USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 TYR OH : rot 180:sc= -0.158 USER MOD Set 1.2: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 HIS : no HD1:sc= -0.681 X(o=0.61,f=0.39) USER MOD Set 3.2: A 18 THR OG1 : rot -135:sc= 1.29 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.156 (180deg=0) USER MOD Single : A 2 MET CE :methyl 169:sc= 0 (180deg=-0.128) USER MOD Single : A 6 SER OG : rot 16:sc= 0.0125 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -15:sc= 0.381 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -0.345 K(o=-0.34,f=-8.8!) USER MOD Single : A 37 SER OG : rot -97:sc= 1.26 USER MOD Single : A 39 SER OG : rot 180:sc= 0.144 USER MOD Single : A 43 GLN : amide:sc= 0.504 K(o=0.5,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 47 ASN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= -0.259 (180deg=-0.334) USER MOD Single : A 56 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.5!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-1.3) USER MOD Single : A 80 SER OG : rot 180:sc=-0.00722 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -149:sc= 0.778 USER MOD Single : A 89 TYR OH : rot -47:sc= 1.21 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= -0.326 (180deg=-0.326) USER MOD Single : A 97 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.26) USER MOD Single : A 102 TYR OH : rot -139:sc= -0.0164 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 150:sc= -0.0505 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -125:sc= -0.24 (180deg=-1.35!) USER MOD Single : A 123 MET CE :methyl 167:sc= 0 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.139 -4.574 11.735 1.00 64.15 N ATOM 2 CA GLY A 1 19.817 -3.586 10.884 1.00 55.13 C ATOM 3 C GLY A 1 18.825 -2.908 9.954 1.00 11.52 C ATOM 4 O GLY A 1 17.629 -3.202 10.020 1.00 21.00 O ATOM 0 H1 GLY A 1 19.253 -4.308 12.734 1.00 64.15 H new ATOM 0 H2 GLY A 1 18.127 -4.601 11.497 1.00 64.15 H new ATOM 0 H3 GLY A 1 19.557 -5.513 11.577 1.00 64.15 H new ATOM 0 HA2 GLY A 1 20.309 -2.839 11.507 1.00 55.13 H new ATOM 0 HA3 GLY A 1 20.596 -4.076 10.299 1.00 55.13 H new ATOM 8 N MET A 2 19.299 -1.994 9.098 1.00 61.14 N ATOM 9 CA MET A 2 18.458 -1.308 8.123 1.00 60.43 C ATOM 10 C MET A 2 17.676 -2.334 7.306 1.00 74.03 C ATOM 11 O MET A 2 18.260 -3.267 6.744 1.00 11.50 O ATOM 12 CB MET A 2 19.260 -0.423 7.157 1.00 32.21 C ATOM 13 CG MET A 2 19.392 1.041 7.582 1.00 3.52 C ATOM 14 SD MET A 2 20.813 1.498 8.609 1.00 64.34 S ATOM 15 CE MET A 2 22.191 1.248 7.451 1.00 34.01 C ATOM 0 H MET A 2 20.279 -1.713 9.066 1.00 61.14 H new ATOM 0 HA MET A 2 17.788 -0.661 8.689 1.00 60.43 H new ATOM 0 HB2 MET A 2 20.259 -0.845 7.045 1.00 32.21 H new ATOM 0 HB3 MET A 2 18.787 -0.460 6.176 1.00 32.21 H new ATOM 0 HG2 MET A 2 19.422 1.650 6.679 1.00 3.52 H new ATOM 0 HG3 MET A 2 18.486 1.316 8.122 1.00 3.52 H new ATOM 0 HE1 MET A 2 23.102 1.672 7.873 1.00 34.01 H new ATOM 0 HE2 MET A 2 22.333 0.181 7.279 1.00 34.01 H new ATOM 0 HE3 MET A 2 21.966 1.741 6.505 1.00 34.01 H new ATOM 25 N ARG A 3 16.365 -2.136 7.192 1.00 53.15 N ATOM 26 CA ARG A 3 15.429 -3.006 6.482 1.00 15.20 C ATOM 27 C ARG A 3 15.501 -2.741 4.974 1.00 40.54 C ATOM 28 O ARG A 3 14.484 -2.518 4.323 1.00 71.35 O ATOM 29 CB ARG A 3 14.025 -2.802 7.098 1.00 60.02 C ATOM 30 CG ARG A 3 13.770 -3.670 8.340 1.00 74.04 C ATOM 31 CD ARG A 3 13.100 -4.993 7.966 1.00 21.32 C ATOM 32 NE ARG A 3 13.129 -5.960 9.067 1.00 3.30 N ATOM 33 CZ ARG A 3 14.103 -6.828 9.356 1.00 40.21 C ATOM 34 NH1 ARG A 3 15.241 -6.846 8.664 1.00 24.04 N ATOM 35 NH2 ARG A 3 13.892 -7.676 10.352 1.00 4.24 N ATOM 0 H ARG A 3 15.905 -1.328 7.611 1.00 53.15 H new ATOM 0 HA ARG A 3 15.687 -4.059 6.599 1.00 15.20 H new ATOM 0 HB2 ARG A 3 13.903 -1.753 7.366 1.00 60.02 H new ATOM 0 HB3 ARG A 3 13.270 -3.028 6.345 1.00 60.02 H new ATOM 0 HG2 ARG A 3 14.714 -3.869 8.847 1.00 74.04 H new ATOM 0 HG3 ARG A 3 13.139 -3.126 9.043 1.00 74.04 H new ATOM 0 HD2 ARG A 3 12.066 -4.805 7.677 1.00 21.32 H new ATOM 0 HD3 ARG A 3 13.602 -5.419 7.097 1.00 21.32 H new ATOM 0 HE ARG A 3 12.315 -5.972 9.681 1.00 3.30 H new ATOM 0 HH11 ARG A 3 15.382 -6.189 7.897 1.00 24.04 H new ATOM 0 HH12 ARG A 3 15.972 -7.517 8.901 1.00 24.04 H new ATOM 0 HH21 ARG A 3 13.011 -7.650 10.866 1.00 4.24 H new ATOM 0 HH22 ARG A 3 14.610 -8.355 10.605 1.00 4.24 H new ATOM 49 N ILE A 4 16.701 -2.716 4.402 1.00 22.44 N ATOM 50 CA ILE A 4 16.880 -2.513 2.972 1.00 75.44 C ATOM 51 C ILE A 4 16.647 -3.872 2.288 1.00 24.32 C ATOM 52 O ILE A 4 17.251 -4.867 2.714 1.00 0.51 O ATOM 53 CB ILE A 4 18.262 -1.902 2.682 1.00 63.13 C ATOM 54 CG1 ILE A 4 18.334 -0.476 3.276 1.00 62.05 C ATOM 55 CG2 ILE A 4 18.506 -1.827 1.162 1.00 20.10 C ATOM 56 CD1 ILE A 4 19.759 0.013 3.550 1.00 33.20 C ATOM 0 H ILE A 4 17.573 -2.836 4.917 1.00 22.44 H new ATOM 0 HA ILE A 4 16.164 -1.796 2.571 1.00 75.44 H new ATOM 0 HB ILE A 4 19.025 -2.533 3.137 1.00 63.13 H new ATOM 0 HG12 ILE A 4 17.849 0.218 2.589 1.00 62.05 H new ATOM 0 HG13 ILE A 4 17.767 -0.452 4.207 1.00 62.05 H new ATOM 0 HG21 ILE A 4 19.488 -1.393 0.972 1.00 20.10 H new ATOM 0 HG22 ILE A 4 18.465 -2.830 0.737 1.00 20.10 H new ATOM 0 HG23 ILE A 4 17.739 -1.205 0.701 1.00 20.10 H new ATOM 0 HD11 ILE A 4 19.725 1.020 3.965 1.00 33.20 H new ATOM 0 HD12 ILE A 4 20.243 -0.656 4.261 1.00 33.20 H new ATOM 0 HD13 ILE A 4 20.325 0.024 2.619 1.00 33.20 H new ATOM 68 N PRO A 5 15.760 -3.955 1.282 1.00 4.20 N ATOM 69 CA PRO A 5 15.495 -5.170 0.519 1.00 31.40 C ATOM 70 C PRO A 5 16.579 -5.455 -0.525 1.00 55.41 C ATOM 71 O PRO A 5 17.407 -4.602 -0.853 1.00 63.24 O ATOM 72 CB PRO A 5 14.137 -4.925 -0.157 1.00 51.45 C ATOM 73 CG PRO A 5 14.150 -3.424 -0.378 1.00 63.35 C ATOM 74 CD PRO A 5 14.869 -2.892 0.849 1.00 15.21 C ATOM 0 HA PRO A 5 15.489 -6.045 1.169 1.00 31.40 H new ATOM 0 HB2 PRO A 5 14.045 -5.473 -1.095 1.00 51.45 H new ATOM 0 HB3 PRO A 5 13.306 -5.235 0.476 1.00 51.45 H new ATOM 0 HG2 PRO A 5 14.673 -3.158 -1.297 1.00 63.35 H new ATOM 0 HG3 PRO A 5 13.140 -3.021 -0.458 1.00 63.35 H new ATOM 0 HD2 PRO A 5 15.428 -1.987 0.612 1.00 15.21 H new ATOM 0 HD3 PRO A 5 14.160 -2.632 1.635 1.00 15.21 H new ATOM 82 N SER A 6 16.497 -6.660 -1.091 1.00 34.32 N ATOM 83 CA SER A 6 17.289 -7.137 -2.220 1.00 22.22 C ATOM 84 C SER A 6 16.470 -7.995 -3.198 1.00 14.30 C ATOM 85 O SER A 6 17.045 -8.560 -4.129 1.00 72.15 O ATOM 86 CB SER A 6 18.471 -7.938 -1.685 1.00 4.30 C ATOM 87 OG SER A 6 19.482 -7.091 -1.182 1.00 14.42 O ATOM 0 H SER A 6 15.841 -7.365 -0.755 1.00 34.32 H new ATOM 0 HA SER A 6 17.634 -6.268 -2.781 1.00 22.22 H new ATOM 0 HB2 SER A 6 18.131 -8.609 -0.896 1.00 4.30 H new ATOM 0 HB3 SER A 6 18.879 -8.562 -2.480 1.00 4.30 H new ATOM 0 HG SER A 6 19.118 -6.191 -1.046 1.00 14.42 H new ATOM 93 N ALA A 7 15.152 -8.112 -2.994 1.00 52.21 N ATOM 94 CA ALA A 7 14.207 -8.492 -4.037 1.00 44.43 C ATOM 95 C ALA A 7 13.087 -7.453 -4.038 1.00 62.21 C ATOM 96 O ALA A 7 12.171 -7.528 -3.219 1.00 21.01 O ATOM 97 CB ALA A 7 13.687 -9.924 -3.839 1.00 44.24 C ATOM 0 H ALA A 7 14.713 -7.943 -2.089 1.00 52.21 H new ATOM 0 HA ALA A 7 14.696 -8.502 -5.011 1.00 44.43 H new ATOM 0 HB1 ALA A 7 12.985 -10.170 -4.636 1.00 44.24 H new ATOM 0 HB2 ALA A 7 14.524 -10.622 -3.864 1.00 44.24 H new ATOM 0 HB3 ALA A 7 13.182 -9.998 -2.876 1.00 44.24 H new ATOM 103 N ILE A 8 13.214 -6.451 -4.904 1.00 73.03 N ATOM 104 CA ILE A 8 12.126 -5.588 -5.351 1.00 74.33 C ATOM 105 C ILE A 8 11.498 -6.333 -6.523 1.00 54.41 C ATOM 106 O ILE A 8 12.107 -6.447 -7.590 1.00 22.34 O ATOM 107 CB ILE A 8 12.702 -4.211 -5.784 1.00 53.54 C ATOM 108 CG1 ILE A 8 13.444 -3.457 -4.663 1.00 51.45 C ATOM 109 CG2 ILE A 8 11.670 -3.278 -6.449 1.00 62.22 C ATOM 110 CD1 ILE A 8 12.595 -3.158 -3.431 1.00 51.45 C ATOM 0 H ILE A 8 14.110 -6.210 -5.328 1.00 73.03 H new ATOM 0 HA ILE A 8 11.388 -5.384 -4.575 1.00 74.33 H new ATOM 0 HB ILE A 8 13.437 -4.485 -6.541 1.00 53.54 H new ATOM 0 HG12 ILE A 8 14.309 -4.045 -4.358 1.00 51.45 H new ATOM 0 HG13 ILE A 8 13.823 -2.517 -5.064 1.00 51.45 H new ATOM 0 HG21 ILE A 8 12.151 -2.339 -6.721 1.00 62.22 H new ATOM 0 HG22 ILE A 8 11.272 -3.755 -7.345 1.00 62.22 H new ATOM 0 HG23 ILE A 8 10.856 -3.080 -5.752 1.00 62.22 H new ATOM 0 HD11 ILE A 8 13.197 -2.626 -2.694 1.00 51.45 H new ATOM 0 HD12 ILE A 8 11.743 -2.541 -3.717 1.00 51.45 H new ATOM 0 HD13 ILE A 8 12.237 -4.093 -3.000 1.00 51.45 H new ATOM 122 N GLN A 9 10.289 -6.850 -6.338 1.00 54.40 N ATOM 123 CA GLN A 9 9.454 -7.281 -7.438 1.00 61.11 C ATOM 124 C GLN A 9 8.185 -6.477 -7.381 1.00 41.40 C ATOM 125 O GLN A 9 7.201 -6.902 -6.811 1.00 32.11 O ATOM 126 CB GLN A 9 9.177 -8.787 -7.398 1.00 40.13 C ATOM 127 CG GLN A 9 10.236 -9.522 -8.198 1.00 20.01 C ATOM 128 CD GLN A 9 9.739 -10.890 -8.660 1.00 13.21 C ATOM 129 OE1 GLN A 9 9.386 -11.066 -9.827 1.00 24.35 O ATOM 130 NE2 GLN A 9 9.705 -11.866 -7.771 1.00 60.42 N ATOM 0 H GLN A 9 9.866 -6.980 -5.419 1.00 54.40 H new ATOM 0 HA GLN A 9 9.968 -7.108 -8.384 1.00 61.11 H new ATOM 0 HB2 GLN A 9 9.177 -9.139 -6.367 1.00 40.13 H new ATOM 0 HB3 GLN A 9 8.188 -8.996 -7.807 1.00 40.13 H new ATOM 0 HG2 GLN A 9 10.519 -8.925 -9.065 1.00 20.01 H new ATOM 0 HG3 GLN A 9 11.132 -9.646 -7.590 1.00 20.01 H new ATOM 0 HE21 GLN A 9 10.003 -11.692 -6.811 1.00 60.42 H new ATOM 0 HE22 GLN A 9 9.381 -12.794 -8.044 1.00 60.42 H new ATOM 139 N LEU A 10 8.182 -5.319 -8.022 1.00 14.14 N ATOM 140 CA LEU A 10 7.005 -4.446 -7.929 1.00 73.12 C ATOM 141 C LEU A 10 5.802 -5.024 -8.736 1.00 31.13 C ATOM 142 O LEU A 10 4.710 -4.462 -8.681 1.00 33.12 O ATOM 143 CB LEU A 10 7.393 -3.022 -8.396 1.00 21.02 C ATOM 144 CG LEU A 10 7.408 -2.727 -9.917 1.00 40.31 C ATOM 145 CD1 LEU A 10 6.062 -2.257 -10.487 1.00 2.23 C ATOM 146 CD2 LEU A 10 8.390 -1.589 -10.223 1.00 74.11 C ATOM 0 H LEU A 10 8.948 -4.964 -8.595 1.00 14.14 H new ATOM 0 HA LEU A 10 6.675 -4.393 -6.892 1.00 73.12 H new ATOM 0 HB2 LEU A 10 6.704 -2.319 -7.928 1.00 21.02 H new ATOM 0 HB3 LEU A 10 8.387 -2.803 -8.005 1.00 21.02 H new ATOM 0 HG LEU A 10 7.681 -3.679 -10.373 1.00 40.31 H new ATOM 0 HD11 LEU A 10 6.164 -2.074 -11.557 1.00 2.23 H new ATOM 0 HD12 LEU A 10 5.308 -3.026 -10.321 1.00 2.23 H new ATOM 0 HD13 LEU A 10 5.757 -1.337 -9.989 1.00 2.23 H new ATOM 0 HD21 LEU A 10 8.393 -1.389 -11.295 1.00 74.11 H new ATOM 0 HD22 LEU A 10 8.084 -0.690 -9.687 1.00 74.11 H new ATOM 0 HD23 LEU A 10 9.392 -1.877 -9.905 1.00 74.11 H new ATOM 158 N HIS A 11 6.058 -6.068 -9.550 1.00 52.31 N ATOM 159 CA HIS A 11 5.247 -6.759 -10.562 1.00 74.34 C ATOM 160 C HIS A 11 4.480 -5.789 -11.436 1.00 74.30 C ATOM 161 O HIS A 11 3.276 -5.634 -11.243 1.00 62.43 O ATOM 162 CB HIS A 11 4.359 -7.918 -10.067 1.00 75.23 C ATOM 163 CG HIS A 11 5.134 -9.126 -9.621 1.00 1.13 C ATOM 164 ND1 HIS A 11 5.444 -10.205 -10.421 1.00 41.11 N ATOM 165 CD2 HIS A 11 5.650 -9.360 -8.375 1.00 51.41 C ATOM 166 CE1 HIS A 11 6.124 -11.082 -9.668 1.00 33.23 C ATOM 167 NE2 HIS A 11 6.273 -10.613 -8.418 1.00 22.41 N ATOM 0 H HIS A 11 6.978 -6.507 -9.500 1.00 52.31 H new ATOM 0 HA HIS A 11 5.995 -7.265 -11.172 1.00 74.34 H new ATOM 0 HB2 HIS A 11 3.745 -7.565 -9.238 1.00 75.23 H new ATOM 0 HB3 HIS A 11 3.678 -8.209 -10.867 1.00 75.23 H new ATOM 0 HD2 HIS A 11 5.588 -8.702 -7.520 1.00 51.41 H new ATOM 0 HE1 HIS A 11 6.499 -12.032 -10.018 1.00 33.23 H new ATOM 0 HE2 HIS A 11 6.749 -11.081 -7.647 1.00 22.41 H new ATOM 175 N LYS A 12 5.133 -5.155 -12.419 1.00 72.12 N ATOM 176 CA LYS A 12 4.450 -4.126 -13.187 1.00 73.21 C ATOM 177 C LYS A 12 3.196 -4.656 -13.905 1.00 51.40 C ATOM 178 O LYS A 12 2.244 -3.896 -14.068 1.00 64.20 O ATOM 179 CB LYS A 12 5.414 -3.409 -14.138 1.00 40.23 C ATOM 180 CG LYS A 12 4.925 -1.968 -14.342 1.00 11.32 C ATOM 181 CD LYS A 12 5.337 -1.354 -15.673 1.00 22.02 C ATOM 182 CE LYS A 12 6.758 -0.788 -15.733 1.00 61.24 C ATOM 183 NZ LYS A 12 7.665 -1.596 -16.578 1.00 22.40 N ATOM 0 H LYS A 12 6.100 -5.333 -12.689 1.00 72.12 H new ATOM 0 HA LYS A 12 4.089 -3.383 -12.476 1.00 73.21 H new ATOM 0 HB2 LYS A 12 6.423 -3.411 -13.725 1.00 40.23 H new ATOM 0 HB3 LYS A 12 5.460 -3.931 -15.094 1.00 40.23 H new ATOM 0 HG2 LYS A 12 3.838 -1.951 -14.267 1.00 11.32 H new ATOM 0 HG3 LYS A 12 5.310 -1.347 -13.533 1.00 11.32 H new ATOM 0 HD2 LYS A 12 5.235 -2.113 -16.449 1.00 22.02 H new ATOM 0 HD3 LYS A 12 4.637 -0.554 -15.915 1.00 22.02 H new ATOM 0 HE2 LYS A 12 6.722 0.231 -16.119 1.00 61.24 H new ATOM 0 HE3 LYS A 12 7.164 -0.732 -14.723 1.00 61.24 H new ATOM 0 HZ1 LYS A 12 8.612 -1.166 -16.581 1.00 22.40 H new ATOM 0 HZ2 LYS A 12 7.725 -2.562 -16.198 1.00 22.40 H new ATOM 0 HZ3 LYS A 12 7.296 -1.629 -17.550 1.00 22.40 H new ATOM 197 N ALA A 13 3.163 -5.946 -14.263 1.00 62.01 N ATOM 198 CA ALA A 13 2.018 -6.612 -14.876 1.00 2.21 C ATOM 199 C ALA A 13 0.742 -6.486 -14.027 1.00 24.31 C ATOM 200 O ALA A 13 -0.145 -5.695 -14.341 1.00 2.33 O ATOM 201 CB ALA A 13 2.384 -8.077 -15.137 1.00 1.21 C ATOM 0 H ALA A 13 3.959 -6.570 -14.128 1.00 62.01 H new ATOM 0 HA ALA A 13 1.790 -6.119 -15.821 1.00 2.21 H new ATOM 0 HB1 ALA A 13 1.537 -8.588 -15.595 1.00 1.21 H new ATOM 0 HB2 ALA A 13 3.242 -8.124 -15.808 1.00 1.21 H new ATOM 0 HB3 ALA A 13 2.634 -8.563 -14.194 1.00 1.21 H new ATOM 207 N SER A 14 0.610 -7.295 -12.972 1.00 43.10 N ATOM 208 CA SER A 14 -0.570 -7.324 -12.105 1.00 0.21 C ATOM 209 C SER A 14 -0.468 -6.343 -10.930 1.00 24.12 C ATOM 210 O SER A 14 -1.334 -6.331 -10.059 1.00 55.24 O ATOM 211 CB SER A 14 -0.850 -8.764 -11.667 1.00 23.35 C ATOM 212 OG SER A 14 -1.956 -9.267 -12.406 1.00 41.30 O ATOM 0 H SER A 14 1.332 -7.959 -12.692 1.00 43.10 H new ATOM 0 HA SER A 14 -1.429 -6.974 -12.678 1.00 0.21 H new ATOM 0 HB2 SER A 14 0.029 -9.386 -11.835 1.00 23.35 H new