USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1104 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 32 TYR OH : rot -142:sc= -1.48! USER MOD Set 1.2: A 34 SER OG : rot 84:sc= -3.74! USER MOD Set 1.3: A 36 HIS : no HD1:sc= -4.09! C(o=-25!,f=-31!) USER MOD Set 1.4: A 41 CYS SG : rot -53:sc= -0.263 USER MOD Set 1.5: A 45 THR OG1 : rot 176:sc= -0.958! USER MOD Set 1.6: A 79 TYR OH : rot 30:sc= 0.478 USER MOD Set 1.7: A 84 HIS : no HE2:sc= -14.8! C(o=-25!,f=-26!) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -176:sc= -6.27! (180deg=-6.44!) USER MOD Set 2.2: A 80 MET CE :methyl -150:sc= -0.464 (180deg=-2.09!) USER MOD Set 3.1: A 13 ASN : amide:sc= -1.51! C(o=-1.4!,f=-1.3!) USER MOD Set 3.2: A 15 CYS SG : rot 180:sc= 0.0741 USER MOD Set 4.1: A 5 GLN : amide:sc= -0.254 K(o=-0.25,f=-3.8!) USER MOD Set 4.2: A 20 ASN : amide:sc=-0.000289 X(o=-0.25,f=-0.67) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -1.13 (180deg=-1.48!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.214) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= -2.49! USER MOD Single : A 51 MET CE :methyl 171:sc= -1.87 (180deg=-2.47) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.352 USER MOD Single : A 53 SER OG : rot 12:sc= 0.71 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 56:sc= -12! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 171:sc= 1.2! USER MOD Single : A 76 MET CE :methyl -164:sc= -1.13 (180deg=-2.23!) USER MOD Single : A 78 GLN : amide:sc= 0.0634 X(o=0.063,f=-0.14) USER MOD Single : A 81 MET CE :methyl -150:sc= -0.544 (180deg=-2.75!) USER MOD Single : A 83 SER OG : rot 84:sc= 0.0143! USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 49:sc= -0.154 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc=-0.00799 X(o=-0.008,f=-0.36) USER MOD Single : A 101 THR OG1 : rot -76:sc= 0.189 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 30:sc= 0 USER MOD Single : A 107 THR OG1 : rot -69:sc= 1.09 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 160:sc= -0.42 (180deg=-0.943) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.802 USER MOD Single : A 123 SER OG : rot -150:sc= 0.462 USER MOD Single : A 124 MET CE :methyl 146:sc= -14! (180deg=-17.4!) USER MOD Single : A 125 ASN :FLIP amide:sc= -5.38! C(o=-11!,f=-5.4!) USER MOD Single : A 131 GLN : amide:sc= -15.3! C(o=-15!,f=-17!) USER MOD Single : A 132 SER OG : rot 65:sc= 0.39 USER MOD Single : A 139 GLN : amide:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : A 140 ASN : amide:sc= -2.5 K(o=-2.5,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 101.034 -14.488 4.840 1.00 0.00 N ATOM 2 CA MET A 1 100.844 -13.748 6.120 1.00 0.00 C ATOM 3 C MET A 1 101.977 -12.743 6.297 1.00 0.00 C ATOM 4 O MET A 1 101.802 -11.547 6.059 1.00 0.00 O ATOM 5 CB MET A 1 100.841 -14.742 7.283 1.00 0.00 C ATOM 6 CG MET A 1 100.758 -16.169 6.737 1.00 0.00 C ATOM 7 SD MET A 1 100.498 -17.324 8.106 1.00 0.00 S ATOM 8 CE MET A 1 100.021 -18.756 7.106 1.00 0.00 C ATOM 0 H1 MET A 1 100.196 -15.074 4.650 1.00 0.00 H new ATOM 0 H2 MET A 1 101.165 -13.809 4.063 1.00 0.00 H new ATOM 0 H3 MET A 1 101.874 -15.097 4.913 1.00 0.00 H new ATOM 0 HA MET A 1 99.893 -13.215 6.101 1.00 0.00 H new ATOM 0 HB2 MET A 1 101.745 -14.622 7.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 99.996 -14.544 7.942 1.00 0.00 H new ATOM 0 HG2 MET A 1 99.941 -16.249 6.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 101.675 -16.420 6.204 1.00 0.00 H new ATOM 0 HE1 MET A 1 99.810 -19.602 7.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 99.130 -18.515 6.527 1.00 0.00 H new ATOM 0 HE3 MET A 1 100.835 -19.014 6.429 1.00 0.00 H new ATOM 20 N GLU A 2 103.139 -13.236 6.713 1.00 0.00 N ATOM 21 CA GLU A 2 104.295 -12.370 6.918 1.00 0.00 C ATOM 22 C GLU A 2 104.850 -11.892 5.581 1.00 0.00 C ATOM 23 O GLU A 2 105.868 -11.201 5.532 1.00 0.00 O ATOM 24 CB GLU A 2 105.383 -13.126 7.682 1.00 0.00 C ATOM 25 CG GLU A 2 104.930 -13.353 9.126 1.00 0.00 C ATOM 26 CD GLU A 2 106.133 -13.316 10.062 1.00 0.00 C ATOM 27 OE1 GLU A 2 106.742 -12.264 10.170 1.00 0.00 O ATOM 28 OE2 GLU A 2 106.428 -14.338 10.658 1.00 0.00 O ATOM 0 H GLU A 2 103.305 -14.222 6.913 1.00 0.00 H new ATOM 0 HA GLU A 2 103.978 -11.503 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 2 105.584 -14.082 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 2 106.314 -12.559 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 2 104.210 -12.587 9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 2 104.423 -14.314 9.210 1.00 0.00 H new ATOM 35 N PHE A 3 104.175 -12.263 4.498 1.00 0.00 N ATOM 36 CA PHE A 3 104.610 -11.865 3.164 1.00 0.00 C ATOM 37 C PHE A 3 104.988 -10.387 3.142 1.00 0.00 C ATOM 38 O PHE A 3 104.914 -9.702 4.162 1.00 0.00 O ATOM 39 CB PHE A 3 103.494 -12.123 2.151 1.00 0.00 C ATOM 40 CG PHE A 3 103.746 -13.435 1.448 1.00 0.00 C ATOM 41 CD1 PHE A 3 104.222 -14.536 2.169 1.00 0.00 C ATOM 42 CD2 PHE A 3 103.504 -13.550 0.073 1.00 0.00 C ATOM 43 CE1 PHE A 3 104.456 -15.753 1.517 1.00 0.00 C ATOM 44 CE2 PHE A 3 103.739 -14.766 -0.579 1.00 0.00 C ATOM 45 CZ PHE A 3 104.214 -15.868 0.143 1.00 0.00 C ATOM 0 H PHE A 3 103.330 -12.835 4.517 1.00 0.00 H new ATOM 0 HA PHE A 3 105.486 -12.457 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 3 102.528 -12.148 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 3 103.453 -11.311 1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 3 104.409 -14.447 3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 3 103.136 -12.701 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 3 104.823 -16.602 2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 3 103.554 -14.855 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 3 104.394 -16.807 -0.360 1.00 0.00 H new ATOM 55 N ILE A 4 105.392 -9.903 1.972 1.00 0.00 N ATOM 56 CA ILE A 4 105.780 -8.505 1.828 1.00 0.00 C ATOM 57 C ILE A 4 104.595 -7.666 1.361 1.00 0.00 C ATOM 58 O ILE A 4 104.398 -6.542 1.819 1.00 0.00 O ATOM 59 CB ILE A 4 106.922 -8.382 0.820 1.00 0.00 C ATOM 60 CG1 ILE A 4 106.802 -9.496 -0.224 1.00 0.00 C ATOM 61 CG2 ILE A 4 108.263 -8.509 1.545 1.00 0.00 C ATOM 62 CD1 ILE A 4 107.482 -9.055 -1.522 1.00 0.00 C ATOM 0 H ILE A 4 105.459 -10.453 1.116 1.00 0.00 H new ATOM 0 HA ILE A 4 106.111 -8.137 2.799 1.00 0.00 H new ATOM 0 HB ILE A 4 106.866 -7.411 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 4 107.265 -10.410 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 4 105.752 -9.723 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 4 109.076 -8.421 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 4 108.351 -7.718 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 4 108.319 -9.479 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 4 107.397 -9.848 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 4 106.999 -8.153 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 4 108.535 -8.850 -1.330 1.00 0.00 H new ATOM 74 N GLN A 5 103.809 -8.224 0.448 1.00 0.00 N ATOM 75 CA GLN A 5 102.647 -7.517 -0.078 1.00 0.00 C ATOM 76 C GLN A 5 102.024 -6.634 0.998 1.00 0.00 C ATOM 77 O GLN A 5 101.579 -7.124 2.037 1.00 0.00 O ATOM 78 CB GLN A 5 101.607 -8.522 -0.580 1.00 0.00 C ATOM 79 CG GLN A 5 102.120 -9.195 -1.854 1.00 0.00 C ATOM 80 CD GLN A 5 100.955 -9.489 -2.792 1.00 0.00 C ATOM 81 OE1 GLN A 5 99.853 -8.976 -2.596 1.00 0.00 O ATOM 82 NE2 GLN A 5 101.132 -10.289 -3.808 1.00 0.00 N ATOM 0 H GLN A 5 103.953 -9.156 0.059 1.00 0.00 H new ATOM 0 HA GLN A 5 102.973 -6.887 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 5 101.411 -9.272 0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 5 100.663 -8.015 -0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 5 102.844 -8.549 -2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 5 102.638 -10.120 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 5 102.045 -10.714 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 5 100.357 -10.490 -4.440 1.00 0.00 H new ATOM 91 N GLY A 6 101.997 -5.330 0.743 1.00 0.00 N ATOM 92 CA GLY A 6 101.426 -4.386 1.696 1.00 0.00 C ATOM 93 C GLY A 6 102.418 -3.277 2.032 1.00 0.00 C ATOM 94 O GLY A 6 102.041 -2.237 2.571 1.00 0.00 O ATOM 0 H GLY A 6 102.361 -4.905 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 6 100.516 -3.951 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 6 101.141 -4.912 2.607 1.00 0.00 H new ATOM 98 N ILE A 7 103.689 -3.505 1.712 1.00 0.00 N ATOM 99 CA ILE A 7 104.721 -2.523 1.984 1.00 0.00 C ATOM 100 C ILE A 7 105.064 -1.738 0.723 1.00 0.00 C ATOM 101 O ILE A 7 104.572 -2.044 -0.364 1.00 0.00 O ATOM 102 CB ILE A 7 105.971 -3.228 2.498 1.00 0.00 C ATOM 103 CG1 ILE A 7 106.476 -4.207 1.438 1.00 0.00 C ATOM 104 CG2 ILE A 7 105.637 -3.990 3.781 1.00 0.00 C ATOM 105 CD1 ILE A 7 107.771 -4.862 1.921 1.00 0.00 C ATOM 0 H ILE A 7 104.023 -4.359 1.266 1.00 0.00 H new ATOM 0 HA ILE A 7 104.350 -1.828 2.738 1.00 0.00 H new ATOM 0 HB ILE A 7 106.745 -2.489 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 7 105.722 -4.969 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 7 106.650 -3.683 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 7 106.531 -4.494 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 7 105.278 -3.291 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 7 104.863 -4.729 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 7 108.130 -5.560 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 7 108.525 -4.094 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 7 107.582 -5.400 2.850 1.00 0.00 H new ATOM 117 N LYS A 8 105.909 -0.725 0.876 1.00 0.00 N ATOM 118 CA LYS A 8 106.311 0.097 -0.255 1.00 0.00 C ATOM 119 C LYS A 8 107.796 -0.082 -0.551 1.00 0.00 C ATOM 120 O LYS A 8 108.627 -0.072 0.356 1.00 0.00 O ATOM 121 CB LYS A 8 106.020 1.570 0.041 1.00 0.00 C ATOM 122 CG LYS A 8 106.988 2.079 1.109 1.00 0.00 C ATOM 123 CD LYS A 8 106.818 1.257 2.389 1.00 0.00 C ATOM 124 CE LYS A 8 107.135 2.133 3.603 1.00 0.00 C ATOM 125 NZ LYS A 8 106.949 1.338 4.850 1.00 0.00 N ATOM 0 H LYS A 8 106.326 -0.456 1.767 1.00 0.00 H new ATOM 0 HA LYS A 8 105.740 -0.218 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 8 106.123 2.161 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.992 1.687 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 8 108.014 2.003 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.799 3.133 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 8 105.799 0.877 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 8 107.480 0.391 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 8 108.159 2.500 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 8 106.483 3.007 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 107.164 1.932 5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 105.964 1.008 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 107.589 0.518 4.838 1.00 0.00 H new ATOM 139 N LEU A 9 108.123 -0.244 -1.829 1.00 0.00 N ATOM 140 CA LEU A 9 109.510 -0.423 -2.238 1.00 0.00 C ATOM 141 C LEU A 9 110.101 0.901 -2.709 1.00 0.00 C ATOM 142 O LEU A 9 109.372 1.858 -2.968 1.00 0.00 O ATOM 143 CB LEU A 9 109.596 -1.454 -3.365 1.00 0.00 C ATOM 144 CG LEU A 9 110.478 -2.620 -2.920 1.00 0.00 C ATOM 145 CD1 LEU A 9 109.779 -3.390 -1.799 1.00 0.00 C ATOM 146 CD2 LEU A 9 110.724 -3.558 -4.103 1.00 0.00 C ATOM 0 H LEU A 9 107.450 -0.255 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 9 110.080 -0.779 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 9 108.599 -1.814 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 9 110.008 -0.994 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 9 111.431 -2.234 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 9 110.408 -4.222 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 9 109.605 -2.724 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 9 108.825 -3.774 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 9 111.353 -4.389 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 9 109.771 -3.943 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 9 111.223 -3.011 -4.903 1.00 0.00 H new ATOM 158 N VAL A 10 111.425 0.952 -2.817 1.00 0.00 N ATOM 159 CA VAL A 10 112.094 2.170 -3.258 1.00 0.00 C ATOM 160 C VAL A 10 112.809 1.942 -4.585 1.00 0.00 C ATOM 161 O VAL A 10 113.652 1.052 -4.703 1.00 0.00 O ATOM 162 CB VAL A 10 113.105 2.621 -2.202 1.00 0.00 C ATOM 163 CG1 VAL A 10 114.179 3.488 -2.861 1.00 0.00 C ATOM 164 CG2 VAL A 10 112.385 3.434 -1.124 1.00 0.00 C ATOM 0 H VAL A 10 112.050 0.173 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 10 111.340 2.945 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 10 113.572 1.747 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 10 114.899 3.809 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 10 114.691 2.910 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 10 113.713 4.363 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 10 113.104 3.756 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 10 111.919 4.308 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 10 111.619 2.817 -0.654 1.00 0.00 H new ATOM 174 N LYS A 11 112.468 2.752 -5.582 1.00 0.00 N ATOM 175 CA LYS A 11 113.086 2.632 -6.898 1.00 0.00 C ATOM 176 C LYS A 11 114.455 3.303 -6.906 1.00 0.00 C ATOM 177 O LYS A 11 114.635 4.376 -6.331 1.00 0.00 O ATOM 178 CB LYS A 11 112.193 3.281 -7.957 1.00 0.00 C ATOM 179 CG LYS A 11 110.736 3.240 -7.493 1.00 0.00 C ATOM 180 CD LYS A 11 109.836 3.821 -8.586 1.00 0.00 C ATOM 181 CE LYS A 11 109.532 2.741 -9.626 1.00 0.00 C ATOM 182 NZ LYS A 11 108.675 3.314 -10.702 1.00 0.00 N ATOM 0 H LYS A 11 111.772 3.494 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 11 113.208 1.573 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 11 112.503 4.312 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 11 112.298 2.757 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.442 2.214 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 11 110.621 3.810 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 11 108.909 4.191 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.326 4.671 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 11 110.460 2.359 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 11 109.027 1.899 -9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 108.468 2.580 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 107.784 3.658 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 109.173 4.104 -11.159 1.00 0.00 H new ATOM 196 N LYS A 12 115.419 2.662 -7.562 1.00 0.00 N ATOM 197 CA LYS A 12 116.770 3.206 -7.638 1.00 0.00 C ATOM 198 C LYS A 12 116.728 4.707 -7.905 1.00 0.00 C ATOM 199 O LYS A 12 117.629 5.444 -7.502 1.00 0.00 O ATOM 200 CB LYS A 12 117.552 2.509 -8.754 1.00 0.00 C ATOM 201 CG LYS A 12 116.792 2.646 -10.074 1.00 0.00 C ATOM 202 CD LYS A 12 116.270 1.274 -10.508 1.00 0.00 C ATOM 203 CE LYS A 12 117.438 0.408 -10.983 1.00 0.00 C ATOM 204 NZ LYS A 12 118.715 0.948 -10.436 1.00 0.00 N ATOM 0 H LYS A 12 115.291 1.773 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 12 117.266 3.031 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 12 118.545 2.950 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 12 117.692 1.456 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 12 115.962 3.342 -9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 12 117.447 3.057 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 12 115.759 0.789 -9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 12 115.539 1.388 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 12 117.297 -0.622 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 12 117.474 0.394 -12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 119.514 0.400 -10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 118.817 1.945 -10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 118.706 0.876 -9.399 1.00 0.00 H new ATOM 218 N ASN A 13 115.675 5.153 -8.581 1.00 0.00 N ATOM 219 CA ASN A 13 115.526 6.569 -8.890 1.00 0.00 C ATOM 220 C ASN A 13 115.146 7.349 -7.636 1.00 0.00 C ATOM 221 O ASN A 13 114.594 8.445 -7.717 1.00 0.00 O ATOM 222 CB ASN A 13 114.448 6.761 -9.959 1.00 0.00 C ATOM 223 CG ASN A 13 114.290 8.243 -10.282 1.00 0.00 C ATOM 224 OD1 ASN A 13 115.162 8.838 -10.915 1.00 0.00 O ATOM 225 ND2 ASN A 13 113.223 8.878 -9.881 1.00 0.00 N ATOM 0 H ASN A 13 114.919 4.560 -8.923 1.00 0.00 H new ATOM 0 HA ASN