM 0 HG3 GLU B 37 13.868 -6.855 1.438 1.00 0.00 H new ATOM 1641 N LYS B 38 12.980 -8.883 -3.174 1.00 0.00 N ATOM 1642 CA LYS B 38 12.332 -9.782 -4.170 1.00 0.00 C ATOM 1643 C LYS B 38 10.881 -9.355 -4.387 1.00 0.00 C ATOM 1644 O LYS B 38 9.956 -10.010 -3.947 1.00 0.00 O ATOM 1645 CB LYS B 38 12.376 -11.225 -3.663 1.00 0.00 C ATOM 1646 CG LYS B 38 13.831 -11.695 -3.619 1.00 0.00 C ATOM 1647 CD LYS B 38 13.897 -13.134 -3.101 1.00 0.00 C ATOM 1648 CE LYS B 38 15.359 -13.584 -3.044 1.00 0.00 C ATOM 1649 NZ LYS B 38 15.429 -14.973 -2.508 1.00 0.00 N ATOM 0 H LYS B 38 13.901 -8.537 -3.443 1.00 0.00 H new ATOM 0 HA LYS B 38 12.868 -9.715 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.930 -11.289 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS B 38 11.791 -11.872 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.272 -11.637 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.415 -11.039 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS B 38 13.446 -13.197 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS B 38 13.326 -13.794 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS B 38 15.802 -13.544 -4.039 1.00 0.00 H new ATOM 0 HE3 LYS B 38 15.934 -12.909 -2.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 16.422 -15.280 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 15.021 -14.997 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 14.893 -15.612 -3.129 1.00 0.00 H new ATOM 1663 N LEU B 39 10.677 -8.269 -5.081 1.00 0.00 N ATOM 1664 CA LEU B 39 9.294 -7.791 -5.356 1.00 0.00 C ATOM 1665 C LEU B 39 8.841 -8.387 -6.690 1.00 0.00 C ATOM 1666 O LEU B 39 8.743 -7.705 -7.688 1.00 0.00 O ATOM 1667 CB LEU B 39 9.293 -6.259 -5.433 1.00 0.00 C ATOM 1668 CG LEU B 39 9.279 -5.678 -4.015 1.00 0.00 C ATOM 1669 CD1 LEU B 39 10.455 -6.248 -3.220 1.00 0.00 C ATOM 1670 CD2 LEU B 39 9.401 -4.152 -4.078 1.00 0.00 C ATOM 0 H LEU B 39 11.418 -7.687 -5.473 1.00 0.00 H new ATOM 0 HA LEU B 39 8.614 -8.101 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU B 39 10.174 -5.910 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU B 39 8.422 -5.912 -5.989 1.00 0.00 H new ATOM 0 HG LEU B 39 8.342 -5.945 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU B 39 10.446 -5.835 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU B 39 10.368 -7.333 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU B 39 11.390 -5.982 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.391 -3.744 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU B 39 10.336 -3.882 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.563 -3.743 -4.643 1.00 0.00 H new ATOM 1682 N GLY B 40 8.588 -9.669 -6.705 1.00 0.00 N ATOM 1683 CA GLY B 40 8.161 -10.339 -7.966 1.00 0.00 C ATOM 1684 C GLY B 40 6.722 -9.946 -8.313 1.00 0.00 C ATOM 1685 O GLY B 40 5.933 -9.618 -7.448 1.00 0.00 O ATOM 0 H GLY B 40 8.659 -10.283 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY B 40 8.829 -10.057 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY B 40 8.233 -11.421 -7.854 1.00 0.00 H new ATOM 1689 N LEU B 46 -2.910 -8.334 -17.767 1.00 0.00 N ATOM 1690 CA LEU B 46 -3.623 -7.213 -17.073 1.00 0.00 C ATOM 1691 C LEU B 46 -5.096 -7.581 -16.833 1.00 0.00 C ATOM 1692 O LEU B 46 -5.445 -8.162 -15.824 1.00 0.00 O ATOM 1693 CB LEU B 46 -3.536 -5.951 -17.939 1.00 0.00 C ATOM 1694 CG LEU B 46 -4.234 -4.771 -17.239 1.00 0.00 