ATOM 0 HB3 SER A 14 -1.065 -8.797 -10.599 1.00 23.35 H new ATOM 0 HG SER A 14 -2.140 -10.190 -12.132 1.00 41.30 H new ATOM 218 N LYS A 15 0.533 -5.461 -10.954 1.00 75.23 N ATOM 219 CA LYS A 15 0.682 -4.297 -10.092 1.00 13.22 C ATOM 220 C LYS A 15 0.815 -4.706 -8.626 1.00 43.13 C ATOM 221 O LYS A 15 0.258 -4.053 -7.742 1.00 75.33 O ATOM 222 CB LYS A 15 -0.416 -3.252 -10.390 1.00 4.22 C ATOM 223 CG LYS A 15 -0.712 -3.024 -11.883 1.00 74.24 C ATOM 224 CD LYS A 15 -2.133 -3.478 -12.247 1.00 53.20 C ATOM 225 CE LYS A 15 -2.518 -2.794 -13.546 1.00 43.50 C ATOM 226 NZ LYS A 15 -3.947 -2.960 -13.879 1.00 0.15 N ATOM 0 H LYS A 15 1.304 -5.549 -11.616 1.00 75.23 H new ATOM 0 HA LYS A 15 1.621 -3.792 -10.318 1.00 13.22 H new ATOM 0 HB2 LYS A 15 -1.336 -3.564 -9.897 1.00 4.22 H new ATOM 0 HB3 LYS A 15 -0.122 -2.302 -9.945 1.00 4.22 H new ATOM 0 HG2 LYS A 15 -0.593 -1.967 -12.122 1.00 74.24 H new ATOM 0 HG3 LYS A 15 0.012 -3.571 -12.487 1.00 74.24 H new ATOM 0 HD2 LYS A 15 -2.171 -4.562 -12.360 1.00 53.20 H new ATOM 0 HD3 LYS A 15 -2.833 -3.215 -11.454 1.00 53.20 H new ATOM 0 HE2 LYS A 15 -2.288 -1.731 -13.474 1.00 43.50 H new ATOM 0 HE3 LYS A 15 -1.912 -3.197 -14.357 1.00 43.50 H new ATOM 0 HZ1 LYS A 15 -4.154 -2.473 -14.775 1.00 0.15 H new ATOM 0 HZ2 LYS A 15 -4.165 -3.972 -13.977 1.00 0.15 H new ATOM 0 HZ3 LYS A 15 -4.530 -2.552 -13.121 1.00 0.15 H new ATOM 240 N THR A 16 1.591 -5.752 -8.353 1.00 61.34 N ATOM 241 CA THR A 16 1.721 -6.330 -7.022 1.00 53.24 C ATOM 242 C THR A 16 3.134 -6.076 -6.533 1.00 63.40 C ATOM 243 O THR A 16 4.081 -6.694 -7.012 1.00 61.30 O ATOM 244 CB THR A 16 1.433 -7.836 -7.084 1.00 31.04 C ATOM 245 OG1 THR A 16 0.164 -8.079 -7.648 1.00 33.43 O ATOM 246 CG2 THR A 16 1.512 -8.543 -5.733 1.00 22.34 C ATOM 0 H THR A 16 2.153 -6.226 -9.060 1.00 61.34 H new ATOM 0 HA THR A 16 1.008 -5.876 -6.334 1.00 53.24 H new ATOM 0 HB THR A 16 2.223 -8.249 -7.712 1.00 31.04 H new ATOM 0 HG1 THR A 16 -0.000 -9.045 -7.680 1.00 33.43 H new ATOM 0 HG21 THR A 16 1.296 -9.603 -5.864 1.00 22.34 H new ATOM 0 HG22 THR A 16 2.513 -8.425 -5.319 1.00 22.34 H new ATOM 0 HG23 THR A 16 0.783 -8.106 -5.050 1.00 22.34 H new ATOM 254 N LEU A 17 3.278 -5.151 -5.596 1.00 22.05 N ATOM 255 CA LEU A 17 4.518 -4.907 -4.902 1.00 4.12 C ATOM 256 C LEU A 17 4.849 -6.153 -4.093 1.00 34.11 C ATOM 257 O LEU A 17 4.158 -6.460 -3.129 1.00 34.44 O ATOM 258 CB LEU A 17 4.361 -3.649 -4.037 1.00 44.44 C ATOM 259 CG LEU A 17 5.659 -3.111 -3.416 1.00 74.22 C ATOM 260 CD1 LEU A 17 5.435 -1.807 -2.634 1.00 11.52 C ATOM 261 CD2 LEU A 17 6.378 -4.108 -2.609 1.00 73.02 C ATOM 0 H LEU A 17 2.517 -4.541 -5.296 1.00 22.05 H new ATOM 0 HA LEU A 17 5.347 -4.720 -5.585 1.00 4.12 H new ATOM 0 HB2 LEU A 17 3.917 -2.862 -4.647 1.00 44.44 H new ATOM 0 HB3 LEU A 17 3.657 -3.866 -3.234 1.00 44.44 H new ATOM 0 HG LEU A 17 6.308 -2.879 -4.261 1.00 74.22 H new ATOM 0 HD11 LEU A 17 6.382 -1.467 -2.214 1.00 11.52 H new ATOM 0 HD12 LEU A 17 5.040 -1.044 -3.305 1.00 11.52 H new ATOM 0 HD13 LEU A 17 4.724 -1.984 -1.827 1.00 11.52 H new ATOM 0 HD21 LEU A 17 7.284 -3.661 -2.201 1.00 73.02 H new ATOM 0 HD22 LEU A 17 5.739 -4.444 -1.792 1.00 73.02 H new ATOM 0 HD23 LEU A 17 6.644 -4.960 -3.235 1.00 73.02 H new ATOM 273 N THR A 18 5.950 -6.813 -4.414 1.00 0.34 N ATOM 274 CA THR A 18 6.426 -7.984 -3.711 1.00 14.25 C ATOM 275 C THR A 18 7.779 -7.637 -3.110 1.00 35.05 C ATOM 276 O THR A 18 8.578 -6.896 -3.695 1.00 51.42 O ATOM 277 CB THR A 18 6.443 -9.192 -4.660 1.00 41.42 C ATOM 278 OG1 THR A 18 5.124 -9.462 -5.095 1.00 35.15 O ATOM 279 CG2 THR A 18 7.044 -10.451 -4.039 1.00 12.21 C ATOM 0 H THR A 18 6.550 -6.538 -5.192 1.00 0.34 H new ATOM 0 HA THR A 18 5.766 -8.274 -2.893 1.00 14.25 H new ATOM 0 HB THR A 18 7.086 -8.924 -5.498 1.00 41.42 H new ATOM 0 HG1 THR A 18 4.953 -10.425 -5.042 1.00 35.15 H new ATOM 0 HG21 THR A 18 7.022 -11.262 -4.767 1.00 12.21 H new ATOM 0 HG22 THR A 18 8.075 -10.255 -3.745 1.00 12.21 H new ATOM 0 HG23 THR A 18 6.464 -10.736 -3.161 1.00 12.21 H new ATOM 287 N LEU A 19 8.001 -8.149 -1.904 1.00 40.12 N ATOM 288 CA LEU A 19 9.130 -7.870 -1.036 1.00 13.24 C ATOM 289 C LEU A 19 9.428 -9.168 -0.292 1.00 74.13 C ATOM 290 O LEU A 19 8.492 -9.905 0.036 1.00 41.42 O ATOM 291 CB LEU A 19 8.704 -6.780 -0.033 1.00 24.33 C ATOM 292 CG LEU A 19 8.612 -5.343 -0.588 1.00 62.42 C ATOM 293 CD1 LEU A 19 7.991 -4.476 0.524 1.00 41.52 C ATOM 294 CD2 LEU A 19 9.933 -4.728 -1.058 1.00 73.21 C ATOM 0 H LEU A 19 7.352 -8.813 -1.483 1.00 40.12 H new ATOM 0 HA LEU A 19 10.006 -7.527 -1.587 1.00 13.24 H new ATOM 0 HB2 LEU A 19 7.731 -7.052 0.376 1.00 24.33 H new ATOM 0 HB3 LEU A 19 9.411 -6.782 0.797 1.00 24.33 H new ATOM 0 HG LEU A 19 8.005 -5.382 -1.493 1.00 62.42 H new ATOM 0 HD11 LEU A 19 7.905 -3.446 0.177 1.00 41.52 H new ATOM 0 HD12 LEU A 19 7.001 -4.859 0.774 1.00 41.52 H new ATOM 0 HD13 LEU A 19 8.627 -4.509 1.409 1.00 41.52 H new ATOM 0 HD21 LEU A 19 9.753 -3.719 -1.428 1.00 73.21 H new ATOM 0 HD22 LEU A 19 10.633 -4.689 -0.224 1.00 73.21 H new ATOM 0 HD23 LEU A 19 10.354 -5.338 -1.857 1.00 73.21 H new ATOM 306 N ARG A 20 10.693 -9.427 0.054 1.00 35.02 N ATOM 307 CA ARG A 20 11.085 -10.632 0.791 1.00 72.23 C ATOM 308 C ARG A 20 11.594 -10.267 2.183 1.00 32.25 C ATOM 309 O ARG A 20 12.778 -9.952 2.319 1.00 23.42 O ATOM 310 CB ARG A 20 12.092 -11.451 -0.036 1.00 40.42 C ATOM 311 CG ARG A 20 12.347 -12.819 0.629 1.00 41.50 C ATOM 312 CD ARG A 20 13.262 -13.718 -0.195 1.00 55.43 C ATOM 313 NE ARG A 20 14.606 -13.145 -0.337 1.00 14.53 N ATOM 314 CZ ARG A 20 15.301 -13.029 -1.470 1.00 32.25 C ATOM 315 NH1 ARG A 20 14.888 -13.562 -2.617 1.00 34.25 N ATOM 316 NH2 ARG A 20 16.428 -12.337 -1.443 1.00 71.01 N ATOM 0 H ARG A 20 11.473 -8.808 -0.169 1.00 35.02 H new ATOM 0 HA ARG A 20 10.215 -11.271 0.946 1.00 72.23 H new ATOM 0 HB2 ARG A 20 11.710 -11.596 -1.046 1.00 40.42 H new ATOM 0 HB3 ARG A 20 13.030 -10.903 -0.126 1.00 40.42 H new ATOM 0 HG2 ARG A 20 12.790 -12.662 1.613 1.00 41.50 H new ATOM 0 HG3 ARG A 20 11.394 -13.325 0.785 1.00 41.50 H new ATOM 0 HD2 ARG A 20 13.333 -14.697 0.279 1.00 55.43 H new ATOM 0 HD3 ARG A 20 12.827 -13.873 -1.182 1.00 55.43 H new ATOM 0 HE ARG A 20 15.052 -12.802 0.514 1.00 14.53 H new ATOM 0 HH11 ARG A 20 14.011 -14.082 -2.651 1.00 34.25 H new ATOM 0 HH12 ARG A 20 15.448 -13.451 -3.462 1.00 34.25 H new ATOM 0 HH21 ARG A 20 16.743 -11.910 -0.572 1.00 71.01 H new ATOM 0 HH22 ARG A 20 16.982 -12.230 -2.293 1.00 71.01 H new ATOM 330 N TYR A 21 10.717 -10.188 3.187 1.00 72.41 N ATOM 331 CA TYR A 21 11.047 -9.915 4.578 1.00 72.31 C ATOM 332 C TYR A 21 11.883 -11.091 5.093 1.00 64.10 C ATOM 333 O TYR A 21 11.356 -12.063 5.632 1.00 23.12 O ATOM 334 CB TYR A 21 9.816 -9.673 5.467 1.00 11.23 C ATOM 335 CG TYR A 21 10.152 -9.078 6.835 1.00 22.42 C ATOM 336 CD1 TYR A 21 10.593 -9.894 7.898 1.00 64.24 C ATOM 337 CD2 TYR A 21 10.022 -7.694 7.057 1.00 61.41 C ATOM 338 CE1 TYR A 21 10.861 -9.344 9.166 1.00 34.22 C ATOM 339 CE2 TYR A 21 10.256 -7.136 8.325 1.00 34.23 C ATOM 340 CZ TYR A 21 10.661 -7.964 9.394 1.00 72.34 C ATOM 341 OH TYR A 21 10.927 -7.417 10.613 1.00 24.34 O ATOM 0 H TYR A 21 9.716 -10.319 3.041 1.00 72.41 H new ATOM 0 HA TYR A 21 11.610 -8.983 4.626 1.00 72.31 H new ATOM 0 HB2 TYR A 21 9.130 -9.003 4.948 1.00 11.23 H new ATOM 0 HB3 TYR A 21 9.291 -10.618 5.611 1.00 11.23 H new ATOM 0 HD1 TYR A 21 10.727 -10.954 7.737 1.00 64.24 H new ATOM 0 HD2 TYR A 21 9.737 -7.050 6.238 1.00 61.41 H new ATOM 0 HE1 TYR A 21 11.219 -9.977 9.964 1.00 34.22 H new ATOM 0 HE2 TYR A 21 10.126 -6.075 8.482 1.00 34.23 H new ATOM 0 HH TYR A 21 11.015 -8.130 11.279 1.00 24.34 H new ATOM 351 N GLY A 22 13.198 -11.014 4.932 1.00 4.15 N ATOM 352 CA GLY A 22 14.102 -12.024 5.435 1.00 41.33 C ATOM 353 C GLY A 22 14.059 -13.260 4.570 1.00 2.45 C ATOM 354 O GLY A 22 14.674 -13.280 3.494 1.00 72.43 O ATOM 0 H GLY A 22 13.662 -10.246 4.447 1.00 4.15 H new ATOM 0 HA2 GLY A 22 15.117 -11.629 5.462 1.00 41.33 H new ATOM 0 HA3 GLY A 22 13.833 -12.282 6.459 1.00 41.33 H new ATOM 358 N GLU A 23 13.356 -14.279 5.048 1.00 1.23 N ATOM 359 CA GLU A 23 13.146 -15.499 4.305 1.00 13.13 C ATOM 360 C GLU A 23 11.755 -15.533 3.662 1.00 32.21 C ATOM 361 O GLU A 23 11.604 -16.172 2.621 1.00 64.43 O ATOM 362 CB GLU A 23 13.537 -16.709 5.160 1.00 73.32 C ATOM 363 CG GLU A 23 12.344 -17.257 5.921 1.00 74.13 C ATOM 364 CD GLU A 23 11.580 -18.351 5.161 1.00 15.24 C ATOM 365 OE1 GLU A 23 12.213 -19.310 4.654 1.00 41.53 O ATOM 366 OE2 GLU A 23 10.333 -18.314 5.144 1.00 3.33 O ATOM 0 H GLU A 23 12.916 -14.275 5.968 1.00 1.23 H new ATOM 0 HA GLU A 23 13.814 -15.543 3.445 1.00 13.13 H new ATOM 0 HB2 GLU A 23 13.953 -17.489 4.522 1.00 73.32 H new ATOM 0 HB3 GLU A 23 14.319 -16.422 5.863 1.00 73.32 H new ATOM 0 HG2 GLU A 23 12.686 -17.660 6.875 1.00 74.13 H new ATOM 0 HG3 GLU A 23 11.661 -16.438 6.147 1.00 74.13 H new ATOM 373 N ASP A 24 10.784 -14.824 4.248 1.00 51.23 N ATOM 374 CA ASP A 24 9.370 -14.929 3.881 1.00 52.33 C ATOM 375 C ASP A 24 9.146 -13.989 2.693 1.00 33.15 C ATOM 376 O ASP A 24 9.869 -12.996 2.581 1.00 51.10 O ATOM 377 CB ASP A 24 8.479 -14.459 5.054 1.00 44.21 C ATOM 378 CG ASP A 24 8.220 -15.477 6.180 1.00 63.13 C ATOM 379 OD1 ASP A 24 9.049 -15.573 7.121 1.00 4.53 O ATOM 380 OD2 ASP A 24 7.108 -16.059 6.196 1.00 11.42 O ATOM 0 H ASP A 24 10.961 -14.155 4.997 1.00 51.23 H new ATOM 0 HA ASP A 24 9.117 -15.961 3.638 1.00 52.33 H new ATOM 0 HB2 ASP A 24 8.937 -13.574 5.495 1.00 44.21 H new ATOM 0 HB3 ASP A 24 7.516 -14.150 4.647 1.00 44.21 H new ATOM 385 N SER A 25 8.087 -14.150 1.890 1.00 1.23 N ATOM 386 CA SER A 25 7.714 -13.238 0.807 1.00 60.12 C ATOM 387 C SER A 25 6.243 -12.804 0.886 1.00 51.33 C ATOM 388 O SER A 25 5.344 -13.644 0.951 1.00 31.24 O ATOM 389 CB SER A 25 8.065 -13.843 -0.555 1.00 32.32 C ATOM 390 OG SER A 25 8.416 -15.216 -0.540 1.00 54.21 O ATOM 0 H SER A 25 7.450 -14.941 1.980 1.00 1.23 H new ATOM 0 HA SER A 25 8.301 -12.327 0.929 1.00 60.12 H new ATOM 0 HB2 SER A 25 7.213 -13.711 -1.222 1.00 32.32 H new ATOM 0 HB3 SER A 25 8.894 -13.278 -0.981 1.00 32.32 H new ATOM 0 HG SER A 25 8.621 -15.511 -1.452 1.00 54.21 H new ATOM 396 N TYR A 26 6.001 -11.488 0.888 1.00 21.33 N ATOM 397 CA TYR A 26 4.683 -10.864 0.920 1.00 60.24 C ATOM 398 C TYR A 26 4.474 -10.051 -0.359 1.00 42.42 C ATOM 399 O TYR A 26 5.419 -9.437 -0.864 1.00 61.10 O ATOM 400 CB TYR A 26 4.552 -10.024 2.196 1.00 24.34 C ATOM 401 CG TYR A 26 4.986 -10.737 3.474 1.00 34.41 C ATOM 402 CD1 TYR A 26 4.607 -12.072 3.724 1.00 1.54 C ATOM 403 CD2 TYR A 26 5.867 -10.100 4.365 1.00 52.51 C ATOM 404 CE1 TYR A 26 5.041 -12.738 4.883 1.00 32.35 C ATOM 405 CE2 TYR A 26 6.346 -10.779 5.502 1.00 12.41 C ATOM 406 CZ TYR A 26 5.893 -12.082 5.793 1.00 44.33 C ATOM 407 OH TYR A 26 6.324 -12.719 6.910 1.00 21.11 O ATOM 0 H TYR A 26 6.756 -10.802 0.866 1.00 21.33 H new ATOM 0 HA TYR A 26 3.895 -11.617 0.950 1.00 60.24 H new ATOM 0 HB2 TYR A 26 5.147 -9.118 2.081 1.00 24.34 H new ATOM 0 HB3 TYR A 26 3.513 -9.712 2.305 1.00 24.34 H new ATOM 0 HD1 TYR A 26 3.976 -12.589 3.016 1.00 1.54 H new ATOM 0 HD2 TYR A 26 6.179 -9.083 4.176 1.00 52.51 H new ATOM 0 HE1 TYR A 26 4.722 -13.752 5.076 1.00 32.35 H new ATOM 0 HE2 TYR A 26 7.062 -10.300 6.153 1.00 12.41 H new ATOM 0 HH TYR A 26 6.904 -12.120 7.425 1.00 21.11 H new ATOM 417 N ASP A 27 3.241 -10.053 -0.875 1.00 15.22 N ATOM 418 CA ASP A 27 2.908 -9.723 -2.265 1.00 14.14 C ATOM 419 C ASP A 27 1.698 -8.784 -2.244 1.00 60.00 C ATOM 420 O ASP A 27 0.547 -9.216 -2.368 1.00 1.15 O ATOM 421 CB ASP A 27 2.610 -11.015 -3.056 1.00 34.33 C ATOM 422 CG ASP A 27 3.848 -11.861 -3.353 1.00 31.01 C ATOM 423 OD1 ASP A 27 4.363 -12.529 -2.429 1.00 73.11 O ATOM 424 OD2 ASP A 27 4.312 -11.867 -4.522 1.00 20.02 O ATOM 0 H ASP A 27 2.420 -10.292 -0.319 1.00 15.22 H new ATOM 0 HA ASP A 27 3.743 -9.227 -2.761 1.00 14.14 H new ATOM 0 HB2 ASP A 27 1.897 -11.617 -2.493 1.00 34.33 H new ATOM 0 HB3 ASP A 27 2.129 -10.750 -3.998 1.00 34.33 H new ATOM 429 N LEU A 28 1.937 -7.506 -1.965 1.00 24.13 N ATOM 430 CA LEU A 28 0.929 -6.491 -1.690 1.00 0.22 C ATOM 431 C LEU A 28 0.386 -5.909 -3.005 1.00 15.12 C ATOM 432 O LEU A 28 1.165 -5.655 -3.920 1.00 63.04 O ATOM 433 CB LEU A 28 1.585 -5.352 -0.881 1.00 1.42 C ATOM 434 CG LEU A 28 2.366 -5.820 0.371 1.00 11.32 C ATOM 435 CD1 LEU A 28 3.883 -5.907 0.161 1.00 75.01 C ATOM 436 CD2 LEU A 28 2.089 -4.880 1.545 1.00 34.15 C ATOM 0 H LEU A 28 2.886 -7.134 -1.923 1.00 24.13 H new ATOM 0 HA LEU A 28 0.109 -6.942 -1.131 1.00 0.22 H new ATOM 0 HB2 LEU A 28 2.265 -4.805 -1.534 1.00 1.42 H new ATOM 0 HB3 LEU A 28 0.810 -4.652 -0.569 1.00 1.42 H new ATOM 0 HG LEU A 28 2.010 -6.829 0.580 1.00 11.32 H new ATOM 0 HD11 LEU A 28 4.359 -6.242 1.083 1.00 75.01 H new ATOM 0 HD12 LEU A 28 4.100 -6.616 -0.638 1.00 75.01 H new ATOM 0 HD13 LEU A 28 4.270 -4.925 -0.111 1.00 75.01 H new ATOM 0 HD21 LEU A 28 2.643 -5.218 2.421 1.00 34.15 H new ATOM 0 HD22 LEU A 28 2.404 -3.870 1.284 1.00 34.15 H new ATOM 0 HD23 LEU A 28 1.022 -4.881 1.768 1.00 34.15 H new ATOM 448 N PRO A 29 -0.907 -5.568 -3.116 1.00 0.24 N ATOM 449 CA PRO A 29 -1.440 -4.913 -4.314 1.00 61.10 C ATOM 450 C PRO A 29 -1.019 -3.441 -4.387 1.00 63.34 C ATOM 451 O PRO A 29 -0.569 -2.863 -3.397 1.00 21.04 O ATOM 452 CB PRO A 29 -2.956 -5.023 -4.194 1.00 62.33 C ATOM 453 CG PRO A 29 -3.188 -5.120 -2.696 1.00 51.33 C ATOM 454 CD PRO A 29 -1.957 -5.833 -2.149 1.00 40.13 C ATOM 0 HA PRO A 29 -1.060 -5.384 -5.220 1.00 61.10 H new ATOM 0 HB2 PRO A 29 -3.456 -4.154 -4.622 1.00 62.33 H new ATOM 0 HB3 PRO A 29 -3.337 -5.900 -4.717 1.00 62.33 H new ATOM 0 HG2 PRO A 29 -3.302 -4.132 -2.250 1.00 51.33 H new ATOM 0 HG3 PRO