A 13 116.478 6.944 -9.266 1.00 0.00 H new ATOM 0 HB2 ASN A 13 114.717 6.211 -10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 13 113.500 6.354 -9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 13 113.110 9.870 -10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 13 112.502 8.383 -9.357 1.00 0.00 H new ATOM 232 N ARG A 14 115.446 6.771 -6.477 1.00 0.00 N ATOM 233 CA ARG A 14 115.131 7.416 -5.207 1.00 0.00 C ATOM 234 C ARG A 14 113.627 7.627 -5.075 1.00 0.00 C ATOM 235 O ARG A 14 113.176 8.513 -4.349 1.00 0.00 O ATOM 236 CB ARG A 14 115.849 8.765 -5.113 1.00 0.00 C ATOM 237 CG ARG A 14 117.355 8.532 -4.972 1.00 0.00 C ATOM 238 CD ARG A 14 118.093 9.864 -5.116 1.00 0.00 C ATOM 239 NE ARG A 14 119.378 9.807 -4.429 1.00 0.00 N ATOM 240 CZ ARG A 14 120.486 9.457 -5.073 1.00 0.00 C ATOM 241 NH1 ARG A 14 120.436 9.157 -6.341 1.00 0.00 N ATOM 242 NH2 ARG A 14 121.624 9.412 -4.435 1.00 0.00 N ATOM 0 H ARG A 14 115.904 5.864 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 14 115.469 6.769 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 14 115.644 9.361 -6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 14 115.476 9.329 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 14 117.575 8.085 -4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 14 117.698 7.830 -5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 14 118.247 10.090 -6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 14 117.487 10.670 -4.702 1.00 0.00 H new ATOM 0 HE ARG A 14 119.427 10.040 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 14 119.546 9.191 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 14 121.287 8.888 -6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 14 121.662 9.645 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 14 122.475 9.143 -4.929 1.00 0.00 H new ATOM 256 N CYS A 15 112.856 6.809 -5.784 1.00 0.00 N ATOM 257 CA CYS A 15 111.403 6.916 -5.741 1.00 0.00 C ATOM 258 C CYS A 15 110.809 5.821 -4.860 1.00 0.00 C ATOM 259 O CYS A 15 111.512 4.908 -4.430 1.00 0.00 O ATOM 260 CB CYS A 15 110.829 6.803 -7.155 1.00 0.00 C ATOM 261 SG CYS A 15 110.385 8.451 -7.758 1.00 0.00 S ATOM 0 H CYS A 15 113.210 6.070 -6.391 1.00 0.00 H new ATOM 0 HA CYS A 15 111.142 7.887 -5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 15 111.561 6.345 -7.821 1.00 0.00 H new ATOM 0 HB3 CYS A 15 109.952 6.156 -7.152 1.00 0.00 H new ATOM 0 HG CYS A 15 109.899 8.357 -8.960 1.00 0.00 H new ATOM 267 N GLU A 16 109.510 5.923 -4.595 1.00 0.00 N ATOM 268 CA GLU A 16 108.831 4.937 -3.767 1.00 0.00 C ATOM 269 C GLU A 16 107.634 4.348 -4.506 1.00 0.00 C ATOM 270 O GLU A 16 107.014 5.015 -5.334 1.00 0.00 O ATOM 271 CB GLU A 16 108.360 5.584 -2.463 1.00 0.00 C ATOM 272 CG GLU A 16 107.636 6.895 -2.776 1.00 0.00 C ATOM 273 CD GLU A 16 107.287 7.620 -1.482 1.00 0.00 C ATOM 274 OE1 GLU A 16 108.179 7.814 -0.674 1.00 0.00 O ATOM 275 OE2 GLU A 16 106.129 7.972 -1.318 1.00 0.00 O ATOM 0 H GLU A 16 108.912 6.674 -4.940 1.00 0.00 H new ATOM 0 HA GLU A 16 109.534 4.135 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 16 107.694 4.907 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 16 109.212 5.774 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 16 108.267 7.529 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 16 106.729 6.692 -3.345 1.00 0.00 H new ATOM 282 N VAL A 17 107.317 3.094 -4.203 1.00 0.00 N ATOM 283 CA VAL A 17 106.194 2.421 -4.848 1.00 0.00 C ATOM 284 C VAL A 17 105.634 1.323 -3.948 1.00 0.00 C ATOM 285 O VAL A 17 106.216 1.001 -2.913 1.00 0.00 O ATOM 286 CB VAL A 17 106.640 1.817 -6.179 1.00 0.00 C ATOM 287 CG1 VAL A 17 106.274 2.766 -7.320 1.00 0.00 C ATOM 288 CG2 VAL A 17 108.155 1.604 -6.160 1.00 0.00 C ATOM 0 H VAL A 17 107.817 2.526 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 17 105.411 3.158 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 17 106.139 0.860 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 17 106.593 2.334 -8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 17 105.195 2.918 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 17 106.773 3.723 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 17 108.474 1.173 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 17 108.655 2.561 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 17 108.417 0.926 -5.348 1.00 0.00 H new ATOM 298 N ASN A 18 104.501 0.756 -4.350 1.00 0.00 N ATOM 299 CA ASN A 18 103.870 -0.304 -3.573 1.00 0.00 C ATOM 300 C ASN A 18 104.336 -1.676 -4.055 1.00 0.00 C ATOM 301 O ASN A 18 103.891 -2.162 -5.095 1.00 0.00 O ATOM 302 CB ASN A 18 102.348 -0.207 -3.699 1.00 0.00 C ATOM 303 CG ASN A 18 101.876 1.178 -3.272 1.00 0.00 C ATOM 304 OD1 ASN A 18 102.404 1.746 -2.315 1.00 0.00 O ATOM 305 ND2 ASN A 18 100.911 1.760 -3.929 1.00 0.00 N ATOM 0 H ASN A 18 104.004 1.011 -5.204 1.00 0.00 H new ATOM 0 HA ASN A 18 104.158 -0.183 -2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 18 102.047 -0.401 -4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 18 101.874 -0.969 -3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 18 100.592 2.688 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 18 100.476 1.287 -4.721 1.00 0.00 H new ATOM 312 N ALA A 19 105.234 -2.296 -3.294 1.00 0.00 N ATOM 313 CA ALA A 19 105.753 -3.612 -3.655 1.00 0.00 C ATOM 314 C ALA A 19 104.655 -4.488 -4.249 1.00 0.00 C ATOM 315 O ALA A 19 104.934 -5.417 -5.006 1.00 0.00 O ATOM 316 CB ALA A 19 106.342 -4.298 -2.420 1.00 0.00 C ATOM 0 H ALA A 19 105.615 -1.912 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 19 106.532 -3.475 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 19 106.727 -5.279 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 19 107.153 -3.690 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 19 105.566 -4.414 -1.663 1.00 0.00 H new ATOM 322 N ASN A 20 103.407 -4.189 -3.905 1.00 0.00 N ATOM 323 CA ASN A 20 102.282 -4.962 -4.415 1.00 0.00 C ATOM 324 C ASN A 20 102.368 -5.084 -5.931 1.00 0.00 C ATOM 325 O ASN A 20 102.404 -6.188 -6.476 1.00 0.00 O ATOM 326 CB ASN A 20 100.965 -4.284 -4.031 1.00 0.00 C ATOM 327 CG ASN A 20 100.271 -5.079 -2.930 1.00 0.00 C ATOM 328 OD1 ASN A 20 99.911 -6.238 -3.132 1.00 0.00 O ATOM 329 ND2 ASN A 20 100.061 -4.521 -1.768 1.00 0.00 N ATOM 0 H ASN A 20 103.151 -3.424 -3.281 1.00 0.00 H new ATOM 0 HA ASN A 20 102.318 -5.959 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 20 101.156 -3.266 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 20 100.316 -4.212 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 20 99.598 -5.046 -1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 20 100.360 -3.560 -1.602 1.00 0.00 H new ATOM 336 N GLU A 21 102.407 -3.942 -6.603 1.00 0.00 N ATOM 337 CA GLU A 21 102.493 -3.921 -8.058 1.00 0.00 C ATOM 338 C GLU A 21 103.942 -3.751 -8.501 1.00 0.00 C ATOM 339 O GLU A 21 104.318 -4.162 -9.599 1.00 0.00 O ATOM 340 CB GLU A 21 101.648 -2.776 -8.617 1.00 0.00 C ATOM 341 CG GLU A 21 100.266 -2.793 -7.961 1.00 0.00 C ATOM 342 CD GLU A 21 99.398 -3.871 -8.601 1.00 0.00 C ATOM 343 OE1 GLU A 21 99.489 -4.039 -9.805 1.00 0.00 O ATOM 344 OE2 GLU A 21 98.654 -4.512 -7.877 1.00 0.00 O ATOM 0 H GLU A 21 102.381 -3.020 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 21 102.114 -4.868 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 21 102.140 -1.822 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 21 101.550 -2.876 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 21 100.364 -2.981 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 21 99.790 -1.819 -8.071 1.00 0.00 H new ATOM 351 N ALA A 22 104.747 -3.141 -7.639 1.00 0.00 N ATOM 352 CA ALA A 22 106.153 -2.916 -7.948 1.00 0.00 C ATOM 353 C ALA A 22 106.869 -4.238 -8.206 1.00 0.00 C ATOM 354 O ALA A 22 107.730 -4.329 -9.081 1.00 0.00 O ATOM 355 CB ALA A 22 106.827 -2.181 -6.788 1.00 0.00 C ATOM 0 H ALA A 22 104.452 -2.795 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 22 106.215 -2.307 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 22 107.878 -2.015 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 22 106.335 -1.221 -6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 22 106.749 -2.782 -5.882 1.00 0.00 H new ATOM 361 N LEU A 23 106.507 -5.260 -7.440 1.00 0.00 N ATOM 362 CA LEU A 23 107.124 -6.574 -7.598 1.00 0.00 C ATOM 363 C LEU A 23 106.682 -7.217 -8.906 1.00 0.00 C ATOM 364 O LEU A 23 106.765 -8.435 -9.068 1.00 0.00 O ATOM 365 CB LEU A 23 106.741 -7.481 -6.427 1.00 0.00 C ATOM 366 CG LEU A 23 107.849 -7.454 -5.373 1.00 0.00 C ATOM 367 CD1 LEU A 23 109.035 -8.288 -5.859 1.00 0.00 C ATOM 368 CD2 LEU A 23 108.301 -6.010 -5.146 1.00 0.00 C ATOM 0 H LEU A 23 105.797 -5.207 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 23 108.206 -6.445 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 23 105.800 -7.148 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 106.585 -8.501 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 23 107.472 -7.869 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 23 109.825 -8.269 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 23 108.714 -9.317 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 23 109.413 -7.873 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 23 109.091 -5.990 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 23 108.679 -5.596 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 23 107.456 -5.414 -4.800 1.00 0.00 H new ATOM 380 N LYS A 24 106.210 -6.389 -9.834 1.00 0.00 N ATOM 381 CA LYS A 24 105.752 -6.878 -11.132 1.00 0.00 C ATOM 382 C LYS A 24 106.076 -8.360 -11.297 1.00 0.00 C ATOM 383 O LYS A 24 105.341 -9.219 -10.811 1.00 0.00 O ATOM 384 CB LYS A 24 106.415 -6.076 -12.253 1.00 0.00 C ATOM 385 CG LYS A 24 106.018 -6.667 -13.610 1.00 0.00 C ATOM 386 CD LYS A 24 106.173 -5.601 -14.697 1.00 0.00 C ATOM 387 CE LYS A 24 107.027 -6.156 -15.838 1.00 0.00 C ATOM 388 NZ LYS A 24 106.331 -7.317 -16.460 1.00 0.00 N ATOM 0 H LYS A 24 106.135 -5.379 -9.712 1.00 0.00 H new ATOM 0 HA LYS A 24 104.671 -6.752 -11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 24 106.110 -5.031 -12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 24 107.499 -6.098 -12.138 1.00 0.00 H new ATOM 0 HG2 LYS A 24 106.644 -7.529 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 24 104.987 -7.021 -13.577 1.00 0.00 H new ATOM 0 HD2 LYS A 24 105.194 -5.304 -15.073 1.00 0.00 H new ATOM 0 HD3 LYS A 24 106.639 -4.708 -14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 24 107.203 -5.382 -16.584 1.00 0.00 H new ATOM 0 HE3 LYS A 24 108.002 -6.463 -15.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 106.690 -7.460 -17.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 106.508 -8.172 -15.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 105.308 -7.131 -16.495 1.00 0.00 H new ATOM 402 N ASP A 25 107.179 -8.654 -11.980 1.00 0.00 N ATOM 403 CA ASP A 25 107.583 -10.040 -12.192 1.00 0.00 C ATOM 404 C ASP A 25 106.507 -10.802 -12.955 1.00 0.00 C ATOM 405 O ASP A 25 106.741 -11.275 -14.067 1.00 0.00 O ATOM 406 CB ASP A 25 107.829 -10.722 -10.846 1.00 0.00 C ATOM 407 CG ASP A 25 109.033 -10.093 -10.155 1.00 0.00 C ATOM 408 OD1 ASP A 25 110.139 -10.532 -10.420 1.00 0.00 O ATOM 409 OD2 ASP A 25 108.831 -9.181 -9.370 1.00 0.00 O ATOM 0 H ASP A 25 107.803 -7.960 -12.392 1.00 0.00 H new ATOM 0 HA ASP A 25 108.502 -10.044 -12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 25 106.946 -10.627 -10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 25 108.001 -11.788 -10.995 1.00 0.00 H new ATOM 414 N LYS A 26 105.331 -10.926 -12.351 1.00 0.00 N ATOM 415 CA LYS A 26 104.240 -11.644 -12.991 1.00 0.00 C ATOM 416 C LYS A 26 104.775 -12.917 -13.629 1.00 0.00 C ATOM 417 O LYS A 26 104.091 -13.567 -14.421 1.00 0.00 O ATOM 418 CB LYS A 26 103.585 -10.765 -14.058 1.00 0.00 C ATOM 419 CG LYS A 26 102.365 -10.059 -13.462 1.00 0.00 C ATOM 420 CD LYS A 26 101.124 -10.931 -13.659 1.00 0.00 C ATOM 421 CE LYS A 26 100.637 -10.807 -15.105 1.00 0.00 C ATOM 422 NZ LYS A 26 100.317 -12.161 -15.638 1.00 0.00 N ATOM 0 H LYS A 26 105.112 -10.544 -11.431 1.00 0.00 H new ATOM 0 HA LYS A 26 103.493 -11.901 -12.240 1.00 0.00 H new ATOM 0 HB2 LYS A 26 104.300 -10.029 -14.427 1.00 0.00 H new ATOM 0 HB3 LYS A 26 103.285 -11.373 -14.911 1.00 0.00 H new ATOM 0 HG2 LYS A 26 102.524 -9.869 -12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 26 102.222 -9.091 -13.941 1.00 0.00 H new ATOM 0 HD2 LYS A 26 101.357 -11.971 -13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 26 100.337 -10.622 -12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 26 99.754 -10.169 -15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 26 101.404 -10.334 -15.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 99.986 -12.078 -16.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 101.170 -12.756 -15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 99.572 -12.596 -15.057 1.00 0.00 H new ATOM 436 N ASP A 27 106.011 -13.262 -13.281 1.00 0.00 N ATOM 437 CA ASP A 27 106.644 -14.454 -13.824 1.00 0.00 C ATOM 438 C ASP A 27 107.589 -15.082 -12.803 1.00 0.00 C ATOM 439 O ASP A 27 107.300 -16.146 -12.254 1.00 0.00 O ATOM 440 CB ASP A 27 107.425 -14.098 -15.090 1.00 0.00 C ATOM 441 CG ASP A 27 106.524 -14.231 -16.313 1.00 0.00 C ATOM 442 OD1 ASP A 27 105.531 -13.523 -16.372 1.00 0.00 O ATOM 443 OD2 ASP A 27 106.838 -15.038 -17.172 1.00 0.00 O ATOM 0 H ASP A 27 106.590 -12.734 -12.628 1.00 0.00 H new ATOM 0 HA ASP A 27 105.863 -15.175 -14.065 1.00 0.00 H new ATOM 0 HB2 ASP A 27 107.806 -13.079 -15.018 1.00 0.00 H new ATOM 0 HB3 ASP A 27 108.289 -14.755 -15.191 1.00 0.00 H new ATOM 448 N ILE A 28 108.729 -14.435 -12.565 1.00 0.00 N ATOM 449 CA ILE A 28 109.712 -14.964 -11.625 1.00 0.00 C ATOM 450 C ILE A 28 110.339 -13.854 -10.782 1.00 0.00 C ATOM 451 O ILE A 28 110.379 -12.693 -11.189 1.00 0.00 O ATOM 452 CB ILE A 28 110.806 -15.686 -12.409 1.00 0.00 C ATOM 453 CG1 ILE A 28 110.207 -16.943 -13.043 1.00 0.00 C ATOM 454 CG2 ILE A 28 111.963 -16.056 -11.475 1.00 0.00 C ATOM 455 CD1 ILE A 28 111.122 -18.145 -12.793 1.00 0.00 C ATOM 0 H ILE A 28 108.992 -13.553 -13.005 1.00 0.00 H new ATOM 0 HA ILE A 28 109.206 -15.652 -10.948 1.00 0.00 H new ATOM 0 HB ILE A 28 111.195 -15.034 -13.191 1.00 0.00 H new ATOM 0 HG12 ILE A 28 109.219 -17.135 -12.625 1.00 0.00 H new ATOM 0 HG13 ILE A 28 110.076 -16.792 -14.115 1.00 0.00 H new ATOM 0 HG21 ILE A 28 112.738 -16.570 -12.043 1.00 0.00 H new ATOM 0 HG22 ILE A 28 112.378 -15.150 -11.033 1.00 0.00 H new ATOM 0 HG23 ILE A 28 111.597 -16.711 -10.684 1.00 0.00 H new ATOM 0 HD11 ILE A 28 110.687 -19.035 -13.248 1.00 0.00 H new ATOM 0 HD12 ILE A 28 112.101 -17.955 -13.233 1.00 0.00 H new ATOM 0 HD13 ILE A 28 111.231 -18.303 -11.720 1.00 0.00 H new ATOM 467 N ILE A 29 110.838 -14.230 -9.608 1.00 0.00 N ATOM 468 CA ILE A 29 111.479 -13.274 -8.710 1.00 0.00 C ATOM 469 C ILE A 29 112.857 -13.792 -8.301 1.00 0.00 C ATOM 470 O ILE A 29 113.054 -14.997 -8.146 1.00 0.00 O ATOM 471 CB ILE A 29 110.616 -13.061 -7.461 1.00 0.00 C ATOM 472 CG1 ILE A 29 109.779 -11.786 -7.616 1.00 0.00 C ATOM 473 CG2 ILE A 29 111.513 -12.922 -6.229 1.00 0.00 C ATOM 474 CD1 ILE A 29 108.398 -12.147 -8.165 1.00 0.00 C ATOM 0 H ILE A 29 110.811 -15.187 -9.257 1.00 0.00 H new ATOM 0 HA ILE A 29 111.590 -12.323 -9.230 1.00 0.00 H new ATOM 0 HB ILE A 29 109.955 -13.919 -7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 29 109.680 -11.284 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 29 110.279 -11.089 -8.289 1.00 0.00 H new ATOM 0 HG21 ILE A 29 110.895 -12.771 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 29 112.106 -13.828 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 29 112.178 -12.068 -6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 29 107.802 -11.241 -8.276 1.00 0.00 H new ATOM 0 HD12 ILE A 29 108.507 -12.630 -9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 29 107.899 -12.828 -7.475 1.00 0.00 H new ATOM 486 N GLY A 30 113.808 -12.879 -8.131 1.00 0.00 N ATOM 487 CA GLY A 30 115.160 -13.269 -7.743 1.00 0.00 C ATOM 488 C GLY A 30 115.623 -12.488 -6.519 1.00 0.00 C ATOM 489 O GLY A 30 115.893 -11.290 -6.602 1.00 0.00 O ATOM 0 H GLY A 30 113.671 -11.876 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 30 115.187 -14.337 -7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 30 115.845 -13.093 -8.572 1.00 0.00 H new ATOM 493 N PHE A 31 115.718 -13.173 -5.385 1.00 0.00 N ATOM 494 CA PHE A 31 116.152 -12.531 -4.150 1.00 0.00 C ATOM 495 C PHE A 31 117.673 -12.559 -4.037 1.00 0.00 C ATOM 496 O PHE A 31 118.277 -13.626 -3.938 1.00 0.00 O ATOM 497 CB PHE A 31 115.548 -13.250 -2.943 1.00 0.00 C ATOM 498 CG PHE A 31 114.063 -12.987 -2.880 1.00 0.00 C ATOM 499 CD1 PHE A 31 113.579 -11.864 -2.199 1.00 0.00 C ATOM 500 CD2 PHE A 31 113.169 -13.871 -3.496 1.00 0.00 C ATOM 501 CE1 PHE A 31 112.202 -11.623 -2.136 1.00 0.00 C ATOM 502 CE2 PHE A 31 111.792 -13.632 -3.431 1.00 0.00 C ATOM 503 CZ PHE A 31 111.308 -12.509 -2.752 1.00 0.00 C ATOM 0 H PHE A 31 115.502 -14.166 -5.295 1.00 0.00 H new ATOM 0 HA PHE A 31 115.813 -11.495 -4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 31 115.734 -14.322 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 31 116.027 -12.906 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 31 114.269 -11.183 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 31 113.542 -14.738 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 31 111.829 -10.755 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 31 111.103 -14.315 -3.