C ATOM 1695 CD1 LEU B 46 -3.524 -4.451 -15.910 1.00 0.00 C ATOM 1696 CD2 LEU B 46 -4.190 -3.546 -18.160 1.00 0.00 C ATOM 0 HA LEU B 46 -3.151 -7.031 -16.107 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -2.492 -5.704 -18.128 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -4.001 -6.134 -18.908 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.270 -5.035 -17.027 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.025 -3.615 -15.422 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -3.559 -5.325 -15.259 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -2.485 -4.187 -16.107 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.683 -2.705 -17.671 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -3.153 -3.286 -18.371 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -4.704 -3.774 -19.094 1.00 0.00 H new ATOM 1708 N LYS B 47 -5.951 -7.243 -17.766 1.00 0.00 N ATOM 1709 CA LYS B 47 -7.399 -7.556 -17.635 1.00 0.00 C ATOM 1710 C LYS B 47 -7.973 -6.905 -16.376 1.00 0.00 C ATOM 1711 O LYS B 47 -7.378 -6.936 -15.318 1.00 0.00 O ATOM 1712 CB LYS B 47 -7.604 -9.068 -17.573 1.00 0.00 C ATOM 1713 CG LYS B 47 -9.099 -9.364 -17.644 1.00 0.00 C ATOM 1714 CD LYS B 47 -9.320 -10.876 -17.680 1.00 0.00 C ATOM 1715 CE LYS B 47 -10.819 -11.169 -17.752 1.00 0.00 C ATOM 1716 NZ LYS B 47 -11.310 -10.908 -19.134 1.00 0.00 N ATOM 0 H LYS B 47 -5.698 -6.755 -18.625 1.00 0.00 H new ATOM 0 HA LYS B 47 -7.920 -7.159 -18.506 1.00 0.00 H new ATOM 0 HB2 LYS B 47 -7.083 -9.554 -18.398 1.00 0.00 H new ATOM 0 HB3 LYS B 47 -7.183 -9.469 -16.651 1.00 0.00 H new ATOM 0 HG2 LYS B 47 -9.607 -8.932 -16.782 1.00 0.00 H new ATOM 0 HG3 LYS B 47 -9.530 -8.902 -18.532 1.00 0.00 H new ATOM 0 HD2 LYS B 47 -8.812 -11.308 -18.542 1.00 0.00 H new ATOM 0 HD3 LYS B 47 -8.890 -11.339 -16.792 1.00 0.00 H new ATOM 0 HE2 LYS B 47 -11.011 -12.206 -17.476 1.00 0.00 H new ATOM 0 HE3 LYS B 47 -11.357 -10.544 -17.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 -12.282 -11.265 -19.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 -11.297 -9.885 -19.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 -10.694 -11.392 -19.818 1.00 0.00 H new ATOM 1730 N ALA B 48 -9.132 -6.312 -16.493 1.00 0.00 N ATOM 1731 CA ALA B 48 -9.762 -5.646 -15.318 1.00 0.00 C ATOM 1732 C ALA B 48 -8.881 -4.483 -14.857 1.00 0.00 C ATOM 1733 O ALA B 48 -9.234 -3.746 -13.959 1.00 0.00 O ATOM 1734 CB ALA B 48 -9.936 -6.654 -14.178 1.00 0.00 C ATOM 0 H ALA B 48 -9.671 -6.261 -17.357 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.742 -5.264 -15.603 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -10.397 -6.160 -13.323 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.573 -7.473 -14.511 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.962 -7.047 -13.888 1.00 0.00 H new ATOM 1740 N GLY B 49 -7.743 -4.304 -15.472 1.00 0.00 N ATOM 1741 CA GLY B 49 -6.855 -3.175 -15.071 1.00 0.00 C ATOM 1742 C GLY B 49 -6.404 -3.366 -13.624 1.00 0.00 C ATOM 1743 O GLY B 49 -6.195 -2.413 -12.898 1.00 0.00 O ATOM 0 H GLY B 49 -7.391 -4.887 -16.231 1.00 0.00 H new ATOM 0 HA2 GLY B 49 -5.988 -3.130 -15.730 1.00 0.00 H new ATOM 0 HA3 GLY B 49 -7.384 -2.228 -15.175 1.00 0.00 H new ATOM 1747 N GLN B 50 -6.263 -4.593 -13.195 1.00 0.00 N ATOM 1748 CA GLN B 50 -5.834 -4.864 -11.786 1.00 0.00 C ATOM 1749 C GLN B 50 -4.360 -5.264 -11.765 1.00 0.00 C ATOM 