A 29 -4.098 -5.677 -2.473 1.00 51.33 H new ATOM 0 HD2 PRO A 29 -1.689 -5.456 -1.162 1.00 40.13 H new ATOM 0 HD3 PRO A 29 -2.135 -6.903 -2.044 1.00 40.13 H new ATOM 462 N ALA A 30 -1.233 -2.785 -5.531 1.00 52.13 N ATOM 463 CA ALA A 30 -1.062 -1.343 -5.662 1.00 15.35 C ATOM 464 C ALA A 30 -2.055 -0.626 -4.745 1.00 51.11 C ATOM 465 O ALA A 30 -1.710 0.359 -4.086 1.00 73.01 O ATOM 466 CB ALA A 30 -1.297 -0.887 -7.107 1.00 75.13 C ATOM 0 H ALA A 30 -1.530 -3.244 -6.392 1.00 52.13 H new ATOM 0 HA ALA A 30 -0.039 -1.095 -5.380 1.00 15.35 H new ATOM 0 HB1 ALA A 30 -1.163 0.193 -7.174 1.00 75.13 H new ATOM 0 HB2 ALA A 30 -0.584 -1.383 -7.766 1.00 75.13 H new ATOM 0 HB3 ALA A 30 -2.312 -1.146 -7.410 1.00 75.13 H new ATOM 472 N GLU A 31 -3.291 -1.142 -4.711 1.00 41.54 N ATOM 473 CA GLU A 31 -4.414 -0.554 -3.992 1.00 15.55 C ATOM 474 C GLU A 31 -4.134 -0.424 -2.489 1.00 71.34 C ATOM 475 O GLU A 31 -4.704 0.443 -1.827 1.00 53.10 O ATOM 476 CB GLU A 31 -5.701 -1.359 -4.260 1.00 34.15 C ATOM 477 CG GLU A 31 -5.952 -2.527 -3.290 1.00 3.44 C ATOM 478 CD GLU A 31 -7.218 -3.315 -3.603 1.00 0.33 C ATOM 479 OE1 GLU A 31 -8.270 -2.967 -3.036 1.00 51.43 O ATOM 480 OE2 GLU A 31 -7.157 -4.358 -4.288 1.00 64.34 O ATOM 0 H GLU A 31 -3.537 -2.004 -5.198 1.00 41.54 H new ATOM 0 HA GLU A 31 -4.556 0.459 -4.368 1.00 15.55 H new ATOM 0 HB2 GLU A 31 -6.552 -0.680 -4.215 1.00 34.15 H new ATOM 0 HB3 GLU A 31 -5.661 -1.752 -5.276 1.00 34.15 H new ATOM 0 HG2 GLU A 31 -5.097 -3.202 -3.318 1.00 3.44 H new ATOM 0 HG3 GLU A 31 -6.018 -2.138 -2.274 1.00 3.44 H new ATOM 487 N PHE A 32 -3.269 -1.291 -1.945 1.00 15.21 N ATOM 488 CA PHE A 32 -2.816 -1.205 -0.569 1.00 61.20 C ATOM 489 C PHE A 32 -1.998 0.072 -0.415 1.00 60.42 C ATOM 490 O PHE A 32 -2.437 0.991 0.271 1.00 3.42 O ATOM 491 CB PHE A 32 -2.034 -2.471 -0.185 1.00 35.43 C ATOM 492 CG PHE A 32 -1.321 -2.418 1.158 1.00 3.24 C ATOM 493 CD1 PHE A 32 -2.020 -2.759 2.346 1.00 4.14 C ATOM 494 CD2 PHE A 32 0.046 -2.047 1.226 1.00 33.41 C ATOM 495 CE1 PHE A 32 -1.370 -2.781 3.592 1.00 22.13 C ATOM 496 CE2 PHE A 32 0.687 -2.100 2.477 1.00 31.43 C ATOM 497 CZ PHE A 32 0.000 -2.490 3.641 1.00 42.12 C ATOM 0 H PHE A 32 -2.867 -2.074 -2.460 1.00 15.21 H new ATOM 0 HA PHE A 32 -3.660 -1.153 0.119 1.00 61.20 H new ATOM 0 HB2 PHE A 32 -2.724 -3.315 -0.177 1.00 35.43 H new ATOM 0 HB3 PHE A 32 -1.295 -2.670 -0.961 1.00 35.43 H new ATOM 0 HD1 PHE A 32 -3.070 -3.006 2.291 1.00 4.14 H new ATOM 0 HD2 PHE A 32 0.580 -1.732 0.342 1.00 33.41 H new ATOM 0 HE1 PHE A 32 -1.915 -3.017 4.494 1.00 22.13 H new ATOM 0 HE2 PHE A 32 1.732 -1.835 2.546 1.00 31.43 H new ATOM 0 HZ PHE A 32 0.532 -2.566 4.578 1.00 42.12 H new ATOM 507 N LEU A 33 -0.817 0.155 -1.034 1.00 44.53 N ATOM 508 CA LEU A 33 0.158 1.161 -0.656 1.00 44.52 C ATOM 509 C LEU A 33 -0.353 2.578 -0.830 1.00 34.40 C ATOM 510 O LEU A 33 -0.062 3.406 0.022 1.00 22.32 O ATOM 511 CB LEU A 33 1.451 0.993 -1.442 1.00 2.42 C ATOM 512 CG LEU A 33 2.265 -0.239 -1.052 1.00 71.13 C ATOM 513 CD1 LEU A 33 2.743 -0.298 0.406 1.00 75.43 C ATOM 514 CD2 LEU A 33 1.924 -1.521 -1.807 1.00 64.45 C ATOM 0 H LEU A 33 -0.522 -0.460 -1.792 1.00 44.53 H new ATOM 0 HA LEU A 33 0.348 1.005 0.406 1.00 44.52 H new ATOM 0 HB2 LEU A 33 1.213 0.936 -2.504 1.00 2.42 H new ATOM 0 HB3 LEU A 33 2.067 1.881 -1.301 1.00 2.42 H new ATOM 0 HG LEU A 33 3.249 -0.081 -1.493 1.00 71.13 H new ATOM 0 HD11 LEU A 33 3.309 -1.215 0.566 1.00 75.43 H new ATOM 0 HD12 LEU A 33 3.379 0.562 0.616 1.00 75.43 H new ATOM 0 HD13 LEU A 33 1.881 -0.283 1.073 1.00 75.43 H new ATOM 0 HD21 LEU A 33 2.560 -2.332 -1.453 1.00 64.45 H new ATOM 0 HD22 LEU A 33 0.879 -1.778 -1.635 1.00 64.45 H new ATOM 0 HD23 LEU A 33 2.089 -1.370 -2.874 1.00 64.45 H new ATOM 526 N ARG A 34 -1.130 2.856 -1.878 1.00 64.44 N ATOM 527 CA ARG A 34 -1.732 4.182 -2.071 1.00 51.34 C ATOM 528 C ARG A 34 -2.487 4.656 -0.822 1.00 61.32 C ATOM 529 O ARG A 34 -2.296 5.795 -0.420 1.00 74.31 O ATOM 530 CB ARG A 34 -2.618 4.187 -3.332 1.00 43.43 C ATOM 531 CG ARG A 34 -3.403 5.490 -3.593 1.00 61.43 C ATOM 532 CD ARG A 34 -2.526 6.744 -3.731 1.00 35.41 C ATOM 533 NE ARG A 34 -3.321 7.883 -4.216 1.00 63.24 N ATOM 534 CZ ARG A 34 -3.171 9.183 -3.928 1.00 75.31 C ATOM 535 NH1 ARG A 34 -2.197 9.617 -3.129 1.00 32.11 N ATOM 536 NH2 ARG A 34 -4.006 10.045 -4.489 1.00 43.21 N ATOM 0 H ARG A 34 -1.359 2.182 -2.608 1.00 64.44 H new ATOM 0 HA ARG A 34 -0.930 4.903 -2.226 1.00 51.34 H new ATOM 0 HB2 ARG A 34 -1.987 3.985 -4.198 1.00 43.43 H new ATOM 0 HB3 ARG A 34 -3.329 3.365 -3.257 1.00 43.43 H new ATOM 0 HG2 ARG A 34 -3.989 5.370 -4.504 1.00 61.43 H new ATOM 0 HG3 ARG A 34 -4.109 5.644 -2.777 1.00 61.43 H new ATOM 0 HD2 ARG A 34 -2.080 6.990 -2.767 1.00 35.41 H new ATOM 0 HD3 ARG A 34 -1.706 6.546 -4.421 1.00 35.41 H new ATOM 0 HE ARG A 34 -4.084 7.654 -4.853 1.00 63.24 H new ATOM 0 HH11 ARG A 34 -1.540 8.953 -2.718 1.00 32.11 H new ATOM 0 HH12 ARG A 34 -2.108 10.613 -2.928 1.00 32.11 H new ATOM 0 HH21 ARG A 34 -4.736 9.712 -5.119 1.00 43.21 H new ATOM 0 HH22 ARG A 34 -3.919 11.042 -4.291 1.00 43.21 H new ATOM 550 N VAL A 35 -3.293 3.808 -0.181 1.00 64.03 N ATOM 551 CA VAL A 35 -4.074 4.166 1.016 1.00 12.50 C ATOM 552 C VAL A 35 -3.253 3.985 2.312 1.00 75.14 C ATOM 553 O VAL A 35 -3.719 4.275 3.414 1.00 2.51 O ATOM 554 CB VAL A 35 -5.424 3.424 0.982 1.00 74.13 C ATOM 555 CG1 VAL A 35 -6.093 3.642 -0.384 1.00 73.31 C ATOM 556 CG2 VAL A 35 -5.409 1.917 1.277 1.00 2.40 C ATOM 0 H VAL A 35 -3.427 2.841 -0.478 1.00 64.03 H new ATOM 0 HA VAL A 35 -4.308 5.230 1.010 1.00 12.50 H new ATOM 0 HB VAL A 35 -5.978 3.864 1.811 1.00 74.13 H new ATOM 0 HG11 VAL A 35 -7.048 3.117 -0.409 1.00 73.31 H new ATOM 0 HG12 VAL A 35 -6.260 4.708 -0.541 1.00 73.31 H new ATOM 0 HG13 VAL A 35 -5.446 3.256 -1.172 1.00 73.31 H new ATOM 0 HG21 VAL A 35 -6.424 1.525 1.219 1.00 2.40 H new ATOM 0 HG22 VAL A 35 -4.782 1.409 0.545 1.00 2.40 H new ATOM 0 HG23 VAL A 35 -5.010 1.746 2.277 1.00 2.40 H new ATOM 566 N HIS A 36 -2.005 3.523 2.186 1.00 0.33 N ATOM 567 CA HIS A 36 -1.024 3.391 3.259 1.00 12.20 C ATOM 568 C HIS A 36 0.153 4.340 3.003 1.00 53.45 C ATOM 569 O HIS A 36 1.280 4.037 3.409 1.00 60.03 O ATOM 570 CB HIS A 36 -0.579 1.926 3.425 1.00 2.53 C ATOM 571 CG HIS A 36 -1.703 1.003 3.808 1.00 35.01 C ATOM 572 ND1 HIS A 36 -2.708 0.585 2.971 1.00 2.10 N ATOM 573 CD2 HIS A 36 -1.950 0.475 5.046 1.00 11.21 C ATOM 574 CE1 HIS A 36 -3.558 -0.163 3.683 1.00 60.43 C ATOM 575 NE2 HIS A 36 -3.124 -0.276 4.940 1.00 3.31 N ATOM 0 H HIS A 36 -1.637 3.216 1.286 1.00 0.33 H new ATOM 0 HA HIS A 36 -1.482 3.679 4.205 1.00 12.20 H new ATOM 0 HB2 HIS A 36 -0.136 1.580 2.491 1.00 2.53 H new ATOM 0 HB3 HIS A 36 0.200 1.874 4.186 1.00 2.53 H new ATOM 0 HD1 HIS A 36 -2.792 0.806 1.979 1.00 2.10 H new ATOM 0 HD2 HIS A 36 -1.352 0.612 5.935 1.00 11.21 H new ATOM 0 HE1 HIS A 36 -4.462 -0.610 3.297 1.00 60.43 H new ATOM 583 N SER A 37 -0.078 5.460 2.299 1.00 2.14 N ATOM 584 CA SER A 37 0.896 6.433 1.881 1.00 22.21 C ATOM 585 C SER A 37 0.870 7.708 2.744 1.00 52.12 C ATOM 586 O SER A 37 0.186 8.682 2.420 1.00 61.43 O ATOM 587 CB SER A 37 0.795 6.568 0.365 1.00 74.11 C ATOM 588 OG SER A 37 -0.204 7.420 -0.156 1.00 54.41 O ATOM 0 H SER A 37 -1.019 5.709 1.996 1.00 2.14 H new ATOM 0 HA SER A 37 1.919 6.110 2.073 1.00 22.21 H new ATOM 0 HB2 SER A 37 1.759 6.917 -0.005 1.00 74.11 H new ATOM 0 HB3 SER A 37 0.636 5.573 -0.050 1.00 74.11 H new ATOM 0 HG SER A 37 -0.986 6.888 -0.413 1.00 54.41 H new ATOM 594 N PRO A 38 1.580 7.713 3.887 1.00 73.22 N ATOM 595 CA PRO A 38 1.723 8.879 4.740 1.00 41.25 C ATOM 596 C PRO A 38 2.597 9.892 4.001 1.00 55.14 C ATOM 597 O PRO A 38 3.817 9.713 3.884 1.00 13.34 O ATOM 598 CB PRO A 38 2.345 8.355 6.041 1.00 74.02 C ATOM 599 CG PRO A 38 3.137 7.132 5.605 1.00 4.21 C ATOM 600 CD PRO A 38 2.315 6.594 4.450 1.00 62.44 C ATOM 0 HA PRO A 38 0.790 9.391 4.977 1.00 41.25 H new ATOM 0 HB2 PRO A 38 2.989 9.103 6.505 1.00 74.02 H new ATOM 0 HB3 PRO A 38 1.580 8.095 6.773 1.00 74.02 H new ATOM 0 HG2 PRO A 38 4.148 7.395 5.294 1.00 4.21 H new ATOM 0 HG3 PRO A 38 3.230 6.403 6.410 1.00 4.21 H new ATOM 0 HD2 PRO A 38 2.960 6.140 3.698 1.00 62.44 H new ATOM 0 HD3 PRO A 38 1.631 5.818 4.793 1.00 62.44 H new ATOM 608 N SER A 39 1.990 10.915 3.411 1.00 62.32 N ATOM 609 CA SER A 39 2.681 12.020 2.792 1.00 60.43 C ATOM 610 C SER A 39 3.323 12.829 3.928 1.00 64.34 C ATOM 611 O SER A 39 2.643 13.538 4.665 1.00 4.20 O ATOM 612 CB SER A 39 1.694 12.804 1.908 1.00 23.43 C ATOM 613 OG SER A 39 0.329 12.587 2.244 1.00 11.53 O ATOM 0 H SER A 39 0.975 10.993 3.353 1.00 62.32 H new ATOM 0 HA SER A 39 3.479 11.713 2.116 1.00 60.43 H new ATOM 0 HB2 SER A 39 1.914 13.868 1.989 1.00 23.43 H new ATOM 0 HB3 SER A 39 1.852 12.524 0.866 1.00 23.43 H new ATOM 0 HG SER A 39 -0.243 13.114 1.647 1.00 11.53 H new ATOM 619 N ALA A 40 4.636 12.659 4.112 1.00 33.01 N ATOM 620 CA ALA A 40 5.428 13.322 5.150 1.00 43.25 C ATOM 621 C ALA A 40 5.689 14.807 4.854 1.00 51.25 C ATOM 622 O ALA A 40 6.306 15.515 5.646 1.00 44.32 O ATOM 623 CB ALA A 40 6.773 12.611 5.255 1.00 21.34 C ATOM 0 H ALA A 40 5.192 12.038 3.525 1.00 33.01 H new ATOM 0 HA ALA A 40 4.859 13.269 6.078 1.00 43.25 H new ATOM 0 HB1 ALA A 40 7.379 13.090 6.024 1.00 21.34 H new ATOM 0 HB2 ALA A 40 6.612 11.566 5.519 1.00 21.34 H new ATOM 0 HB3 ALA A 40 7.290 12.668 4.297 1.00 21.34 H new ATOM 629 N GLU A 41 5.301 15.267 3.666 1.00 60.44 N ATOM 630 CA GLU A 41 5.823 16.465 3.019 1.00 32.00 C ATOM 631 C GLU A 41 4.778 17.589 3.049 1.00 1.40 C ATOM 632 O GLU A 41 4.865 18.576 2.318 1.00 44.53 O ATOM 633 CB GLU A 41 6.345 16.059 1.620 1.00 44.44 C ATOM 634 CG GLU A 41 7.553 15.104 1.769 1.00 40.34 C ATOM 635 CD GLU A 41 8.001 14.373 0.500 1.00 32.43 C ATOM 636 OE1 GLU A 41 7.991 14.947 -0.611 1.00 44.35 O ATOM 637 OE2 GLU A 41 8.427 13.203 0.659 1.00 54.52 O ATOM 0 H GLU A 41 4.588 14.797 3.109 1.00 60.44 H new ATOM 0 HA GLU A 41 6.672 16.891 3.553 1.00 32.00 H new ATOM 0 HB2 GLU A 41 5.552 15.571 1.053 1.00 44.44 H new ATOM 0 HB3 GLU A 41 6.638 16.947 1.059 1.00 44.44 H new ATOM 0 HG2 GLU A 41 8.398 15.678 2.149 1.00 40.34 H new ATOM 0 HG3 GLU A 41 7.308 14.358 2.525 1.00 40.34 H new ATOM 644 N VAL A 42 3.782 17.416 3.916 1.00 22.32 N ATOM 645 CA VAL A 42 2.562 18.204 3.999 1.00 74.44 C ATOM 646 C VAL A 42 2.737 19.423 4.899 1.00 20.21 C ATOM 647 O VAL A 42 2.129 20.457 4.629 1.00 44.34 O ATOM 648 CB VAL A 42 1.432 17.299 4.514 1.00 13.33 C ATOM 649 CG1 VAL A 42 0.121 18.061 4.718 1.00 43.33 C ATOM 650 CG2 VAL A 42 1.175 16.131 3.555 1.00 4.24 C ATOM 0 H VAL A 42 3.811 16.678 4.619 1.00 22.32 H new ATOM 0 HA VAL A 42 2.313 18.583 3.008 1.00 74.44 H new ATOM 0 HB VAL A 42 1.769 16.920 5.479 1.00 13.33 H new ATOM 0 HG11 VAL A 42 -0.645 17.376 5.082 1.00 43.33 H new ATOM 0 HG12 VAL A 42 0.273 18.857 5.447 1.00 43.33 H new ATOM 0 HG13 VAL A 42 -0.200 18.493 3.770 1.00 43.33 H new ATOM 0 HG21 VAL A 42 0.370 15.509 3.947 1.00 4.24 H new ATOM 0 HG22 VAL A 42 0.890 16.519 2.577 1.00 4.24 H new ATOM 0 HG23 VAL A 42 2.081 15.533 3.458 1.00 4.24 H new ATOM 660 N GLN A 43 3.600 19.340 5.921 1.00 11.50 N ATOM 661 CA GLN A 43 3.894 20.436 6.847 1.00 20.04 C ATOM 662 C GLN A 43 2.692 20.682 7.785 1.00 43.34 C ATOM 663 O GLN A 43 2.336 21.821 8.114 1.00 31.33 O ATOM 664 CB GLN A 43 4.323 21.719 6.115 1.00 33.11 C ATOM 665 CG GLN A 43 5.124 21.572 4.807 1.00 33.43 C ATOM 666 CD GLN A 43 4.740 22.699 3.863 1.00 62.34 C ATOM 667 OE1 GLN A 43 5.474 23.671 3.705 1.00 43.51 O ATOM 668 NE2 GLN A 43 3.554 22.639 3.283 1.00 74.35 N ATOM 0 H GLN A 43 4.123 18.489 6.129 1.00 11.50 H new ATOM 0 HA GLN A 43 4.747 20.138 7.457 1.00 20.04 H new ATOM 0 HB2 GLN A 43 3.424 22.293 5.893 1.00 33.11 H new ATOM 0 HB3 GLN A 43 4.919 22.315 6.806 1.00 33.11 H new ATOM 0 HG2 GLN A 43 6.194 21.603 5.015 1.00 33.43 H new ATOM 0 HG3 GLN A 43 4.917 20.607 4.345 1.00 33.43 H new ATOM 0 HE21 GLN A 43 2.957 21.824 3.425 1.00 74.35 H new ATOM 0 HE22 GLN A 43 3.235 23.408 2.693 1.00 74.35 H new ATOM 677 N GLY A 44 2.034 19.602 8.196 1.00 51.34 N ATOM 678 CA GLY A 44 0.836 19.596 9.016 1.00 62.23 C ATOM 679 C GLY A 44 -0.146 18.584 8.450 1.00 32.10 C ATOM 680 O GLY A 44 -1.295 18.930 8.171 1.00 35.30 O ATOM 0 H GLY A 44 2.341 18.661 7.951 1.00 51.34 H new ATOM 0 HA2 GLY A 44 1.086 19.342 10.046 1.00 62.23 H new ATOM 0 HA3 GLY A 44 0.386 20.589 9.032 1.00 62.23 H new ATOM 684 N HIS A 45 0.312 17.352 8.207 1.00 12.52 N ATOM 685 CA HIS A 45 -0.572 16.274 7.771 1.00 35.34 C ATOM 686 C HIS A 45 -1.666 16.048 8.826 1.00 12.12 C ATOM 687 O HIS A 45 -1.371 15.749 9.985 1.00 52.11 O ATOM 688 CB HIS A 45 0.214 15.000 7.418 1.00 13.41 C ATOM 689 CG HIS A 45 0.724 14.209 8.594 1.00 14.50 C ATOM 690 ND1 HIS A 45 0.289 12.964 8.983 1.00 35.02 N ATOM 691 CD2 HIS A 45 1.673 14.622 9.484 1.00 24.41 C ATOM 692 CE1 HIS A 45 0.976 12.626 10.087 1.00 53.51 C ATOM 693 NE2 HIS A 45 1.818 13.613 10.449 1.00 52.51 N ATOM 0 H HIS A 45 1.290 17.080 8.306 1.00 12.52 H new ATOM 0 HA HIS A 45 -1.068 16.565 6.845 1.00 35.34 H new ATOM 0 HB2 HIS A 45 -0.426 14.354 6.817 1.00 13.41 H new ATOM 0 HB3 HIS A 45 1.063 15.278 6.793 1.00 13.41 H new ATOM 0 HD2 HIS A 45 2.214 15.556 9.452 1.00 24.41 H new ATOM 0 HE1 HIS A 45 0.868 11.689 10.613 1.00 53.51 H new ATOM 0 HE2 HIS A 45 2.436 13.625 11.260 1.00 52.51 H new ATOM 701 N GLY A 46 -2.928 16.248 8.447 1.00 41.12 N ATOM 702 CA GLY A 46 -4.065 16.153 9.352 1.00 54.44 C ATOM 703 C GLY A 46 -4.432 14.706 9.677 1.00 22.30 C ATOM 704 O GLY A 46 -3.739 13.764 9.275 1.00 20.42 O ATOM 0 H GLY A 46 -3.189 16.483 7.489 1.00 41.12 H new ATOM 0 HA2 GLY A 46 -3.835 16.683 10.276 1.00 54.44 H new ATOM 0 HA3 GLY A 46 -4.925 16.651 8.904 1.00 54.44 H new ATOM 708 N ASN A 47 -5.547 14.549 10.398 1.00 40.21 N ATOM 709 CA ASN A 47 -6.152 13.273 10.790 1.00 41.51 C ATOM 710 C ASN A 47 -6.237 12.268 9.632 1.00 21.32 C ATOM 711 O ASN A 47 -6.273 12.660 8.459 1.00 55.52 O ATOM 712 CB ASN A 47 -7.558 13.502 11.391 1.00 55.51 C ATOM 713 CG ASN A 47 -8.507 14.237 10.452 1.00 60.35 C ATOM 714 OD1 ASN A 47 -8.705 15.440 10.595 1.00 3.20 O ATOM 715 ND2 ASN A 47 -9.105 13.567 9.485 1.00 62.31 N ATOM 0 H ASN A 47 -6.078 15.349 10.741 1.00 40.21 H new ATOM 0 HA ASN A 47 -5.495 12.839 11.544 1.00 41.51 H new ATOM 0 HB2 ASN A 47 -7.994 12.538 11.654 1.00 55.51 H new ATOM 0 HB3 ASN A 47 -7.461 14.071 12.316 1.00 55.51 H new ATOM 0 HD21 ASN A 47 -9.739 14.049 8.847 1.00 62.31 H new ATOM 0 HD22 ASN A 47 -8.933 12.568 9.375 1.00 62.31 H new ATOM 722 N PRO A 48 -6.348 10.961 9.936 1.00 32.01 N ATOM 723 CA PRO A 48 -6.627 9.967 8.923 1.00 55.22 C ATOM 724 C PRO A 48 -7.984 10.236 8.283 1.00 51.22 C ATOM 725 O PRO A 48 -8.927 10.745 8.905 1.00 35.04 O ATOM 726 CB PRO A 48 -6.573 8.603 9.617 1.00 0.51 C ATOM 727 CG PRO A 48 -6.845 8.932 11.081 1.00 12.30 C ATOM 728 CD PRO A 48 -6.237 10.323 11.238 1.00 15.40 C ATOM 0 HA PRO A 48 -5.897 9.997 8.114 1.00 55.22 H new ATOM 0 HB2 PRO A 48 -7.320 7.919 9.215 1.00 0.51 H new ATOM 0 HB3 PRO A 48 -5.602 8.126 9.487 1.00 0.51 H new ATOM 0 HG2 PRO A 48 -7.912 8.930 11.304 1.00 12.30 H new ATOM 0 HG3 PRO A 48 -6.378 8.209 11.751 1.00 12.30 H new ATOM 0 HD2 PRO A 48 -6.766 10.896 11.999 1.00 15.40 H new ATOM 0 HD3 PRO A 48 -5.196 10.260 11.553 1.00 15.40 H new ATOM 736 N VAL A 49 -8.056 9.867 7.016 1.00 75.45 N ATOM 737 CA VAL A 49 -9.257 9.873 6.207 1.00 44.53 C ATOM 738 C VAL A 49 -9.250 8.562 5.448 1.00 14.12 C ATOM 739 O VAL A 49 -8.218 8.140 4.917 1.00 41.21 O ATOM 740 CB VAL A 49 -9.292 11.072 5.243 1.00 14.44 C ATOM 741 CG1 VAL A 49 -10.614 11.080 4.464 1.00 60.25 C ATOM 742 CG2 VAL A 49 -9.133 12.406 5.982 1.00 41.41 C ATOM 0 H VAL A 49 -7.238 9.540 6.501 1.00 75.45 H new ATOM 0 HA VAL A 49 -10.146 9.972 6.830 1.00 44.53 H new ATOM 0 HB VAL A 49 -8.452 10.962 4.557 1.00 14.44 H new ATOM 0 HG11 VAL A 49 -10.631 11.932 3.784 1.00 60.25 H new ATOM 0 HG12 VAL A 49 -10.705 10.157 3.891 1.00 60.25 H new ATOM 0 HG13 VAL A 49 -11.447 11.157 5.162 1.00 60.25 H new ATOM 0 HG21 VAL A 49 -9.163 13.226 5.264 1.00 41.41 H new ATOM 0 HG22 VAL A 49 -9.944 12.523 6.701 1.00 41.41 H new ATOM 0 HG23 VAL A 49 -8.178 12.419 6.508 1.00 41.41 H new ATOM 752 N LEU A 50 -10.404 7.914 5.407 1.00 51.15 N ATOM 753 CA LEU A 50 -10.557 6.630 4.764 1.00 74.14 C ATOM 754 C LEU A 50 -10.448 6.796 3.252 1.00 31.10 C ATOM 755 O LEU A 50 -11.326 7.395 2.630 1.00 53.45 O ATOM 756 CB LEU A 50 -11.907 6.044 5.177 1.00 1.32 C ATOM 757 CG LEU A 50 -12.153 4.657 4.579 1.00 60.42 C ATOM 758 CD1 LEU A 50 -11.065 3.666 5.002 1.00 12.23 C ATOM 759 CD2 LEU A 50 -13.532 4.219 5.053 1.00 23.12 C ATOM 0 H LEU A 50 -11.263 8.272 5.824 1.00 51.15 H new ATOM 0 HA LEU A 50 -9.769 5.943 5.072 1.00 74.14 H new ATOM 0 HB2 LEU A 50 -11.954 5.981 6.264 1.00 1.32 H new ATOM 0 HB3 LEU A 50 -12.703 6.718 4.862 1.00 1.32 H new ATOM 0 HG LEU A 50 -12.115 4.689 3.490 1.00 60.42 H new ATOM 0 HD11 LEU A 50 -11.270 2.691 4.560 1.00 12.23 H new ATOM 0 HD12 LEU A 50 -10.094 4.023 4.659 1.00 12.23 H new ATOM 0 HD13 LEU A 50 -11.056 3.578 6.088 1.00 12.23 H new ATOM 0 HD21 LEU A 50 -13.757 3.231 4.652 1.00 23.12 H new ATOM 0 HD22 LEU A 50 -13.547 4.181 6.142 1.00 23.12 H new ATOM 0 HD23 LEU A 50 -14.280 4.931 4.704 1.00 23.12 H new ATOM 771 N GLN A 51 -9.376 6.283 2.649 1.00 55.15 N ATOM 772 CA GLN A 51 -9.138 6.435 1.221 1.00 21.24 C ATOM 773 C GLN A 51 -9.800 5.245 0.514 1.00 35.03 C ATOM 774 O GLN A 51 -9.322 4.103 0.583 1.00 71.05 O ATOM 775 CB GLN A 51 -7.628 6.576 0.978 1.00 73.12 C ATOM 776 CG GLN A 51 -7.036 7.843 1.634 1.00 15.51 C ATOM 777 CD GLN A 51 -6.853 9.007 0.661 1.00 4.12 C ATOM 778 OE1 GLN A 51 -6.053 8.938 -0.270 1.00 15.21 O ATOM 779 NE2 GLN A 51 -7.567 10.107 0.850 1.00 33.00 N ATOM 0 H GLN A 51 -8.654 5.754 3.137 1.00 55.15 H new ATOM 0 HA GLN A 51 -9.583 7.339 0.806 1.00 21.24 H new ATOM 0 HB2 GLN A 51 -7.117 5.696 1.369 1.00 73.12 H new ATOM 0 HB3 GLN A 51 -7.438 6.604 -0.095 1.00 73.12 H new ATOM 0 HG2 GLN A 51 -7.689 8.160 2.448 1.00 15.51 H new ATOM 0 HG3 GLN A 51 -6.071 7.596 2.077 1.00 15.51 H new ATOM 0 HE21 GLN A 51 -8.229 10.158 1.624 1.00 33.00 H new ATOM 0 HE22 GLN A 51 -7.454 10.902 0.221 1.00 33.00 H new ATOM 788 N TYR A 52 -10.961 5.492 -0.097 1.00 40.21 N ATOM 789 CA TYR A 52 -11.720 4.501 -0.854 1.00 55.24 C ATOM 790 C TYR A 52 -11.545 4.718 -2.360 1.00 55.35 C ATOM 791 O TYR A 52 -10.683 5.500 -2.760 1.00 13.41 O ATOM 792 CB TYR A 52 -13.188 4.454 -0.392 1.00 33.45 C ATOM 793 CG TYR A 52 -13.973 5.739 -0.516 1.00 35.31 C ATOM 794 CD1 TYR A 52 -13.914 6.675 0.530 1.00 23.22 C ATOM 795 CD2 TYR A 52 -14.784 5.989 -1.640 1.00 43.33 C ATOM 796 CE1 TYR A 52 -14.645 7.867 0.453 1.00 15.11 C ATOM 797 CE2 TYR A 52 -15.509 7.191 -1.729 1.00 43.12 C ATOM 798 CZ TYR A 52 -15.429 8.144 -0.690 1.00 51.44 C ATOM 799 OH TYR A 52 -16.123 9.312 -0.780 1.00 4.40 O ATOM 0 H TYR A 52 -11.408 6.409 -0.077 1.00 40.21 H new ATOM 0 HA TYR A 52 -11.319 3.509 -0.647 1.00 55.24 H new ATOM 0 HB2 TYR A 52 -13.702 3.683 -0.966 1.00 33.45 H new ATOM 0 HB3 TYR A 52 -13.208 4.141 0.652 1.00 33.45 H new ATOM 0 HD1 TYR A 52 -13.302 6.474 1.397 1.00 23.22 H new ATOM 0 HD2 TYR A 52 -14.849 5.258 -2.433 1.00 43.33 H new ATOM 0 HE1 TYR A 52 -14.610 8.575 1.268 1.00 15.11 H new ATOM 0 HE2 TYR A 52 -16.127 7.385 -2.593 1.00 43.12 H new ATOM 0 HH TYR A 52 -16.607 9.340 -1.631 1.00 4.40 H new ATOM 809 N GLY A 53 -12.306 3.992 -3.189 1.00 23.02 N ATOM 810 CA GLY A 53 -12.234 4.090 -4.644 1.00 53.11 C ATOM 811 C GLY A 53 -10.835 3.753 -5.160 1.00 41.44 C ATOM 812 O GLY A 53 -10.076 4.644 -5.544 1.00 34.03 O ATOM 0 H GLY A 53 -12.994 3.315 -2.861 1.00 23.02 H new ATOM 0 HA2 GLY A 53 -12.961 3.412 -5.092 1.00 53.11 H new ATOM 0 HA3 GLY A 53 -12.505 5.099 -4.956 1.00 53.11 H new ATOM 816 N LYS A 54 -10.468 2.473 -5.100 1.00 13.13 N ATOM 817 CA LYS A 54 -9.127 1.970 -5.406 1.00 73.11 C ATOM 818 C LYS A 54 -9.108 0.518 -5.894 1.00 13.34 C ATOM 819 O LYS A 54 -8.032 -0.058 -6.004 1.00 15.14 O ATOM 820 CB LYS A 54 -8.122 2.361 -4.302 1.00 53.40 C ATOM 821 CG LYS A 54 -8.586 2.188 -2.858 1.00 71.34 C ATOM 822 CD LYS A 54 -8.871 0.719 -2.611 1.00 74.40 C ATOM 823 CE LYS A 54 -9.344 0.372 -1.192 1.00 41.51 C ATOM 824 NZ LYS A 54 -8.795 1.213 -0.099 1.00 74.23 N ATOM 0 H LYS A 54 -11.116 1.733 -4.829 1.00 13.13 H new ATOM 0 HA LYS A 54 -8.758 2.484 -6.293 1.00 73.11 H new ATOM 0 HB2 LYS A 54 -7.217 1.770 -4.441 1.00 53.40 H new ATOM 0 HB3 LYS A 54 -7.846 3.405 -4.448 1.00 53.40 H new ATOM 0 HG2 LYS A 54 -7.820 2.545 -2.170 1.00 71.34 H new ATOM 0 HG3 LYS A 54 -9.481 2.782 -2.675 1.00 71.34 H new ATOM 0 HD2 LYS A 54 -9.630 0.389 -3.320 1.00 74.40 H new ATOM 0 HD3 LYS A 54 -7.966 0.149 -2.824 1.00 74.40 H new ATOM 0 HE2 LYS A 54 -10.431 0.442 -1.166 1.00 41.51 H new ATOM 0 HE3 LYS A 54 -9.086 -0.667 -0.988 1.00 41.51 H new ATOM 0 HZ1 LYS A 54 -9.070 0.811 0.820 1.00 74.23 H new ATOM 0 HZ2 LYS A 54 -7.758 1.240 -0.169 1.00 74.23 H new ATOM 0 HZ3 LYS A 54 -9.172 2.179 -0.181 1.00 74.23 H new ATOM 838 N LEU A 55 -10.260 -0.078 -6.226 1.00 41.52 N ATOM 839 CA LEU A 55 -10.332 -1.457 -6.714 1.00 1.22 C ATOM 840 C LEU A 55 -9.494 -1.656 -7.980 1.00 55.14 C ATOM 841 O LEU A 55 -8.964 -2.745 -8.197 1.00 42.52 O ATOM 842 CB LEU A 55 -11.797 -1.839 -7.021 1.00 21.02 C ATOM 843 CG LEU A 55 -12.028 -3.339 -7.270 1.00 52.43 C ATOM 844 CD1 LEU A 55 -11.676 -4.211 -6.057 1.00 42.50 C ATOM 845 CD2 LEU A 55 -13.509 -3.559 -7.579 1.00 15.41 C ATOM 0 H LEU A 55 -11.167 0.384 -6.163 1.00 41.52 H new ATOM 0 HA LEU A 55 -9.932 -2.098 -5.928 1.00 1.22 H new ATOM 0 HB2 LEU A 55 -12.424 -1.522 -6.188 1.00 21.02 H new ATOM 0 HB3 LEU A 55 -12.128 -1.283 -7.898 1.00 21.02 H new ATOM 0 HG LEU A 55 -11.379 -3.629 -8.096 1.00 52.43 H new ATOM 0 HD11 LEU A 55 -11.861 -5.258 -6.296 1.00 42.50 H new ATOM 0 HD12 LEU A 55 -10.624 -4.076 -5.805 1.00 42.50 H new ATOM 0 HD13 LEU A 55 -12.293 -3.919 -5.207 1.00 42.50 H new ATOM 0 HD21 LEU A 55 -13.690 -4.619 -7.758 1.00 15.41 H new ATOM 0 HD22 LEU A 55 -14.111 -3.226 -6.733 1.00 15.41 H new ATOM 0 HD23 LEU A 55 -13.784 -2.989 -8.466 1.00 15.41 H new ATOM 857 N ASN A 56 -9.416 -0.628 -8.831 1.00 72.23 N ATOM 858 CA ASN A 56 -8.989 -0.772 -10.224 1.00 35.15 C ATOM 859 C ASN A 56 -7.586 -0.204 -10.463 1.00 52.12 C ATOM 860 O ASN A 56 -7.120 -0.197 -11.605 1.00 11.12 O ATOM 861 CB ASN A 56 -10.039 -0.138 -11.154 1.00 2.24 C ATOM 862 CG ASN A 56 -11.429 -0.708 -10.894 1.00 72.13 C ATOM 863 OD1 ASN A 56 -11.700 -1.864 -11.207 1.00 54.10 O ATOM 864 ND2 ASN A 56 -12.294 0.046 -10.238 1.00 3.23 N ATOM 0 H ASN A 56 -9.648 0.330 -8.571 1.00 72.23 H new ATOM 0 HA ASN A 56 -8.919 -1.835 -10.455 1.00 35.15 H new ATOM 0 HB2 ASN A 56 -10.053 0.942 -11.006 1.00 2.24 H new ATOM 0 HB3 ASN A 56 -9.760 -0.314 -12.193 1.00 2.24 H new ATOM 0 HD21 ASN A 56 -13.207 -0.330 -9.982 1.00 3.23 H new ATOM 0 HD22 ASN A 56 -12.049 1.004 -9.988 1.00 3.23 H new ATOM 871 N VAL A 57 -6.911 0.255 -9.404 1.00 62.02 N ATOM 872 CA VAL A 57 -5.579 0.865 -9.406 1.00 14.32 C ATOM 873 C VAL A 57 -4.562 -0.018 -10.126 1.00 64.14 C ATOM 874 O VAL A 57 -4.693 -1.245 -10.214 1.00 22.33 O ATOM 875 CB VAL A 57 -5.183 1.158 -7.934 1.00 71.14 C ATOM 876 CG1 VAL A 57 -3.762 1.705 -7.712 1.00 62.11 C ATOM 877 CG2 VAL A 57 -6.087 2.216 -7.335 1.00 41.22 C ATOM 0 H VAL A 57 -7.306 0.207 -8.465 1.00 62.02 H new ATOM 0 HA VAL A 57 -5.593 1.802 -9.962 1.00 14.32 H new ATOM 0 HB VAL A 57 -5.264 0.175 -7.470 1.00 71.14 H new ATOM 0 HG11 VAL A 57 -3.598 1.872 -6.647 1.00 62.11 H new ATOM 0 HG12 VAL A 57 -3.033 0.985 -8.083 1.00 62.11 H new ATOM 0 HG13 VAL A 57 -3.647 2.647 -8.248 1.00 62.11 H new ATOM 0 HG21 VAL A 57 -5.791 2.405 -6.303 1.00 41.22 H new ATOM 0 HG22 VAL A 57 -6.001 3.137 -7.912 1.00 41.22 H new ATOM 0 HG23 VAL A 57 -7.120 1.868 -7.358 1.00 41.22 H new ATOM 887 N GLY A 58 -3.488 0.627 -10.577 1.00 52.35 N ATOM 888 CA GLY A 58 -2.249 -0.029 -10.889 1.00 24.00 C ATOM 889 C GLY A 58 -1.073 0.820 -10.435 1.00 2.14 C ATOM 890 O GLY A 58 -1.226 1.907 -9.867 1.00 41.34 O ATOM 0 H GLY A 58 -3.468 1.635 -10.734 1.00 52.35 H new ATOM 0 HA2 GLY A 58 -2.213 -1.003 -10.401 1.00 24.00 H new ATOM 0 HA3 GLY A 58 -2.184 -0.207 -11.962 1.00 24.00 H new ATOM 894 N LEU A 59 0.123 0.305 -10.689 1.00 55.41 N ATOM 895 CA LEU A 59 1.389 0.921 -10.351 1.00 52.11 C ATOM 896 C LEU A 59 2.200 1.035 -11.622 1.00 42.43 C ATOM 897 O LEU A 59 1.895 0.416 -12.642 1.00 75.21 O ATOM 898 CB LEU A 59 2.059 0.108 -9.222 1.00 40.53 C ATOM 899 CG LEU A 59 2.743 1.043 -8.212 1.00 3.30 C ATOM 900 CD1 LEU A 59 2.426 0.744 -6.758 1.00 1.21 C ATOM 901 CD2 LEU A 59 4.252 1.085 -8.423 1.00 11.10 C ATOM 0 H LEU A 59 0.236 -0.594 -11.157 1.00 55.41 H new ATOM 0 HA LEU A 59 1.279 1.931 -9.956 1.00 52.11 H new ATOM 0 HB2 LEU A 59 1.312 -0.501 -8.713 1.00 40.53 H new ATOM 0 HB3 LEU A 59 2.793 -0.577 -9.647 1.00 40.53 H new ATOM 0 HG LEU A 59 2.318 2.026 -8.417 1.00 3.30 H new ATOM 0 HD11 LEU A 59 2.951 1.453 -6.118 1.00 1.21 H new ATOM 0 HD12 LEU A 59 1.352 0.834 -6.594 1.00 1.21 H new ATOM 0 HD13 LEU A 59 2.746 -0.270 -6.517 1.00 1.21 H new ATOM 0 HD21 LEU A 59 4.703 1.756 -7.692 1.00 11.10 H new ATOM 0 HD22 LEU A 59 4.665 0.084 -8.300 1.00 11.10 H new ATOM 0 HD23 LEU A 59 4.469 1.446 -9.428 1.00 11.10 H new ATOM 913 N VAL A 60 3.201 1.891 -11.567 1.00 0.41 N ATOM 914 CA VAL A 60 3.872 2.409 -12.742 1.00 31.00 C ATOM 915 C VAL A 60 5.371 2.328 -12.555 1.00 71.25 C ATOM 916 O VAL A 60 6.085 1.978 -13.497 1.00 52.11 O ATOM 917 CB VAL A 60 3.384 3.840 -13.028 1.00 14.52 C ATOM 918 CG1 VAL A 60 2.098 3.757 -13.838 1.00 54.52 C ATOM 919 CG2 VAL A 60 3.082 4.646 -11.764 1.00 2.41 C ATOM 0 H VAL A 60 3.577 2.252 -10.690 1.00 0.41 H new ATOM 0 HA VAL A 60 3.626 1.804 -13.615 1.00 31.00 H new ATOM 0 HB VAL A 60 4.188 4.347 -13.561 1.00 14.52 H new ATOM 0 HG11 VAL A 60 1.736 4.763 -14.051 1.00 54.52 H new ATOM 0 HG12 VAL A 60 2.291 3.235 -14.775 1.00 54.52 H new ATOM 0 HG13 VAL A 60 1.344 3.213 -13.269 1.00 54.52 H new ATOM 0 HG21 VAL A 60 2.743 5.644 -12.041 1.00 2.41 H new ATOM 0 HG22 VAL A 60 2.303 4.145 -11.190 1.00 2.41 H new ATOM 0 HG23 VAL A 60 3.985 4.725 -11.158 1.00 2.41 H new ATOM 929 N GLY A 61 5.843 2.580 -11.338 1.00 43.54 N ATOM 930 CA GLY A 61 7.273 2.641 -11.095 1.00 62.33 C ATOM 931 C GLY A 61 7.619 2.613 -9.619 1.00 75.43 C ATOM 932 O GLY A 61 6.802 2.995 -8.775 1.00 62.23 O ATOM 0 H GLY A 61 5.261 2.743 -10.516 1.00 43.54 H new ATOM 0 HA2 GLY A 61 7.758 1.802 -11.593 1.00 62.33 H new ATOM 0 HA3 GLY A 61 7.674 3.551 -11.541 1.00 62.33 H new ATOM 936 N VAL A 62 8.834 2.151 -9.322 1.00 64.34 N ATOM 937 CA VAL A 62 9.445 2.276 -8.011 1.00 55.13 C ATOM 938 C VAL A 62 10.962 2.198 -8.204 1.00 24.32 C ATOM 939 O VAL A 62 11.480 1.341 -8.935 1.00 63.31 O ATOM 940 CB VAL A 62 8.847 1.233 -7.037 1.00 75.05 C ATOM 941 CG1 VAL A 62 9.518 -0.144 -7.090 1.00 61.43 C ATOM 942 CG2 VAL A 62 8.712 1.667 -5.575 1.00 63.32 C ATOM 0 H VAL A 62 9.426 1.673 -10.001 1.00 64.34 H new ATOM 0 HA VAL A 62 9.228 3.234 -7.539 1.00 55.13 H new ATOM 0 HB VAL A 62 7.836 1.152 -7.436 1.00 75.05 H new ATOM 0 HG11 VAL A 62 9.036 -0.811 -6.376 1.00 61.43 H new ATOM 0 HG12 VAL A 62 9.422 -0.557 -8.094 1.00 61.43 H new ATOM 0 HG13 VAL A 62 10.574 -0.044 -6.838 1.00 61.43 H new ATOM 0 HG21 VAL A 62 8.282 0.853 -4.992 1.00 63.32 H new ATOM 0 HG22 VAL A 62 9.696 1.917 -5.178 