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 110.245 -12.325 -2.702 1.00 0.00 H new ATOM 513 N TYR A 32 118.286 -11.381 -4.044 1.00 0.00 N ATOM 514 CA TYR A 32 119.737 -11.291 -3.932 1.00 0.00 C ATOM 515 C TYR A 32 120.130 -10.929 -2.505 1.00 0.00 C ATOM 516 O TYR A 32 119.688 -9.909 -1.974 1.00 0.00 O ATOM 517 CB TYR A 32 120.274 -10.233 -4.898 1.00 0.00 C ATOM 518 CG TYR A 32 121.778 -10.162 -4.782 1.00 0.00 C ATOM 519 CD1 TYR A 32 122.559 -11.276 -5.108 1.00 0.00 C ATOM 520 CD2 TYR A 32 122.390 -8.979 -4.349 1.00 0.00 C ATOM 521 CE1 TYR A 32 123.954 -11.209 -5.000 1.00 0.00 C ATOM 522 CE2 TYR A 32 123.785 -8.912 -4.241 1.00 0.00 C ATOM 523 CZ TYR A 32 124.566 -10.026 -4.567 1.00 0.00 C ATOM 524 OH TYR A 32 125.940 -9.961 -4.461 1.00 0.00 O ATOM 0 H TYR A 32 117.807 -10.484 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 32 120.168 -12.259 -4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 32 119.989 -10.481 -5.920 1.00 0.00 H new ATOM 0 HB3 TYR A 32 119.835 -9.262 -4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 32 122.086 -12.188 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 32 121.787 -8.119 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 32 124.557 -12.069 -5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 32 124.258 -8.000 -3.906 1.00 0.00 H new ATOM 0 HH TYR A 32 126.183 -9.434 -3.671 1.00 0.00 H new ATOM 534 N PHE A 33 120.958 -11.764 -1.880 1.00 0.00 N ATOM 535 CA PHE A 33 121.391 -11.507 -0.513 1.00 0.00 C ATOM 536 C PHE A 33 122.889 -11.230 -0.469 1.00 0.00 C ATOM 537 O PHE A 33 123.703 -12.125 -0.702 1.00 0.00 O ATOM 538 CB PHE A 33 121.071 -12.714 0.371 1.00 0.00 C ATOM 539 CG PHE A 33 119.597 -13.024 0.287 1.00 0.00 C ATOM 540 CD1 PHE A 33 118.657 -12.069 0.690 1.00 0.00 C ATOM 541 CD2 PHE A 33 119.172 -14.265 -0.198 1.00 0.00 C ATOM 542 CE1 PHE A 33 117.289 -12.358 0.609 1.00 0.00 C ATOM 543 CE2 PHE A 33 117.805 -14.551 -0.279 1.00 0.00 C ATOM 544 CZ PHE A 33 116.865 -13.599 0.123 1.00 0.00 C ATOM 0 H PHE A 33 121.338 -12.615 -2.295 1.00 0.00 H new ATOM 0 HA PHE A 33 120.858 -10.631 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 33 121.654 -13.578 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 33 121.351 -12.506 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.986 -11.110 1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 33 119.898 -15.001 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 33 116.562 -11.623 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 33 117.476 -15.509 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 33 115.810 -13.821 0.058 1.00 0.00 H new ATOM 554 N SER A 34 123.241 -9.985 -0.165 1.00 0.00 N ATOM 555 CA SER A 34 124.645 -9.591 -0.088 1.00 0.00 C ATOM 556 C SER A 34 124.823 -8.135 -0.512 1.00 0.00 C ATOM 557 O SER A 34 124.816 -7.822 -1.702 1.00 0.00 O ATOM 558 CB SER A 34 125.491 -10.490 -0.988 1.00 0.00 C ATOM 559 OG SER A 34 124.746 -10.824 -2.153 1.00 0.00 O ATOM 0 H SER A 34 122.578 -9.235 0.031 1.00 0.00 H new ATOM 0 HA SER A 34 124.972 -9.698 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 34 126.414 -9.981 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 34 125.776 -11.396 -0.452 1.00 0.00 H new ATOM 0 HG SER A 34 124.836 -10.107 -2.815 1.00 0.00 H new ATOM 565 N ALA A 35 124.989 -7.250 0.468 1.00 0.00 N ATOM 566 CA ALA A 35 125.175 -5.832 0.175 1.00 0.00 C ATOM 567 C ALA A 35 125.992 -5.661 -1.097 1.00 0.00 C ATOM 568 O ALA A 35 125.515 -5.108 -2.089 1.00 0.00 O ATOM 569 CB ALA A 35 125.891 -5.146 1.341 1.00 0.00 C ATOM 0 H ALA A 35 124.999 -7.486 1.460 1.00 0.00 H new ATOM 0 HA ALA A 35 124.196 -5.374 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 35 126.026 -4.088 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 35 125.293 -5.249 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 35 126.865 -5.611 1.494 1.00 0.00 H new ATOM 575 N HIS A 36 127.222 -6.151 -1.062 1.00 0.00 N ATOM 576 CA HIS A 36 128.108 -6.065 -2.216 1.00 0.00 C ATOM 577 C HIS A 36 128.561 -4.627 -2.456 1.00 0.00 C ATOM 578 O HIS A 36 129.511 -4.389 -3.201 1.00 0.00 O ATOM 579 CB HIS A 36 127.392 -6.591 -3.462 1.00 0.00 C ATOM 580 CG HIS A 36 128.065 -7.850 -3.935 1.00 0.00 C ATOM 581 ND1 HIS A 36 127.852 -9.077 -3.326 1.00 0.00 N ATOM 582 CD2 HIS A 36 128.949 -8.089 -4.958 1.00 0.00 C ATOM 583 CE1 HIS A 36 128.593 -9.989 -3.979 1.00 0.00 C ATOM 584 NE2 HIS A 36 129.282 -9.441 -4.984 1.00 0.00 N ATOM 0 H HIS A 36 127.630 -6.612 -0.249 1.00 0.00 H new ATOM 0 HA HIS A 36 128.989 -6.674 -2.013 1.00 0.00 H new ATOM 0 HB2 HIS A 36 126.344 -6.789 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS A 36 127.411 -5.838 -4.250 1.00 0.00 H new ATOM 0 HD2 HIS A 36 129.329 -7.342 -5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 36 128.627 -11.038 -3.722 1.00 0.00 H new ATOM 0 HE2 HIS A 36 129.915 -9.911 -5.631 1.00 0.00 H new ATOM 593 N TRP A 37 127.883 -3.669 -1.828 1.00 0.00 N ATOM 594 CA TRP A 37 128.248 -2.270 -2.004 1.00 0.00 C ATOM 595 C TRP A 37 129.268 -1.847 -0.951 1.00 0.00 C ATOM 596 O TRP A 37 130.288 -1.238 -1.272 1.00 0.00 O ATOM 597 CB TRP A 37 127.002 -1.390 -1.913 1.00 0.00 C ATOM 598 CG TRP A 37 126.846 -0.880 -0.518 1.00 0.00 C ATOM 599 CD1 TRP A 37 125.942 -1.337 0.375 1.00 0.00 C ATOM 600 CD2 TRP A 37 127.598 0.168 0.159 1.00 0.00 C ATOM 601 NE1 TRP A 37 126.082 -0.628 1.555 1.00 0.00 N ATOM 602 CE2 TRP A 37 127.092 0.308 1.471 1.00 0.00 C ATOM 603 CE3 TRP A 37 128.658 1.006 -0.236 1.00 0.00 C ATOM 604 CZ2 TRP A 37 127.617 1.243 2.363 1.00 0.00 C ATOM 605 CZ3 TRP A 37 129.190 1.948 0.660 1.00 0.00 C ATOM 606 CH2 TRP A 37 128.670 2.066 1.957 1.00 0.00 C ATOM 0 H TRP A 37 127.093 -3.833 -1.204 1.00 0.00 H new ATOM 0 HA TRP A 37 128.698 -2.148 -2.989 1.00 0.00 H new ATOM 0 HB2 TRP A 37 127.083 -0.555 -2.609 1.00 0.00 H new ATOM 0 HB3 TRP A 37 126.120 -1.961 -2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 37 125.227 -2.127 0.197 1.00 0.00 H new ATOM 0 HE1 TRP A 37 125.509 -0.779 2.385 1.00 0.00 H new ATOM 0 HE3 TRP A 37 129.064 0.924 -1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 127.212 1.330 3.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 130.004 2.585 0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 37 129.083 2.792 2.641 1.00 0.00 H new ATOM 617 N CYS A 38 128.989 -2.179 0.305 1.00 0.00 N ATOM 618 CA CYS A 38 129.895 -1.832 1.393 1.00 0.00 C ATOM 619 C CYS A 38 131.064 -2.813 1.439 1.00 0.00 C ATOM 620 O CYS A 38 132.226 -2.409 1.473 1.00 0.00 O ATOM 621 CB CYS A 38 129.143 -1.847 2.727 1.00 0.00 C ATOM 622 SG CYS A 38 130.042 -2.864 3.928 1.00 0.00 S ATOM 0 H CYS A 38 128.151 -2.683 0.593 1.00 0.00 H new ATOM 0 HA CYS A 38 130.286 -0.829 1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 38 129.036 -0.831 3.106 1.00 0.00 H new ATOM 0 HB3 CYS A 38 128.137 -2.242 2.583 1.00 0.00 H new ATOM 0 HG CYS A 38 129.400 -2.870 5.058 1.00 0.00 H new ATOM 628 N PRO A 39 130.773 -4.086 1.436 1.00 0.00 N ATOM 629 CA PRO A 39 131.810 -5.154 1.475 1.00 0.00 C ATOM 630 C PRO A 39 132.417 -5.412 0.098 1.00 0.00 C ATOM 631 O PRO A 39 131.866 -5.000 -0.922 1.00 0.00 O ATOM 632 CB PRO A 39 131.036 -6.375 1.969 1.00 0.00 C ATOM 633 CG PRO A 39 129.630 -6.163 1.512 1.00 0.00 C ATOM 634 CD PRO A 39 129.414 -4.650 1.400 1.00 0.00 C ATOM 0 HA PRO A 39 132.656 -4.890 2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 39 131.449 -7.296 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 39 131.088 -6.461 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 39 129.460 -6.648 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 39 128.925 -6.601 2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 39 128.899 -4.389 0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 39 128.805 -4.273 2.222 1.00 0.00 H new ATOM 642 N PRO A 40 133.536 -6.084 0.058 1.00 0.00 N ATOM 643 CA PRO A 40 134.236 -6.408 -1.218 1.00 0.00 C ATOM 644 C PRO A 40 133.494 -7.468 -2.028 1.00 0.00 C ATOM 645 O PRO A 40 132.533 -7.163 -2.734 1.00 0.00 O ATOM 646 CB PRO A 40 135.603 -6.925 -0.763 1.00 0.00 C ATOM 647 CG PRO A 40 135.396 -7.429 0.628 1.00 0.00 C ATOM 648 CD PRO A 40 134.255 -6.608 1.229 1.00 0.00 C ATOM 0 HA PRO A 40 134.302 -5.543 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 40 135.961 -7.719 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 40 136.350 -6.132 -0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 40 135.147 -8.490 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 40 136.305 -7.318 1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 40 133.606 -7.223 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 40 134.632 -5.802 1.859 1.00 0.00 H new ATOM 656 N CYS A 41 133.947 -8.714 -1.923 1.00 0.00 N ATOM 657 CA CYS A 41 133.318 -9.810 -2.650 1.00 0.00 C ATOM 658 C CYS A 41 132.977 -9.384 -4.076 1.00 0.00 C ATOM 659 O CYS A 41 131.940 -9.766 -4.616 1.00 0.00 O ATOM 660 CB CYS A 41 132.043 -10.252 -1.929 1.00 0.00 C ATOM 661 SG CYS A 41 131.506 -11.853 -2.580 1.00 0.00 S ATOM 0 H CYS A 41 134.742 -8.988 -1.345 1.00 0.00 H new ATOM 0 HA CYS A 41 134.020 -10.643 -2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 41 132.226 -10.326 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 41 131.258 -9.509 -2.068 1.00 0.00 H new ATOM 0 HG CYS A 41 131.406 -11.784 -3.874 1.00 0.00 H new ATOM 667 N ARG A 42 133.858 -8.592 -4.677 1.00 0.00 N ATOM 668 CA ARG A 42 133.641 -8.118 -6.040 1.00 0.00 C ATOM 669 C ARG A 42 134.048 -9.187 -7.050 1.00 0.00 C ATOM 670 O ARG A 42 134.952 -9.983 -6.796 1.00 0.00 O ATOM 671 CB ARG A 42 134.453 -6.845 -6.286 1.00 0.00 C ATOM 672 CG ARG A 42 133.807 -5.675 -5.541 1.00 0.00 C ATOM 673 CD ARG A 42 134.227 -4.359 -6.196 1.00 0.00 C ATOM 674 NE ARG A 42 133.691 -4.275 -7.550 1.00 0.00 N ATOM 675 CZ ARG A 42 134.280 -3.527 -8.476 1.00 0.00 C ATOM 676 NH1 ARG A 42 135.357 -2.851 -8.182 1.00 0.00 N ATOM 677 NH2 ARG A 42 133.781 -3.468 -9.680 1.00 0.00 N ATOM 0 H ARG A 42 134.723 -8.266 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 42 132.580 -7.901 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 42 135.479 -6.984 -5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 42 134.497 -6.630 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 42 132.722 -5.773 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 42 134.110 -5.685 -4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 42 133.868 -3.518 -5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 42 135.314 -4.289 -6.223 1.00 0.00 H new ATOM 0 HE ARG A 42 132.850 -4.800 -7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 42 135.747 -2.897 -7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 42 135.809 -2.277 -8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 42 132.939 -3.996 -9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 42 134.233 -2.894 -10.392 1.00 0.00 H new ATOM 691 N GLY A 43 133.376 -9.197 -8.197 1.00 0.00 N ATOM 692 CA GLY A 43 133.679 -10.172 -9.239 1.00 0.00 C ATOM 693 C GLY A 43 132.441 -10.983 -9.608 1.00 0.00 C ATOM 694 O GLY A 43 132.268 -11.378 -10.760 1.00 0.00 O ATOM 0 H GLY A 43 132.624 -8.547 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 43 134.058 -9.659 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 43 134.468 -10.842 -8.897 1.00 0.00 H new ATOM 698 N PHE A 44 131.583 -11.228 -8.623 1.00 0.00 N ATOM 699 CA PHE A 44 130.364 -11.994 -8.857 1.00 0.00 C ATOM 700 C PHE A 44 129.248 -11.084 -9.366 1.00 0.00 C ATOM 701 O PHE A 44 128.344 -11.528 -10.073 1.00 0.00 O ATOM 702 CB PHE A 44 129.917 -12.674 -7.561 1.00 0.00 C ATOM 703 CG PHE A 44 129.004 -13.831 -7.888 1.00 0.00 C ATOM 704 CD1 PHE A 44 127.693 -13.589 -8.313 1.00 0.00 C ATOM 705 CD2 PHE A 44 129.469 -15.146 -7.763 1.00 0.00 C ATOM 706 CE1 PHE A 44 126.845 -14.662 -8.614 1.00 0.00 C ATOM 707 CE2 PHE A 44 128.622 -16.219 -8.065 1.00 0.00 C ATOM 708 CZ PHE A 44 127.310 -15.977 -8.491 1.00 0.00 C ATOM 0 H PHE A 44 131.708 -10.910 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 44 130.574 -12.752 -9.612 1.00 0.00 H new ATOM 0 HB2 PHE A 44 130.785 -13.028 -7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 44 129.400 -11.958 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 44 127.335 -12.575 -8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 44 130.481 -15.332 -7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 44 125.833 -14.475 -8.941 1.00 0.00 H new ATOM 0 HE2 PHE A 44 128.980 -17.233 -7.969 1.00 0.00 H new ATOM 0 HZ PHE A 44 126.657 -16.805 -8.725 1.00 0.00 H new ATOM 718 N THR A 45 129.319 -9.811 -8.993 1.00 0.00 N ATOM 719 CA THR A 45 128.308 -8.846 -9.410 1.00 0.00 C ATOM 720 C THR A 45 128.262 -8.724 -10.930 1.00 0.00 C ATOM 721 O THR A 45 127.234 -8.996 -11.549 1.00 0.00 O ATOM 722 CB THR A 45 128.590 -7.478 -8.783 1.00 0.00 C ATOM 723 OG1 THR A 45 128.016 -7.428 -7.485 1.00 0.00 O ATOM 724 CG2 THR A 45 127.980 -6.376 -9.653 1.00 0.00 C ATOM 0 H THR A 45 130.060 -9.425 -8.407 1.00 0.00 H new ATOM 0 HA THR A 45 127.338 -9.203 -9.065 1.00 0.00 H new ATOM 0 HB THR A 45 129.667 -7.327 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 45 128.256 -6.582 -7.053 1.00 0.00 H new ATOM 0 HG21 THR A 45 128.183 -5.404 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 45 128.420 -6.414 -10.650 1.00 0.00 H new ATOM 0 HG23 THR A 45 126.903 -6.525 -9.726 1.00 0.00 H new ATOM 732 N PRO A 46 129.345 -8.324 -11.539 1.00 0.00 N ATOM 733 CA PRO A 46 129.419 -8.168 -13.017 1.00 0.00 C ATOM 734 C PRO A 46 128.922 -9.413 -13.743 1.00 0.00 C ATOM 735 O PRO A 46 128.703 -9.392 -14.954 1.00 0.00 O ATOM 736 CB PRO A 46 130.908 -7.918 -13.305 1.00 0.00 C ATOM 737 CG PRO A 46 131.632 -8.168 -12.019 1.00 0.00 C ATOM 738 CD PRO A 46 130.617 -7.978 -10.898 1.00 0.00 C ATOM 0 HA PRO A 46 128.784 -7.355 -13.370 1.00 0.00 H new ATOM 0 HB2 PRO A 46 131.269 -8.582 -14.090 1.00 0.00 H new ATOM 0 HB3 PRO A 46 131.071 -6.897 -13.651 1.00 0.00 H new ATOM 0 HG2 PRO A 46 132.047 -9.176 -11.998 1.00 0.00 H new ATOM 0 HG3 PRO A 46 132.468 -7.477 -11.905 1.00 0.00 H new ATOM 0 HD2 PRO A 46 130.829 -8.626 -10.048 1.00 0.00 H new ATOM 0 HD3 PRO A 46 130.615 -6.954 -10.525 1.00 0.00 H new ATOM 746 N ILE A 47 128.739 -10.495 -12.994 1.00 0.00 N ATOM 747 CA ILE A 47 128.260 -11.738 -13.579 1.00 0.00 C ATOM 748 C ILE A 47 126.738 -11.747 -13.612 1.00 0.00 C ATOM 749 O ILE A 47 126.128 -11.978 -14.658 1.00 0.00 O ATOM 750 CB ILE A 47 128.766 -12.927 -12.765 1.00 0.00 C ATOM 751 CG1 ILE A 47 130.288 -12.832 -12.625 1.00 0.00 C ATOM 752 CG2 ILE A 47 128.397 -14.227 -13.480 1.00 0.00 C ATOM 753 CD1 ILE A 47 130.893 -14.237 -12.596 1.00 0.00 C ATOM 0 H ILE A 47 128.914 -10.535 -11.990 1.00 0.00 H new ATOM 0 HA ILE A 47 128.638 -11.816 -14.598 1.00 0.00 H new ATOM 0 HB ILE A 47 128.308 -12.916 -11.776 1.00 0.00 H new ATOM 0 HG12 ILE A 47 130.704 -12.264 -13.457 1.00 0.00 H new ATOM 0 HG13 ILE A 47 130.546 -12.296 -11.712 1.00 0.00 H new ATOM 0 HG21 ILE A 47 128.758 -15.076 -12.900 1.00 0.00 H new ATOM 0 HG22 ILE A 47 127.314 -14.291 -13.582 1.00 0.00 H new ATOM 0 HG23 ILE A 47 128.856 -14.242 -14.468 1.00 0.00 H new ATOM 0 HD11 ILE A 47 131.976 -14.165 -12.496 1.00 0.00 H new ATOM 0 HD12 ILE A 47 130.487 -14.791 -11.750 1.00 0.00 H new ATOM 0 