1750 O GLN B 50 -3.861 -5.872 -12.693 1.00 0.00 O ATOM 1751 CB GLN B 50 -6.674 -6.014 -11.227 1.00 0.00 C ATOM 1752 CG GLN B 50 -8.119 -5.550 -11.064 1.00 0.00 C ATOM 1753 CD GLN B 50 -8.983 -6.712 -10.580 1.00 0.00 C ATOM 1754 OE1 GLN B 50 -8.485 -7.791 -10.321 1.00 0.00 O ATOM 1755 NE2 GLN B 50 -10.268 -6.534 -10.445 1.00 0.00 N ATOM 0 H GLN B 50 -6.427 -5.425 -13.762 1.00 0.00 H new ATOM 0 HA GLN B 50 -5.973 -3.968 -11.181 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -6.629 -6.872 -11.898 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -6.274 -6.339 -10.267 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -8.168 -4.727 -10.351 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -8.499 -5.173 -12.013 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -10.683 -5.628 -10.663 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -10.858 -7.301 -10.122 1.00 0.00 H new ATOM 1764 N VAL B 51 -3.661 -4.930 -10.711 1.00 0.00 N ATOM 1765 CA VAL B 51 -2.211 -5.289 -10.611 1.00 0.00 C ATOM 1766 C VAL B 51 -1.932 -5.849 -9.213 1.00 0.00 C ATOM 1767 O VAL B 51 -2.523 -5.427 -8.238 1.00 0.00 O ATOM 1768 CB VAL B 51 -1.359 -4.039 -10.855 1.00 0.00 C ATOM 1769 CG1 VAL B 51 -1.884 -2.888 -9.993 1.00 0.00 C ATOM 1770 CG2 VAL B 51 0.102 -4.326 -10.488 1.00 0.00 C ATOM 0 H VAL B 51 -4.033 -4.421 -9.909 1.00 0.00 H new ATOM 0 HA VAL B 51 -1.960 -6.041 -11.359 1.00 0.00 H new ATOM 0 HB VAL B 51 -1.418 -3.764 -11.908 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -1.278 -1.998 -10.166 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -2.920 -2.679 -10.258 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -1.827 -3.166 -8.941 1.00 0.00 H new ATOM 0 HG21 VAL B 51 0.703 -3.434 -10.663 1.00 0.00 H new ATOM 0 HG22 VAL B 51 0.165 -4.605 -9.436 1.00 0.00 H new ATOM 0 HG23 VAL B 51 0.478 -5.144 -11.103 1.00 0.00 H new ATOM 1780 N GLU B 52 -1.032 -6.796 -9.118 1.00 0.00 N ATOM 1781 CA GLU B 52 -0.693 -7.401 -7.791 1.00 0.00 C ATOM 1782 C GLU B 52 0.824 -7.407 -7.609 1.00 0.00 C ATOM 1783 O GLU B 52 1.576 -7.495 -8.559 1.00 0.00 O ATOM 1784 CB GLU B 52 -1.226 -8.839 -7.722 1.00 0.00 C ATOM 1785 CG GLU B 52 -2.686 -8.878 -8.201 1.00 0.00 C ATOM 1786 CD GLU B 52 -3.392 -10.112 -7.628 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -3.032 -11.212 -8.014 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -4.282 -9.933 -6.813 1.00 0.00 O ATOM 0 H GLU B 52 -0.513 -7.179 -9.908 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.153 -6.812 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -0.613 -9.494 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -1.159 -9.213 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -3.205 -7.973 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -2.720 -8.902 -9.290 1.00 0.00 H new ATOM 1795 N VAL B 53 1.269 -7.305 -6.383 1.00 0.00 N ATOM 1796 CA VAL B 53 2.735 -7.298 -6.089 1.00 0.00 C ATOM 1797 C VAL B 53 3.036 -8.435 -5.108 1.00 0.00 C ATOM 1798 O VAL B 53 2.321 -8.634 -4.146 1.00 0.00 O ATOM 1799 CB VAL B 53 3.113 -5.952 -5.456 1.00 0.00 C ATOM 1800 CG1 VAL B 53 4.546 -6.018 -4.920 1.00 0.00 C ATOM 1801 CG2 VAL B 53 3.013 -4.848 -6.511 1.00 0.00 C ATOM 0 H VAL B 53 0.670 -7.225 -5.561 1.00 0.00 H new ATOM 0 HA VAL B 53 3.310 -7.437 -7.005 1.00 0.00 H new ATOM 0 HB VAL B 53 2.431 -5.735 -4.634 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.811 -5.061 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.617 -6.804 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.231 -6.237 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL B 53 3.281 -3.891 -6.063 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.694 -5.067 -7.333 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.992 -4.798 -6.890 1.00 0.00 H new ATOM 1811 N GLU B 54 4.084 -9.182 -5.352 1.00 0.00 N ATOM 1812 CA GLU B 54 4.447 -10.317 -4.444 1.00 0.00 C ATOM 1813 C GLU B 54 5.814 -10.028 -3.821 1.00 0.00 C ATOM 1814 O GLU B 54 6.787 -9.795 -4.513 1.00 0.00 O ATOM 1815 CB GLU B 54 4.511 -11.612 -5.288 1.00 0.00 C ATOM 1816 CG GLU B 54 3.899 -12.807 -4.551 1.00 0.00 C ATOM 1817 CD GLU B 54 4.803 -13.247 -3.403 1.00 0.00 C ATOM 1818 OE1 GLU B 54 5.480 -12.407 -2.841 1.00 0.00 O ATOM 1819 OE2 GLU B 54 4.794 -14.424 -3.091 1.00 0.00 O ATOM 0 H GLU B 54 4.709 -9.054 -6.148 1.00 0.00 H new ATOM 0 HA GLU B 54 3.709 -10.434 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.984 -11.458 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU B 54 5.549 -11.832 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU B 54 2.916 -12.539 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.754 -13.635 -5.245 1.00 0.00 H new ATOM 1826 N GLY B 55 5.890 -10.054 -2.523 1.00 0.00 N ATOM 1827 CA GLY B 55 7.196 -9.790 -1.849 1.00 0.00 C ATOM 1828 C GLY B 55 6.948 -9.263 -0.438 1.00 0.00 C ATOM 1829 O GLY B 55 5.823 -9.050 -0.032 1.00 0.00 O ATOM 0 H GLY B 55 5.108 -10.246 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.787 -10.705 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.773 -9.064 -2.423 1.00 0.00 H new ATOM 1833 N LEU B 56 7.998 -9.057 0.311 1.00 0.00 N ATOM 1834 CA LEU B 56 7.853 -8.542 1.704 1.00 0.00 C ATOM 1835 C LEU B 56 8.164 -7.043 1.729 1.00 0.00 C ATOM 1836 O LEU B 56 9.153 -6.598 1.183 1.00 0.00 O ATOM 1837 CB LEU B 56 8.825 -9.279 2.632 1.00 0.00 C ATOM 1838 CG LEU B 56 10.213 -9.424 1.959 1.00 0.00 C ATOM 1839 CD1 LEU B 56 11.317 -9.346 3.024 1.00 0.00 C ATOM 1840 CD2 LEU B 56 10.315 -10.778 1.235 1.00 0.00 C ATOM 0 H LEU B 56 8.959 -9.225 0.014 1.00 0.00 H new ATOM 0 HA LEU B 56 6.831 -8.709 2.045 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.925 -8.734 3.571 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.428 -10.264 2.876 1.00 0.00 H new ATOM 0 HG LEU B 56 10.335 -8.616 1.237 1.00 0.00 H new ATOM 0 HD11 LEU B 56 12.291 -9.448 2.546 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.263 -8.385 3.535 1.00 0.00 H new ATOM 0 HD13 LEU B 56 11.182 -10.150 3.748 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.295 -10.867 0.766 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.182 -11.586 1.954 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.540 -10.841 0.471 1.00 0.00 H new ATOM 1852 N ILE B 57 7.333 -6.262 2.363 1.00 0.00 N ATOM 1853 CA ILE B 57 7.588 -4.795 2.431 1.00 0.00 C ATOM 1854 C ILE B 57 8.487 -4.502 3.633 1.00 0.00 C ATOM 1855 O ILE B 57 8.122 -4.749 4.766 1.00 0.00 O ATOM 1856 CB ILE B 57 6.250 -4.052 2.579 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.549 -3.997 1.218 1.00 0.00 C ATOM 1858 CG2 ILE B 57 6.479 -2.625 3.097 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.411 -5.413 0.649 1.00 0.00 C ATOM 0 H ILE B 57 6.487 -6.577 2.838 1.00 0.00 H new ATOM 0 HA ILE B 57 8.082 -4.458 1.520 1.00 0.00 H new ATOM 0 HB ILE B 57 5.627 -4.586 3.296 1.00 0.00 H new ATOM 0 HG12 ILE B 57 4.565 -3.540 1.323 1.00 0.00 H new ATOM 0 HG13 ILE B 57 6.119 -3.372 0.530 1.00 0.00 H new ATOM 0 HG21 ILE B 57 5.520 -2.115 3.195 1.00 0.00 H new ATOM 0 HG22 ILE B 57 6.970 -2.665 4.069 1.00 0.00 H new ATOM 0 HG23 ILE B 57 7.110 -2.080 2.395 1.00 0.00 H new ATOM 0 HD11 ILE B 57 4.912 -5.369 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE B 57 6.400 -5.854 0.528 1.00 0.00 H new ATOM 0 HD13 ILE B 57 4.823 -6.024 1.333 1.00 0.00 H new ATOM 1871 N ASP B 58 9.650 -3.957 3.386 1.00 0.00 N ATOM 1872 CA ASP B 58 10.587 -3.614 4.496 1.00 0.00 C ATOM 1873 C ASP B 58 10.710 -2.087 4.569 1.00 0.00 C ATOM 1874 O ASP B 58 11.340 -1.548 5.459 1.00 0.00 O ATOM 1875 CB ASP B 58 11.961 -4.258 4.217 1.00 0.00 C ATOM 1876 CG ASP B 58 12.688 -4.554 5.535 1.00 0.00 C ATOM 1877 OD1 ASP B 58 13.382 -3.674 6.018 1.00 0.00 O ATOM 1878 OD2 ASP B 58 12.534 -5.656 6.036 1.00 0.00 O ATOM 0 H ASP B 58 9.994 -3.733 2.452 1.00 0.00 H new ATOM 0 HA ASP B 58 10.215 -3.992 5.448 1.00 0.00 H new ATOM 0 HB2 ASP B 58 11.830 -5.180 3.651 1.00 0.00 H new ATOM 0 HB3 ASP B 58 12.565 -3.590 3.603 1.00 0.00 H new ATOM 1883 N ALA B 59 10.112 -1.389 3.637 1.00 0.00 N ATOM 1884 CA ALA B 59 10.198 0.100 3.658 1.00 0.00 C ATOM 1885 C ALA B 59 9.212 0.706 2.648 1.00 0.00 C ATOM 1886 O ALA B 59 8.819 0.075 1.685 1.00 0.00 O ATOM 1887 CB ALA B 59 11.627 0.524 3.303 1.00 0.00 C ATOM 0 H ALA B 59 9.571 -1.784 2.867 1.00 0.00 H new ATOM 0 HA ALA B 59 9.941 0.461 4.654 1.00 0.00 H new ATOM 0 HB1 ALA B 59 11.698 1.612 3.316 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.322 0.106 4.031 1.00 0.00 H new ATOM 0 HB3 ALA B 59 11.879 0.156 2.308 1.00 0.00 H new ATOM 1893 N LEU B 60 8.828 1.937 2.869 1.00 0.00 N ATOM 1894 CA LEU B 60 7.880 2.629 1.943 1.00 0.00 C ATOM 1895 C LEU B 60 8.350 4.075 1.763 1.00 0.00 C ATOM 1896 O LEU B 60 8.711 4.740 2.715 1.00 0.00 O ATOM 1897 CB LEU B 60 6.452 2.598 2.549 1.00 0.00 C ATOM 1898 CG LEU B 60 5.492 1.781 1.661 1.00 0.00 C ATOM 1899 CD1 LEU B 60 5.377 2.429 0.263 1.00 0.00 C ATOM 1900 CD2 LEU B 60 5.994 0.326 1.536 1.00 0.00 C ATOM 0 H LEU B 60 9.135 2.500 3.662 1.00 0.00 H new ATOM 0 HA LEU B 60 7.858 2.128 0.975 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.487 2.164 3.548 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.076 3.616 2.656 1.00 0.00 H new ATOM 0 HG LEU B 60 4.505 1.773 2.124 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.696 1.843 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.993 3.444 0.363 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.360 2.457 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.309 -0.242 0.907 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.987 0.321 1.087 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.040 -0.129 2.525 1.00 0.00 H new ATOM 1912 N VAL B 61 8.344 4.561 0.548 1.00 0.00 N ATOM 1913 CA VAL B 61 8.777 5.970 0.282 1.00 0.00 C ATOM 1914 C VAL B 61 7.717 6.673 -0.569 1.00 0.00 C ATOM 1915 O VAL B 61 7.368 6.229 -1.647 1.00 0.00 O ATOM 1916 CB VAL B 61 10.133 5.947 -0.449 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.375 7.282 -1.173 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.266 5.719 0.572 1.00 0.00 C ATOM 0 H VAL B 61 8.055 4.039 -0.279 1.00 0.00 H new ATOM 0 HA VAL B 61 8.889 