1.00 63.32 H new ATOM 0 HG23 VAL A 62 8.063 2.540 -5.513 1.00 63.32 H new ATOM 952 N GLU A 63 11.662 3.106 -7.546 1.00 40.14 N ATOM 953 CA GLU A 63 13.123 3.235 -7.506 1.00 24.00 C ATOM 954 C GLU A 63 13.576 3.779 -6.143 1.00 52.25 C ATOM 955 O GLU A 63 12.830 4.538 -5.516 1.00 12.51 O ATOM 956 CB GLU A 63 13.662 4.170 -8.605 1.00 32.34 C ATOM 957 CG GLU A 63 13.493 3.609 -10.020 1.00 42.54 C ATOM 958 CD GLU A 63 14.405 4.321 -11.032 1.00 32.01 C ATOM 959 OE1 GLU A 63 14.429 5.572 -11.046 1.00 63.22 O ATOM 960 OE2 GLU A 63 15.089 3.647 -11.843 1.00 34.00 O ATOM 0 H GLU A 63 11.202 3.824 -6.986 1.00 40.14 H new ATOM 0 HA GLU A 63 13.525 2.236 -7.674 1.00 24.00 H new ATOM 0 HB2 GLU A 63 13.149 5.129 -8.539 1.00 32.34 H new ATOM 0 HB3 GLU A 63 14.719 4.361 -8.422 1.00 32.34 H new ATOM 0 HG2 GLU A 63 13.718 2.542 -10.017 1.00 42.54 H new ATOM 0 HG3 GLU A 63 12.454 3.715 -10.331 1.00 42.54 H new ATOM 967 N PRO A 64 14.778 3.399 -5.665 1.00 35.43 N ATOM 968 CA PRO A 64 15.302 3.799 -4.364 1.00 21.32 C ATOM 969 C PRO A 64 15.581 5.301 -4.329 1.00 71.21 C ATOM 970 O PRO A 64 15.948 5.903 -5.345 1.00 62.01 O ATOM 971 CB PRO A 64 16.556 2.949 -4.137 1.00 3.24 C ATOM 972 CG PRO A 64 17.022 2.595 -5.544 1.00 42.51 C ATOM 973 CD PRO A 64 15.728 2.543 -6.354 1.00 72.05 C ATOM 0 HA PRO A 64 14.586 3.628 -3.560 1.00 21.32 H new ATOM 0 HB2 PRO A 64 17.320 3.503 -3.591 1.00 3.24 H new ATOM 0 HB3 PRO A 64 16.332 2.056 -3.554 1.00 3.24 H new ATOM 0 HG2 PRO A 64 17.710 3.343 -5.937 1.00 42.51 H new ATOM 0 HG3 PRO A 64 17.545 1.639 -5.564 1.00 42.51 H new ATOM 0 HD2 PRO A 64 15.894 2.889 -7.374 1.00 72.05 H new ATOM 0 HD3 PRO A 64 15.353 1.522 -6.421 1.00 72.05 H new ATOM 981 N ALA A 65 15.411 5.884 -3.141 1.00 13.52 N ATOM 982 CA ALA A 65 15.434 7.313 -2.881 1.00 71.44 C ATOM 983 C ALA A 65 16.416 7.591 -1.751 1.00 72.33 C ATOM 984 O ALA A 65 16.319 7.000 -0.670 1.00 63.22 O ATOM 985 CB ALA A 65 14.027 7.791 -2.510 1.00 73.44 C ATOM 0 H ALA A 65 15.246 5.339 -2.295 1.00 13.52 H new ATOM 0 HA ALA A 65 15.754 7.854 -3.772 1.00 71.44 H new ATOM 0 HB1 ALA A 65 14.047 8.863 -2.315 1.00 73.44 H new ATOM 0 HB2 ALA A 65 13.344 7.584 -3.333 1.00 73.44 H new ATOM 0 HB3 ALA A 65 13.688 7.266 -1.617 1.00 73.44 H new ATOM 991 N GLY A 66 17.400 8.452 -2.008 1.00 54.21 N ATOM 992 CA GLY A 66 18.426 8.861 -1.054 1.00 33.44 C ATOM 993 C GLY A 66 19.373 7.743 -0.606 1.00 23.12 C ATOM 994 O GLY A 66 20.452 8.047 -0.108 1.00 75.34 O ATOM 0 H GLY A 66 17.507 8.899 -2.919 1.00 54.21 H new ATOM 0 HA2 GLY A 66 19.017 9.661 -1.499 1.00 33.44 H new ATOM 0 HA3 GLY A 66 17.937 9.278 -0.173 1.00 33.44 H new ATOM 998 N GLN A 67 19.049 6.470 -0.857 1.00 40.54 N ATOM 999 CA GLN A 67 19.587 5.227 -0.340 1.00 14.41 C ATOM 1000 C GLN A 67 19.090 4.940 1.092 1.00 63.23 C ATOM 1001 O GLN A 67 19.704 4.163 1.829 1.00 20.43 O ATOM 1002 CB GLN A 67 21.110 5.246 -0.371 1.00 74.34 C ATOM 1003 CG GLN A 67 21.856 5.978 -1.509 1.00 62.22 C ATOM 1004 CD GLN A 67 22.849 5.117 -2.296 1.00 4.31 C ATOM 1005 OE1 GLN A 67 23.246 4.026 -1.896 1.00 15.33 O ATOM 1006 NE2 GLN A 67 23.278 5.597 -3.448 1.00 23.04 N ATOM 0 H GLN A 67 18.299 6.273 -1.520 1.00 40.54 H new ATOM 0 HA GLN A 67 19.228 4.426 -0.986 1.00 14.41 H new ATOM 0 HB2 GLN A 67 21.447 5.683 0.569 1.00 74.34 H new ATOM 0 HB3 GLN A 67 21.446 4.209 -0.379 1.00 74.34 H new ATOM 0 HG2 GLN A 67 21.120 6.382 -2.204 1.00 62.22 H new ATOM 0 HG3 GLN A 67 22.392 6.826 -1.084 1.00 62.22 H new ATOM 0 HE21 GLN A 67 22.947 6.503 -3.778 1.00 23.04 H new ATOM 0 HE22 GLN A 67 23.941 5.061 -4.008 1.00 23.04 H new ATOM 1015 N TYR A 68 17.994 5.564 1.522 1.00 51.24 N ATOM 1016 CA TYR A 68 17.405 5.370 2.851 1.00 3.10 C ATOM 1017 C TYR A 68 15.897 5.178 2.817 1.00 75.44 C ATOM 1018 O TYR A 68 15.255 4.971 3.851 1.00 0.33 O ATOM 1019 CB TYR A 68 17.760 6.525 3.787 1.00 23.01 C ATOM 1020 CG TYR A 68 18.010 7.904 3.208 1.00 42.35 C ATOM 1021 CD1 TYR A 68 19.271 8.200 2.656 1.00 74.44 C ATOM 1022 CD2 TYR A 68 17.025 8.904 3.272 1.00 1.53 C ATOM 1023 CE1 TYR A 68 19.553 9.468 2.122 1.00 63.13 C ATOM 1024 CE2 TYR A 68 17.305 10.186 2.756 1.00 64.01 C ATOM 1025 CZ TYR A 68 18.561 10.475 2.171 1.00 55.54 C ATOM 1026 OH TYR A 68 18.757 11.713 1.635 1.00 61.34 O ATOM 0 H TYR A 68 17.479 6.231 0.947 1.00 51.24 H new ATOM 0 HA TYR A 68 17.839 4.446 3.234 1.00 3.10 H new ATOM 0 HB2 TYR A 68 16.953 6.617 4.513 1.00 23.01 H new ATOM 0 HB3 TYR A 68 18.654 6.235 4.339 1.00 23.01 H new ATOM 0 HD1 TYR A 68 20.036 7.438 2.643 1.00 74.44 H new ATOM 0 HD2 TYR A 68 16.062 8.693 3.713 1.00 1.53 H new ATOM 0 HE1 TYR A 68 20.517 9.672 1.679 1.00 63.13 H new ATOM 0 HE2 TYR A 68 16.551 10.958 2.808 1.00 64.01 H new ATOM 0 HH TYR A 68 17.955 12.259 1.771 1.00 61.34 H new ATOM 1036 N ALA A 69 15.323 5.260 1.631 1.00 21.40 N ATOM 1037 CA ALA A 69 13.916 5.365 1.421 1.00 71.25 C ATOM 1038 C ALA A 69 13.640 4.838 0.014 1.00 32.01 C ATOM 1039 O ALA A 69 14.568 4.546 -0.748 1.00 11.53 O ATOM 1040 CB ALA A 69 13.591 6.848 1.639 1.00 1.40 C ATOM 0 H ALA A 69 15.857 5.254 0.762 1.00 21.40 H new ATOM 0 HA ALA A 69 13.285 4.782 2.092 1.00 71.25 H new ATOM 0 HB1 ALA A 69 12.523 7.011 1.495 1.00 1.40 H new ATOM 0 HB2 ALA A 69 13.869 7.136 2.653 1.00 1.40 H new ATOM 0 HB3 ALA A 69 14.150 7.452 0.924 1.00 1.40 H new ATOM 1046 N LEU A 70 12.366 4.733 -0.341 1.00 42.12 N ATOM 1047 CA LEU A 70 11.927 4.304 -1.658 1.00 11.33 C ATOM 1048 C LEU A 70 10.995 5.372 -2.208 1.00 62.23 C ATOM 1049 O LEU A 70 10.478 6.212 -1.455 1.00 21.24 O ATOM 1050 CB LEU A 70 11.270 2.912 -1.527 1.00 40.44 C ATOM 1051 CG LEU A 70 10.928 2.169 -2.825 1.00 73.35 C ATOM 1052 CD1 LEU A 70 12.133 1.953 -3.734 1.00 1.54 C ATOM 1053 CD2 LEU A 70 10.381 0.767 -2.539 1.00 20.04 C ATOM 0 H LEU A 70 11.596 4.948 0.292 1.00 42.12 H new ATOM 0 HA LEU A 70 12.751 4.196 -2.363 1.00 11.33 H new ATOM 0 HB2 LEU A 70 11.936 2.279 -0.942 1.00 40.44 H new ATOM 0 HB3 LEU A 70 10.351 3.026 -0.952 1.00 40.44 H new ATOM 0 HG LEU A 70 10.194 2.810 -3.314 1.00 73.35 H new ATOM 0 HD11 LEU A 70 11.820 1.422 -4.633 1.00 1.54 H new ATOM 0 HD12 LEU A 70 12.557 2.918 -4.011 1.00 1.54 H new ATOM 0 HD13 LEU A 70 12.884 1.364 -3.208 1.00 1.54 H new ATOM 0 HD21 LEU A 70 10.149 0.268 -3.480 1.00 20.04 H new ATOM 0 HD22 LEU A 70 11.129 0.188 -1.996 1.00 20.04 H new ATOM 0 HD23 LEU A 70 9.476 0.845 -1.937 1.00 20.04 H new ATOM 1065 N LYS A 71 10.808 5.349 -3.523 1.00 62.31 N ATOM 1066 CA LYS A 71 9.947 6.266 -4.225 1.00 34.41 C ATOM 1067 C LYS A 71 8.889 5.460 -4.946 1.00 23.42 C ATOM 1068 O LYS A 71 9.206 4.740 -5.885 1.00 15.22 O ATOM 1069 CB LYS A 71 10.781 7.146 -5.161 1.00 15.33 C ATOM 1070 CG LYS A 71 10.276 8.585 -5.046 1.00 75.21 C ATOM 1071 CD LYS A 71 10.882 9.235 -3.801 1.00 40.54 C ATOM 1072 CE LYS A 71 10.170 10.552 -3.516 1.00 2.24 C ATOM 1073 NZ LYS A 71 10.783 11.285 -2.396 1.00 3.23 N ATOM 0 H LYS A 71 11.265 4.674 -4.135 1.00 62.31 H new ATOM 0 HA LYS A 71 9.441 6.946 -3.539 1.00 34.41 H new ATOM 0 HB2 LYS A 71 11.836 7.092 -4.893 1.00 15.33 H new ATOM 0 HB3 LYS A 71 10.695 6.795 -6.189 1.00 15.33 H new ATOM 0 HG2 LYS A 71 10.550 9.151 -5.936 1.00 75.21 H new ATOM 0 HG3 LYS A 71 9.188 8.597 -4.984 1.00 75.21 H new ATOM 0 HD2 LYS A 71 10.787 8.566 -2.946 1.00 40.54 H new ATOM 0 HD3 LYS A 71 11.947 9.411 -3.952 1.00 40.54 H new ATOM 0 HE2 LYS A 71 10.191 11.175 -4.410 1.00 2.24 H new ATOM 0 HE3 LYS A 71 9.122 10.355 -3.289 1.00 2.24 H new ATOM 0 HZ1 LYS A 71 10.266 12.174 -2.238 1.00 3.23 H new ATOM 0 HZ2 LYS A 71 10.741 10.703 -1.535 1.00 3.23 H new ATOM 0 HZ3 LYS A 71 11.776 11.497 -2.622 1.00 3.23 H new ATOM 1087 N LEU A 72 7.665 5.501 -4.433 1.00 32.01 N ATOM 1088 CA LEU A 72 6.499 4.864 -5.010 1.00 42.31 C ATOM 1089 C LEU A 72 5.791 5.854 -5.925 1.00 20.24 C ATOM 1090 O LEU A 72 5.417 6.937 -5.468 1.00 60.24 O ATOM 1091 CB LEU A 72 5.573 4.395 -3.883 1.00 0.43 C ATOM 1092 CG LEU A 72 5.478 2.877 -3.691 1.00 24.40 C ATOM 1093 CD1 LEU A 72 5.138 2.083 -4.943 1.00 20.10 C ATOM 1094 CD2 LEU A 72 6.474 2.129 -2.819 1.00 13.22 C ATOM 0 H LEU A 72 7.455 6.000 -3.569 1.00 32.01 H new ATOM 0 HA LEU A 72 6.792 3.996 -5.600 1.00 42.31 H new ATOM 0 HB2 LEU A 72 5.914 4.841 -2.948 1.00 0.43 H new ATOM 0 HB3 LEU A 72 4.572 4.782 -4.075 1.00 0.43 H new ATOM 0 HG LEU A 72 4.611 2.919 -3.032 1.00 24.40 H new ATOM 0 HD11 LEU A 72 5.095 1.021 -4.700 1.00 20.10 H new ATOM 0 HD12 LEU A 72 4.171 2.407 -5.328 1.00 20.10 H new ATOM 0 HD13 LEU A 72 5.904 2.251 -5.700 1.00 20.10 H new ATOM 0 HD21 LEU A 72 6.230 1.067 -2.817 1.00 13.22 H new ATOM 0 HD22 LEU A 72 7.480 2.269 -3.214 1.00 13.22 H new ATOM 0 HD23 LEU A 72 6.427 2.514 -1.800 1.00 13.22 H new ATOM 1106 N SER A 73 5.548 5.432 -7.168 1.00 4.21 N ATOM 1107 CA SER A 73 4.686 6.101 -8.125 1.00 33.30 C ATOM 1108 C SER A 73 3.488 5.179 -8.312 1.00 14.41 C ATOM 1109 O SER A 73 3.643 4.065 -8.816 1.00 33.03 O ATOM 1110 CB SER A 73 5.402 6.290 -9.467 1.00 43.54 C ATOM 1111 OG SER A 73 6.480 7.205 -9.424 1.00 40.52 O ATOM 0 H SER A 73 5.966 4.581 -7.543 1.00 4.21 H new ATOM 0 HA SER A 73 4.398 7.090 -7.769 1.00 33.30 H new ATOM 0 HB2 SER A 73 5.774 5.323 -9.807 1.00 43.54 H new ATOM 0 HB3 SER A 73 4.679 6.632 -10.207 1.00 43.54 H new ATOM 0 HG SER A 73 6.888 7.272 -10.313 1.00 40.52 H new ATOM 1117 N PHE A 74 2.308 5.603 -7.875 1.00 14.31 N ATOM 1118 CA PHE A 74 1.062 4.912 -8.165 1.00 34.23 C ATOM 1119 C PHE A 74 0.516 5.498 -9.460 1.00 44.11 C ATOM 1120 O PHE A 74 0.762 6.664 -9.764 1.00 61.35 O ATOM 1121 CB PHE A 74 0.090 5.098 -6.983 1.00 12.30 C ATOM 1122 CG PHE A 74 0.726 5.107 -5.593 1.00 12.43 C ATOM 1123 CD1 PHE A 74 1.221 3.923 -5.008 1.00 3.24 C ATOM 1124 CD2 PHE A 74 0.859 6.323 -4.888 1.00 73.24 C ATOM 1125 CE1 PHE A 74 1.802 3.950 -3.728 1.00 63.14 C ATOM 1126 CE2 PHE A 74 1.425 6.345 -3.601 1.00 51.42 C ATOM 1127 CZ PHE A 74 1.892 5.157 -3.017 1.00 41.34 C ATOM 0 H PHE A 74 2.190 6.441 -7.306 1.00 14.31 H new ATOM 0 HA PHE A 74 1.207 3.839 -8.292 1.00 34.23 H new ATOM 0 HB2 PHE A 74 -0.446 6.037 -7.122 1.00 12.30 H new ATOM 0 HB3 PHE A 74 -0.651 4.299 -7.018 1.00 12.30 H new ATOM 0 HD1 PHE A 74 1.153 2.989 -5.547 1.00 3.24 H new ATOM 0 HD2 PHE A 74 0.523 7.244 -5.341 1.00 73.24 H new ATOM 0 HE1 PHE A 74 2.181 3.038 -3.290 1.00 63.14 H new ATOM 0 HE2 PHE A 74 1.501 7.277 -3.061 1.00 51.42 H new ATOM 0 HZ PHE A 74 2.319 5.172 -2.025 1.00 41.34 H new ATOM 1137 N ASP A 75 -0.223 4.708 -10.238 1.00 62.44 N ATOM 1138 CA ASP A 75 -0.891 5.290 -11.407 1.00 64.44 C ATOM 1139 C ASP A 75 -2.001 6.241 -10.956 1.00 72.44 C ATOM 1140 O ASP A 75 -2.136 7.361 -11.454 1.00 72.03 O ATOM 1141 CB ASP A 75 -1.483 4.209 -12.300 1.00 21.12 C ATOM 1142 CG ASP A 75 -2.305 4.840 -13.419 1.00 51.22 C ATOM 1143 OD1 ASP A 75 -1.744 5.655 -14.187 1.00 62.13 O ATOM 1144 OD2 ASP A 75 -3.491 4.462 -13.554 1.00 43.42 O ATOM 0 H ASP A 75 -0.372 3.709 -10.094 1.00 62.44 H new ATOM 0 HA ASP A 75 -0.144 5.840 -11.979 1.00 64.44 H new ATOM 0 HB2 ASP A 75 -0.684 3.601 -12.725 1.00 21.12 H new ATOM 0 HB3 ASP A 75 -2.111 3.543 -11.709 1.00 21.12 H new ATOM 1149 N ASP A 76 -2.777 5.799 -9.968 1.00 54.34 N ATOM 1150 CA ASP A 76 -3.915 6.524 -9.412 1.00 1.12 C ATOM 1151 C ASP A 76 -3.464 7.322 -8.179 1.00 74.43 C ATOM 1152 O ASP A 76 -4.129 7.341 -7.141 1.00 42.53 O ATOM 1153 CB ASP A 76 -5.059 5.543 -9.116 1.00 64.13 C ATOM 1154 CG ASP A 76 -6.413 6.232 -8.918 1.00 2.10 C ATOM 1155 OD1 ASP A 76 -6.496 7.480 -8.890 1.00 13.33 O ATOM 1156 OD2 ASP A 76 -7.436 5.514 -8.811 1.00 54.23 O ATOM 0 H ASP A 76 -2.625 4.896 -9.518 1.00 54.34 H new ATOM 0 HA ASP A 76 -4.300 7.246 -10.132 1.00 1.12 H new ATOM 0 HB2 ASP A 76 -5.139 4.830 -9.937 1.00 64.13 H new ATOM 0 HB3 ASP A 76 -4.816 4.972 -8.220 1.00 64.13 H new ATOM 1161 N GLY A 77 -2.291 7.953 -8.248 1.00 22.40 N ATOM 1162 CA GLY A 77 -1.806 8.820 -7.190 1.00 72.45 C ATOM 1163 C GLY A 77 -0.545 9.554 -7.609 1.00 21.20 C ATOM 1164 O GLY A 77 0.120 9.170 -8.567 1.00 1.10 O ATOM 0 H GLY A 77 -1.655 7.873 -9.042 1.00 22.40 H new ATOM 0 HA2 GLY A 77 -2.579 9.542 -6.927 1.00 72.45 H new ATOM 0 HA3 GLY A 77 -1.605 8.229 -6.297 1.00 72.45 H new ATOM 1168 N HIS A 78 -0.225 10.606 -6.864 1.00 20.04 N ATOM 1169 CA HIS A 78 0.902 11.493 -7.112 1.00 34.31 C ATOM 1170 C HIS A 78 2.220 10.879 -6.614 1.00 24.24 C ATOM 1171 O HIS A 78 2.237 9.799 -6.011 1.00 15.21 O ATOM 1172 CB HIS A 78 0.591 12.845 -6.449 1.00 74.05 C ATOM 1173 CG HIS A 78 0.350 12.742 -4.963 1.00 0.51 C ATOM 1174 ND1 HIS A 78 1.320 12.746 -3.989 1.00 63.45 N ATOM 1175 CD2 HIS A 78 -0.863 12.585 -4.346 1.00 1.23 C ATOM 1176 CE1 HIS A 78 0.710 12.582 -2.806 1.00 32.22 C ATOM 1177 NE2 HIS A 78 -0.629 12.489 -2.965 1.00 40.42 N ATOM 0 H HIS A 78 -0.764 10.873 -6.041 1.00 20.04 H new ATOM 0 HA HIS A 78 1.040 11.643 -8.183 1.00 34.31 H new ATOM 0 HB2 HIS A 78 1.421 13.529 -6.629 1.00 74.05 H new ATOM 0 HB3 HIS A 78 -0.289 13.280 -6.923 1.00 74.05 H new ATOM 0 HD2 HIS A 78 -1.826 12.543 -4.834 1.00 1.23 H new ATOM 0 HE1 HIS A 78 1.220 12.531 -1.855 1.00 32.22 H new ATOM 0 HE2 HIS A 78 -1.328 12.373 -2.231 1.00 40.42 H new ATOM 1185 N ASP A 79 3.320 11.613 -6.807 1.00 1.33 N ATOM 1186 CA ASP A 79 4.687 11.280 -6.398 1.00 64.25 C ATOM 1187 C ASP A 79 5.191 12.317 -5.390 1.00 14.13 C ATOM 1188 O ASP A 79 6.066 13.123 -5.686 1.00 35.12 O ATOM 1189 CB ASP A 79 5.631 11.118 -7.617 1.00 0.31 C ATOM 1190 CG ASP A 79 5.644 12.283 -8.625 1.00 71.01 C ATOM 1191 OD1 ASP A 79 6.369 13.297 -8.460 1.00 54.53 O ATOM 1192 OD2 ASP A 79 4.938 12.156 -9.653 1.00 64.25 O ATOM 0 H ASP A 79 3.276 12.514 -7.284 1.00 1.33 H new ATOM 0 HA ASP A 79 4.681 10.309 -5.903 1.00 64.25 H new ATOM 0 HB2 ASP A 79 6.646 10.973 -7.248 1.00 0.31 H new