HD13 ILE A 47 130.648 -14.758 -13.522 1.00 0.00 H new ATOM 765 N LEU A 48 126.130 -11.478 -12.464 1.00 0.00 N ATOM 766 CA LEU A 48 124.683 -11.444 -12.380 1.00 0.00 C ATOM 767 C LEU A 48 124.161 -10.213 -13.118 1.00 0.00 C ATOM 768 O LEU A 48 123.031 -10.197 -13.601 1.00 0.00 O ATOM 769 CB LEU A 48 124.250 -11.438 -10.908 1.00 0.00 C ATOM 770 CG LEU A 48 123.284 -10.287 -10.643 1.00 0.00 C ATOM 771 CD1 LEU A 48 121.979 -10.527 -11.404 1.00 0.00 C ATOM 772 CD2 LEU A 48 122.986 -10.214 -9.144 1.00 0.00 C ATOM 0 H LEU A 48 126.614 -11.282 -11.588 1.00 0.00 H new ATOM 0 HA LEU A 48 124.261 -12.331 -12.852 1.00 0.00 H new ATOM 0 HB2 LEU A 48 123.773 -12.386 -10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.125 -11.342 -10.265 1.00 0.00 H new ATOM 0 HG LEU A 48 123.733 -9.352 -10.977 1.00 0.00 H new ATOM 0 HD11 LEU A 48 121.290 -9.704 -11.214 1.00 0.00 H new ATOM 0 HD12 LEU A 48 122.187 -10.587 -12.472 1.00 0.00 H new ATOM 0 HD13 LEU A 48 121.529 -11.462 -11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.296 -9.393 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 48 122.536 -11.151 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 48 123.913 -10.046 -8.596 1.00 0.00 H new ATOM 784 N ALA A 49 125.004 -9.189 -13.226 1.00 0.00 N ATOM 785 CA ALA A 49 124.613 -7.980 -13.936 1.00 0.00 C ATOM 786 C ALA A 49 124.560 -8.266 -15.431 1.00 0.00 C ATOM 787 O ALA A 49 123.836 -7.611 -16.183 1.00 0.00 O ATOM 788 CB ALA A 49 125.613 -6.855 -13.657 1.00 0.00 C ATOM 0 H ALA A 49 125.947 -9.173 -12.837 1.00 0.00 H new ATOM 0 HA ALA A 49 123.628 -7.665 -13.590 1.00 0.00 H new ATOM 0 HB1 ALA A 49 125.309 -5.956 -14.194 1.00 0.00 H new ATOM 0 HB2 ALA A 49 125.638 -6.647 -12.587 1.00 0.00 H new ATOM 0 HB3 ALA A 49 126.605 -7.159 -13.991 1.00 0.00 H new ATOM 794 N ASP A 50 125.319 -9.268 -15.853 1.00 0.00 N ATOM 795 CA ASP A 50 125.335 -9.654 -17.254 1.00 0.00 C ATOM 796 C ASP A 50 124.136 -10.544 -17.546 1.00 0.00 C ATOM 797 O ASP A 50 123.571 -10.508 -18.638 1.00 0.00 O ATOM 798 CB ASP A 50 126.628 -10.402 -17.582 1.00 0.00 C ATOM 799 CG ASP A 50 126.631 -10.821 -19.047 1.00 0.00 C ATOM 800 OD1 ASP A 50 125.638 -11.381 -19.485 1.00 0.00 O ATOM 801 OD2 ASP A 50 127.624 -10.578 -19.711 1.00 0.00 O ATOM 0 H ASP A 50 125.926 -9.823 -15.250 1.00 0.00 H new ATOM 0 HA ASP A 50 125.284 -8.758 -17.872 1.00 0.00 H new ATOM 0 HB2 ASP A 50 127.488 -9.765 -17.376 1.00 0.00 H new ATOM 0 HB3 ASP A 50 126.721 -11.281 -16.944 1.00 0.00 H new ATOM 806 N MET A 51 123.748 -11.338 -16.551 1.00 0.00 N ATOM 807 CA MET A 51 122.609 -12.234 -16.704 1.00 0.00 C ATOM 808 C MET A 51 121.302 -11.451 -16.702 1.00 0.00 C ATOM 809 O MET A 51 120.440 -11.670 -17.554 1.00 0.00 O ATOM 810 CB MET A 51 122.605 -13.276 -15.580 1.00 0.00 C ATOM 811 CG MET A 51 121.710 -12.805 -14.433 1.00 0.00 C ATOM 812 SD MET A 51 119.976 -13.021 -14.893 1.00 0.00 S ATOM 813 CE MET A 51 119.830 -14.730 -14.328 1.00 0.00 C ATOM 0 H MET A 51 124.202 -11.378 -15.639 1.00 0.00 H new ATOM 0 HA MET A 51 122.699 -12.746 -17.662 1.00 0.00 H new ATOM 0 HB2 MET A 51 122.248 -14.233 -15.961 1.00 0.00 H new ATOM 0 HB3 MET A 51 123.620 -13.436 -15.218 1.00 0.00 H new ATOM 0 HG2 MET A 51 121.931 -13.372 -13.529 1.00 0.00 H new ATOM 0 HG3 MET A 51 121.910 -11.757 -14.208 1.00 0.00 H new ATOM 0 HE1 MET A 51 118.785 -15.037 -14.364 1.00 0.00 H new ATOM 0 HE2 MET A 51 120.422 -15.379 -14.974 1.00 0.00 H new ATOM 0 HE3 MET A 51 120.195 -14.807 -13.304 1.00 0.00 H new ATOM 823 N TYR A 52 121.156 -10.540 -15.749 1.00 0.00 N ATOM 824 CA TYR A 52 119.940 -9.743 -15.674 1.00 0.00 C ATOM 825 C TYR A 52 119.905 -8.752 -16.829 1.00 0.00 C ATOM 826 O TYR A 52 118.836 -8.394 -17.316 1.00 0.00 O ATOM 827 CB TYR A 52 119.853 -9.006 -14.334 1.00 0.00 C ATOM 828 CG TYR A 52 120.273 -7.569 -14.510 1.00 0.00 C ATOM 829 CD1 TYR A 52 121.528 -7.278 -15.043 1.00 0.00 C ATOM 830 CD2 TYR A 52 119.411 -6.532 -14.138 1.00 0.00 C ATOM 831 CE1 TYR A 52 121.929 -5.946 -15.208 1.00 0.00 C ATOM 832 CE2 TYR A 52 119.808 -5.201 -14.302 1.00 0.00 C ATOM 833 CZ TYR A 52 121.067 -4.907 -14.837 1.00 0.00 C ATOM 834 OH TYR A 52 121.460 -3.593 -14.999 1.00 0.00 O ATOM 0 H TYR A 52 121.850 -10.337 -15.030 1.00 0.00 H new ATOM 0 HA TYR A 52 119.080 -10.409 -15.747 1.00 0.00 H new ATOM 0 HB2 TYR A 52 118.834 -9.052 -13.950 1.00 0.00 H new ATOM 0 HB3 TYR A 52 120.493 -9.494 -13.599 1.00 0.00 H new ATOM 0 HD1 TYR A 52 122.192 -8.080 -15.329 1.00 0.00 H new ATOM 0 HD2 TYR A 52 118.440 -6.759 -13.724 1.00 0.00 H new ATOM 0 HE1 TYR A 52 122.901 -5.721 -15.621 1.00 0.00 H new ATOM 0 HE2 TYR A 52 119.143 -4.400 -14.016 1.00 0.00 H new ATOM 0 HH TYR A 52 120.744 -2.997 -14.693 1.00 0.00 H new ATOM 844 N SER A 53 121.084 -8.325 -17.275 1.00 0.00 N ATOM 845 CA SER A 53 121.160 -7.390 -18.387 1.00 0.00 C ATOM 846 C SER A 53 120.606 -8.037 -19.649 1.00 0.00 C ATOM 847 O SER A 53 119.843 -7.418 -20.391 1.00 0.00 O ATOM 848 CB SER A 53 122.607 -6.955 -18.619 1.00 0.00 C ATOM 849 OG SER A 53 122.876 -5.794 -17.845 1.00 0.00 O ATOM 0 H SER A 53 121.985 -8.608 -16.889 1.00 0.00 H new ATOM 0 HA SER A 53 120.564 -6.510 -18.144 1.00 0.00 H new ATOM 0 HB2 SER A 53 123.290 -7.758 -18.341 1.00 0.00 H new ATOM 0 HB3 SER A 53 122.772 -6.748 -19.676 1.00 0.00 H new ATOM 0 HG SER A 53 122.148 -5.652 -17.204 1.00 0.00 H new ATOM 855 N GLU A 54 120.976 -9.293 -19.879 1.00 0.00 N ATOM 856 CA GLU A 54 120.482 -10.008 -21.047 1.00 0.00 C ATOM 857 C GLU A 54 118.992 -10.262 -20.888 1.00 0.00 C ATOM 858 O GLU A 54 118.193 -9.970 -21.782 1.00 0.00 O ATOM 859 CB GLU A 54 121.214 -11.342 -21.207 1.00 0.00 C ATOM 860 CG GLU A 54 122.715 -11.129 -21.015 1.00 0.00 C ATOM 861 CD GLU A 54 123.446 -11.348 -22.336 1.00 0.00 C ATOM 862 OE1 GLU A 54 123.230 -10.566 -23.246 1.00 0.00 O ATOM 863 OE2 GLU A 54 124.211 -12.295 -22.417 1.00 0.00 O ATOM 0 H GLU A 54 121.606 -9.828 -19.282 1.00 0.00 H new ATOM 0 HA GLU A 54 120.662 -9.402 -21.935 1.00 0.00 H new ATOM 0 HB2 GLU A 54 120.842 -12.062 -20.478 1.00 0.00 H new ATOM 0 HB3 GLU A 54 121.019 -11.759 -22.195 1.00 0.00 H new ATOM 0 HG2 GLU A 54 122.904 -10.120 -20.648 1.00 0.00 H new ATOM 0 HG3 GLU A 54 123.095 -11.818 -20.261 1.00 0.00 H new ATOM 870 N LEU A 55 118.627 -10.799 -19.734 1.00 0.00 N ATOM 871 CA LEU A 55 117.231 -11.084 -19.445 1.00 0.00 C ATOM 872 C LEU A 55 116.387 -9.829 -19.626 1.00 0.00 C ATOM 873 O LEU A 55 115.300 -9.883 -20.199 1.00 0.00 O ATOM 874 CB LEU A 55 117.082 -11.603 -18.012 1.00 0.00 C ATOM 875 CG LEU A 55 117.034 -13.132 -18.021 1.00 0.00 C ATOM 876 CD1 LEU A 55 116.904 -13.646 -16.586 1.00 0.00 C ATOM 877 CD2 LEU A 55 115.827 -13.602 -18.838 1.00 0.00 C ATOM 0 H LEU A 55 119.275 -11.045 -18.986 1.00 0.00 H new ATOM 0 HA LEU A 55 116.884 -11.849 -20.139 1.00 0.00 H new ATOM 0 HB2 LEU A 55 117.917 -11.259 -17.402 1.00 0.00 H new ATOM 0 HB3 LEU A 55 116.173 -11.203 -17.563 1.00 0.00 H new ATOM 0 HG LEU A 55 117.950 -13.520 -18.467 1.00 0.00 H new ATOM 0 HD11 LEU A 55 116.870 -14.735 -16.591 1.00 0.00 H new ATOM 0 HD12 LEU A 55 117.761 -13.313 -16.001 1.00 0.00 H new ATOM 0 HD13 LEU A 55 115.988 -13.256 -16.142 1.00 0.00 H new ATOM 0 HD21 LEU A 55 115.794 -14.691 -18.844 1.00 0.00 H new ATOM 0 HD22 LEU A 55 114.912 -13.213 -18.391 1.00 0.00 H new ATOM 0 HD23 LEU A 55 115.915 -13.236 -19.861 1.00 0.00 H new ATOM 889 N VAL A 56 116.896 -8.696 -19.144 1.00 0.00 N ATOM 890 CA VAL A 56 116.170 -7.436 -19.273 1.00 0.00 C ATOM 891 C VAL A 56 115.887 -7.159 -20.736 1.00 0.00 C ATOM 892 O VAL A 56 114.753 -6.869 -21.119 1.00 0.00 O ATOM 893 CB VAL A 56 116.984 -6.291 -18.670 1.00 0.00 C ATOM 894 CG1 VAL A 56 116.246 -4.970 -18.891 1.00 0.00 C ATOM 895 CG2 VAL A 56 117.160 -6.526 -17.167 1.00 0.00 C ATOM 0 H VAL A 56 117.795 -8.625 -18.667 1.00 0.00 H new ATOM 0 HA VAL A 56 115.226 -7.513 -18.733 1.00 0.00 H new ATOM 0 HB VAL A 56 117.961 -6.249 -19.151 1.00 0.00 H new ATOM 0 HG11 VAL A 56 116.826 -4.153 -18.461 1.00 0.00 H new ATOM 0 HG12 VAL A 56 116.116 -4.800 -19.960 1.00 0.00 H new ATOM 0 HG13 VAL A 56 115.269 -5.014 -18.410 1.00 0.00 H new ATOM 0 HG21 VAL A 56 117.740 -5.710 -16.737 1.00 0.00 H new ATOM 0 HG22 VAL A 56 116.182 -6.567 -16.688 1.00 0.00 H new ATOM 0 HG23 VAL A 56 117.683 -7.468 -17.005 1.00 0.00 H new ATOM 905 N ASP A 57 116.918 -7.278 -21.554 1.00 0.00 N ATOM 906 CA ASP A 57 116.765 -7.068 -22.981 1.00 0.00 C ATOM 907 C ASP A 57 115.604 -7.911 -23.485 1.00 0.00 C ATOM 908 O ASP A 57 114.869 -7.512 -24.388 1.00 0.00 O ATOM 909 CB ASP A 57 118.049 -7.476 -23.696 1.00 0.00 C ATOM 910 CG ASP A 57 118.120 -6.814 -25.067 1.00 0.00 C ATOM 911 OD1 ASP A 57 118.427 -5.634 -25.118 1.00 0.00 O ATOM 912 OD2 ASP A 57 117.867 -7.496 -26.047 1.00 0.00 O ATOM 0 H ASP A 57 117.864 -7.517 -21.256 1.00 0.00 H new ATOM 0 HA ASP A 57 116.565 -6.015 -23.181 1.00 0.00 H new ATOM 0 HB2 ASP A 57 118.914 -7.187 -23.099 1.00 0.00 H new ATOM 0 HB3 ASP A 57 118.085 -8.560 -23.805 1.00 0.00 H new ATOM 917 N ASP A 58 115.448 -9.080 -22.875 1.00 0.00 N ATOM 918 CA ASP A 58 114.374 -9.993 -23.238 1.00 0.00 C ATOM 919 C ASP A 58 113.146 -9.723 -22.384 1.00 0.00 C ATOM 920 O ASP A 58 112.287 -10.590 -22.217 1.00 0.00 O ATOM 921 CB ASP A 58 114.830 -11.437 -23.029 1.00 0.00 C ATOM 922 CG ASP A 58 114.980 -12.140 -24.373 1.00 0.00 C ATOM 923 OD1 ASP A 58 113.982 -12.279 -25.062 1.00 0.00 O ATOM 924 OD2 ASP A 58 116.090 -12.529 -24.695 1.00 0.00 O ATOM 0 H ASP A 58 116.053 -9.417 -22.126 1.00 0.00 H new ATOM 0 HA ASP A 58 114.121 -9.838 -24.287 1.00 0.00 H new ATOM 0 HB2 ASP A 58 115.780 -11.453 -22.494 1.00 0.00 H new ATOM 0 HB3 ASP A 58 114.107 -11.969 -22.411 1.00 0.00 H new ATOM 929 N SER A 59 113.084 -8.524 -21.829 1.00 0.00 N ATOM 930 CA SER A 59 111.969 -8.152 -20.970 1.00 0.00 C ATOM 931 C SER A 59 112.076 -8.909 -19.658 1.00 0.00 C ATOM 932 O SER A 59 111.098 -9.079 -18.931 1.00 0.00 O ATOM 933 CB SER A 59 110.639 -8.476 -21.653 1.00 0.00 C ATOM 934 OG SER A 59 109.787 -7.340 -21.584 1.00 0.00 O ATOM 0 H SER A 59 113.786 -7.795 -21.956 1.00 0.00 H new ATOM 0 HA SER A 59 112.006 -7.080 -20.778 1.00 0.00 H new ATOM 0 HB2 SER A 59 110.809 -8.755 -22.693 1.00 0.00 H new ATOM 0 HB3 SER A 59 110.166 -9.330 -21.168 1.00 0.00 H new ATOM 0 HG SER A 59 108.934 -7.543 -22.022 1.00 0.00 H new ATOM 940 N ALA A 60 113.291 -9.358 -19.378 1.00 0.00 N ATOM 941 CA ALA A 60 113.584 -10.106 -18.162 1.00 0.00 C ATOM 942 C ALA A 60 112.305 -10.544 -17.457 1.00 0.00 C ATOM 943 O ALA A 60 111.764 -9.820 -16.621 1.00 0.00 O ATOM 944 CB ALA A 60 114.419 -9.244 -17.221 1.00 0.00 C ATOM 0 H ALA A 60 114.099 -9.215 -19.984 1.00 0.00 H new ATOM 0 HA ALA A 60 114.141 -11.001 -18.439 1.00 0.00 H new ATOM 0 HB1 ALA A 60 114.638 -9.804 -16.312 1.00 0.00 H new ATOM 0 HB2 ALA A 60 115.353 -8.970 -17.711 1.00 0.00 H new ATOM 0 HB3 ALA A 60 113.864 -8.341 -16.966 1.00 0.00 H new ATOM 950 N PRO A 61 111.827 -11.714 -17.777 1.00 0.00 N ATOM 951 CA PRO A 61 110.590 -12.284 -17.165 1.00 0.00 C ATOM 952 C PRO A 61 110.738 -12.487 -15.659 1.00 0.00 C ATOM 953 O PRO A 61 110.234 -13.464 -15.105 1.00 0.00 O ATOM 954 CB PRO A 61 110.409 -13.633 -17.874 1.00 0.00 C ATOM 955 CG PRO A 61 111.265 -13.572 -19.095 1.00 0.00 C ATOM 956 CD PRO A 61 112.413 -12.626 -18.766 1.00 0.00 C ATOM 0 HA PRO A 61 109.736 -11.617 -17.286 1.00 0.00 H new ATOM 0 HB2 PRO A 61 110.709 -14.457 -17.227 1.00 0.00 H new ATOM 0 HB3 PRO A 61 109.364 -13.799 -18.137 1.00 0.00 H new ATOM 0 HG2 PRO A 61 111.640 -14.562 -19.357 1.00 0.00 H new ATOM 0 HG3 PRO A 61 110.696 -13.210 -19.951 1.00 0.00 H new ATOM 0 HD2 PRO A 61 113.271 -13.161 -18.360 1.00 0.00 H new ATOM 0 HD3 PRO A 61 112.760 -12.091 -19.650 1.00 0.00 H new ATOM 964 N PHE A 62 111.426 -11.561 -15.002 1.00 0.00 N ATOM 965 CA PHE A 62 111.621 -11.660 -13.564 1.00 0.00 C ATOM 966 C PHE A 62 112.251 -10.387 -13.000 1.00 0.00 C ATOM 967 O PHE A 62 112.936 -9.651 -13.711 1.00 0.00 O ATOM 968 CB PHE A 62 112.486 -12.878 -13.248 1.00 0.00 C ATOM 969 CG PHE A 62 113.929 -12.477 -13.112 1.00 0.00 C ATOM 970 CD1 PHE A 62 114.593 -11.875 -14.186 1.00 0.00 C ATOM 971 CD2 PHE A 62 114.607 -12.719 -11.914 1.00 0.00 C ATOM 972 CE1 PHE A 62 115.939 -11.516 -14.061 1.00 0.00 C ATOM 973 CE2 PHE A 62 115.951 -12.359 -11.786 1.00 0.00 C ATOM 974 CZ PHE A 62 116.619 -11.757 -12.861 1.00 0.00 C ATOM 0 H PHE A 62 111.853 -10.743 -15.437 1.00 0.00 H new ATOM 0 HA PHE A 62 110.647 -11.779 -13.088 1.00 0.00 H new ATOM 0 HB2 PHE A 62 112.144 -13.345 -12.325 1.00 0.00 H new ATOM 0 HB3 PHE A 62 112.382 -13.621 -14.039 1.00 0.00 H new ATOM 0 HD1 PHE A 62 114.067 -11.688 -15.110 1.00 0.00 H new ATOM 0 HD2 PHE A 62 114.092 -13.184 -11.087 1.00 0.00 H new ATOM 0 HE1 PHE A 62 116.454 -11.053 -14.890 1.00 0.00 H new ATOM 0 HE2 PHE A 62 116.474 -12.544 -10.860 1.00 0.00 H new ATOM 0 HZ PHE A 62 117.658 -11.479 -12.764 1.00 0.00 H new ATOM 984 N GLU A 63 111.999 -10.132 -11.718 1.00 0.00 N ATOM 985 CA GLU A 63 112.526 -8.942 -11.055 1.00 0.00 C ATOM 986 C GLU A 63 113.502 -9.318 -9.944 1.00 0.00 C ATOM 987 O GLU A 63 113.360 -10.358 -9.302 1.00 0.00 O ATOM 988 CB GLU A 63 111.374 -8.127 -10.465 1.00 0.00 C ATOM 989 CG GLU A 63 111.890 -6.758 -10.021 1.00 0.00 C ATOM 990 CD GLU A 63 111.494 -6.496 -8.572 1.00 0.00 C ATOM 991 OE1 GLU A 63 110.411 -5.975 -8.359 1.00 0.00 O ATOM 992 OE2 GLU A 63 112.278 -6.820 -7.696 1.00 0.00 O ATOM 0 H GLU A 63 111.434 -10.733 -11.118 1.00 0.00 H new ATOM 0 HA GLU A 63 113.059 -8.348 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.584 -8.006 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.938 -8.655 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 63 112.974 -6.718 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 63 111.481 -5.980 -10.665 1.00 0.00 H new ATOM 999 N ILE A 64 114.488 -8.453 -9.720 1.00 0.00 N ATOM 1000 CA ILE A 64 115.480 -8.693 -8.679 1.00 0.00 C ATOM 1001 C ILE A 64 115.103 -7.952 -7.402 1.00 0.00 C ATOM 1002 O ILE A 64 114.812 -6.756 -7.427 1.00 0.00 O ATOM 1003 CB ILE A 64 116.867 -8.228 -9.149 1.00 0.00 C ATOM 1004 CG1 ILE A 64 117.791 -9.438 -9.310 1.00 0.00 C ATOM 1005 CG2 ILE A 64 117.473 -7.272 -8.117 1.00 0.00 C ATOM 1006 CD1 ILE A 64 117.550 -10.088 -10.671 1.00 0.00 C ATOM 0 H ILE A 64 114.620 -7.586 -10.242 1.00 0.00 H new ATOM 0 HA ILE A 64 115.508 -9.763 -8.475 1.00 0.00 H new ATOM 0 HB ILE A 64 116.762 -7.715 -10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 64 118.832 -9.128 -9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 64 117.606 -10.159 -8.513 1.00 0.00 H new ATOM 0 HG21 ILE A 64 118.456 -6.946 -8.456 1.00 0.00 H new ATOM 0 HG22 ILE A 64 116.824 -6.404 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 64 117.571 -7.784 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 64 118.208 -10.949 -10.785 1.00 0.00 H new ATOM 0 HD12 ILE A 64 116.512 -10.413 -10.740 1.00 0.00 H new ATOM 0 HD13 ILE A 64 117.758 -9.366 -11.461 1.00 0.00 H new ATOM 1018 N ILE A 65 115.128 -8.666 -6.285 1.00 0.00 N ATOM 1019 CA ILE A 65 114.805 -8.065 -4.999 1.00 0.00 C ATOM 1020 C ILE A 65 116.091 -7.665 -4.284 1.00 0.00 C ATOM 1021 O ILE A 65 117.056 -8.433 -4.257 1.00 0.00 O ATOM 1022 CB ILE A 65 114.021 -9.058 -4.137 1.00 0.00 C ATOM 1023 CG1 ILE A 65 113.275 -10.041 -5.043 1.00 0.00 C ATOM 1024 CG2 ILE A 65 113.015 -8.302 -3.270 1.00 0.00 C ATOM 1025 CD1 ILE A 65 112.249 -9.282 -5.886 1.00 0.00 C ATOM 0 H ILE A 65 115.367 -9.657 -6.243 1.00 0.00 H new ATOM 0 HA ILE A 65 114.192 -7.179 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 65 114.712 -9.605 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 65 113.980 -10.561 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 65 112.776 -10.800 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 65 112.458 -9.011 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 65 113.545 -7.602 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 65 112.323 -7.753 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 65 111.718 -9.982 -6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 65 111.537 -8.782 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 65 112.760 -8.540 -6.499 1.00 0.00 H new ATOM 1037 N PHE A 66 116.106 -6.467 -3.708 1.00 0.00 N ATOM 1038 CA PHE A 66 117.291 -5.993 -3.003 1.00 0.00 C ATOM 1039 C PHE A 66 117.165 -6.247 -1.506 1.00 0.00 C ATOM 1040 O PHE A 66 116.481 -5.512 -0.793 1.00 0.00 O ATOM 1041 CB PHE A 66 117.490 -4.499 -3.258 1.00 0.00 C ATOM 1042 CG PHE A 66 118.954 -4.219 -3.502 1.00 0.00 C ATOM 1043 CD1 PHE A 66 119.641 -4.907 -4.510 1.00 0.00 C ATOM 1044 CD2 PHE A 66 119.625 -3.270 -2.721 1.00 0.00 C ATOM 1045 CE1 PHE A 66 120.998 -4.647 -4.736 1.00 0.00 C ATOM 1046 CE2 PHE A 66 120.982 -3.010 -2.947 1.00 0.00 C ATOM 1047 CZ PHE A 66 121.668 -3.699 -3.955 1.00 0.00 C ATOM 0 H PHE A 66 115.322 -5.814 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 66 118.155 -6.541 -3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 66 116.900 -4.185 -4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 66 117.137 -3.923 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 66 119.124 -5.638 -5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 66 119.096 -2.738 -1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 66 121.528 -5.178 -5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 66 121.500 -2.278 -2.344 1.00 0.00 H new ATOM 0 HZ PHE A 66 122.715 -3.498 -4.130 1.00 0.00 H new ATOM 1057 N VAL A 67 117.835 -7.293 -1.037 1.00 0.00 N ATOM 1058 CA VAL A 67 117.803 -7.644 0.378 1.00 0.00 C ATOM 1059 C VAL A 67 119.213 -7.918 0.883 1.00 0.00 C ATOM 1060 O VAL A 67 119.703 -9.043 0.795 1.00 0.00 O ATOM 1061 CB VAL A 67 116.944 -8.890 0.582 1.00 0.00 C ATOM 1062 CG1 VAL A 67 116.539 -8.998 2.053 1.00 0.00 C ATOM 1063 CG2 VAL A 67 115.687 -8.791 -0.287 1.00 0.00 C ATOM 0 H VAL A 67 118.405 -7.911 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 67 117.377 -6.810 0.936 1.00 0.00 H new ATOM 0 HB VAL A 67 117.515 -9.774 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 67 115.926 -9.888 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 67 117.433 -9.069 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 67 115.969 -8.114 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 67 115.073 -9.680 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 67 115.117 -7.906 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 67 115.975 -8.716 -1.336 1.00 0.00 H new ATOM 1073 N SER A 68 119.867 -6.886 1.402 1.00 0.00 N ATOM 1074 CA SER A 68 121.226 -7.039 1.902 1.00 0.00 C ATOM 1075 C SER A 68 121.753 -5.719 2.450 1.00 0.00 C ATOM 1076 O SER A 68 121.359 -4.649 1.991 1.00 0.00 O ATOM 1077 CB SER A 68 122.138 -7.528 0.781 1.00 0.00 C ATOM 1078 OG SER A 68 123.184 -8.311 1.339 1.00 0.00 O ATOM 0 H SER A 68 119.483 -5.945 1.487 1.00 0.00 H new ATOM 0 HA SER A 68 121.214 -7.771 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 68 121.568 -8.119 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 68 122.553 -6.679 0.237 1.00 0.00 H new ATOM 0 HG SER A 68 122.800 -9.043 1.865 1.00 0.00 H new ATOM 1084 N SER A 69 122.642 -5.806 3.434 1.00 0.00 N ATOM 1085 CA SER A 69 123.220 -4.615 4.046 1.00 0.00 C ATOM 1086 C SER A 69 123.439 -3.520 3.006 1.00 0.00 C ATOM 1087 O SER A 69 124.570 -3.241 2.608 1.00 0.00 O ATOM 1088 CB SER A 69 124.553 -4.964 4.708 1.00 0.00 C ATOM 1089 OG SER A 69 124.366 -5.069 6.113 1.00 0.00 O ATOM 0 H SER A 69 122.977 -6.687 3.824 1.00 0.00 H new ATOM 0 HA SER A 69 122.523 -4.246 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 69 124.935 -5.904 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 69 125.295 -4.197 4.485 1.00 0.00 H new ATOM 0 HG SER A 69 125.219 -5.294 6.541 1.00 0.00 H new ATOM 1095 N ASP A 70 122.345 -2.901 2.579 1.00 0.00 N ATOM 1096 CA ASP A 70 122.408 -1.829 1.593 1.00 0.00 C ATOM 1097 C ASP A 70 121.970 -0.522 2.229 1.00 0.00 C ATOM 1098 O ASP A 70 121.744 0.473 1.542 1.00 0.00 O ATOM 1099 CB ASP A 70 121.500 -2.138 0.406 1.00 0.00 C ATOM 1100 CG ASP A 70 121.839 -3.507 -0.172 1.00 0.00 C ATOM 1101 OD1 ASP A 70 122.964 -3.681 -0.612 1.00 0.00 O ATOM 1102 OD2 ASP A 70 120.969 -4.362 -0.169 1.00 0.00 O ATOM 0 H ASP A 70 121.403 -3.123 2.900 1.00 0.00 H new ATOM 0 HA ASP A 70 123.436 -1.744 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 70 120.457 -2.116 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 70 121.618 -1.372 -0.361 1.00 0.00 H new ATOM 1107 N ARG A 71 121.833 -0.548 3.549 1.00 0.00 N ATOM 1108 CA ARG A 71 121.402 0.626 4.299 1.00 0.00 C ATOM 1109 C ARG A 71 121.885 1.912 3.638 1.00 0.00 C ATOM 1110 O ARG A 71 121.452 3.003 4.006 1.00 0.00 O ATOM 1111 CB ARG A 71 121.932 0.561 5.733 1.00 0.00 C ATOM 1112 CG ARG A 71 122.871 -0.638 5.886 1.00 0.00 C ATOM 1113 CD ARG A 71 123.283 -0.773 7.350 1.00 0.00 C ATOM 1114 NE ARG A 71 124.542 -1.501 7.455 1.00 0.00 N ATOM 1115 CZ ARG A 71 125.093 -1.753 8.638 1.00 0.00 C ATOM 1116 NH1 ARG A 71 124.507 -1.347 9.731 1.00 0.00 N ATOM 1117 NH2 ARG A 71 126.220 -2.406 8.706 1.00 0.00 N ATOM 0 H ARG A 71 122.014 -1.371 4.124 1.00 0.00 H new ATOM 0 HA ARG A 71 120.312 0.631 4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 71 122.461 1.482 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 71 121.101 0.476 6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 71 122.374 -1.548 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 71 123.753 -0.506 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 71 123.388 0.215 7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 71 122.505 -1.295 7.907 1.00 0.00 H new ATOM 0 HE ARG A 71 125.008 -1.822 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 71 123.626 -0.836 9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 71 124.930 -1.541 10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 71 126.678 -2.723 7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 71 126.643 -2.600 9.614 1.00 0.00 H new ATOM 1131 N SER A 72 122.772 1.788 2.655 1.00 0.00 N ATOM 1132 CA SER A 72 123.274 2.962 1.965 1.00 0.00 C ATOM 1133 C SER A 72 122.338 3.323 0.821 1.00 0.00 C ATOM 1134 O SER A 72 122.246 2.599 -0.169 1.00 0.00 O ATOM 1135 CB SER A 72 124.673 2.692 1.415 1.00 0.00 C ATOM 1136 OG SER A 72 125.641 3.184 2.334 1.00 0.00 O ATOM 0 H SER A 72 123.150 0.900 2.325 1.00 0.00 H new ATOM 0 HA SER A 72 123.324 3.791 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 72 124.814 1.623 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 72 124.795 3.176 0.446 1.00 0.00 H new ATOM 0 HG SER A 72 126.534 2.889 2.058 1.00 0.00 H new ATOM 1142 N GLU A 73 121.646 4.446 0.958 1.00 0.00 N ATOM 1143 CA GLU A 73 120.723 4.884 -0.077 1.00 0.00 C ATOM 1144 C GLU A 73 121.490 5.244 -1.338 1.00 0.00 C ATOM 1145 O GLU A 73 120.986 5.097 -2.452 1.00 0.00 O ATOM 1146 CB GLU A 73 119.921 6.093 0.405 1.00 0.00 C ATOM 1147 CG GLU A 73 118.718 5.616 1.222 1.00 0.00 C ATOM 1148 CD GLU A 73 117.824 6.800 1.572 1.00 0.00 C ATOM 1149 OE1 GLU A 73 118.006 7.850 0.980 1.00 0.00 O ATOM 1150 OE2 GLU A 73 116.968 6.638 2.427 1.00 0.00 O ATOM 0 H GLU A 73 121.706 5.064 1.767 1.00 0.00 H new ATOM 0 HA GLU A 73 120.033 4.069 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 73 120.552 6.742 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 73 119.584 6.682 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 73 118.152 4.878 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 73 119.059 5.125 2.133 1.00 0.00 H new ATOM 1157 N ASP A 74 122.720 5.707 -1.156 1.00 0.00 N ATOM 1158 CA ASP A 74 123.552 6.075 -2.289 1.00 0.00 C ATOM 1159 C ASP A 74 124.177 4.833 -2.902 1.00 0.00 C ATOM 1160 O ASP A 74 124.123 4.639 -4.116 1.00 0.00 O ATOM 1161 CB ASP A 74 124.649 7.046 -1.847 1.00 0.00 C ATOM 1162 CG ASP A 74 124.664 8.267 -2.761 1.00 0.00 C ATOM 1163 OD1 ASP A 74 123.594 8.699 -3.157 1.00 0.00 O ATOM 1164 OD2 ASP A 74 125.745 8.751 -3.052 1.00 0.00 O ATOM 0 H ASP A 74 123.158 5.835 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 74 122.928 6.565 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 74 124.478 7.355 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 74 125.619 6.549 -1.874 1.00 0.00 H new ATOM 1169 N ASP A 75 124.760 3.984 -2.062 1.00 0.00 N ATOM 1170 CA ASP A 75 125.374 2.763 -2.555 1.00 0.00 C ATOM 1171 C ASP A 75 124.293 1.806 -3.037 1.00 0.00 C ATOM 1172 O ASP A 75 124.564 0.875 -3.795 1.00 0.00 O ATOM 1173 CB ASP A 75 126.200 2.106 -1.448 1.00 0.00 C ATOM 1174 CG ASP A 75 126.949 3.174 -0.657 1.00 0.00 C ATOM 1175 OD1 ASP A 75 127.499 4.068 -1.281 1.00 0.00 O ATOM 1176 OD2 ASP A 75 126.962 3.083 0.558 1.00 0.00 O ATOM 0 H ASP A 75 124.819 4.118 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 75 126.035 3.006 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 75 125.548 1.539 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 75 126.907 1.398 -1.881 1.00 0.00 H new ATOM 1181 N MET A 76 123.059 2.053 -2.601 1.00 0.00 N ATOM 1182 CA MET A 76 121.941 1.215 -3.006 1.00 0.00 C ATOM 1183 C MET A 76 121.531 1.552 -4.434 1.00 0.00 C ATOM 1184 O MET A 76 121.480 0.675 -5.296 1.00 0.00 O ATOM 1185 CB MET A 76 120.756 1.425 -2.059 1.00 0.00 C ATOM 1186 CG MET A 76 119.553 0.614 -2.549 1.00 0.00 C ATOM 1187 SD MET A 76 118.077 1.102 -1.621 1.00 0.00 S ATOM 1188 CE MET A 76 118.830 1.125 0.024 1.00 0.00 C ATOM 0 H MET A 76 122.813 2.819 -1.974 1.00 0.00 H new ATOM 0 HA MET A 76 122.248 0.170 -2.961 1.00 0.00 H new ATOM 0 HB2 MET A 76 121.027 1.118 -1.049 1.00 0.00 H new ATOM 0 HB3 MET A 76 120.499 2.483 -2.012 1.00 0.00 H new ATOM 0 HG2 MET A 76 119.398 0.782 -3.615 1.00 0.00 H new ATOM 0 HG3 MET A 76 119.742 -0.452 -2.418 1.00 0.00 H new ATOM 0 HE1 MET A 76 118.047 1.124 0.783 1.00 0.00 H new ATOM 0 HE2 MET A 76 119.458 0.243 0.149 1.00 0.00 H new ATOM 0 HE3 MET A 76 119.439 2.022 0.133 1.00 0.00 H new ATOM 1198 N PHE A 77 121.244 2.829 -4.684 1.00 0.00 N ATOM 1199 CA PHE A 77 120.845 3.253 -6.021 1.00 0.00 C ATOM 1200 C PHE A 77 122.047 3.253 -6.957 1.00 0.00 C ATOM 1201 O PHE A 77 121.913 3.019 -8.157 1.00 0.00 O ATOM 1202 CB PHE A 77 120.234 4.655 -5.971 1.00 0.00 C ATOM 1203 CG PHE A 77 119.344 4.780 -4.756 1.00 0.00 C ATOM 1204 CD1 PHE A 77 118.534 3.708 -4.364 1.00 0.00 C ATOM 1205 CD2 PHE A 77 119.329 5.973 -4.023 1.00 0.00 C ATOM 1206 CE1 PHE A 77 117.709 3.828 -3.240 1.00 0.00 C ATOM 1207 CE2 PHE A 77 118.505 6.092 -2.897 1.00 0.00 C ATOM 1208 CZ PHE A 77 117.694 5.020 -2.506 1.00 0.00 C ATOM 0 H PHE A 77 121.280 3.575 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 77 120.101 2.551 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 77 121.024 5.405 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 77 119.658 4.844 -6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 77 118.546 2.788 -4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 77 119.953 6.801 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 77 117.084 3.001 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 77 118.495 7.011 -2.330 1.00 0.00 H new ATOM 0 HZ PHE A 77 117.057 5.113 -1.639 1.00 0.00 H new ATOM 1218 N GLN A 78 123.225 3.515 -6.399 1.00 0.00 N ATOM 1219 CA GLN A 78 124.444 3.539 -7.196 1.00 0.00 C ATOM 1220 C GLN A 78 124.818 2.129 -7.635 1.00 0.00 C ATOM 1221 O GLN A 78 124.968 1.857 -8.826 1.00 0.00 O ATOM 1222 CB GLN A 78 125.590 4.146 -6.382 1.00 0.00 C ATOM 1223 CG GLN A 78 126.852 4.204 -7.243 1.00 0.00 C ATOM 1224 CD GLN A 78 128.064 4.509 -6.371 1.00 0.00 C ATOM 1225 OE1 GLN A 78 127.993 5.357 -5.481 1.00 0.00 O ATOM 1226 NE2 GLN A 78 129.181 3.865 -6.573 1.00 0.00 N ATOM 0 H GLN A 78 123.360 3.712 -5.407 1.00 0.00 H new ATOM 0 HA GLN A 78 124.268 4.150 -8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 78 125.321 5.147 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 78 125.773 3.548 -5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 78 126.994 3.254 -7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 78 126.744 4.970 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 78 129.239 3.163 -7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 78 129.996 4.064 -5.993 1.00 0.00 H new ATOM 1235 N TYR A 79 124.971 1.241 -6.662 1.00 0.00 N ATOM 1236 CA TYR A 79 125.333 -0.142 -6.951 1.00 0.00 C ATOM 1237 C TYR A 79 124.236 -0.837 -7.751 1.00 0.00 C ATOM 1238 O TYR A 79 124.500 -1.797 -8.475 1.00 0.00 O ATOM 1239 CB TYR A 79 125.572 -0.903 -5.645 1.00 0.00 C ATOM 1240 CG TYR A 79 126.428 -2.115 -5.920 1.00 0.00 C ATOM 1241 CD1 TYR A 79 127.816 -1.979 -6.042 1.00 0.00 C ATOM 1242 CD2 TYR A 79 125.834 -3.376 -6.053 1.00 0.00 C ATOM 1243 CE1 TYR A 79 128.610 -3.104 -6.298 1.00 0.00 C ATOM 1244 CE2 TYR A 79 126.627 -4.500 -6.309 1.00 0.00 C ATOM 1245 CZ TYR A 79 128.016 -4.365 -6.431 1.00 0.00 C ATOM 1246 OH TYR A 79 128.798 -5.473 -6.683 1.00 0.00 O ATOM 0 H TYR A 79 124.851 1.451 -5.671 1.00 0.00 H new ATOM 0 HA TYR A 79 126.247 -0.137 -7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 79 126.062 -0.255 -4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 79 124.620 -1.208 -5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 79 128.274 -1.007 -5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 79 124.763 -3.481 -5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 79 129.681 -2.999 -6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 79 126.168 -5.472 -6.413 1.00 0.00 H new ATOM 0 HH TYR A 79 129.685 -5.345 -6.286 1.00 0.00 H new ATOM 1256 N MET A 80 123.004 -0.350 -7.622 1.00 0.00 N ATOM 1257 CA MET A 80 121.886 -0.942 -8.347 1.00 0.00 C ATOM 1258 C MET A 80 121.885 -0.474 -9.799 1.00 0.00 C ATOM 1259 O MET A 80 121.518 -1.223 -10.704 1.00 0.00 O ATOM 1260 CB MET A 80 120.565 -0.551 -7.682 1.00 0.00 C ATOM 1261 CG MET A 80 120.283 -1.494 -6.511 1.00 0.00 C ATOM 1262 SD MET A 80 118.947 -2.630 -6.957 1.00 0.00 S ATOM 1263 CE MET A 80 117.657 -1.382 -7.189 1.00 0.00 C ATOM 0 H MET A 80 122.758 0.443 -7.030 1.00 0.00 H new ATOM 0 HA MET A 80 121.995 -2.026 -8.325 1.00 0.00 H new ATOM 0 HB2 MET A 80 120.614 0.479 -7.329 1.00 0.00 H new ATOM 0 HB3 MET A 80 119.752 -0.601 -8.407 1.00 0.00 H new ATOM 0 HG2 MET A 80 121.182 -2.055 -6.258 1.00 0.00 H new ATOM 0 HG3 MET A 80 120.006 -0.920 -5.627 1.00 0.00 H new ATOM 0 HE1 MET A 80 116.686 -1.813 -6.947 1.00 0.00 H new ATOM 0 HE2 MET A 80 117.850 -0.533 -6.534 1.00 0.00 H new ATOM 0 HE3 MET A 80 117.657 -1.047 -8.226 1.00 0.00 H new ATOM 1273 N MET A 81 122.303 0.770 -10.009 1.00 0.00 N ATOM 1274 CA MET A 81 122.353 1.336 -11.349 1.00 0.00 C ATOM 1275 C MET A 81 123.635 0.908 -12.061 1.00 0.00 C ATOM 1276 O MET A 81 123.729 0.976 -13.286 1.00 0.00 O ATOM 1277 CB MET A 81 122.280 2.864 -11.258 1.00 0.00 C ATOM 1278 CG MET A 81 123.248 3.495 -12.257 1.00 0.00 C ATOM 1279 SD MET A 81 122.832 5.244 -12.471 1.00 0.00 S ATOM 1280 CE MET A 81 121.152 4.995 -13.094 1.00 0.00 C ATOM 0 H MET A 81 122.611 1.402 -9.270 1.00 0.00 H new ATOM 0 HA MET A 81 121.504 0.968 -11.925 1.00 0.00 H new ATOM 0 HB2 MET A 81 121.264 3.200 -11.462 1.00 0.00 H new ATOM 0 HB3 MET A 81 122.526 3.188 -10.247 1.00 0.00 H new ATOM 0 HG2 MET A 81 124.273 3.394 -11.901 1.00 0.00 H new ATOM 0 HG3 MET A 81 123.191 2.976 -13.214 1.00 0.00 H new ATOM 0 HE1 MET A 81 120.890 5.810 -13.769 1.00 0.00 H new ATOM 0 HE2 MET A 81 121.100 4.048 -13.631 1.00 0.00 H new ATOM 0 HE3 MET A 81 120.453 4.977 -12.258 1.00 0.00 H new ATOM 1290 N GLU A 82 124.622 0.471 -11.285 1.00 0.00 N ATOM 1291 CA GLU A 82 125.897 0.041 -11.851 1.00 0.00 C ATOM 1292 C GLU A 82 125.704 -1.097 -12.849 1.00 0.00 C ATOM 1293 O GLU A 82 126.592 -1.375 -13.653 1.00 0.00 O ATOM 1294 CB GLU A 82 126.833 -0.416 -10.731 1.00 0.00 C ATOM 1295 CG GLU A 82 127.745 0.742 -10.322 1.00 0.00 C ATOM 1296 CD GLU A 82 128.632 0.321 -9.155 1.00 0.00 C ATOM 1297 OE1 GLU A 82 128.914 -0.861 -9.048 1.00 0.00 O ATOM 1298 OE2 GLU A 82 129.014 1.186 -8.385 1.00 0.00 O ATOM 0 H GLU A 82 124.565 0.405 -10.269 1.00 0.00 H new ATOM 0 HA GLU A 82 126.335 0.889 -12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 82 126.252 -0.755 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 82 127.432 -1.263 -11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 82 128.362 1.046 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 82 127.144 1.606 -10.039 1.00 0.00 H new ATOM 1305 N SER A 83 124.539 -1.743 -12.795 1.00 0.00 N ATOM 1306 CA SER A 83 124.230 -2.849 -13.702 1.00 0.00 C ATOM 1307 C SER A 83 123.644 -4.031 -12.934 1.00 0.00 C ATOM 1308 O SER A 83 123.378 -5.084 -13.511 1.00 0.00 O ATOM 1309 CB SER A 83 125.485 -3.308 -14.447 1.00 0.00 C ATOM 1310 OG SER A 83 125.851 -2.322 -15.404 1.00 0.00 O ATOM 0 H SER A 83 123.795 -1.520 -12.134 1.00 0.00 H new ATOM 0 HA SER A 83 123.496 -2.488 -14.423 1.00 0.00 H new ATOM 0 HB2 SER A 83 126.301 -3.468 -13.743 1.00 0.00 H new ATOM 0 HB3 SER A 83 125.299 -4.261 -14.943 1.00 0.00 H new ATOM 0 HG SER A 83 126.381 -1.623 -14.967 1.00 0.00 H new ATOM 1316 N HIS A 84 123.450 -3.853 -11.632 1.00 0.00 N ATOM 1317 CA HIS A 84 122.899 -4.917 -10.803 1.00 0.00 C ATOM 1318 C HIS A 84 121.404 -4.709 -10.584 1.00 0.00 C ATOM 1319 O HIS A 84 120.991 -3.768 -9.908 1.00 0.00 O ATOM 1320 CB HIS A 84 123.618 -4.950 -9.453 1.00 0.00 C ATOM 1321 CG HIS A 84 124.107 -6.346 -9.174 1.00 0.00 C ATOM 1322 ND1 HIS A 84 124.105 -6.888 -7.898 1.00 0.00 N ATOM 1323 CD2 HIS A 84 124.620 -7.321 -9.995 1.00 0.00 C ATOM 1324 CE1 HIS A 84 124.600 -8.136 -7.986 1.00 0.00 C ATOM 1325 NE2 HIS A 84 124.929 -8.450 -9.242 1.00 0.00 N ATOM 0 H HIS A 84 123.664 -2.990 -11.132 1.00 0.00 H new ATOM 0 HA HIS A 84 123.047 -5.867 -11.317 1.00 0.00 H new ATOM 0 HB2 HIS A 84 124.457 -4.255 -9.460 1.00 0.00 H new ATOM 0 HB3 HIS A 84 122.942 -4.626 -8.662 1.00 0.00 H new ATOM 0 HD1 HIS A 84 123.786 -6.425 -7.047 1.00 0.00 H new ATOM 0 HD2 HIS A 84 124.762 -7.226 -11.061 1.00 0.00 H new ATOM 0 HE1 HIS A 84 124.717 -8.802 -7.144 1.00 0.00 H new ATOM 1334 N GLY A 85 120.598 -5.595 -11.162 1.00 0.00 N ATOM 1335 CA GLY A 85 119.148 -5.499 -11.025 1.00 0.00 C ATOM 1336 C GLY A 85 118.649 -4.130 -11.467 1.00 0.00 C ATOM 1337 O GLY A 85 119.194 -3.103 -11.060 1.00 0.00 O ATOM 0 H GLY A 85 120.921 -6.382 -11.725 1.00 0.00 H new ATOM 0 HA2 GLY A 85 118.670 -6.275 -11.623 1.00 0.00 H new ATOM 0 HA3 GLY A 85 118.864 -5.676 -9.988 1.00 0.00 H new ATOM 1341 N ASP A 86 117.616 -4.113 -12.307 1.00 0.00 N ATOM 1342 CA ASP A 86 117.077 -2.847 -12.790 1.00 0.00 C ATOM 1343 C ASP A 86 115.572 -2.741 -12.544 1.00 0.00 C ATOM 1344 O ASP A 86 114.791 -2.639 -13.488 1.00 0.00 O ATOM 1345 CB ASP A 86 117.363 -2.695 -14.286 1.00 0.00 C ATOM 1346 CG ASP A 86 116.475 -1.608 -14.881 1.00 0.00 C ATOM 1347 OD1 ASP A 86 116.682 -0.453 -14.546 1.00 0.00 O ATOM 1348 OD2 ASP A 86 115.601 -1.945 -15.663 1.00 0.00 O ATOM 0 H ASP A 86 117.144 -4.945 -12.661 1.00 0.00 H new ATOM 0 HA ASP A 86 117.567 -2.047 -12.235 1.00 0.00 H new ATOM 0 HB2 ASP A 86 118.412 -2.443 -14.440 1.00 0.00 H new ATOM 0 HB3 ASP A 86 117.184 -3.641 -14.796 1.00 0.00 H new ATOM 1353 N TRP A 87 115.167 -2.750 -11.274 1.00 0.00 N ATOM 1354 CA TRP A 87 113.747 -2.636 -10.949 1.00 0.00 C ATOM 1355 C TRP A 87 113.530 -1.954 -9.602 1.00 0.00 C ATOM 1356 O TRP A 87 113.529 -0.727 -9.517 1.00 0.00 O ATOM 1357 CB TRP A 87 113.086 -4.013 -10.950 1.00 0.00 C ATOM 1358 CG TRP A 87 113.295 -4.632 -12.290 1.00 0.00 C ATOM 1359 CD1 TRP A 87 112.531 -4.408 -13.383 1.00 0.00 C ATOM 1360 CD2 TRP A 87 114.337 -5.553 -12.698 1.00 0.00 C ATOM 1361 NE1 TRP A 87 113.045 -5.137 -14.441 1.00 0.00 N ATOM 1362 CE2 TRP A 87 114.161 -5.859 -14.066 1.00 0.00 C ATOM 1363 CE3 TRP A 87 115.409 -6.146 -12.017 1.00 0.00 C ATOM 1364 CZ2 TRP A 87 115.024 -6.723 -14.735 1.00 0.00 C ATOM 1365 CZ3 TRP A 87 116.279 -7.015 -12.685 1.00 0.00 C ATOM 1366 CH2 TRP A 87 116.089 -7.303 -14.041 1.00 0.00 C ATOM 0 H TRP A 87 115.788 -2.833 -10.469 1.00 0.00 H new ATOM 0 HA TRP A 87 113.285 -2.016 -11.717 1.00 0.00 H new ATOM 0 HB2 TRP A 87 113.517 -4.641 -10.170 1.00 0.00 H new ATOM 0 HB3 TRP A 87 112.021 -3.923 -10.735 1.00 0.00 H new ATOM 0 HD1 TRP A 87 111.663 -3.766 -13.424 1.00 0.00 H new ATOM 0 HE1 TRP A 87 112.649 -5.141 -15.381 1.00 0.00 H new ATOM 0 HE3 TRP A 87 115.565 -5.931 -10.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 114.871 -6.943 -15.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 117.102 -7.466 -12.151 1.00 0.00 H new ATOM 0 HH2 TRP A 87 116.765 -7.973 -14.551 1.00 0.00 H new ATOM 1377 N LEU A 88 113.309 -2.746 -8.556 1.00 0.00 N ATOM 1378 CA LEU A 88 113.053 -2.173 -7.238 1.00 0.00 C ATOM 1379 C LEU A 88 113.976 -2.734 -6.160 1.00 0.00 C ATOM 1380 O LEU A 88 114.783 -3.631 -6.402 1.00 0.00 O ATOM 1381 CB LEU A 88 111.598 -2.428 -6.846 1.00 0.00 C ATOM 1382 CG LEU A 88 110.679 -1.925 -7.961 1.00 0.00 C ATOM 1383 CD1 LEU A 88 109.858 -3.090 -8.514 1.00 0.00 C ATOM 1384 CD2 LEU A 88 109.737 -0.858 -7.403 1.00 0.00 C ATOM 0 H LEU A 88 113.302 -3.765 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 88 113.251 -1.103 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 88 111.436 -3.493 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 88 111.367 -1.919 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 88 111.283 -1.496 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 88 109.204 -2.730 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 88 110.529 -3.851 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 88 109.255 -3.522 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 88 109.082 -0.499 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 88 109.135 -1.287 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 88 110.321 -0.026 -7.011 1.00 0.00 H new ATOM 1396 N ALA A 89 113.829 -2.171 -4.965 1.00 0.00 N ATOM 1397 CA ALA A 89 114.626 -2.575 -3.812 1.00 0.00 C ATOM 1398 C ALA A 89 113.851 -2.341 -2.521 1.00 0.00 C ATOM 1399 O ALA A 89 113.346 -1.244 -2.281 1.00 0.00 O ATOM 1400 CB ALA A 89 115.932 -1.778 -3.778 1.00 0.00 C ATOM 0 H ALA A 89 113.159 -1.427 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 89 114.851 -3.638 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 89 116.523 -2.084 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 89 116.498 -1.967 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 89 115.707 -0.714 -3.705 1.00 0.00 H new ATOM 1406 N ILE A 90 113.761 -3.375 -1.690 1.00 0.00 N ATOM 1407 CA ILE A 90 113.043 -3.261 -0.425 1.00 0.00 C ATOM 1408 C ILE A 90 113.848 -2.449 0.575 1.00 0.00 C ATOM 1409 O ILE A 90 114.947 -2.846 0.964 1.00 0.00 O ATOM 1410 CB ILE A 90 112.791 -4.639 0.172 1.00 0.00 C ATOM 1411 CG1 ILE A 90 112.713 -5.681 -0.949 1.00 0.00 C ATOM 1412 CG2 ILE A 90 111.479 -4.617 0.961 1.00 0.00 C ATOM 1413 CD1 ILE A 90 111.636 -6.720 -0.621 1.00 0.00 C ATOM 0 H ILE A 90 114.171 -4.292 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 90 112.094 -2.764 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 90 113.609 -4.903 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 90 112.483 -5.193 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 90 113.679 -6.171 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 90 111.296 -5.602 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 90 111.548 -3.880 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 90 110.658 -4.353 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 90 111.586 -7.458 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 90 111.885 -7.218 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 90 110.670 -6.224 -0.523 1.00 0.00 H new ATOM 1425 N PRO A 91 113.328 -1.338 1.009 1.00 0.00 N ATOM 1426 CA PRO A 91 114.026 -0.484 1.997 1.00 0.00 C ATOM 1427 C PRO A 91 114.509 -1.298 3.195 1.00 0.00 C ATOM 1428 O PRO A 91 113.706 -1.774 3.994 1.00 0.00 O ATOM 1429 CB PRO A 91 112.971 0.542 2.418 1.00 0.00 C ATOM 1430 CG PRO A 91 111.980 0.585 1.302 1.00 0.00 C ATOM 1431 CD PRO A 91 112.032 -0.775 0.604 1.00 0.00 C ATOM 0 HA PRO A 91 114.920 -0.019 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 91 112.494 0.251 3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 91 113.421 1.522 2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 91 110.979 0.785 1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 91 112.221 1.386 0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 91 111.205 -1.414 0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 91 111.964 -0.670 -0.479 1.00 0.00 H new ATOM 1439 N TYR A 92 115.823 -1.459 3.303 1.00 0.00 N ATOM 1440 CA TYR A 92 116.409 -2.223 4.400 1.00 0.00 C ATOM 1441 C TYR A 92 115.536 -2.127 5.646 1.00 0.00 C ATOM 1442 O TYR A 92 115.567 -3.003 6.509 1.00 0.00 O ATOM 1443 CB TYR A 92 117.812 -1.697 4.715 1.00 0.00 C ATOM 1444 CG TYR A 92 117.801 -0.186 4.699 1.00 0.00 C ATOM 1445 CD1 TYR A 92 117.770 0.500 3.479 1.00 0.00 C ATOM 1446 CD2 TYR A 92 117.822 0.528 5.903 1.00 0.00 C ATOM 1447 CE1 TYR A 92 117.761 1.901 3.464 1.00 0.00 C ATOM 1448 CE2 TYR A 92 117.813 1.927 5.888 1.00 0.00 C ATOM 1449 CZ TYR A 92 117.782 2.614 4.669 1.00 0.00 C ATOM 1450 OH TYR A 92 117.773 3.993 4.654 1.00 0.00 O ATOM 0 H TYR A 92 116.502 -1.072 2.647 1.00 0.00 H new ATOM 0 HA TYR A 92 116.474 -3.267 4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 92 118.136 -2.058 5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 92 118.526 -2.074 3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 92 117.753 -0.050 2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 92 117.845 -0.001 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 92 117.738 2.431 2.523 1.00 0.00 H new ATOM 0 HE2 TYR A 92 117.830 2.477 6.817 1.00 0.00 H new ATOM 0 HH TYR A 92 117.789 4.330 5.574 1.00 0.00 H new ATOM 1460 N ARG A 93 114.756 -1.056 5.729 1.00 0.00 N ATOM 1461 CA ARG A 93 113.871 -0.851 6.870 1.00 0.00 C ATOM 1462 C ARG A 93 112.512 -1.487 6.610 1.00 0.00 C ATOM 1463 O ARG A 93 111.508 -1.111 7.216 1.00 0.00 O ATOM 1464 CB ARG A 93 113.699 0.645 7.143 1.00 0.00 C ATOM 1465 CG ARG A 93 115.058 1.260 7.490 1.00 0.00 C ATOM 1466 CD ARG A 93 114.903 2.199 8.687 1.00 0.00 C ATOM 1467 NE ARG A 93 113.619 2.887 8.626 1.00 0.00 N ATOM 1468 CZ ARG A 93 113.448 4.075 9.195 1.00 0.00 C ATOM 1469 NH1 ARG A 93 114.440 4.646 9.823 1.00 0.00 N ATOM 1470 NH2 ARG A 93 112.289 4.671 9.127 1.00 0.00 N ATOM 0 H ARG A 93 114.718 -0.320 5.024 1.00 0.00 H new ATOM 0 HA ARG A 93 114.320 -1.324 7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 93 113.277 1.139 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 93 112.998 0.798 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 93 115.776 0.474 7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 93 115.451 1.808 6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 93 114.976 1.632 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 93 115.714 2.927 8.694 1.00 0.00 H new ATOM 0 HE ARG A 93 112.838 2.448 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 93 115.346 4.180 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 93 114.309 5.558 10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 93 111.514 4.225 8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 93 112.158 5.583 9.564 1.00 0.00 H new ATOM 1484 N SER A 94 112.495 -2.448 5.700 1.00 0.00 N ATOM 1485 CA SER A 94 111.263 -3.140 5.344 1.00 0.00 C ATOM 1486 C SER A 94 111.187 -4.498 6.034 1.00 0.00 C ATOM 1487 O SER A 94 111.170 -5.535 5.373 1.00 0.00 O ATOM 1488 CB SER A 94 111.195 -3.334 3.831 1.00 0.00 C ATOM 1489 OG SER A 94 111.297 -2.068 3.191 1.00 0.00 O ATOM 0 H SER A 94 113.320 -2.768 5.193 1.00 0.00 H new ATOM 0 HA SER A 94 110.421 -2.532 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 94 112.002 -3.988 3.500 1.00 0.00 H new ATOM 0 HB3 SER A 94 110.258 -3.819 3.556 1.00 0.00 H new ATOM 0 HG SER A 94 112.061 -1.576 3.558 1.00 0.00 H new ATOM 1495 N GLY A 95 111.141 -4.482 7.363 1.00 0.00 N ATOM 1496 CA GLY A 95 111.067 -5.716 8.142 1.00 0.00 C ATOM 1497 C GLY A 95 110.819 -6.932 7.251 1.00 0.00 C ATOM 1498 O GLY A 95 111.656 -7.831 7.170 1.00 0.00 O ATOM 0 H GLY A 95 111.154 -3.630 7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 95 111.996 -5.854 8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 95 110.267 -5.635 8.878 1.00 0.00 H new ATOM 1502 N PRO A 96 109.694 -6.975 6.584 1.00 0.00 N ATOM 1503 CA PRO A 96 109.337 -8.103 5.680 1.00 0.00 C ATOM 1504 C PRO A 96 110.542 -8.629 4.900 1.00 0.00 C ATOM 1505 O PRO A 96 110.598 -9.807 4.549 1.00 0.00 O ATOM 1506 CB PRO A 96 108.303 -7.482 4.745 1.00 0.00 C ATOM 1507 CG PRO A 96 107.631 -6.418 5.553 1.00 0.00 C ATOM 1508 CD PRO A 96 108.630 -5.957 6.621 1.00 0.00 C ATOM 0 HA PRO A 96 108.966 -8.971 6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 96 108.777 -7.062 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 96 107.586 -8.227 4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 96 107.335 -5.583 4.918 1.00 0.00 H new ATOM 0 HG3 PRO A 96 106.723 -6.804 6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 96 109.021 -4.964 6.399 1.00 0.00 H new ATOM 0 HD3 PRO A 96 108.164 -5.903 7.605 1.00 0.00 H new ATOM 1516 N ALA A 97 111.511 -7.755 4.648 1.00 0.00 N ATOM 1517 CA ALA A 97 112.715 -8.151 3.930 1.00 0.00 C ATOM 1518 C ALA A 97 113.585 -9.022 4.827 1.00 0.00 C ATOM 1519 O ALA A 97 114.204 -9.986 4.372 1.00 0.00 O ATOM 1520 CB ALA A 97 113.499 -6.909 3.498 1.00 0.00 C ATOM 0 H ALA A 97 111.486 -6.775 4.928 1.00 0.00 H new ATOM 0 HA ALA A 97 112.430 -8.718 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 97 114.398 -7.214 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 97 112.878 -6.295 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 97 113.780 -6.332 4.379 1.00 0.00 H new ATOM 1526 N SER A 98 113.605 -8.687 6.114 1.00 0.00 N ATOM 1527 CA SER A 98 114.381 -9.459 7.073 1.00 0.00 C ATOM 1528 C SER A 98 113.712 -10.807 7.286 1.00 0.00 C ATOM 1529 O SER A 98 114.276 -11.852 6.962 1.00 0.00 O ATOM 1530 CB SER A 98 114.474 -8.710 8.403 1.00 0.00 C ATOM 1531 OG SER A 98 115.572 -9.215 9.151 1.00 0.00 O ATOM 0 H SER A 98 113.099 -7.896 6.511 1.00 0.00 H new ATOM 0 HA SER A 98 115.389 -9.606 6.685 1.00 0.00 H new ATOM 0 HB2 SER A 98 114.601 -7.642 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 98 113.549 -8.831 8.967 1.00 0.00 H new ATOM 0 HG SER A 98 115.635 -8.736 10.003 1.00 0.00 H new ATOM 1537 N ASN A 99 112.499 -10.773 7.820 1.00 0.00 N ATOM 1538 CA ASN A 99 111.750 -11.998 8.056 1.00 0.00 C ATOM 1539 C ASN A 99 111.822 -12.887 6.820 1.00 0.00 C ATOM 1540 O ASN A 99 111.849 -14.112 6.922 1.00 0.00 O ATOM 1541 CB ASN A 99 110.288 -11.670 8.371 1.00 0.00 C ATOM 1542 CG ASN A 99 109.557 -12.928 8.826 1.00 0.00 C ATOM 1543 OD1 ASN A 99 108.661 -13.411 8.133 1.00 0.00 O ATOM 1544 ND2 ASN A 99 109.889 -13.492 9.956 1.00 0.00 N ATOM 0 H ASN A 99 112.016 -9.918 8.096 1.00 0.00 H new ATOM 0 HA ASN A 99 112.186 -12.522 8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.237 -10.909 9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 99 109.801 -11.256 7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 99 109.406 -14.335 10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 99 110.632 -13.090 10.528 1.00 0.00 H new ATOM 1551 N VAL A 100 111.864 -12.250 5.653 1.00 0.00 N ATOM 1552 CA VAL A 100 111.946 -12.978 4.392 1.00 0.00 C ATOM 1553 C VAL A 100 113.207 -13.837 4.364 1.00 0.00 C ATOM 1554 O VAL A 100 113.138 -15.059 4.232 1.00 0.00 O ATOM 1555 CB VAL A 100 111.969 -11.988 3.226 1.00 0.00 C ATOM 1556 CG1 VAL A 100 112.665 -12.622 2.022 1.00 0.00 C ATOM 1557 CG2 VAL A 100 110.535 -11.610 2.846 1.00 0.00 C ATOM 0 H VAL A 100 111.843 -11.235 5.555 1.00 0.00 H new ATOM 0 HA VAL A 100 111.074 -13.626 4.299 1.00 0.00 H new ATOM 0 HB VAL A 100 112.514 -11.093 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 100 112.679 -11.913 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 100 113.688 -12.886 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 100 112.126 -13.520 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 100 110.553 -10.905 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 100 109.989 -12.506 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 100 110.041 -11.150 3.702 1.00 0.00 H new ATOM 1567 N THR A 101 114.356 -13.184 4.502 1.00 0.00 N ATOM 1568 CA THR A 101 115.637 -13.887 4.507 1.00 0.00 C ATOM 1569 C THR A 101 115.685 -14.896 5.638 1.00 0.00 C ATOM 1570 O THR A 101 116.115 -16.037 5.468 1.00 0.00 O ATOM 1571 CB THR A 101 116.768 -12.890 4.728 1.00 0.00 C ATOM 1572 OG1 THR A 101 116.509 -11.705 3.989 1.00 0.00 O ATOM 1573 CG2 THR A 101 118.092 -13.507 4.275 1.00 0.00 C ATOM 0 H THR A 101 114.428 -12.172 4.612 1.00 0.00 H new ATOM 0 HA THR A 101 115.748 -14.394 3.549 1.00 0.00 H new ATOM 0 HB THR A 101 116.833 -12.644 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 101 116.703 -11.861 3.041 1.00 0.00 H new ATOM 0 HG21 THR A 101 118.900 -12.792 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 101 118.288 -14.411 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 101 118.033 -13.758 3.216 1.00 0.00 H new ATOM 1581 N ALA A 102 115.242 -14.444 6.795 1.00 0.00 N ATOM 1582 CA ALA A 102 115.226 -15.272 7.983 1.00 0.00 C ATOM 1583 C ALA A 102 114.127 -16.323 7.880 1.00 0.00 C ATOM 1584 O ALA A 102 114.169 -17.353 8.552 1.00 0.00 O ATOM 1585 CB ALA A 102 115.008 -14.383 9.202 1.00 0.00 C ATOM 0 H ALA A 102 114.886 -13.499 6.937 1.00 0.00 H new ATOM 0 HA ALA A 102 116.179 -15.792 8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 102 114.994 -14.997 10.102 1.00 0.00 H new ATOM 0 HB2 ALA A 102 115.817 -13.656 9.271 1.00 0.00 H new ATOM 0 HB3 ALA A 102 114.057 -13.860 9.105 1.00 0.00 H new ATOM 1591 N LYS A 103 113.150 -16.055 7.021 1.00 0.00 N ATOM 1592 CA LYS A 103 112.046 -16.984 6.818 1.00 0.00 C ATOM 1593 C LYS A 103 112.481 -18.124 5.903 1.00 0.00 C ATOM 1594 O LYS A 103 112.098 -19.276 6.105 1.00 0.00 O ATOM 1595 CB LYS A 103 110.852 -16.257 6.198 1.00 0.00 C ATOM 1596 CG LYS A 103 109.896 -17.279 5.579 1.00 0.00 C ATOM 1597 CD LYS A 103 108.460 -16.758 5.670 1.00 0.00 C ATOM 1598 CE LYS A 103 108.339 -15.457 4.874 1.00 0.00 C ATOM 1599 NZ LYS A 103 107.153 -15.535 3.974 1.00 0.00 N ATOM 0 H LYS A 103 113.100 -15.207 6.457 1.00 0.00 H new ATOM 0 HA LYS A 103 111.753 -17.392 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 103 110.334 -15.673 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 103 111.195 -15.556 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 103 110.163 -17.458 4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 103 109.981 -18.233 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 103 107.766 -17.502 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 103 108.189 -16.586 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 103 108.239 -14.610 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 103 109.243 -15.291 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 107.070 -14.651 3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 107.267 -16.334 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 106.294 -15.675 4.543 1.00 0.00 H new ATOM 1613 N TYR A 104 113.286 -17.793 4.897 1.00 0.00 N ATOM 1614 CA TYR A 104 113.769 -18.797 3.958 1.00 0.00 C ATOM 1615 C TYR A 104 114.877 -19.632 4.592 1.00 0.00 C ATOM 1616 O TYR A 104 115.182 -20.731 4.129 1.00 0.00 O ATOM 1617 CB TYR A 104 114.299 -18.119 2.693 1.00 0.00 C ATOM 1618 CG TYR A 104 113.190 -18.016 1.674 1.00 0.00 C ATOM 1619 CD1 TYR A 104 112.000 -17.354 1.999 1.00 0.00 C ATOM 1620 CD2 TYR A 104 113.351 -18.583 0.404 1.00 0.00 C ATOM 1621 CE1 TYR A 104 110.971 -17.258 1.053 1.00 0.00 C ATOM 1622 CE2 TYR A 104 112.323 -18.487 -0.542 1.00 0.00 C ATOM 1623 CZ TYR A 104 111.133 -17.825 -0.216 1.00 0.00 C ATOM 1624 OH TYR A 104 110.119 -17.732 -1.148 1.00 0.00 O ATOM 0 H TYR A 104 113.615 -16.845 4.713 1.00 0.00 H new ATOM 0 HA TYR A 104 112.938 -19.452 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 104 114.681 -17.126 2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 104 115.132 -18.690 2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 104 111.875 -16.917 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 104 114.269 -19.095 0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 104 110.053 -16.747 1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 104 112.448 -18.923 -1.522 1.00 0.00 H new ATOM 0 HH TYR A 104 109.610 -16.908 -0.997 1.00 0.00 H new ATOM 1634 N GLY A 105 115.474 -19.103 5.655 1.00 0.00 N ATOM 1635 CA GLY A 105 116.545 -19.808 6.349 1.00 0.00 C ATOM 1636 C GLY A 105 117.861 -19.695 5.584 1.00 0.00 C ATOM 1637 O GLY A 105 118.692 -20.601 5.625 1.00 0.00 O ATOM 0 H GLY A 105 115.236 -18.194 6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 105 116.666 -19.396 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 105 116.278 -20.858 6.466 1.00 0.00 H new ATOM 1641 N ILE A 106 118.044 -18.577 4.888 1.00 0.00 N ATOM 1642 CA ILE A 106 119.262 -18.359 4.120 1.00 0.00 C ATOM 1643 C ILE A 106 120.484 -18.379 5.032 1.00 0.00 C ATOM 1644 O ILE A 106 120.934 -19.444 5.456 1.00 0.00 O ATOM 1645 CB ILE A 106 119.176 -17.019 3.398 1.00 0.00 C ATOM 1646 CG1 ILE A 106 117.836 -16.931 2.656 1.00 0.00 C ATOM 1647 CG2 ILE A 106 120.336 -16.905 2.409 1.00 0.00 C ATOM 1648 CD1 ILE A 106 118.013 -17.354 1.194 1.00 0.00 C ATOM 0 H ILE A 106 117.369 -17.814 4.841 1.00 0.00 H new ATOM 0 HA ILE A 106 119.364 -19.162 3.390 1.00 0.00 H new ATOM 0 HB ILE A 106 119.240 -16.202 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 106 117.100 -17.572 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 106 117.452 -15.912 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.279 -15.948 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 106 121.281 -16.970 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 106 120.276 -17.716 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 106 117.055 -17.288 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.733 -16.695 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 106 118.376 -18.381 1.154 1.00 0.00 H new ATOM 1660 N THR A 107 121.015 -17.199 5.334 1.00 0.00 N ATOM 1661 CA THR A 107 122.182 -17.102 6.202 1.00 0.00 C ATOM 1662 C THR A 107 123.428 -17.615 5.488 1.00 0.00 C ATOM 1663 O THR A 107 124.520 -17.629 6.057 1.00 0.00 O ATOM 1664 CB THR A 107 121.944 -17.913 7.475 1.00 0.00 C ATOM 1665 OG1 THR A 107 122.471 -19.222 7.307 1.00 0.00 O ATOM 1666 CG2 THR A 107 120.441 -17.994 7.749 1.00 0.00 C ATOM 0 H THR A 107 120.660 -16.305 4.994 1.00 0.00 H new ATOM 0 HA THR A 107 122.338 -16.055 6.461 1.00 0.00 H new ATOM 0 HB THR A 107 122.441 -17.430 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 107 121.930 -19.711 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 107 120.267 -18.572 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 107 120.040 -16.989 7.877 1.00 0.00 H new ATOM 0 HG23 THR A 107 119.944 -18.479 6.909 1.00 0.00 H new ATOM 1674 N GLY A 108 123.258 -18.031 4.237 1.00 0.00 N ATOM 1675 CA GLY A 108 124.377 -18.537 3.452 1.00 0.00 C ATOM 1676 C GLY A 108 124.976 -17.429 2.593 1.00 0.00 C ATOM 1677 O GLY A 108 125.719 -17.694 1.647 1.00 0.00 O ATOM 0 H GLY A 108 122.363 -18.028 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 108 125.140 -18.942 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 108 124.041 -19.356 2.816 1.00 0.00 H new ATOM 1681 N ILE A 109 124.645 -16.187 2.930 1.00 0.00 N ATOM 1682 CA ILE A 109 125.149 -15.040 2.188 1.00 0.00 C ATOM 1683 C ILE A 109 126.672 -15.104 2.074 1.00 0.00 C ATOM 1684 O ILE A 109 127.354 -15.493 3.022 1.00 0.00 O ATOM 1685 CB ILE A 109 124.739 -13.753 2.908 1.00 0.00 C ATOM 1686 CG1 ILE A 109 123.865 -14.110 4.113 1.00 0.00 C ATOM 1687 CG2 ILE A 109 123.949 -12.848 1.959 1.00 0.00 C ATOM 1688 CD1 ILE A 109 122.617 -14.862 3.642 1.00 0.00 C ATOM 0 H ILE A 109 124.032 -15.951 3.710 1.00 0.00 H new ATOM 0 HA ILE A 109 124.725 -15.052 1.184 1.00 0.00 H new ATOM 0 HB ILE A 109 125.634 -13.226 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 109 124.429 -14.725 4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 109 123.576 -13.204 4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 109 123.662 -11.935 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 109 124.568 -12.594 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 109 123.053 -13.369 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 109 121.998 -15.114 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 109 122.049 -14.231 2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 109 122.915 -15.776 3.129 1.00 0.00 H new ATOM 1700 N PRO A 110 127.213 -14.732 0.941 1.00 0.00 N ATOM 1701 CA PRO A 110 126.421 -14.254 -0.231 1.00 0.00 C ATOM 1702 C PRO A 110 125.714 -15.398 -0.953 1.00 0.00 C ATOM 1703 O PRO A 110 126.243 -16.506 -1.051 1.00 0.00 O ATOM 1704 CB PRO A 110 127.471 -13.608 -1.135 1.00 0.00 C ATOM 1705 CG PRO A 110 128.755 -14.295 -0.804 1.00 0.00 C ATOM 1706 CD PRO A 110 128.658 -14.731 0.659 1.00 0.00 C ATOM 0 HA PRO A 110 125.625 -13.571 0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 110 127.216 -13.736 -2.187 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.541 -12.536 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 110 128.912 -15.156 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 110 129.602 -13.625 -0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 110 129.094 -15.719 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 110 129.191 -14.044 1.316 1.00 0.00 H new ATOM 1714 N ALA A 111 124.514 -15.125 -1.457 1.00 0.00 N ATOM 1715 CA ALA A 111 123.747 -16.144 -2.165 1.00 0.00 C ATOM 1716 C ALA A 111 122.527 -15.530 -2.845 1.00 0.00 C ATOM 1717 O ALA A 111 122.031 -14.484 -2.427 1.00 0.00 O ATOM 1718 CB ALA A 111 123.293 -17.230 -1.187 1.00 0.00 C ATOM 0 H ALA A 111 124.056 -14.216 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 111 124.389 -16.584 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 111 122.721 -17.987 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 111 124.166 -17.693 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 111 122.668 -16.784 -0.413 1.00 0.00 H new ATOM 1724 N LEU A 112 122.051 -16.190 -3.896 1.00 0.00 N ATOM 1725 CA LEU A 112 120.889 -15.706 -4.631 1.00 0.00 C ATOM 1726 C LEU A 112 119.780 -16.752 -4.616 1.00 0.00 C ATOM 1727 O LEU A 112 120.009 -17.911 -4.957 1.00 0.00 O ATOM 1728 CB LEU A 112 121.287 -15.402 -6.077 1.00 0.00 C ATOM 1729 CG LEU A 112 120.352 -14.341 -6.657 1.00 0.00 C ATOM 1730 CD1 LEU A 112 120.883 -13.888 -8.018 1.00 0.00 C ATOM 1731 CD2 LEU A 112 118.953 -14.937 -6.830 1.00 0.00 C ATOM 0 H LEU A 112 122.450 -17.057 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 112 120.523 -14.797 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 112 122.318 -15.051 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 112 121.238 -16.311 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 112 120.303 -13.487 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 112 120.218 -13.131 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 112 121.881 -13.467 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 112 120.928 -14.742 -8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 112 118.284 -14.182 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 112 119.002 -15.789 -7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 112 118.575 -15.265 -5.862 1.00 0.00 H new ATOM 1743 N VAL A 113 118.577 -16.341 -4.221 1.00 0.00 N ATOM 1744 CA VAL A 113 117.449 -17.264 -4.172 1.00 0.00 C ATOM 1745 C VAL A 113 116.461 -16.956 -5.290 1.00 0.00 C ATOM 1746 O VAL A 113 116.138 -15.796 -5.547 1.00 0.00 O ATOM 1747 CB VAL A 113 116.747 -17.159 -2.818 1.00 0.00 C ATOM 1748 CG1 VAL A 113 115.289 -17.607 -2.946 1.00 0.00 C ATOM 1749 CG2 VAL A 113 117.466 -18.049 -1.799 1.00 0.00 C ATOM 0 H VAL A 113 118.361 -15.386 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 113 117.824 -18.279 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 113 116.773 -16.122 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 113 114.798 -17.528 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 113 114.775 -16.970 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 113 115.255 -18.642 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 113 116.966 -17.974 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 113 117.444 -19.084 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 113 118.501 -17.723 -1.697 1.00 0.00 H new ATOM 1759 N ILE A 114 115.989 -18.005 -5.954 1.00 0.00 N ATOM 1760 CA ILE A 114 115.041 -17.834 -7.046 1.00 0.00 C ATOM 1761 C ILE A 114 113.714 -18.517 -6.742 1.00 0.00 C ATOM 1762 O ILE A 114 113.668 -19.709 -6.447 1.00 0.00 O ATOM 1763 CB ILE A 114 115.624 -18.403 -8.341 1.00 0.00 C ATOM 1764 CG1 ILE A 114 117.049 -17.881 -8.527 1.00 0.00 C ATOM 1765 CG2 ILE A 114 114.763 -17.960 -9.526 1.00 0.00 C ATOM 1766 CD1 ILE A 114 117.022 -16.353 -8.592 1.00 0.00 C ATOM 0 H ILE A 114 116.244 -18.973 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 114 114.858 -16.766 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 114 115.637 -19.492 -8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 114 117.680 -18.210 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 114 117.481 -18.288 -9.441 1.00 0.00 H new ATOM 0 HG21 ILE A 114 115.178 -18.365 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 114 113.745 -18.327 -9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 114 114.752 -16.871 -9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 114 118.036 -15.976 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 114 116.404 -16.035 -9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 114 116.606 -15.957 -7.666 1.00 0.00 H new ATOM 1778 N VAL A 115 112.639 -17.744 -6.820 1.00 0.00 N ATOM 1779 CA VAL A 115 111.304 -18.268 -6.563 1.00 0.00 C ATOM 1780 C VAL A 115 110.325 -17.736 -7.603 1.00 0.00 C ATOM 1781 O VAL A 115 110.516 -16.647 -8.143 1.00 0.00 O ATOM 1782 CB VAL A 115 110.837 -17.865 -5.163 1.00 0.00 C ATOM 1783 CG1 VAL A 115 112.042 -17.785 -4.225 1.00 0.00 C ATOM 1784 CG2 VAL A 115 110.150 -16.500 -5.225 1.00 0.00 C ATOM 0 H VAL A 115 112.665 -16.753 -7.059 1.00 0.00 H new ATOM 0 HA VAL A 115 111.339 -19.356 -6.626 1.00 0.00 H new ATOM 0 HB VAL A 115 110.134 -18.609 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 115 111.708 -17.498 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 115 112.532 -18.758 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 115 112.746 -17.042 -4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 115 109.818 -16.214 -4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 115 110.852 -15.756 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 115 109.289 -16.556 -5.892 1.00 0.00 H new ATOM 1794 N LYS A 116 109.281 -18.507 -7.885 1.00 0.00 N ATOM 1795 CA LYS A 116 108.289 -18.094 -8.866 1.00 0.00 C ATOM 1796 C LYS A 116 107.381 -17.013 -8.292 1.00 0.00 C ATOM 1797 O LYS A 116 107.156 -16.955 -7.083 1.00 0.00 O ATOM 1798 CB LYS A 116 107.454 -19.303 -9.285 1.00 0.00 C ATOM 1799 CG LYS A 116 108.203 -20.079 -10.369 1.00 0.00 C ATOM 1800 CD LYS A 116 107.276 -21.128 -10.979 1.00 0.00 C ATOM 1801 CE LYS A 116 107.969 -21.794 -12.168 1.00 0.00 C ATOM 1802 NZ LYS A 116 107.124 -21.641 -13.386 1.00 0.00 N ATOM 0 H LYS A 116 109.102 -19.413 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 116 108.804 -17.685 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 116 107.266 -19.946 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 116 106.483 -18.978 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 116 108.555 -19.396 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 116 109.084 -20.560 -9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 116 107.015 -21.877 -10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 116 106.345 -20.662 -11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 116 108.947 -21.342 -12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 116 108.137 -22.851 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 107.595 -22.094 -14.