6.515 1.219 1.00 0.00 H new ATOM 0 HB VAL B 61 10.120 5.139 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.337 7.249 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.582 7.450 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.378 8.095 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL B 61 12.225 5.703 0.054 1.00 0.00 H new ATOM 0 HG22 VAL B 61 11.263 6.526 1.305 1.00 0.00 H new ATOM 0 HG23 VAL B 61 11.112 4.767 1.080 1.00 0.00 H new ATOM 1928 N TYR B 62 7.219 7.780 -0.089 1.00 0.00 N ATOM 1929 CA TYR B 62 6.196 8.553 -0.853 1.00 0.00 C ATOM 1930 C TYR B 62 6.412 10.044 -0.571 1.00 0.00 C ATOM 1931 O TYR B 62 6.657 10.416 0.558 1.00 0.00 O ATOM 1932 CB TYR B 62 4.792 8.150 -0.387 1.00 0.00 C ATOM 1933 CG TYR B 62 3.776 9.027 -1.073 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.471 10.284 -0.544 1.00 0.00 C ATOM 1935 CD2 TYR B 62 3.150 8.588 -2.242 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.542 11.105 -1.189 1.00 0.00 C ATOM 1937 CE2 TYR B 62 2.220 9.406 -2.888 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.918 10.667 -2.360 1.00 0.00 C ATOM 1939 OH TYR B 62 1.013 11.484 -2.998 1.00 0.00 O ATOM 0 H TYR B 62 7.480 8.187 0.809 1.00 0.00 H new ATOM 0 HA TYR B 62 6.291 8.348 -1.919 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.604 7.102 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.710 8.254 0.695 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.953 10.621 0.362 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.385 7.615 -2.647 1.00 0.00 H new ATOM 0 HE1 TYR B 62 2.306 12.077 -0.783 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.736 9.067 -3.792 1.00 0.00 H new ATOM 0 HH TYR B 62 1.397 11.802 -3.842 1.00 0.00 H new ATOM 1949 N PRO B 63 6.324 10.903 -1.561 1.00 0.00 N ATOM 1950 CA PRO B 63 6.518 12.364 -1.338 1.00 0.00 C ATOM 1951 C PRO B 63 5.360 12.988 -0.545 1.00 0.00 C ATOM 1952 O PRO B 63 4.289 13.231 -1.066 1.00 0.00 O ATOM 1953 CB PRO B 63 6.598 12.951 -2.756 1.00 0.00 C ATOM 1954 CG PRO B 63 5.885 11.966 -3.635 1.00 0.00 C ATOM 1955 CD PRO B 63 6.050 10.593 -2.977 1.00 0.00 C ATOM 0 HA PRO B 63 7.408 12.569 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO B 63 6.126 13.932 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO B 63 7.634 13.080 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO B 63 4.831 12.225 -3.732 1.00 0.00 H new ATOM 0 HG3 PRO B 63 6.307 11.967 -4.640 1.00 0.00 H new ATOM 0 HD2 PRO B 63 5.150 9.988 -3.086 1.00 0.00 H new ATOM 0 HD3 PRO B 63 6.868 10.031 -3.427 1.00 0.00 H new ATOM 1963 N LEU B 64 5.598 13.268 0.706 1.00 0.00 N ATOM 1964 CA LEU B 64 4.554 13.898 1.562 1.00 0.00 C ATOM 1965 C LEU B 64 4.449 15.379 1.186 1.00 0.00 C ATOM 1966 O LEU B 64 3.919 16.188 1.927 1.00 0.00 O ATOM 1967 CB LEU B 64 4.909 13.740 3.067 1.00 0.00 C ATOM 1968 CG LEU B 64 6.427 13.518 3.276 1.00 0.00 C ATOM 1969 CD1 LEU B 64 6.854 12.114 2.785 1.00 0.00 C ATOM 1970 CD2 LEU B 64 7.240 14.623 2.568 1.00 0.00 C ATOM 0 H LEU B 64 6.483 13.085 1.178 1.00 0.00 H new ATOM 0 HA LEU B 64 3.596 13.405 1.397 1.00 0.00 H new ATOM 0 HB2 LEU B 64 4.593 14.630 3.611 1.00 0.00 H new ATOM 0 HB3 LEU B 64 4.357 12.898 3.485 1.00 0.00 H new ATOM 0 HG LEU B 64 6.636 13.574 4.344 1.00 0.00 H new ATOM 0 HD11 LEU B 64 7.925 11.983 2.943 1.00 0.00 H new ATOM 0 HD12 LEU B 64 6.309 11.352 3.343 1.00 0.00 H new ATOM 0 