ATOM 0 HB3 ASP A 79 5.352 10.208 -8.148 1.00 0.31 H new ATOM 1197 N SER A 80 4.676 12.311 -4.159 1.00 63.24 N ATOM 1198 CA SER A 80 5.122 13.191 -3.079 1.00 54.11 C ATOM 1199 C SER A 80 4.991 12.452 -1.747 1.00 34.34 C ATOM 1200 O SER A 80 3.940 12.494 -1.099 1.00 61.34 O ATOM 1201 CB SER A 80 4.327 14.506 -3.071 1.00 13.20 C ATOM 1202 OG SER A 80 4.155 15.031 -4.376 1.00 23.40 O ATOM 0 H SER A 80 3.923 11.682 -3.880 1.00 63.24 H new ATOM 0 HA SER A 80 6.168 13.455 -3.238 1.00 54.11 H new ATOM 0 HB2 SER A 80 3.351 14.336 -2.617 1.00 13.20 H new ATOM 0 HB3 SER A 80 4.844 15.238 -2.451 1.00 13.20 H new ATOM 0 HG SER A 80 3.644 15.866 -4.328 1.00 23.40 H new ATOM 1208 N GLY A 81 6.048 11.757 -1.325 1.00 13.53 N ATOM 1209 CA GLY A 81 6.053 11.147 -0.012 1.00 64.13 C ATOM 1210 C GLY A 81 7.343 10.410 0.303 1.00 34.21 C ATOM 1211 O GLY A 81 8.119 10.016 -0.576 1.00 21.30 O ATOM 0 H GLY A 81 6.897 11.608 -1.871 1.00 13.53 H new ATOM 0 HA2 GLY A 81 5.891 11.919 0.740 1.00 64.13 H new ATOM 0 HA3 GLY A 81 5.218 10.451 0.061 1.00 64.13 H new ATOM 1215 N LEU A 82 7.500 10.159 1.600 1.00 32.22 N ATOM 1216 CA LEU A 82 8.538 9.358 2.218 1.00 53.35 C ATOM 1217 C LEU A 82 7.886 8.056 2.671 1.00 60.44 C ATOM 1218 O LEU A 82 6.755 8.073 3.162 1.00 21.43 O ATOM 1219 CB LEU A 82 9.113 10.165 3.398 1.00 24.14 C ATOM 1220 CG LEU A 82 10.139 9.390 4.259 1.00 52.44 C ATOM 1221 CD1 LEU A 82 11.449 10.155 4.434 1.00 51.55 C ATOM 1222 CD2 LEU A 82 9.549 9.067 5.632 1.00 24.43 C ATOM 0 H LEU A 82 6.855 10.541 2.292 1.00 32.22 H new ATOM 0 HA LEU A 82 9.358 9.121 1.540 1.00 53.35 H new ATOM 0 HB2 LEU A 82 9.589 11.066 3.010 1.00 24.14 H new ATOM 0 HB3 LEU A 82 8.291 10.489 4.037 1.00 24.14 H new ATOM 0 HG LEU A 82 10.362 8.466 3.726 1.00 52.44 H new ATOM 0 HD11 LEU A 82 12.134 9.568 5.046 1.00 51.55 H new ATOM 0 HD12 LEU A 82 11.898 10.336 3.457 1.00 51.55 H new ATOM 0 HD13 LEU A 82 11.251 11.108 4.924 1.00 51.55 H new ATOM 0 HD21 LEU A 82 10.284 8.522 6.225 1.00 24.43 H new ATOM 0 HD22 LEU A 82 9.287 9.994 6.142 1.00 24.43 H new ATOM 0 HD23 LEU A 82 8.656 8.455 5.509 1.00 24.43 H new ATOM 1234 N PHE A 83 8.606 6.943 2.547 1.00 71.44 N ATOM 1235 CA PHE A 83 8.233 5.652 3.117 1.00 40.22 C ATOM 1236 C PHE A 83 9.344 5.092 4.024 1.00 14.22 C ATOM 1237 O PHE A 83 9.128 4.073 4.671 1.00 51.14 O ATOM 1238 CB PHE A 83 7.879 4.672 1.981 1.00 23.21 C ATOM 1239 CG PHE A 83 6.420 4.654 1.539 1.00 40.23 C ATOM 1240 CD1 PHE A 83 5.497 3.807 2.187 1.00 21.31 C ATOM 1241 CD2 PHE A 83 5.979 5.439 0.452 1.00 22.00 C ATOM 1242 CE1 PHE A 83 4.155 3.766 1.765 1.00 14.23 C ATOM 1243 CE2 PHE A 83 4.638 5.391 0.032 1.00 11.43 C ATOM 1244 CZ PHE A 83 3.725 4.559 0.697 1.00 42.14 C ATOM 0 H PHE A 83 9.487 6.914 2.034 1.00 71.44 H new ATOM 0 HA PHE A 83 7.355 5.787 3.749 1.00 40.22 H new ATOM 0 HB2 PHE A 83 8.496 4.913 1.116 1.00 23.21 H new ATOM 0 HB3 PHE A 83 8.154 3.666 2.298 1.00 23.21 H new ATOM 0 HD1 PHE A 83 5.821 3.188 3.010 1.00 21.31 H new ATOM 0 HD2 PHE A 83 6.678 6.082 -0.062 1.00 22.00 H new ATOM 0 HE1 PHE A 83 3.453 3.118 2.269 1.00 14.23 H new ATOM 0 HE2 PHE A 83 4.311 5.994 -0.802 1.00 11.43 H new ATOM 0 HZ PHE A 83 2.692 4.531 0.384 1.00 42.14 H new ATOM 1254 N THR A 84 10.519 5.732 4.111 1.00 3.11 N ATOM 1255 CA THR A 84 11.739 5.114 4.647 1.00 55.23 C ATOM 1256 C THR A 84 11.941 3.713 4.025 1.00 22.24 C ATOM 1257 O THR A 84 11.385 3.413 2.966 1.00 51.33 O ATOM 1258 CB THR A 84 11.758 5.112 6.200 1.00 75.24 C ATOM 1259 OG1 THR A 84 10.885 6.042 6.810 1.00 15.50 O ATOM 1260 CG2 THR A 84 13.164 5.458 6.711 1.00 40.32 C ATOM 0 H THR A 84 10.650 6.698 3.810 1.00 3.11 H new ATOM 0 HA THR A 84 12.597 5.721 4.357 1.00 55.23 H new ATOM 0 HB THR A 84 11.433 4.107 6.468 1.00 75.24 H new ATOM 0 HG1 THR A 84 10.960 5.971 7.785 1.00 15.50 H new ATOM 0 HG21 THR A 84 13.166 5.454 7.801 1.00 40.32 H new ATOM 0 HG22 THR A 84 13.877 4.719 6.344 1.00 40.32 H new ATOM 0 HG23 THR A 84 13.449 6.447 6.351 1.00 40.32 H new ATOM 1268 N TRP A 85 12.803 2.885 4.616 1.00 33.33 N ATOM 1269 CA TRP A 85 12.831 1.449 4.362 1.00 15.31 C ATOM 1270 C TRP A 85 12.108 0.637 5.432 1.00 4.10 C ATOM 1271 O TRP A 85 11.544 -0.403 5.098 1.00 33.02 O ATOM 1272 CB TRP A 85 14.288 0.992 4.273 1.00 73.03 C ATOM 1273 CG TRP A 85 14.952 1.351 2.990 1.00 0.12 C ATOM 1274 CD1 TRP A 85 16.063 2.100 2.853 1.00 4.53 C ATOM 1275 CD2 TRP A 85 14.558 0.956 1.646 1.00 21.41 C ATOM 1276 NE1 TRP A 85 16.371 2.219 1.513 1.00 14.52 N ATOM 1277 CE2 TRP A 85 15.493 1.502 0.722 1.00 31.22 C ATOM 1278 CE3 TRP A 85 13.510 0.172 1.123 1.00 62.35 C ATOM 1279 CZ2 TRP A 85 15.404 1.252 -0.657 1.00 23.42 C ATOM 1280 CZ3 TRP A 85 13.419 -0.095 -0.252 1.00 15.53 C ATOM 1281 CH2 TRP A 85 14.367 0.433 -1.140 1.00 44.23 C ATOM 0 H TRP A 85 13.504 3.196 5.288 1.00 33.33 H new ATOM 0 HA TRP A 85 12.304 1.273 3.424 1.00 15.31 H new ATOM 0 HB2 TRP A 85 14.848 1.433 5.097 1.00 73.03 H new ATOM 0 HB3 TRP A 85 14.329 -0.090 4.402 1.00 73.03 H new ATOM 0 HD1 TRP A 85 16.625 2.539 3.664 1.00 4.53 H new ATOM 0 HE1 TRP A 85 17.150 2.768 1.151 1.00 14.52 H new ATOM 0 HE3 TRP A 85 12.764 -0.230 1.792 1.00 62.35 H new ATOM 0 HZ2 TRP A 85 16.123 1.683 -1.338 1.00 23.42 H new ATOM 0 HZ3 TRP A 85 12.615 -0.710 -0.628 1.00 15.53 H new ATOM 0 HH2 TRP A 85 14.301 0.211 -2.195 1.00 44.23 H new ATOM 1292 N ASP A 86 12.145 1.057 6.700 1.00 23.11 N ATOM 1293 CA ASP A 86 11.685 0.204 7.800 1.00 54.41 C ATOM 1294 C ASP A 86 10.192 -0.073 7.672 1.00 14.41 C ATOM 1295 O ASP A 86 9.786 -1.219 7.486 1.00 3.32 O ATOM 1296 CB ASP A 86 12.066 0.799 9.160 1.00 34.02 C ATOM 1297 CG ASP A 86 12.342 -0.315 10.172 1.00 41.42 C ATOM 1298 OD1 ASP A 86 11.411 -1.039 10.580 1.00 34.04 O ATOM 1299 OD2 ASP A 86 13.529 -0.479 10.546 1.00 55.33 O ATOM 0 H ASP A 86 12.485 1.974 6.989 1.00 23.11 H new ATOM 0 HA ASP A 86 12.194 -0.758 7.735 1.00 54.41 H new ATOM 0 HB2 ASP A 86 12.949 1.429 9.054 1.00 34.02 H new ATOM 0 HB3 ASP A 86 11.261 1.437 9.523 1.00 34.02 H new ATOM 1304 N TYR A 87 9.405 1.005 7.633 1.00 62.04 N ATOM 1305 CA TYR A 87 7.966 1.031 7.400 1.00 0.50 C ATOM 1306 C TYR A 87 7.554 0.206 6.172 1.00 54.32 C ATOM 1307 O TYR A 87 6.490 -0.400 6.194 1.00 4.41 O ATOM 1308 CB TYR A 87 7.557 2.504 7.281 1.00 63.15 C ATOM 1309 CG TYR A 87 6.095 2.792 7.001 1.00 11.34 C ATOM 1310 CD1 TYR A 87 5.087 2.202 7.785 1.00 13.34 C ATOM 1311 CD2 TYR A 87 5.743 3.677 5.963 1.00 24.42 C ATOM 1312 CE1 TYR A 87 3.735 2.466 7.514 1.00 1.54 C ATOM 1313 CE2 TYR A 87 4.391 3.935 5.679 1.00 23.23 C ATOM 1314 CZ TYR A 87 3.376 3.317 6.443 1.00 64.33 C ATOM 1315 OH TYR A 87 2.068 3.506 6.109 1.00 40.32 O ATOM 0 H TYR A 87 9.784 1.941 7.773 1.00 62.04 H new ATOM 0 HA TYR A 87 7.442 0.561 8.232 1.00 0.50 H new ATOM 0 HB2 TYR A 87 7.830 3.007 8.209 1.00 63.15 H new ATOM 0 HB3 TYR A 87 8.150 2.957 6.486 1.00 63.15 H new ATOM 0 HD1 TYR A 87 5.354 1.544 8.598 1.00 13.34 H new ATOM 0 HD2 TYR A 87 6.516 4.159 5.383 1.00 24.42 H new ATOM 0 HE1 TYR A 87 2.966 2.018 8.126 1.00 1.54 H new ATOM 0 HE2 TYR A 87 4.128 4.607 4.875 1.00 23.23 H new ATOM 0 HH TYR A 87 1.998 3.681 5.147 1.00 40.32 H new ATOM 1325 N LEU A 88 8.368 0.111 5.112 1.00 3.31 N ATOM 1326 CA LEU A 88 7.993 -0.682 3.938 1.00 11.51 C ATOM 1327 C LEU A 88 7.937 -2.169 4.258 1.00 40.41 C ATOM 1328 O LEU A 88 6.935 -2.829 3.984 1.00 20.03 O ATOM 1329 CB LEU A 88 8.932 -0.433 2.750 1.00 54.31 C ATOM 1330 CG LEU A 88 8.384 0.681 1.854 1.00 71.03 C ATOM 1331 CD1 LEU A 88 9.485 1.147 0.909 1.00 52.52 C ATOM 1332 CD2 LEU A 88 7.175 0.239 1.011 1.00 13.53 C ATOM 0 H LEU A 88 9.278 0.567 5.045 1.00 3.31 H new ATOM 0 HA LEU A 88 6.994 -0.353 3.653 1.00 11.51 H new ATOM 0 HB2 LEU A 88 9.923 -0.160 3.114 1.00 54.31 H new ATOM 0 HB3 LEU A 88 9.046 -1.350 2.171 1.00 54.31 H new ATOM 0 HG LEU A 88 8.051 1.483 2.513 1.00 71.03 H new ATOM 0 HD11 LEU A 88 9.102 1.941 0.267 1.00 52.52 H new ATOM 0 HD12 LEU A 88 10.327 1.524 1.489 1.00 52.52 H new ATOM 0 HD13 LEU A 88 9.814 0.310 0.293 1.00 52.52 H new ATOM 0 HD21 LEU A 88 6.834 1.074 0.398 1.00 13.53 H new ATOM 0 HD22 LEU A 88 7.465 -0.590 0.366 1.00 13.53 H new ATOM 0 HD23 LEU A 88 6.368 -0.080 1.671 1.00 13.53 H new ATOM 1344 N TYR A 89 9.014 -2.707 4.824 1.00 13.32 N ATOM 1345 CA TYR A 89 9.049 -4.102 5.236 1.00 23.41 C ATOM 1346 C TYR A 89 8.139 -4.344 6.445 1.00 43.43 C ATOM 1347 O TYR A 89 7.726 -5.476 6.681 1.00 63.04 O ATOM 1348 CB TYR A 89 10.494 -4.507 5.540 1.00 42.11 C ATOM 1349 CG TYR A 89 11.226 -5.317 4.478 1.00 44.44 C ATOM 1350 CD1 TYR A 89 10.605 -6.328 3.719 1.00 63.35 C ATOM 1351 CD2 TYR A 89 12.588 -5.062 4.265 1.00 41.44 C ATOM 1352 CE1 TYR A 89 11.346 -7.029 2.754 1.00 4.33 C ATOM 1353 CE2 TYR A 89 13.333 -5.740 3.296 1.00 64.23 C ATOM 1354 CZ TYR A 89 12.717 -6.762 2.549 1.00 11.11 C ATOM 1355 OH TYR A 89 13.449 -7.499 1.670 1.00 61.43 O ATOM 0 H TYR A 89 9.876 -2.193 5.007 1.00 13.32 H new ATOM 0 HA TYR A 89 8.673 -4.722 4.422 1.00 23.41 H new ATOM 0 HB2 TYR A 89 11.067 -3.599 5.728 1.00 42.11 H new ATOM 0 HB3 TYR A 89 10.496 -5.083 6.466 1.00 42.11 H new ATOM 0 HD1 TYR A 89 9.563 -6.563 3.879 1.00 63.35 H new ATOM 0 HD2 TYR A 89 13.079 -4.315 4.871 1.00 41.44 H new ATOM 0 HE1 TYR A 89 10.858 -7.786 2.158 1.00 4.33 H new ATOM 0 HE2 TYR A 89 14.368 -5.483 3.123 1.00 64.23 H new ATOM 0 HH TYR A 89 13.278 -8.452 1.820 1.00 61.43 H new ATOM 1365 N GLU A 90 7.830 -3.309 7.219 1.00 13.51 N ATOM 1366 CA GLU A 90 6.874 -3.379 8.307 1.00 20.00 C ATOM 1367 C GLU A 90 5.474 -3.622 7.733 1.00 1.42 C ATOM 1368 O GLU A 90 4.886 -4.675 7.991 1.00 62.10 O ATOM 1369 CB GLU A 90 7.000 -2.099 9.139 1.00 1.24 C ATOM 1370 CG GLU A 90 6.514 -2.283 10.572 1.00 24.03 C ATOM 1371 CD GLU A 90 5.198 -1.594 10.920 1.00 62.33 C ATOM 1372 OE1 GLU A 90 4.370 -1.309 10.038 1.00 11.23 O ATOM 1373 OE2 GLU A 90 4.966 -1.467 12.145 1.00 73.02 O ATOM 0 H GLU A 90 8.246 -2.385 7.102 1.00 13.51 H new ATOM 0 HA GLU A 90 7.072 -4.215 8.978 1.00 20.00 H new ATOM 0 HB2 GLU A 90 8.042 -1.778 9.151 1.00 1.24 H new ATOM 0 HB3 GLU A 90 6.427 -1.303 8.664 1.00 1.24 H new ATOM 0 HG2 GLU A 90 6.406 -3.350 10.765 1.00 24.03 H new ATOM 0 HG3 GLU A 90 7.286 -1.914 11.248 1.00 24.03 H new ATOM 1380 N LEU A 91 5.010 -2.734 6.846 1.00 11.20 N ATOM 1381 CA LEU A 91 3.782 -2.882 6.072 1.00 71.05 C ATOM 1382 C LEU A 91 3.724 -4.258 5.404 1.00 13.32 C ATOM 1383 O LEU A 91 2.662 -4.877 5.417 1.00 55.44 O ATOM 1384 CB LEU A 91 3.690 -1.810 4.969 1.00 13.54 C ATOM 1385 CG LEU A 91 3.358 -0.365 5.389 1.00 53.33 C ATOM 1386 CD1 LEU A 91 3.497 0.537 4.152 1.00 23.33 C ATOM 1387 CD2 LEU A 91 1.944 -0.214 5.954 1.00 0.51 C ATOM 0 H LEU A 91 5.500 -1.863 6.644 1.00 11.20 H new ATOM 0 HA LEU A 91 2.950 -2.768 6.767 1.00 71.05 H new ATOM 0 HB2 LEU A 91 4.643 -1.793 4.440 1.00 13.54 H new ATOM 0 HB3 LEU A 91 2.933 -2.132 4.253 1.00 13.54 H new ATOM 0 HG LEU A 91 4.050 -0.082 6.182 1.00 53.33 H new ATOM 0 HD11 LEU A 91 3.266 1.567 4.425 1.00 23.33 H new ATOM 0 HD12 LEU A 91 4.518 0.482 3.774 1.00 23.33 H new ATOM 0 HD13 LEU A 91 2.805 0.203 3.379 1.00 23.33 H new ATOM 0 HD21 LEU A 91 1.772 0.826 6.231 1.00 0.51 H new ATOM 0 HD22 LEU A 91 1.217 -0.514 5.199 1.00 0.51 H new ATOM 0 HD23 LEU A 91 1.835 -0.847 6.835 1.00 0.51 H new ATOM 1399 N ALA A 92 4.848 -4.747 4.855 1.00 4.11 N ATOM 1400 CA ALA A 92 4.942 -6.041 4.180 1.00 53.14 C ATOM 1401 C ALA A 92 4.282 -7.151 5.004 1.00 64.30 C ATOM 1402 O ALA A 92 3.480 -7.910 4.463 1.00 33.44 O ATOM 1403 CB ALA A 92 6.398 -6.379 3.792 1.00 13.24 C ATOM 0 H ALA A 92 5.732 -4.239 4.871 1.00 4.11 H new ATOM 0 HA ALA A 92 4.384 -5.968 3.247 1.00 53.14 H new ATOM 0 HB1 ALA A 92 6.426 -7.348 3.293 1.00 13.24 H new ATOM 0 HB2 ALA A 92 6.782 -5.613 3.119 1.00 13.24 H new ATOM 0 HB3 ALA A 92 7.015 -6.416 4.690 1.00 13.24 H new ATOM 1409 N THR A 93 4.592 -7.214 6.302 1.00 34.43 N ATOM 1410 CA THR A 93 4.116 -8.278 7.193 1.00 73.02 C ATOM 1411 C THR A 93 2.898 -7.848 8.025 1.00 21.43 C ATOM 1412 O THR A 93 2.174 -8.690 8.564 1.00 4.45 O ATOM 1413 CB THR A 93 5.293 -8.787 8.042 1.00 35.33 C ATOM 1414 OG1 THR A 93 4.966 -9.956 8.774 1.00 44.11 O ATOM 1415 CG2 THR A 93 5.848 -7.740 8.999 1.00 62.12 C ATOM 0 H THR A 93 5.183 -6.525 6.767 1.00 34.43 H new ATOM 0 HA THR A 93 3.749 -9.110 6.593 1.00 73.02 H new ATOM 0 HB THR A 93 6.069 -9.025 7.314 1.00 35.33 H new ATOM 0 HG1 THR A 93 5.744 -10.243 9.297 1.00 44.11 H new ATOM 0 HG21 THR A 93 6.675 -8.167 9.566 1.00 62.12 H new ATOM 0 HG22 THR A 93 6.203 -6.880 8.431 1.00 62.12 H new ATOM 0 HG23 THR A 93 5.063 -7.423 9.686 1.00 62.12 H new ATOM 1423 N ARG A 94 2.639 -6.544 8.142 1.00 21.44 N ATOM 1424 CA ARG A 94 1.482 -6.011 8.861 1.00 41.24 C ATOM 1425 C ARG A 94 0.227 -5.993 7.995 1.00 34.35 C ATOM 1426 O ARG A 94 -0.864 -5.791 8.524 1.00 55.43 O ATOM 1427 CB ARG A 94 1.817 -4.591 9.326 1.00 4.41 C ATOM 1428 CG ARG A 94 2.935 -4.545 10.378 1.00 63.31 C ATOM 1429 CD ARG A 94 2.417 -4.692 11.815 1.00 0.42 C ATOM 1430 NE ARG A 94 2.455 -6.091 12.280 1.00 51.20 N ATOM 1431 CZ ARG A 94 3.529 -6.765 12.709 1.00 41.32 C ATOM 1432 NH1 ARG A 94 4.721 -6.180 12.816 1.00 74.13 N ATOM 1433 NH2 ARG A 94 3.412 -8.049 13.022 1.00 3.51 N ATOM 0 H ARG A 94 3.233 -5.822 7.736 1.00 21.44 H new ATOM 0 HA ARG A 94 1.272 -6.658 9.712 1.00 41.24 H new ATOM 0 HB2 ARG A 94 2.114 -3.994 8.464 1.00 4.41 H new ATOM 0 HB3 ARG A 94 0.920 -4.130 9.739 1.00 4.41 H new ATOM 0 HG2 ARG A 94 3.651 -5.341 10.173 1.00 63.31 H new ATOM 0 HG3 ARG A 94 3.473 -3.601 10.287 1.00 63.31 H new ATOM 0 HD2 ARG A 94 3.018 -4.073 12.481 1.00 0.42 H new ATOM 0 HD3 ARG A 94 1.394 -4.320 11.871 1.00 0.42 H new ATOM 0 HE ARG A 94 1.570 -6.598 12.274 1.00 51.20 H new ATOM 0 HH11 ARG A 94 4.831 -5.197 12.568 1.00 74.13 H new ATOM 0 HH12 ARG A 94 5.524 -6.715 13.146 1.00 74.13 H new ATOM 0 HH21 ARG A 94 2.509 -8.515 12.935 1.00 3.51 H new ATOM 0 HH22 ARG A 94 4.225 -8.570 13.350 1.00 3.51 H new ATOM 1447 N LYS A 95 0.370 -6.182 6.684 1.00 51.50 N ATOM 1448 CA LYS A 95 -0.659 -5.999 5.671 1.00 51.10 C ATOM 1449 C LYS A 95 -1.991 -6.601 6.077 1.00 62.10 C ATOM 1450 O LYS A 95 -2.976 -5.884 6.030 1.00 43.12 O ATOM 1451 CB LYS A 95 -0.117 -6.587 4.361 1.00 24.15 C ATOM 1452 CG LYS A 95 -1.158 -6.954 3.287 1.00 54.22 C ATOM 1453 CD LYS A 95 -0.478 -7.642 2.094 1.00 41.40 C ATOM 1454 CE LYS A 95 -0.295 -9.170 2.152 1.00 43.21 C ATOM 1455 NZ LYS A 95 0.268 -9.706 3.409 1.00 31.44 N ATOM 0 H LYS A 95 1.258 -6.484 6.282 1.00 51.50 H new ATOM 0 HA LYS A 95 -0.872 -4.938 5.542 1.00 51.10 H new ATOM 0 HB2 LYS A 95 0.580 -5.870 3.928 1.00 24.15 H new ATOM 0 HB3 LYS A 95 0.455 -7.483 4.601 1.00 24.15 H new ATOM 0 HG2 LYS A 95 -1.913 -7.615 3.714 1.00 54.22 H new ATOM 0 HG3 LYS A 95 -1.675 -6.055 2.950 1.00 54.22 H new ATOM 0 HD2 LYS A 95 -1.055 -7.408 1.199 1.00 41.40 H new ATOM 0 HD3 LYS A 95 0.506 -7.192 1.965 1.00 41.40 H new ATOM 0 HE2 LYS A 95 -1.264 -9.639 1.982 1.00 43.21 H new ATOM 0 HE3 LYS A 95 0.354 -9.470 1.329 1.00 43.21 H new ATOM 0 HZ1 LYS A 95 0.348 -10.741 3.340 1.00 31.44 H new ATOM 0 HZ2 LYS A 95 1.210 -9.296 3.570 1.00 31.44 H new ATOM 0 HZ3 LYS A 95 -0.357 -9.459 4.202 1.00 31.44 H new ATOM 1469 N ASP A 96 -2.039 -7.876 6.443 1.00 0.21 N ATOM 1470 CA ASP A 96 -3.263 -8.590 6.817 1.00 34.31 C ATOM 1471 C ASP A 96 -4.057 -7.841 7.892 1.00 72.30 C ATOM 1472 O ASP A 96 -5.278 -7.707 7.792 1.00 11.13 O ATOM 1473 CB ASP A 96 -2.871 -9.981 7.325 1.00 3.52 C ATOM 1474 CG ASP A 96 -3.996 -10.683 8.076 1.00 21.14 C ATOM 1475 OD1 ASP A 96 -4.910 -11.232 7.422 1.00 13.33 O ATOM 1476 OD2 ASP A 96 -3.905 -10.755 9.323 1.00 35.15 O ATOM 0 H ASP A 96 -1.206 -8.462 6.491 1.00 0.21 H new ATOM 0 HA ASP A 96 -3.908 -8.667 5.941 1.00 34.31 H new ATOM 0 HB2 ASP A 96 -2.567 -10.598 6.479 1.00 3.52 H new ATOM 0 HB3 ASP A 96 -2.005 -9.891 7.981 1.00 3.52 H new ATOM 1481 N GLN A 97 -3.354 -7.321 8.900 1.00 61.32 N ATOM 1482 CA GLN A 97 -3.942 -6.550 9.977 1.00 55.22 C ATOM 1483 C GLN A 97 -4.535 -5.258 9.422 1.00 11.23 C ATOM 1484 O GLN A 97 -5.727 -5.005 9.599 1.00 51.24 O ATOM 1485 CB GLN A 97 -2.866 -6.296 11.053 1.00 32.45 C ATOM 1486 CG GLN A 97 -3.426 -5.725 12.356 1.00 11.24 C ATOM 1487 CD GLN A 97 -4.536 -6.614 12.900 1.00 60.42 C ATOM 1488 OE1 GLN A 97 -4.291 -7.759 13.289 1.00 63.01 O ATOM 1489 NE2 GLN A 97 -5.763 -6.129 12.883 1.00 54.40 N ATOM 0 H GLN A 97 -2.343 -7.430 8.985 1.00 61.32 H new ATOM 0 HA GLN A 97 -4.759 -7.098 10.445 1.00 55.22 H new ATOM 0 HB2 GLN A 97 -2.351 -7.232 11.268 1.00 32.45 H new ATOM 0 HB3 GLN A 97 -2.121 -5.607 10.655 1.00 32.45 H new ATOM 0 HG2 GLN A 97 -2.628 -5.639 13.094 1.00 11.24 H new ATOM 0 HG3 GLN A 97 -3.810 -4.720 12.183 1.00 11.24 H new ATOM 0 HE21 GLN A 97 -5.931 -5.178 12.555 1.00 54.40 H new ATOM 0 HE22 GLN A 97 -6.544 -6.705 13.198 1.00 54.40 H new ATOM 1498 N LEU A 98 -3.700 -4.471 8.737 1.00 43.21 N ATOM 1499 CA LEU A 98 -4.081 -3.168 8.199 1.00 34.42 C ATOM 1500 C LEU A 98 -5.261 -3.308 7.268 1.00 15.22 C ATOM 1501 O LEU A 98 -6.170 -2.486 7.259 1.00 1.51 O ATOM 1502 CB LEU A 98 -2.951 -2.494 7.408 1.00 61.13 C ATOM 1503 CG LEU A 98 -1.740 -1.918 8.167 1.00 75.30 C ATOM 1504 CD1 LEU A 98 -1.707 -2.245 9.657 1.00 1.42 C ATOM 1505 CD2 LEU A 98 -0.429 -2.374 7.529 1.00 41.34 C ATOM 0 H LEU A 98 -2.732 -4.726 8.540 1.00 43.21 H new ATOM 0 HA LEU A 98 -4.325 -2.550 9.063 1.00 34.42 H new ATOM 0 HB2 LEU A 98 -2.572 -3.223 6.692 1.00 61.13 H new ATOM 0 HB3 LEU A 98 -3.394 -1.681 6.832 1.00 61.13 H new ATOM 0 HG LEU A 98 -1.854 -0.837 8.086 1.00 75.30 H new ATOM 0 HD11 LEU A 98 -0.821 -1.799 10.108 1.00 1.42 H new ATOM 0 HD12 LEU A 98 -2.599 -1.844 10.137 1.00 1.42 H new ATOM 0 HD13 LEU A 98 -1.678 -3.326 9.792 1.00 1.42 H new ATOM 0 HD21 LEU A 98 0.411 -1.954 8.083 1.00 41.34 H new ATOM 0 HD22 LEU A 98 -0.372 -3.462 7.553 1.00 41.34 H new ATOM 0 HD23 LEU A 98 -0.389 -2.031 6.495 1.00 41.34 H new ATOM 1517 N TRP A 99 -5.209 -4.334 6.435 1.00 33.12 N ATOM 1518 CA TRP A 99 -6.118 -4.520 5.346 1.00 43.21 C ATOM 1519 C TRP A 99 -7.506 -4.848 5.865 1.00 21.32 C ATOM 1520 O TRP A 99 -8.466 -4.218 5.433 1.00 11.14 O ATOM 1521 CB TRP A 99 -5.562 -5.596 4.420 1.00 31.03 C ATOM 1522 CG TRP A 99 -6.356 -5.767 3.181 1.00 60.43 C ATOM 1523 CD1 TRP A 99 -6.897 -6.926 2.758 1.00 55.44 C ATOM 1524 CD2 TRP A 99 -6.781 -4.739 2.245 1.00 41.30 C ATOM 1525 NE1 TRP A 99 -7.582 -6.704 1.583 1.00 52.21 N ATOM 1526 CE2 TRP A 99 -7.583 -5.365 1.246 1.00 55.42 C ATOM 1527 CE3 TRP A 99 -6.562 -3.343 2.139 1.00 12.12 C ATOM 1528 CZ2 TRP A 99 -8.159 -4.630 0.201 1.00 15.25 C ATOM 1529 CZ3 TRP A 99 -7.136 -2.602 1.092 1.00 14.43 C ATOM 1530 CH2 TRP A 99 -7.937 -3.245 0.134 1.00 54.14 C ATOM 0 H TRP A 99 -4.510 -5.073 6.510 1.00 33.12 H new ATOM 0 HA TRP A 99 -6.217 -3.600 4.770 1.00 43.21 H new ATOM 0 HB2 TRP A 99 -4.536 -5.343 4.154 1.00 31.03 H new ATOM 0 HB3 TRP A 99 -5.527 -6.545 4.956 1.00 31.03 H new ATOM 0 HD1 TRP A 99 -6.808 -7.878 3.260 1.00 55.44 H new ATOM 0 HE1 TRP A 99 -8.031 -7.436 1.032 1.00 52.21 H new ATOM 0 HE3 TRP A 99 -5.946 -2.842 2.872 1.00 12.12 H new ATOM 0 HZ2 TRP A 99 -8.766 -5.123 -0.544 1.00 15.25 H new ATOM 0 HZ3 TRP A 99 -6.961 -1.538 1.024 1.00 14.43 H new ATOM 0 HH2 TRP A 99 -8.386 -2.669 -0.661 1.00 54.14 H new ATOM 1541 N ALA A 100 -7.621 -5.790 6.803 1.00 3.23 N ATOM 1542 CA ALA A 100 -8.899 -6.142 7.404 1.00 62.02 C ATOM 1543 C ALA A 100 -9.527 -4.934 8.110 1.00 54.22 C ATOM 1544 O ALA A 100 -10.731 -4.706 7.988 1.00 1.22 O ATOM 1545 CB ALA A 100 -8.652 -7.272 8.398 1.00 1.52 C ATOM 0 H ALA A 100 -6.831 -6.326 7.163 1.00 3.23 H new ATOM 0 HA ALA A 100 -9.597 -6.461 6.630 1.00 62.02 H new ATOM 0 HB1 ALA A 100 -9.594 -7.558 8.865 1.00 1.52 H new ATOM 0 HB2 ALA A 100 -8.231 -8.131 7.875 1.00 1.52 H new ATOM 0 HB3 ALA A 100 -7.954 -6.936 9.165 1.00 1.52 H new ATOM 1551 N ASP A 101 -8.707 -4.147 8.813 1.00 31.13 N ATOM 1552 CA ASP A 101 -9.086 -2.873 9.429 1.00 75.42 C ATOM 1553 C ASP A 101 -9.670 -1.948 8.342 1.00 21.12 C ATOM 1554 O ASP A 101 -10.795 -1.456 8.467 1.00 0.34 O ATOM 1555 CB ASP A 101 -7.834 -2.293 10.115 1.00 51.41 C ATOM 1556 CG ASP A 101 -8.082 -1.322 11.271 1.00 61.10 C ATOM 1557 OD1 ASP A 101 -8.835 -0.335 11.096 1.00 34.03 O ATOM 1558 OD2 ASP A 101 -7.412 -1.505 12.316 1.00 33.44 O ATOM 0 H ASP A 101 -7.729 -4.388 8.974 1.00 31.13 H new ATOM 0 HA ASP A 101 -9.859 -2.992 10.188 1.00 75.42 H new ATOM 0 HB2 ASP A 101 -7.233 -3.122 10.488 1.00 51.41 H new ATOM 0 HB3 ASP A 101 -7.237 -1.781 9.360 1.00 51.41 H new ATOM 1563 N TYR A 102 -8.950 -1.808 7.221 1.00 55.13 N ATOM 1564 CA TYR A 102 -9.359 -1.074 6.020 1.00 52.23 C ATOM 1565 C TYR A 102 -10.659 -1.586 5.373 1.00 12.33 C ATOM 1566 O TYR A 102 -11.362 -0.793 4.735 1.00 60.24 O ATOM 1567 CB TYR A 102 -8.226 -1.078 4.966 1.00 24.42 C ATOM 1568 CG TYR A 102 -7.753 0.307 4.583 1.00 20.45 C ATOM 1569 CD1 TYR A 102 -8.588 1.128 3.805 1.00 42.41 C ATOM 1570 CD2 TYR A 102 -6.525 0.801 5.066 1.00 62.30 C ATOM 1571 CE1 TYR A 102 -8.233 2.462 3.556 1.00 63.12 C ATOM 1572 CE2 TYR A 102 -6.202 2.161 4.879 1.00 64.33 C ATOM 1573 CZ TYR A 102 -7.082 3.007 4.164 1.00 71.12 C ATOM 1574 OH TYR A 102 -6.867 4.347 4.070 1.00 42.51 O ATOM 0 H TYR A 102 -8.024 -2.224 7.124 1.00 55.13 H new ATOM 0 HA TYR A 102 -9.562 -0.059 6.362 1.00 52.23 H new ATOM 0 HB2 TYR A 102 -7.381 -1.647 5.354 1.00 24.42 H new ATOM 0 HB3 TYR A 102 -8.574 -1.595 4.072 1.00 24.42 H new ATOM 0 HD1 TYR A 102 -9.506 0.730 3.398 1.00 42.41 H new ATOM 0 HD2 TYR A 102 -5.836 0.143 5.575 1.00 62.30 H new ATOM 0 HE1 TYR A 102 -8.839 3.070 2.901 1.00 63.12 H new ATOM 0 HE2 TYR A 102 -5.282 2.557 5.282 1.00 64.33 H new ATOM 0 HH TYR A 102 -5.917 4.515 3.899 1.00 42.51 H new ATOM 1584 N LEU A 103 -10.982 -2.885 5.445 1.00 4.41 N ATOM 1585 CA LEU A 103 -12.250 -3.409 4.939 1.00 20.02 C ATOM 1586 C LEU A 103 -13.391 -2.990 5.854 1.00 11.34 C ATOM 1587 O LEU A 103 -14.418 -2.529 5.348 1.00 64.04 O ATOM 1588 CB LEU A 103 -12.278 -4.947 4.805 1.00 15.15 C ATOM 1589 CG LEU A 103 -11.761 -5.581 3.501 1.00 22.44 C ATOM 1590 CD1 LEU A 103 -12.266 -4.872 2.244 1.00 53.51 C ATOM 1591 CD2 LEU A 103 -10.245 -5.663 3.414 1.00 60.34 C ATOM 0 H LEU A 103 -10.374 -3.594 5.853 1.00 4.41 H new ATOM 0 HA LEU A 103 -12.365 -2.988 3.940 1.00 20.02 H new ATOM 0 HB2 LEU A 103 -11.697 -5.362 5.628 1.00 15.15 H new ATOM 0 HB3 LEU A 103 -13.308 -5.273 4.946 1.00 15.15 H new ATOM 0 HG LEU A 103 -12.168 -6.591 3.541 1.00 22.44 H new ATOM 0 HD11 LEU A 103 -11.865 -5.368 1.360 1.00 53.51 H new ATOM 0 HD12 LEU A 103 -13.355 -4.909 2.218 1.00 53.51 H new ATOM 0 HD13 LEU A 103 -11.939 -3.832 2.256 1.00 53.51 H new ATOM 0 HD21 LEU A 103 -9.959 -6.121 2.467 1.00 60.34 H new ATOM 0 HD22 LEU A 103 -9.822 -4.660 3.474 1.00 60.34 H new ATOM 0 HD23 LEU A 103 -9.865 -6.267 4.238 1.00 60.34 H new ATOM 1603 N ALA A 104 -13.233 -3.161 7.169 1.00 35.24 N ATOM 1604 CA ALA A 104 -14.269 -2.838 8.143 1.00 14.51 C ATOM 1605 C ALA A 104 -14.622 -1.352 8.084 1.00 20.15 C ATOM 1606 O ALA A 104 -15.802 -0.996 8.109 1.00 14.21 O ATOM 1607 CB ALA A 104 -13.800 -3.217 9.544 1.00 63.20 C ATOM 0 H ALA A 104 -12.378 -3.529 7.586 1.00 35.24 H new ATOM 0 HA ALA A 104 -15.165 -3.410 7.902 1.00 14.51 H new ATOM 0 HB1 ALA A 104 -14.579 -2.973 10.267 1.00 63.20 H new ATOM 0 HB2 ALA A 104 -13.592 -4.286 9.581 1.00 63.20 H new ATOM 0 HB3 ALA A 104 -12.893 -2.663 9.787 1.00 63.20 H new ATOM 1613 N GLU A 105 -13.605 -0.503 7.934 1.00 44.14 N ATOM 1614 CA GLU A 105 -13.751 0.923 7.687 1.00 22.31 C ATOM 1615 C GLU A 105 -14.631 1.150 6.449 1.00 14.21 C ATOM 1616 O GLU A 105 -15.653 1.832 6.526 1.00 61.21 O ATOM 1617 CB GLU A 105 -12.363 1.541 7.500 1.00 51.12 C ATOM 1618 CG GLU A 105 -11.720 2.022 8.807 1.00 15.51 C ATOM 1619 CD GLU A 105 -11.891 3.538 8.984 1.00 54.34 C ATOM 1620 OE1 GLU A 105 -12.957 3.969 9.488 1.00 62.24 O ATOM 1621 OE2 GLU A 105 -10.989 4.300 8.566 1.00 55.22 O ATOM 0 H GLU A 105 -12.631 -0.802 7.983 1.00 44.14 H new ATOM 0 HA GLU A 105 -14.237 1.403 8.536 1.00 22.31 H new ATOM 0 HB2 GLU A 105 -11.708 0.806 7.032 1.00 51.12 H new ATOM 0 HB3 GLU A 105 -12.440 2.383 6.812 1.00 51.12 H new ATOM 0 HG2 GLU A 105 -12.172 1.501 9.651 1.00 15.51 H new ATOM 0 HG3 GLU A 105 -10.659 1.770 8.808 1.00 15.51 H new ATOM 1628 N LEU A 106 -14.275 0.559 5.297 1.00 42.22 N ATOM 1629 CA LEU A 106 -15.032 0.723 4.053 1.00 72.31 C ATOM 1630 C LEU A 106 -16.471 0.239 4.191 1.00 21.13 C ATOM 1631 O LEU A 106 -17.373 0.819 3.583 1.00 32.25 O ATOM 1632 CB LEU A 106 -14.350 -0.032 2.884 1.00 42.50 C ATOM 1633 CG LEU A 106 -13.829 0.850 1.733 1.00 33.45 C ATOM 1634 CD1 LEU A 106 -14.892 1.853 1.298 1.00 3.35 C ATOM 1635 CD2 LEU A 106 -12.544 1.559 2.174 1.00 51.41 C ATOM 0 H LEU A 106 -13.457 -0.043 5.205 1.00 42.22 H new ATOM 0 HA LEU A 106 -15.047 1.791 3.837 1.00 72.31 H new ATOM 0 HB2 LEU A 106 -13.514 -0.606 3.285 1.00 42.50 H new ATOM 0 HB3 LEU A 106 -15.062 -0.749 2.474 1.00 42.50 H new ATOM 0 HG LEU A 106 -13.603 0.221 0.872 1.00 33.45 H new ATOM 0 HD11 LEU A 106 -14.503 2.465 0.484 1.00 3.35 H new ATOM 0 HD12 LEU A 106 -15.779 1.319 0.958 1.00 3.35 H new ATOM 0 HD13 LEU A 106 -15.155 2.493 2.140 1.00 3.35 H new ATOM 0 HD21 LEU A 106 -12.175 2.183 1.360 1.00 51.41 H new ATOM 0 HD22 LEU A 106 -12.752 2.182 3.043 1.00 51.41 H new ATOM 0 HD23 LEU A 106 -11.789 0.816 2.433 1.00 51.41 H new ATOM 1647 N ALA A 107 -16.665 -0.840 4.952 1.00 31.11 N ATOM 1648 CA ALA A 107 -17.963 -1.422 5.216 1.00 51.22 C ATOM 1649 C ALA A 107 -18.807 -0.401 5.972 1.00 0.25 C ATOM 1650 O ALA A 107 -19.903 -0.071 5.512 1.00 4.24 O ATOM 1651 CB ALA A 107 -17.818 -2.747 5.971 1.00 75.20 C ATOM 0 H ALA A 107 -15.900 -1.338 5.408 1.00 31.11 H new ATOM 0 HA ALA A 107 -18.471 -1.662 4.282 1.00 51.22 H new ATOM 0 HB1 ALA A 107 -18.805 -3.168 6.160 1.00 75.20 H new ATOM 0 HB2 ALA A 107 -17.234 -3.445 5.371 1.00 75.20 H new ATOM 0 HB3 ALA A 107 -17.311 -2.572 6.920 1.00 75.20 H new ATOM 1657 N SER A 108 -18.269 0.115 7.083 1.00 4.45 N ATOM 1658 CA SER A 108 -18.911 1.102 7.932 1.00 32.32 C ATOM 1659 C SER A 108 -19.291 2.331 7.114 1.00 74.32 C ATOM 1660 O SER A 108 -20.468 2.701 7.078 1.00 72.22 O ATOM 1661 CB SER A 108 -18.002 1.475 9.112 1.00 0.34 C ATOM 1662 OG SER A 108 -18.711 2.302 10.018 1.00 61.10 O ATOM 0 H SER A 108 -17.345 -0.157 7.419 1.00 4.45 H new ATOM 0 HA SER A 108 -19.825 0.672 8.343 1.00 32.32 H new ATOM 0 HB2 SER A 108 -17.660 0.573 9.619 1.00 0.34 H new ATOM 0 HB3 SER A 108 -17.114 1.993 8.750 1.00 0.34 H new ATOM 0 HG SER A 108 -18.129 2.537 10.771 1.00 61.10 H new ATOM 1668 N ALA A 109 -18.316 2.937 6.432 1.00 72.31 N ATOM 1669 CA ALA A 109 -18.459 4.222 5.762 1.00 14.55 C ATOM 1670 C ALA A 109 -19.428 4.202 4.575 1.00 12.32 C ATOM 1671 O ALA A 109 -19.649 5.257 3.977 1.00 43.21 O ATOM 1672 CB ALA A 109 -17.082 4.691 5.287 1.00 73.31 C ATOM 0 H ALA A 109 -17.384 2.534 6.331 1.00 72.31 H new ATOM 0 HA ALA A 109 -18.886 4.910 6.492 1.00 14.55 H new ATOM 0 HB1 ALA A 109 -17.179 5.653 4.784 1.00 73.31 H new ATOM 0 HB2 ALA A 109 -16.417 4.795 6.145 1.00 73.31 H new ATOM 0 HB3 ALA A 109 -16.667 3.959 4.594 1.00 73.31 H new ATOM 1678 N GLY A 110 -19.965 3.037 4.194 1.00 33.15 N ATOM 1679 CA GLY A 110 -20.945 2.926 3.126 1.00 71.44 C ATOM 1680 C GLY A 110 -20.376 3.377 1.783 1.00 24.03 C ATOM 1681 O GLY A 110 -21.068 4.055 1.025 1.00 72.44 O ATOM 0 H GLY A 110 -19.725 2.144 4.625 1.00 33.15 H new ATOM 0 HA2 GLY A 