HD13 LEU B 64 6.629 12.016 1.723 1.00 0.00 H new ATOM 0 HD21 LEU B 64 8.304 14.450 2.726 1.00 0.00 H new ATOM 0 HD22 LEU B 64 7.025 14.605 1.500 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.966 15.595 2.977 1.00 0.00 H new ATOM 1982 N GLU B 65 4.945 15.728 0.030 1.00 0.00 N ATOM 1983 CA GLU B 65 4.883 17.141 -0.436 1.00 0.00 C ATOM 1984 C GLU B 65 5.709 18.022 0.509 1.00 0.00 C ATOM 1985 O GLU B 65 5.676 17.850 1.713 1.00 0.00 O ATOM 1986 CB GLU B 65 3.413 17.618 -0.483 1.00 0.00 C ATOM 1987 CG GLU B 65 2.457 16.417 -0.689 1.00 0.00 C ATOM 1988 CD GLU B 65 1.217 16.861 -1.471 1.00 0.00 C ATOM 1989 OE1 GLU B 65 1.384 17.425 -2.539 1.00 0.00 O ATOM 1990 OE2 GLU B 65 0.119 16.619 -0.993 1.00 0.00 O ATOM 0 H GLU B 65 5.397 15.084 -0.619 1.00 0.00 H new ATOM 0 HA GLU B 65 5.297 17.215 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU B 65 3.163 18.134 0.444 1.00 0.00 H new ATOM 0 HB3 GLU B 65 3.284 18.336 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU B 65 2.971 15.621 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU B 65 2.161 16.008 0.277 1.00 0.00 H new ATOM 1997 N HIS B 66 6.454 18.960 -0.033 1.00 0.00 N ATOM 1998 CA HIS B 66 7.298 19.858 0.823 1.00 0.00 C ATOM 1999 C HIS B 66 7.036 21.325 0.472 1.00 0.00 C ATOM 2000 O HIS B 66 7.114 21.727 -0.674 1.00 0.00 O ATOM 2001 CB HIS B 66 8.779 19.540 0.593 1.00 0.00 C ATOM 2002 CG HIS B 66 9.625 20.315 1.568 1.00 0.00 C ATOM 2003 ND1 HIS B 66 10.887 20.788 1.232 1.00 0.00 N ATOM 2004 CD2 HIS B 66 9.410 20.717 2.864 1.00 0.00 C ATOM 2005 CE1 HIS B 66 11.374 21.439 2.304 1.00 0.00 C ATOM 2006 NE2 HIS B 66 10.513 21.423 3.321 1.00 0.00 N ATOM 0 H HIS B 66 6.514 19.142 -1.035 1.00 0.00 H new ATOM 0 HA HIS B 66 7.041 19.690 1.869 1.00 0.00 H new ATOM 0 HB2 HIS B 66 8.954 18.471 0.715 1.00 0.00 H new ATOM 0 HB3 HIS B 66 9.060 19.794 -0.429 1.00 0.00 H new ATOM 0 HD2 HIS B 66 8.519 20.514 3.439 1.00 0.00 H new ATOM 0 HE1 HIS B 66 12.343 21.915 2.336 1.00 0.00 H new ATOM 0 HE2 HIS B 66 10.639 21.842 4.242 1.00 0.00 H new ATOM 2014 N HIS B 67 6.739 22.124 1.460 1.00 0.00 N ATOM 2015 CA HIS B 67 6.475 23.574 1.214 1.00 0.00 C ATOM 2016 C HIS B 67 6.811 24.348 2.496 1.00 0.00 C ATOM 2017 O HIS B 67 7.473 25.367 2.467 1.00 0.00 O ATOM 2018 CB HIS B 67 4.984 23.797 0.830 1.00 0.00 C ATOM 2019 CG HIS B 67 4.245 22.482 0.841 1.00 0.00 C ATOM 2020 ND1 HIS B 67 4.319 21.602 1.912 1.00 0.00 N ATOM 2021 CD2 HIS B 67 3.418 21.886 -0.078 1.00 0.00 C ATOM 2022 CE1 HIS B 67 3.557 20.534 1.613 1.00 0.00 C ATOM 2023 NE2 HIS B 67 2.988 20.660 0.414 1.00 0.00 N ATOM 0 H HIS B 67 6.667 21.834 2.435 1.00 0.00 H new ATOM 0 HA HIS B 67 7.092 23.928 0.388 1.00 0.00 H new ATOM 0 HB2 HIS B 67 4.519 24.490 1.531 1.00 0.00 H new ATOM 0 HB3 HIS B 67 4.919 24.252 -0.158 1.00 0.00 H new ATOM 0 HD2 HIS B 67 3.144 22.305 -1.035 1.00 0.00 H new ATOM 0 HE1 HIS B 67 3.423 19.682 2.263 1.00 0.00 H new ATOM 0 HE2 HIS B 67 2.366 19.995 -0.046 1.00 0.00 H new ATOM 2031 N HIS B 68 6.348 23.866 3.618 1.00 0.00 N ATOM 2032 CA HIS B 68 6.625 24.562 4.907 1.00 0.00 C ATOM 2033 C HIS B 68 8.117 24.877 5.013 1.00 0.00 C ATOM 2034 O HIS B 68 8.910 24.053 5.423 1.00 0.00 O ATOM 2035 CB HIS B 68 6.204 23.661 6.071 1.00 0.00 C ATOM 2036 CG HIS B 68 6.746 22.271 5.867 1.00 0.00 C ATOM 2037 ND1 HIS B 68 7.966 21.868 6.390 1.00 0.00 N ATOM 2038 CD2 HIS B 68 6.237 21.170 5.217 1.00 0.00 C ATOM 2039 CE1 HIS B 68 8.150 20.579 6.054 1.00 0.00 C ATOM 2040 NE2 HIS B 68 7.125 20.108 5.340 1.00 0.00 N ATOM 0 H HIS B 68 5.788 23.017 3.697 1.00 0.00 H new ATOM 0 HA HIS B 68 6.060 25.493 4.945 1.00 0.00 H new ATOM 0 HB2 HIS B 68 6.574 24.070 7.011 1.00 0.00 H new ATOM 0 HB3 HIS B 68 5.117 23.630 6.143 1.00 0.00 H new ATOM 0 HD1 HIS B 68 8.608 22.446 6.932 1.00 0.00 H new ATOM 0 HD2 HIS B 68 5.294 21.136 4.692 1.00 0.00 H new ATOM 0 HE1 HIS B 68 9.018 19.998 6.327 1.00 0.00 H new ATOM 2048 N HIS B 69 8.500 26.075 4.654 1.00 0.00 N ATOM 2049 CA HIS B 69 9.937 26.471 4.734 1.00 0.00 C ATOM 2050 C HIS B 69 10.248 26.984 6.148 1.00 0.00 C ATOM 2051 O HIS B 69 9.592 26.617 7.103 1.00 0.00 O ATOM 2052 CB HIS B 69 10.214 27.568 3.701 1.00 0.00 C ATOM 2053 CG HIS B 69 10.203 26.969 2.323 1.00 0.00 C ATOM 2054 ND1 HIS B 69 11.064 25.945 1.956 1.00 0.00 N ATOM 2055 CD2 HIS B 69 9.450 27.244 1.206 1.00 0.00 C ATOM 2056 CE1 HIS B 69 10.814 25.644 0.668 1.00 0.00 C ATOM 2057 NE2 HIS B 69 9.842 26.406 0.166 1.00 0.00 N ATOM 0 H HIS B 69 7.874 26.801 4.306 1.00 0.00 H new ATOM 0 HA HIS B 69 10.572 25.611 4.523 1.00 0.00 H new ATOM 0 HB2 HIS B 69 9.460 28.352 3.775 1.00 0.00 H new ATOM 0 HB3 HIS B 69 11.179 28.034 3.899 1.00 0.00 H new ATOM 0 HD2 HIS B 69 8.675 27.994 1.145 1.00 0.00 H new ATOM 0 HE1 HIS B 69 11.336 24.880 0.111 1.00 0.00 H new ATOM 0 HE2 HIS B 69 9.465 26.380 -0.781 1.00 0.00 H new ATOM 2065 N HIS B 70 11.249 27.817 6.287 1.00 0.00 N ATOM 2066 CA HIS B 70 11.614 28.336 7.637 1.00 0.00 C ATOM 2067 C HIS B 70 10.400 29.025 8.266 1.00 0.00 C ATOM 2068 O HIS B 70 10.091 28.825 9.425 1.00 0.00 O ATOM 2069 CB HIS B 70 12.746 29.353 7.490 1.00 0.00 C ATOM 2070 CG HIS B 70 13.815 28.780 6.602 1.00 0.00 C ATOM 2071 ND1 HIS B 70 13.595 28.541 5.252 1.00 0.00 N ATOM 2072 CD2 HIS B 70 15.114 28.405 6.843 1.00 0.00 C ATOM 2073 CE1 HIS B 70 14.734 28.045 4.738 1.00 0.00 C ATOM 2074 NE2 HIS B 70 15.687 27.941 5.663 1.00 0.00 N ATOM 0 H HIS B 70 11.829 28.160 5.521 1.00 0.00 H new ATOM 0 HA HIS B 70 11.934 27.510 8.272 1.00 0.00 H new ATOM 0 HB2 HIS B 70 12.364 30.281 7.066 1.00 0.00 H new ATOM 0 HB3 HIS B 70 13.161 29.596 8.468 1.00 0.00 H new ATOM 0 HD2 HIS B 70 15.613 28.461 7.799 1.00 0.00 H new ATOM 0 HE1 HIS B 70 14.861 27.765 3.703 1.00 0.00 H new ATOM 0 HE2 HIS B 70 16.637 27.594 5.533 1.00 0.00 H new ATOM 2082 N HIS B 71 9.708 29.831 7.505 1.00 0.00 N ATOM 2083 CA HIS B 71 8.509 30.530 8.044 1.00 0.00 C ATOM 2084 C HIS B 71 7.790 31.264 6.910 1.00 0.00 C ATOM 2085 O HIS B 71 6.980 32.128 7.206 1.00 0.00 O ATOM 2086 CB HIS B 71 8.927 31.533 9.126 1.00 0.00 C ATOM 2087 CG HIS B 71 9.948 32.496 8.579 1.00 0.00 C ATOM 2088 ND1 HIS B 71 10.935 32.109 7.683 1.00 0.00 N ATOM 2089 CD2 HIS B 71 10.163 33.833 8.816 1.00 0.00 C ATOM 2090 CE1 HIS B 71 11.691 33.191 7.417 1.00 0.00 C ATOM 2091 NE2 HIS B 71 11.262 34.265 8.083 1.00 0.00 N ATOM 2092 OXT HIS B 71 8.058 30.945 5.762 1.00 0.00 O ATOM 0 H HIS B 71 9.924 30.035 6.529 1.00 0.00 H new ATOM 0 HA HIS B 71 7.836 29.794 8.484 1.00 0.00 H new ATOM 0 HB2 HIS B 71 8.054 32.081 9.481 1.00 0.00 H new ATOM 0 HB3 HIS B 71 9.340 31.002 9.984 1.00 0.00 H new ATOM 0 HD2 HIS B 71 9.569 34.453 9.471 1.00 0.00 H new ATOM 0 HE1 HIS B 71 12.539 33.190 6.748 1.00 0.00 H new ATOM 0 HE2 HIS B 71 11.657 35.205 8.059 1.00 0.00 H new TER 2100 HIS B 71