110 -21.282 1.892 3.049 1.00 71.44 H new ATOM 0 HA3 GLY A 110 -21.819 3.529 3.371 1.00 71.44 H new ATOM 1685 N LYS A 111 -19.119 3.022 1.492 1.00 20.12 N ATOM 1686 CA LYS A 111 -18.520 3.166 0.164 1.00 24.42 C ATOM 1687 C LYS A 111 -17.990 1.803 -0.249 1.00 74.23 C ATOM 1688 O LYS A 111 -18.291 0.789 0.393 1.00 14.33 O ATOM 1689 CB LYS A 111 -17.390 4.205 0.162 1.00 4.22 C ATOM 1690 CG LYS A 111 -17.733 5.574 0.752 1.00 64.30 C ATOM 1691 CD LYS A 111 -18.656 6.354 -0.178 1.00 21.12 C ATOM 1692 CE LYS A 111 -18.800 7.788 0.330 1.00 35.13 C ATOM 1693 NZ LYS A 111 -19.484 8.633 -0.669 1.00 4.41 N ATOM 0 H LYS A 111 -18.483 2.622 2.182 1.00 20.12 H new ATOM 0 HA LYS A 111 -19.272 3.520 -0.541 1.00 24.42 H new ATOM 0 HB2 LYS A 111 -16.546 3.795 0.716 1.00 4.22 H new ATOM 0 HB3 LYS A 111 -17.057 4.348 -0.866 1.00 4.22 H new ATOM 0 HG2 LYS A 111 -18.212 5.446 1.723 1.00 64.30 H new ATOM 0 HG3 LYS A 111 -16.817 6.141 0.921 1.00 64.30 H new ATOM 0 HD2 LYS A 111 -18.253 6.355 -1.191 1.00 21.12 H new ATOM 0 HD3 LYS A 111 -19.633 5.874 -0.224 1.00 21.12 H new ATOM 0 HE2 LYS A 111 -19.363 7.793 1.263 1.00 35.13 H new ATOM 0 HE3 LYS A 111 -17.816 8.201 0.549 1.00 35.13 H new ATOM 0 HZ1 LYS A 111 -19.571 9.602 -0.303 1.00 4.41 H new ATOM 0 HZ2 LYS A 111 -18.932 8.644 -1.550 1.00 4.41 H new ATOM 0 HZ3 LYS A 111 -20.432 8.248 -0.859 1.00 4.41 H new ATOM 1707 N SER A 112 -17.157 1.743 -1.279 1.00 53.33 N ATOM 1708 CA SER A 112 -16.535 0.509 -1.695 1.00 72.00 C ATOM 1709 C SER A 112 -15.152 0.762 -2.253 1.00 63.14 C ATOM 1710 O SER A 112 -14.638 1.882 -2.325 1.00 60.42 O ATOM 1711 CB SER A 112 -17.455 -0.174 -2.687 1.00 54.12 C ATOM 1712 OG SER A 112 -17.077 -1.527 -2.856 1.00 72.13 O ATOM 0 H SER A 112 -16.898 2.552 -1.844 1.00 53.33 H new ATOM 0 HA SER A 112 -16.391 -0.154 -0.842 1.00 72.00 H new ATOM 0 HB2 SER A 112 -18.485 -0.118 -2.336 1.00 54.12 H new ATOM 0 HB3 SER A 112 -17.416 0.344 -3.645 1.00 54.12 H new ATOM 0 HG SER A 112 -17.868 -2.063 -3.071 1.00 72.13 H new ATOM 1718 N ARG A 113 -14.483 -0.335 -2.571 1.00 33.43 N ATOM 1719 CA ARG A 113 -13.281 -0.300 -3.370 1.00 73.14 C ATOM 1720 C ARG A 113 -13.599 0.160 -4.774 1.00 31.01 C ATOM 1721 O ARG A 113 -12.786 0.891 -5.334 1.00 75.23 O ATOM 1722 CB ARG A 113 -12.601 -1.660 -3.329 1.00 34.14 C ATOM 1723 CG ARG A 113 -12.146 -1.934 -1.892 1.00 2.42 C ATOM 1724 CD ARG A 113 -10.970 -2.888 -1.852 1.00 64.04 C ATOM 1725 NE ARG A 113 -11.374 -4.263 -1.589 1.00 11.11 N ATOM 1726 CZ ARG A 113 -10.974 -5.347 -2.259 1.00 40.12 C ATOM 1727 NH1 ARG A 113 -9.934 -5.286 -3.087 1.00 55.23 N ATOM 1728 NH2 ARG A 113 -11.629 -6.487 -2.071 1.00 21.14 N ATOM 0 H ARG A 113 -14.763 -1.272 -2.280 1.00 33.43 H new ATOM 0 HA ARG A 113 -12.578 0.424 -2.959 1.00 73.14 H new ATOM 0 HB2 ARG A 113 -13.288 -2.437 -3.663 1.00 34.14 H new ATOM 0 HB3 ARG A 113 -11.747 -1.677 -4.006 1.00 34.14 H new ATOM 0 HG2 ARG A 113 -11.870 -0.995 -1.412 1.00 2.42 H new ATOM 0 HG3 ARG A 113 -12.975 -2.353 -1.321 1.00 2.42 H new ATOM 0 HD2 ARG A 113 -10.439 -2.845 -2.803 1.00 64.04 H new ATOM 0 HD3 ARG A 113 -10.270 -2.565 -1.081 1.00 64.04 H new ATOM 0 HE ARG A 113 -12.025 -4.412 -0.818 1.00 11.11 H new ATOM 0 HH11 ARG A 113 -9.435 -4.406 -3.215 1.00 55.23 H new ATOM 0 HH12 ARG A 113 -9.636 -6.119 -3.594 1.00 55.23 H new ATOM 0 HH21 ARG A 113 -12.419 -6.521 -1.426 1.00 21.14 H new ATOM 0 HH22 ARG A 113 -11.342 -7.328 -2.571 1.00 21.14 H new ATOM 1742 N ASP A 114 -14.733 -0.251 -5.332 1.00 61.40 N ATOM 1743 CA ASP A 114 -15.185 0.377 -6.576 1.00 41.51 C ATOM 1744 C ASP A 114 -15.744 1.749 -6.220 1.00 53.12 C ATOM 1745 O ASP A 114 -16.273 1.910 -5.114 1.00 12.41 O ATOM 1746 CB ASP A 114 -16.224 -0.476 -7.318 1.00 71.20 C ATOM 1747 CG ASP A 114 -15.918 -0.777 -8.790 1.00 74.31 C ATOM 1748 OD1 ASP A 114 -14.742 -0.826 -9.194 1.00 32.44 O ATOM 1749 OD2 ASP A 114 -16.898 -0.919 -9.566 1.00 62.23 O ATOM 0 H ASP A 114 -15.337 -0.986 -4.964 1.00 61.40 H new ATOM 0 HA ASP A 114 -14.344 0.473 -7.262 1.00 41.51 H new ATOM 0 HB2 ASP A 114 -16.332 -1.423 -6.789 1.00 71.20 H new ATOM 0 HB3 ASP A 114 -17.187 0.031 -7.264 1.00 71.20 H new ATOM 1754 N PRO A 115 -15.664 2.737 -7.119 1.00 4.53 N ATOM 1755 CA PRO A 115 -16.115 4.083 -6.815 1.00 12.25 C ATOM 1756 C PRO A 115 -17.626 4.137 -6.629 1.00 11.15 C ATOM 1757 O PRO A 115 -18.105 4.817 -5.716 1.00 72.14 O ATOM 1758 CB PRO A 115 -15.634 4.958 -7.973 1.00 60.12 C ATOM 1759 CG PRO A 115 -15.429 3.976 -9.126 1.00 12.31 C ATOM 1760 CD PRO A 115 -15.076 2.661 -8.446 1.00 21.02 C ATOM 0 HA PRO A 115 -15.705 4.440 -5.870 1.00 12.25 H new ATOM 0 HB2 PRO A 115 -16.369 5.722 -8.227 1.00 60.12 H new ATOM 0 HB3 PRO A 115 -14.709 5.477 -7.722 1.00 60.12 H new ATOM 0 HG2 PRO A 115 -16.330 3.881 -9.732 1.00 12.31 H new ATOM 0 HG3 PRO A 115 -14.631 4.306 -9.792 1.00 12.31 H new ATOM 0 HD2 PRO A 115 -15.474 1.813 -9.003 1.00 21.02 H new ATOM 0 HD3 PRO A 115 -13.996 2.527 -8.389 1.00 21.02 H new ATOM 1768 N ASP A 116 -18.368 3.388 -7.445 1.00 3.11 N ATOM 1769 CA ASP A 116 -19.821 3.435 -7.480 1.00 75.30 C ATOM 1770 C ASP A 116 -20.364 2.009 -7.508 1.00 63.02 C ATOM 1771 O ASP A 116 -20.826 1.514 -8.539 1.00 41.21 O ATOM 1772 CB ASP A 116 -20.292 4.300 -8.658 1.00 23.11 C ATOM 1773 CG ASP A 116 -21.681 4.872 -8.401 1.00 34.31 C ATOM 1774 OD1 ASP A 116 -22.527 4.214 -7.748 1.00 4.54 O ATOM 1775 OD2 ASP A 116 -21.885 6.049 -8.762 1.00 42.52 O ATOM 0 H ASP A 116 -17.967 2.724 -8.107 1.00 3.11 H new ATOM 0 HA ASP A 116 -20.218 3.910 -6.583 1.00 75.30 H new ATOM 0 HB2 ASP A 116 -19.585 5.114 -8.821 1.00 23.11 H new ATOM 0 HB3 ASP A 116 -20.305 3.702 -9.569 1.00 23.11 H new ATOM 1780 N GLU A 117 -20.193 1.318 -6.384 1.00 20.11 N ATOM 1781 CA GLU A 117 -20.431 -0.107 -6.214 1.00 3.23 C ATOM 1782 C GLU A 117 -21.796 -0.371 -5.551 1.00 32.45 C ATOM 1783 O GLU A 117 -22.084 0.192 -4.486 1.00 51.14 O ATOM 1784 CB GLU A 117 -19.277 -0.643 -5.353 1.00 33.44 C ATOM 1785 CG GLU A 117 -18.850 -2.056 -5.737 1.00 12.24 C ATOM 1786 CD GLU A 117 -19.935 -3.054 -5.379 1.00 64.20 C ATOM 1787 OE1 GLU A 117 -20.104 -3.362 -4.171 1.00 60.21 O ATOM 1788 OE2 GLU A 117 -20.685 -3.433 -6.298 1.00 12.11 O ATOM 0 H GLU A 117 -19.868 1.762 -5.525 1.00 20.11 H new ATOM 0 HA GLU A 117 -20.463 -0.614 -7.178 1.00 3.23 H new ATOM 0 HB2 GLU A 117 -18.422 0.026 -5.445 1.00 33.44 H new ATOM 0 HB3 GLU A 117 -19.578 -0.633 -4.305 1.00 33.44 H new ATOM 0 HG2 GLU A 117 -18.644 -2.102 -6.806 1.00 12.24 H new ATOM 0 HG3 GLU A 117 -17.925 -2.315 -5.222 1.00 12.24 H new ATOM 1795 N SER A 118 -22.607 -1.271 -6.107 1.00 31.21 N ATOM 1796 CA SER A 118 -23.947 -1.636 -5.660 1.00 44.12 C ATOM 1797 C SER A 118 -24.252 -3.075 -6.079 1.00 20.15 C ATOM 1798 O SER A 118 -24.727 -3.335 -7.191 1.00 13.12 O ATOM 1799 CB SER A 118 -24.986 -0.678 -6.243 1.00 35.03 C ATOM 1800 OG SER A 118 -24.835 0.630 -5.721 1.00 60.22 O ATOM 0 H SER A 118 -22.325 -1.797 -6.934 1.00 31.21 H new ATOM 0 HA SER A 118 -23.992 -1.564 -4.573 1.00 44.12 H new ATOM 0 HB2 SER A 118 -24.890 -0.651 -7.328 1.00 35.03 H new ATOM 0 HB3 SER A 118 -25.988 -1.046 -6.021 1.00 35.03 H new ATOM 0 HG SER A 118 -25.512 1.219 -6.114 1.00 60.22 H new ATOM 1806 N VAL A 119 -23.974 -4.024 -5.189 1.00 52.30 N ATOM 1807 CA VAL A 119 -24.332 -5.426 -5.331 1.00 51.40 C ATOM 1808 C VAL A 119 -24.478 -6.054 -3.947 1.00 44.32 C ATOM 1809 O VAL A 119 -24.031 -5.510 -2.935 1.00 43.51 O ATOM 1810 CB VAL A 119 -23.262 -6.131 -6.188 1.00 40.22 C ATOM 1811 CG1 VAL A 119 -21.940 -6.223 -5.424 1.00 54.13 C ATOM 1812 CG2 VAL A 119 -23.679 -7.520 -6.689 1.00 11.14 C ATOM 0 H VAL A 119 -23.476 -3.828 -4.321 1.00 52.30 H new ATOM 0 HA VAL A 119 -25.290 -5.534 -5.839 1.00 51.40 H new ATOM 0 HB VAL A 119 -23.138 -5.512 -7.076 1.00 40.22 H new ATOM 0 HG11 VAL A 119 -21.196 -6.723 -6.044 1.00 54.13 H new ATOM 0 HG12 VAL A 119 -21.592 -5.220 -5.177 1.00 54.13 H new ATOM 0 HG13 VAL A 119 -22.089 -6.791 -4.506 1.00 54.13 H new ATOM 0 HG21 VAL A 119 -22.873 -7.949 -7.284 1.00 11.14 H new ATOM 0 HG22 VAL A 119 -23.886 -8.167 -5.837 1.00 11.14 H new ATOM 0 HG23 VAL A 119 -24.575 -7.431 -7.303 1.00 11.14 H new ATOM 1822 N VAL A 120 -25.087 -7.227 -3.910 1.00 35.03 N ATOM 1823 CA VAL A 120 -25.194 -8.113 -2.766 1.00 61.31 C ATOM 1824 C VAL A 120 -24.099 -9.184 -2.863 1.00 0.55 C ATOM 1825 O VAL A 120 -24.347 -10.302 -3.326 1.00 52.44 O ATOM 1826 CB VAL A 120 -26.630 -8.677 -2.718 1.00 74.40 C ATOM 1827 CG1 VAL A 120 -27.569 -7.611 -2.140 1.00 60.22 C ATOM 1828 CG2 VAL A 120 -27.206 -9.144 -4.072 1.00 12.42 C ATOM 0 H VAL A 120 -25.550 -7.610 -4.734 1.00 35.03 H new ATOM 0 HA VAL A 120 -25.029 -7.593 -1.822 1.00 61.31 H new ATOM 0 HB VAL A 120 -26.565 -9.568 -2.093 1.00 74.40 H new ATOM 0 HG11 VAL A 120 -28.585 -8.003 -2.103 1.00 60.22 H new ATOM 0 HG12 VAL A 120 -27.245 -7.348 -1.133 1.00 60.22 H new ATOM 0 HG13 VAL A 120 -27.545 -6.723 -2.772 1.00 60.22 H new ATOM 0 HG21 VAL A 120 -28.218 -9.522 -3.926 1.00 12.42 H new ATOM 0 HG22 VAL A 120 -27.229 -8.304 -4.767 1.00 12.42 H new ATOM 0 HG23 VAL A 120 -26.578 -9.936 -4.481 1.00 12.42 H new ATOM 1838 N LYS A 121 -22.859 -8.840 -2.496 1.00 51.22 N ATOM 1839 CA LYS A 121 -21.769 -9.813 -2.421 1.00 64.31 C ATOM 1840 C LYS A 121 -21.751 -10.363 -1.002 1.00 11.25 C ATOM 1841 O LYS A 121 -22.366 -11.404 -0.775 1.00 72.04 O ATOM 1842 CB LYS A 121 -20.431 -9.213 -2.892 1.00 43.21 C ATOM 1843 CG LYS A 121 -20.371 -9.051 -4.422 1.00 60.24 C ATOM 1844 CD LYS A 121 -19.955 -10.318 -5.174 1.00 13.34 C ATOM 1845 CE LYS A 121 -19.757 -10.061 -6.677 1.00 31.45 C ATOM 1846 NZ LYS A 121 -20.996 -9.690 -7.390 1.00 15.15 N ATOM 0 H LYS A 121 -22.587 -7.889 -2.246 1.00 51.22 H new ATOM 0 HA LYS A 121 -21.931 -10.642 -3.109 1.00 64.31 H new ATOM 0 HB2 LYS A 121 -20.284 -8.242 -2.420 1.00 43.21 H new ATOM 0 HB3 LYS A 121 -19.612 -9.854 -2.564 1.00 43.21 H new ATOM 0 HG2 LYS A 121 -21.350 -8.735 -4.781 1.00 60.24 H new ATOM 0 HG3 LYS A 121 -19.670 -8.252 -4.664 1.00 60.24 H new ATOM 0 HD2 LYS A 121 -19.029 -10.704 -4.748 1.00 13.34 H new ATOM 0 HD3 LYS A 121 -20.715 -11.087 -5.035 1.00 13.34 H new ATOM 0 HE2 LYS A 121 -19.023 -9.265 -6.806 1.00 31.45 H new ATOM 0 HE3 LYS A 121 -19.339 -10.957 -7.137 1.00 31.45 H new ATOM 0 HZ1 LYS A 121 -21.143 -10.338 -8.190 1.00 15.15 H new ATOM 0 HZ2 LYS A 121 -21.804 -9.755 -6.739 1.00 15.15 H new ATOM 0 HZ3 LYS A 121 -20.914 -8.716 -7.744 1.00 15.15 H new ATOM 1860 N LEU A 122 -21.090 -9.700 -0.046 1.00 63.00 N ATOM 1861 CA LEU A 122 -21.013 -10.161 1.341 1.00 72.42 C ATOM 1862 C LEU A 122 -20.531 -9.035 2.257 1.00 42.50 C ATOM 1863 O LEU A 122 -20.103 -7.974 1.785 1.00 61.00 O ATOM 1864 CB LEU A 122 -20.050 -11.369 1.416 1.00 23.12 C ATOM 1865 CG LEU A 122 -20.180 -12.309 2.632 1.00 71.14 C ATOM 1866 CD1 LEU A 122 -21.631 -12.694 2.932 1.00 44.51 C ATOM 1867 CD2 LEU A 122 -19.386 -13.586 2.344 1.00 41.44 C ATOM 0 H LEU A 122 -20.592 -8.826 -0.215 1.00 63.00 H new ATOM 0 HA LEU A 122 -22.005 -10.464 1.677 1.00 72.42 H new ATOM 0 HB2 LEU A 122 -20.187 -11.965 0.514 1.00 23.12 H new ATOM 0 HB3 LEU A 122 -19.029 -10.987 1.394 1.00 23.12 H new ATOM 0 HG LEU A 122 -19.795 -11.778 3.503 1.00 71.14 H new ATOM 0 HD11 LEU A 122 -21.660 -13.356 3.797 1.00 44.51 H new ATOM 0 HD12 LEU A 122 -22.210 -11.795 3.143 1.00 44.51 H new ATOM 0 HD13 LEU A 122 -22.058 -13.206 2.069 1.00 44.51 H new ATOM 0 HD21 LEU A 122 -19.466 -14.264 3.194 1.00 41.44 H new ATOM 0 HD22 LEU A 122 -19.787 -14.071 1.454 1.00 41.44 H new ATOM 0 HD23 LEU A 122 -18.339 -13.334 2.179 1.00 41.44 H new ATOM 1879 N MET A 123 -20.522 -9.292 3.565 1.00 33.24 N ATOM 1880 CA MET A 123 -19.686 -8.592 4.534 1.00 55.21 C ATOM 1881 C MET A 123 -19.165 -9.596 5.566 1.00 72.12 C ATOM 1882 O MET A 123 -17.955 -9.685 5.752 1.00 13.21 O ATOM 1883 CB MET A 123 -20.452 -7.436 5.204 1.00 74.30 C ATOM 1884 CG MET A 123 -19.504 -6.569 6.045 1.00 31.35 C ATOM 1885 SD MET A 123 -20.329 -5.430 7.191 1.00 42.20 S ATOM 1886 CE MET A 123 -18.958 -5.161 8.355 1.00 60.12 C ATOM 0 H MET A 123 -21.110 -10.010 3.988 1.00 33.24 H new ATOM 0 HA MET A 123 -18.837 -8.144 4.017 1.00 55.21 H new ATOM 0 HB2 MET A 123 -20.933 -6.823 4.442 1.00 74.30 H new ATOM 0 HB3 MET A 123 -21.243 -7.837 5.837 1.00 74.30 H new ATOM 0 HG2 MET A 123 -18.846 -7.224 6.617 1.00 31.35 H new ATOM 0 HG3 MET A 123 -18.871 -5.990 5.372 1.00 31.35 H new ATOM 0 HE1 MET A 123 -19.190 -4.315 9.001 1.00 60.12 H new ATOM 0 HE2 MET A 123 -18.817 -6.054 8.963 1.00 60.12 H new ATOM 0 HE3 MET A 123 -18.044 -4.953 7.799 1.00 60.12 H new ATOM 1896 N LEU A 124 -20.065 -10.327 6.237 1.00 72.34 N ATOM 1897 CA LEU A 124 -19.746 -11.219 7.349 1.00 31.41 C ATOM 1898 C LEU A 124 -20.479 -12.535 7.125 1.00 20.42 C ATOM 1899 O LEU A 124 -20.293 -13.112 6.032 1.00 44.14 O ATOM 1900 CB LEU A 124 -20.116 -10.551 8.690 1.00 13.24 C ATOM 1901 CG LEU A 124 -19.310 -9.293 9.055 1.00 31.14 C ATOM 1902 CD1 LEU A 124 -19.978 -8.607 10.249 1.00 33.33 C ATOM 1903 CD2 LEU A 124 -17.860 -9.634 9.412 1.00 13.31 C ATOM 0 H LEU A 124 -21.060 -10.311 6.012 1.00 72.34 H new ATOM 0 HA LEU A 124 -18.676 -11.423 7.394 1.00 31.41 H new ATOM 0 HB2 LEU A 124 -21.173 -10.287 8.664 1.00 13.24 H new ATOM 0 HB3 LEU A 124 -19.990 -11.284 9.487 1.00 13.24 H new ATOM 0 HG LEU A 124 -19.295 -8.632 8.189 1.00 31.14 H new ATOM 0 HD11 LEU A 124 -19.415 -7.713 10.517 1.00 33.33 H new ATOM 0 HD12 LEU A 124 -20.998 -8.328 9.984 1.00 33.33 H new ATOM 0 HD13 LEU A 124 -19.998 -9.291 11.097 1.00 33.33 H new ATOM 0 HD21 LEU A 124 -17.323 -8.720 9.664 1.00 13.31 H new ATOM 0 HD22 LEU A 124 -17.845 -10.311 10.266 1.00 13.31 H new ATOM 0 HD23 LEU A 124 -17.379 -10.114 8.560 1.00 13.31 H new TER 1915 LEU A 124