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 106.200 -22.092 -13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 106.986 -20.630 -13.588 1.00 0.00 H new ATOM 1816 N LYS A 117 106.865 -16.155 -9.165 1.00 0.00 N ATOM 1817 CA LYS A 117 105.984 -15.076 -8.731 1.00 0.00 C ATOM 1818 C LYS A 117 104.958 -15.593 -7.729 1.00 0.00 C ATOM 1819 O LYS A 117 104.771 -15.008 -6.661 1.00 0.00 O ATOM 1820 CB LYS A 117 105.264 -14.471 -9.937 1.00 0.00 C ATOM 1821 CG LYS A 117 105.322 -12.945 -9.852 1.00 0.00 C ATOM 1822 CD LYS A 117 104.407 -12.462 -8.726 1.00 0.00 C ATOM 1823 CE LYS A 117 103.069 -12.009 -9.313 1.00 0.00 C ATOM 1824 NZ LYS A 117 102.310 -13.198 -9.795 1.00 0.00 N ATOM 0 H LYS A 117 107.039 -16.184 -10.170 1.00 0.00 H new ATOM 0 HA LYS A 117 106.590 -14.309 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 117 105.730 -14.812 -10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 117 104.227 -14.806 -9.960 1.00 0.00 H new ATOM 0 HG2 LYS A 117 106.346 -12.619 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 117 105.013 -12.505 -10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 117 104.247 -13.263 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 117 104.878 -11.639 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 117 102.490 -11.476 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 117 103.237 -11.314 -10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 101.302 -12.957 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 102.672 -13.487 -10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 102.426 -13.981 -9.120 1.00 0.00 H new ATOM 1838 N ASP A 118 104.295 -16.690 -8.077 1.00 0.00 N ATOM 1839 CA ASP A 118 103.291 -17.273 -7.195 1.00 0.00 C ATOM 1840 C ASP A 118 103.922 -17.686 -5.870 1.00 0.00 C ATOM 1841 O ASP A 118 103.223 -17.940 -4.890 1.00 0.00 O ATOM 1842 CB ASP A 118 102.654 -18.493 -7.863 1.00 0.00 C ATOM 1843 CG ASP A 118 101.288 -18.773 -7.244 1.00 0.00 C ATOM 1844 OD1 ASP A 118 101.254 -19.195 -6.100 1.00 0.00 O ATOM 1845 OD2 ASP A 118 100.298 -18.561 -7.924 1.00 0.00 O ATOM 0 H ASP A 118 104.433 -17.190 -8.955 1.00 0.00 H new ATOM 0 HA ASP A 118 102.523 -16.524 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 118 102.548 -18.318 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 118 103.301 -19.362 -7.745 1.00 0.00 H new ATOM 1850 N GLY A 119 105.250 -17.752 -5.850 1.00 0.00 N ATOM 1851 CA GLY A 119 105.968 -18.136 -4.641 1.00 0.00 C ATOM 1852 C GLY A 119 106.400 -19.595 -4.713 1.00 0.00 C ATOM 1853 O GLY A 119 106.508 -20.273 -3.692 1.00 0.00 O ATOM 0 H GLY A 119 105.846 -17.546 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 119 106.843 -17.498 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 119 105.332 -17.982 -3.770 1.00 0.00 H new ATOM 1857 N THR A 120 106.645 -20.071 -5.929 1.00 0.00 N ATOM 1858 CA THR A 120 107.062 -21.452 -6.127 1.00 0.00 C ATOM 1859 C THR A 120 108.583 -21.555 -6.189 1.00 0.00 C ATOM 1860 O THR A 120 109.231 -20.848 -6.960 1.00 0.00 O ATOM 1861 CB THR A 120 106.461 -21.998 -7.422 1.00 0.00 C ATOM 1862 OG1 THR A 120 105.468 -21.100 -7.897 1.00 0.00 O ATOM 1863 CG2 THR A 120 105.831 -23.367 -7.161 1.00 0.00 C ATOM 0 H THR A 120 106.562 -19.524 -6.786 1.00 0.00 H new ATOM 0 HA THR A 120 106.705 -22.041 -5.282 1.00 0.00 H new ATOM 0 HB THR A 120 107.247 -22.101 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 120 105.083 -21.448 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 120 105.404 -23.753 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 120 106.594 -24.056 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 120 105.046 -23.269 -6.412 1.00 0.00 H new ATOM 1871 N LEU A 121 109.144 -22.445 -5.378 1.00 0.00 N ATOM 1872 CA LEU A 121 110.590 -22.636 -5.353 1.00 0.00 C ATOM 1873 C LEU A 121 111.056 -23.305 -6.638 1.00 0.00 C ATOM 1874 O LEU A 121 110.366 -24.158 -7.196 1.00 0.00 O ATOM 1875 CB LEU A 121 110.985 -23.495 -4.148 1.00 0.00 C ATOM 1876 CG LEU A 121 112.360 -23.067 -3.630 1.00 0.00 C ATOM 1877 CD1 LEU A 121 113.414 -23.305 -4.714 1.00 0.00 C ATOM 1878 CD2 LEU A 121 112.333 -21.580 -3.265 1.00 0.00 C ATOM 0 H LEU A 121 108.625 -23.041 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 121 111.069 -21.661 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 121 110.241 -23.392 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 121 111.005 -24.547 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 121 112.609 -23.653 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.393 -23.000 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.438 -24.364 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 121 113.163 -22.721 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 121 113.313 -21.278 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 121 112.081 -20.993 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 121 111.586 -21.409 -2.490 1.00 0.00 H new ATOM 1890 N ILE A 122 112.226 -22.896 -7.107 1.00 0.00 N ATOM 1891 CA ILE A 122 112.783 -23.441 -8.335 1.00 0.00 C ATOM 1892 C ILE A 122 114.250 -23.792 -8.144 1.00 0.00 C ATOM 1893 O ILE A 122 114.640 -24.957 -8.210 1.00 0.00 O ATOM 1894 CB ILE A 122 112.653 -22.394 -9.436 1.00 0.00 C ATOM 1895 CG1 ILE A 122 113.442 -22.835 -10.667 1.00 0.00 C ATOM 1896 CG2 ILE A 122 113.204 -21.062 -8.928 1.00 0.00 C ATOM 1897 CD1 ILE A 122 112.587 -22.611 -11.914 1.00 0.00 C ATOM 0 H ILE A 122 112.807 -22.189 -6.656 1.00 0.00 H new ATOM 0 HA ILE A 122 112.241 -24.347 -8.606 1.00 0.00 H new ATOM 0 HB ILE A 122 111.603 -22.281 -9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 122 114.371 -22.269 -10.741 1.00 0.00 H new ATOM 0 HG13 ILE A 122 113.715 -23.887 -10.582 1.00 0.00 H new ATOM 0 HG21 ILE A 122 113.114 -20.309 -9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 122 112.638 -20.745 -8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 122 114.253 -21.181 -8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 122 113.143 -22.924 -12.798 1.00 0.00 H new ATOM 0 HD12 ILE A 122 111.670 -23.196 -11.837 1.00 0.00 H new ATOM 0 HD13 ILE A 122 112.336 -21.554 -11.998 1.00 0.00 H new ATOM 1909 N SER A 123 115.052 -22.767 -7.903 1.00 0.00 N ATOM 1910 CA SER A 123 116.484 -22.953 -7.695 1.00 0.00 C ATOM 1911 C SER A 123 116.993 -22.019 -6.602 1.00 0.00 C ATOM 1912 O SER A 123 116.719 -20.818 -6.622 1.00 0.00 O ATOM 1913 CB SER A 123 117.241 -22.679 -8.996 1.00 0.00 C ATOM 1914 OG SER A 123 117.532 -23.913 -9.638 1.00 0.00 O ATOM 0 H SER A 123 114.739 -21.798 -7.846 1.00 0.00 H new ATOM 0 HA SER A 123 116.656 -23.984 -7.385 1.00 0.00 H new ATOM 0 HB2 SER A 123 116.643 -22.047 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 123 118.164 -22.138 -8.786 1.00 0.00 H new ATOM 0 HG SER A 123 118.357 -23.824 -10.159 1.00 0.00 H new ATOM 1920 N MET A 124 117.732 -22.575 -5.648 1.00 0.00 N ATOM 1921 CA MET A 124 118.272 -21.779 -4.550 1.00 0.00 C ATOM 1922 C MET A 124 119.659 -21.251 -4.901 1.00 0.00 C ATOM 1923 O MET A 124 119.864 -20.043 -4.999 1.00 0.00 O ATOM 1924 CB MET A 124 118.349 -22.626 -3.278 1.00 0.00 C ATOM 1925 CG MET A 124 117.430 -22.031 -2.208 1.00 0.00 C ATOM 1926 SD MET A 124 115.701 -22.194 -2.733 1.00 0.00 S ATOM 1927 CE MET A 124 115.468 -20.512 -3.367 1.00 0.00 C ATOM 0 H MET A 124 117.970 -23.566 -5.612 1.00 0.00 H new ATOM 0 HA MET A 124 117.608 -20.932 -4.380 1.00 0.00 H new ATOM 0 HB2 MET A 124 118.054 -23.653 -3.494 1.00 0.00 H new ATOM 0 HB3 MET A 124 119.375 -22.659 -2.913 1.00 0.00 H new ATOM 0 HG2 MET A 124 117.582 -22.543 -1.258 1.00 0.00 H new ATOM 0 HG3 MET A 124 117.674 -20.981 -2.047 1.00 0.00 H new ATOM 0 HE1 MET A 124 114.791 -20.536 -4.221 1.00 0.00 H new ATOM 0 HE2 MET A 124 115.043 -19.884 -2.584 1.00 0.00 H new ATOM 0 HE3 MET A 124 116.430 -20.104 -3.678 1.00 0.00 H new ATOM 1937 N ASN A 125 120.605 -22.162 -5.095 1.00 0.00 N ATOM 1938 CA ASN A 125 121.965 -21.772 -5.441 1.00 0.00 C ATOM 1939 C ASN A 125 121.986 -21.134 -6.823 1.00 0.00 C ATOM 1940 O ASN A 125 122.918 -21.339 -7.600 1.00 0.00 O ATOM 1941 CB ASN A 125 122.879 -22.999 -5.428 1.00 0.00 C ATOM 1942 CG ASN A 125 124.171 -22.682 -4.680 1.00 0.00 C ATOM 1943 OD1 ASN A 125 125.150 -22.091 -5.309 1.00 0.00 O flip ATOM 1944 ND2 ASN A 125 124.290 -22.980 -3.492 1.00 0.00 N flip ATOM 0 H ASN A 125 120.457 -23.168 -5.019 1.00 0.00 H new ATOM 0 HA ASN A 125 122.323 -21.050 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 125 122.370 -23.837 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 125 123.106 -23.304 -6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 125 123.523 -23.442 -3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 125 125.155 -22.765 -2.997 1.00 0.00 H new ATOM 1951 N GLY A 126 120.947 -20.363 -7.124 1.00 0.00 N ATOM 1952 CA GLY A 126 120.851 -19.703 -8.416 1.00 0.00 C ATOM 1953 C GLY A 126 122.215 -19.208 -8.872 1.00 0.00 C ATOM 1954 O GLY A 126 122.445 -19.011 -10.064 1.00 0.00 O ATOM 0 H GLY A 126 120.165 -20.182 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 126 120.445 -20.395 -9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 126 120.158 -18.864 -8.350 1.00 0.00 H new ATOM 1958 N ARG A 127 123.115 -18.989 -7.918 1.00 0.00 N ATOM 1959 CA ARG A 127 124.445 -18.496 -8.257 1.00 0.00 C ATOM 1960 C ARG A 127 125.091 -19.368 -9.323 1.00 0.00 C ATOM 1961 O ARG A 127 124.945 -19.100 -10.516 1.00 0.00 O ATOM 1962 CB ARG A 127 125.337 -18.446 -7.012 1.00 0.00 C ATOM 1963 CG ARG A 127 124.784 -19.386 -5.939 1.00 0.00 C ATOM 1964 CD ARG A 127 125.890 -19.720 -4.936 1.00 0.00 C ATOM 1965 NE ARG A 127 126.546 -18.500 -4.483 1.00 0.00 N ATOM 1966 CZ ARG A 127 127.089 -18.419 -3.272 1.00 0.00 C ATOM 1967 NH1 ARG A 127 127.040 -19.445 -2.467 1.00 0.00 N ATOM 1968 NH2 ARG A 127 127.670 -17.316 -2.889 1.00 0.00 N ATOM 0 H ARG A 127 122.953 -19.142 -6.923 1.00 0.00 H new ATOM 0 HA ARG A 127 124.336 -17.486 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 127 126.355 -18.735 -7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 127 125.383 -17.427 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 127 123.944 -18.917 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 127 124.407 -20.299 -6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 127 125.469 -20.253 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 127 126.621 -20.384 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 127 126.589 -17.694 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 127 126.586 -20.307 -2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 127 127.456 -19.384 -1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 127 127.708 -16.514 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 127 128.086 -17.255 -1.960 1.00 0.00 H new ATOM 1982 N GLY A 128 125.817 -20.399 -8.909 1.00 0.00 N ATOM 1983 CA GLY A 128 126.481 -21.272 -9.869 1.00 0.00 C ATOM 1984 C GLY A 128 125.563 -21.585 -11.039 1.00 0.00 C ATOM 1985 O GLY A 128 126.025 -21.821 -12.155 1.00 0.00 O ATOM 0 H GLY A 128 125.960 -20.649 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 128 127.391 -20.795 -10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 128 126.781 -22.198 -9.378 1.00 0.00 H new ATOM 1989 N GLU A 129 124.262 -21.585 -10.782 1.00 0.00 N ATOM 1990 CA GLU A 129 123.297 -21.868 -11.833 1.00 0.00 C ATOM 1991 C GLU A 129 123.409 -20.830 -12.938 1.00 0.00 C ATOM 1992 O GLU A 129 123.546 -21.173 -14.112 1.00 0.00 O ATOM 1993 CB GLU A 129 121.878 -21.873 -11.267 1.00 0.00 C ATOM 1994 CG GLU A 129 121.786 -22.887 -10.126 1.00 0.00 C ATOM 1995 CD GLU A 129 120.369 -22.912 -9.562 1.00 0.00 C ATOM 1996 OE1 GLU A 129 119.442 -23.020 -10.348 1.00 0.00 O ATOM 1997 OE2 GLU A 129 120.231 -22.821 -8.353 1.00 0.00 O ATOM 0 H GLU A 129 123.855 -21.395 -9.866 1.00 0.00 H new ATOM 0 HA GLU A 129 123.513 -22.853 -12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 129 121.616 -20.879 -10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 129 121.164 -22.126 -12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 129 122.060 -23.878 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 129 122.495 -22.627 -9.340 1.00 0.00 H new ATOM 2004 N VAL A 130 123.358 -19.560 -12.559 1.00 0.00 N ATOM 2005 CA VAL A 130 123.466 -18.490 -13.540 1.00 0.00 C ATOM 2006 C VAL A 130 124.874 -18.448 -14.109 1.00 0.00 C ATOM 2007 O VAL A 130 125.065 -18.370 -15.322 1.00 0.00 O ATOM 2008 CB VAL A 130 123.127 -17.147 -12.894 1.00 0.00 C ATOM 2009 CG1 VAL A 130 123.377 -16.020 -13.896 1.00 0.00 C ATOM 2010 CG2 VAL A 130 121.654 -17.142 -12.484 1.00 0.00 C ATOM 0 H VAL A 130 123.244 -19.249 -11.594 1.00 0.00 H new ATOM 0 HA VAL A 130 122.760 -18.682 -14.348 1.00 0.00 H new ATOM 0 HB VAL A 130 123.754 -16.997 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 130 123.135 -15.063 -13.435 1.00 0.00 H new ATOM 0 HG12 VAL A 130 124.425 -16.024 -14.194 1.00 0.00 H new ATOM 0 HG13 VAL A 130 122.749 -16.168 -14.775 1.00 0.00 H new ATOM 0 HG21 VAL A 130 121.408 -16.186 -12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 130 121.030 -17.291 -13.366 1.00 0.00 H new ATOM 0 HG23 VAL A 130 121.472 -17.946 -11.771 1.00 0.00 H new ATOM 2020 N GLN A 131 125.859 -18.508 -13.224 1.00 0.00 N ATOM 2021 CA GLN A 131 127.250 -18.484 -13.647 1.00 0.00 C ATOM 2022 C GLN A 131 127.565 -19.719 -14.481 1.00 0.00 C ATOM 2023 O GLN A 131 128.469 -19.703 -15.317 1.00 0.00 O ATOM 2024 CB GLN A 131 128.170 -18.438 -12.424 1.00 0.00 C ATOM 2025 CG GLN A 131 127.684 -17.355 -11.461 1.00 0.00 C ATOM 2026 CD GLN A 131 128.871 -16.735 -10.732 1.00 0.00 C ATOM 2027 OE1 GLN A 131 128.856 -15.544 -10.418 1.00 0.00 O ATOM 2028 NE2 GLN A 131 129.906 -17.475 -10.442 1.00 0.00 N ATOM 0 H GLN A 131 125.721 -18.573 -12.215 1.00 0.00 H new ATOM 0 HA GLN A 131 127.416 -17.593 -14.253 1.00 0.00 H new ATOM 0 HB2 GLN A 131 128.178 -19.407 -11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 131 129.194 -18.231 -12.734 1.00 0.00 H new ATOM 0 HG2 GLN A 131 127.141 -16.585 -12.010 1.00 0.00 H new ATOM 0 HG3 GLN A 131 126.987 -17.783 -10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 131 129.917 -18.461 -10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 131 130.704 -17.067 -9.955 1.00 0.00 H new ATOM 2037 N SER A 132 126.811 -20.791 -14.250 1.00 0.00 N ATOM 2038 CA SER A 132 127.020 -22.029 -14.989 1.00 0.00 C ATOM 2039 C SER A 132 126.431 -21.919 -16.391 1.00 0.00 C ATOM 2040 O SER A 132 127.114 -22.173 -17.384 1.00 0.00 O ATOM 2041 CB SER A 132 126.367 -23.196 -14.250 1.00 0.00 C ATOM 2042 OG SER A 132 127.131 -23.504 -13.091 1.00 0.00 O ATOM 0 H SER A 132 126.057 -20.826 -13.564 1.00 0.00 H new ATOM 0 HA SER A 132 128.093 -22.206 -15.069 1.00 0.00 H new ATOM 0 HB2 SER A 132 125.346 -22.938 -13.969 1.00 0.00 H new ATOM 0 HB3 SER A 132 126.307 -24.067 -14.903 1.00 0.00 H new ATOM 0 HG SER A 132 127.101 -22.748 -12.469 1.00 0.00 H new ATOM 2048 N LEU A 133 125.156 -21.548 -16.466 1.00 0.00 N ATOM 2049 CA LEU A 133 124.486 -21.419 -17.749 1.00 0.00 C ATOM 2050 C LEU A 133 124.411 -19.961 -18.192 1.00 0.00 C ATOM 2051 O LEU A 133 123.775 -19.648 -19.196 1.00 0.00 O ATOM 2052 CB LEU A 133 123.070 -21.984 -17.650 1.00 0.00 C ATOM 2053 CG LEU A 133 123.063 -23.428 -18.143 1.00 0.00 C ATOM 2054 CD1 LEU A 133 121.659 -24.010 -17.980 1.00 0.00 C ATOM 2055 CD2 LEU A 133 123.465 -23.459 -19.618 1.00 0.00 C ATOM 0 H LEU A 133 124.572 -21.333 -15.657 1.00 0.00 H new ATOM 0 HA LEU A 133 125.064 -21.977 -18.486 1.00 0.00 H new ATOM 0 HB2 LEU A 133 122.720 -21.939 -16.619 1.00 0.00 H new ATOM 0 HB3 LEU A 133 122.384 -21.382 -18.246 1.00 0.00 H new ATOM 0 HG LEU A 133 123.770 -24.020 -17.562 1.00 0.00 H new ATOM 0 HD11 LEU A 133 121.650 -25.042 -18.331 1.00 0.00 H new ATOM 0 HD12 LEU A 133 121.373 -23.982 -16.928 1.00 0.00 H new ATOM 0 HD13 LEU A 133 120.951 -23.422 -18.564 1.00 0.00 H new ATOM 0 HD21 LEU A 133 123.461 -24.489 -19.975 1.00 0.00 H new ATOM 0 HD22 LEU A 133 122.756 -22.871 -20.201 1.00 0.00 H new ATOM 0 HD23 LEU A 133 124.465 -23.039 -19.732 1.00 0.00 H new ATOM 2067 N GLY A 134 125.049 -19.071 -17.441 1.00 0.00 N ATOM 2068 CA GLY A 134 125.019 -17.657 -17.794 1.00 0.00 C ATOM 2069 C GLY A 134 123.575 -17.178 -17.908 1.00 0.00 C ATOM 2070 O GLY A 134 122.702 -17.649 -17.181 1.00 0.00 O ATOM 0 H GLY A 134 125.583 -19.296 -16.601 1.00 0.00 H new ATOM 0 HA2 GLY A 134 125.546 -17.074 -17.039 1.00 0.00 H new ATOM 0 HA3 GLY A 134 125.539 -17.498 -18.739 1.00 0.00 H new ATOM 2074 N PRO A 135 123.304 -16.262 -18.802 1.00 0.00 N ATOM 2075 CA PRO A 135 121.925 -15.732 -19.000 1.00 0.00 C ATOM 2076 C PRO A 135 120.978 -16.811 -19.518 1.00 0.00 C ATOM 2077 O PRO A 135 119.757 -16.660 -19.462 1.00 0.00 O ATOM 2078 CB PRO A 135 122.092 -14.608 -20.026 1.00 0.00 C ATOM 2079 CG PRO A 135 123.403 -14.856 -20.699 1.00 0.00 C ATOM 2080 CD PRO A 135 124.272 -15.641 -19.717 1.00 0.00 C ATOM 0 HA PRO A 135 121.484 -15.382 -18.066 1.00 0.00 H new ATOM 0 HB2 PRO A 135 121.275 -14.614 -20.748 1.00 0.00 H new ATOM 0 HB3 PRO A 135 122.081 -13.632 -19.541 1.00 0.00 H new ATOM 0 HG2 PRO A 135 123.262 -15.418 -21.622 1.00 0.00 H new ATOM 0 HG3 PRO A 135 123.881 -13.915 -20.969 1.00 0.00 H new ATOM 0 HD2 PRO A 135 124.875 -16.391 -20.229 1.00 0.00 H new ATOM 0 HD3 PRO A 135 124.962 -14.987 -19.184 1.00 0.00 H new ATOM 2088 N ARG A 136 121.553 -17.904 -20.010 1.00 0.00 N ATOM 2089 CA ARG A 136 120.758 -19.013 -20.525 1.00 0.00 C ATOM 2090 C ARG A 136 120.216 -19.833 -19.367 1.00 0.00 C ATOM 2091 O ARG A 136 119.400 -20.737 -19.552 1.00 0.00 O ATOM 2092 CB ARG A 136 121.615 -19.897 -21.430 1.00 0.00 C ATOM 2093 CG ARG A 136 122.808 -19.092 -21.943 1.00 0.00 C ATOM 2094 CD ARG A 136 123.191 -19.577 -23.342 1.00 0.00 C ATOM 2095 NE ARG A 136 123.181 -21.034 -23.390 1.00 0.00 N ATOM 2096 CZ ARG A 136 123.216 -21.684 -24.549 1.00 0.00 C ATOM 2097 NH1 ARG A 136 123.261 -21.016 -25.670 1.00 0.00 N ATOM 2098 NH2 ARG A 136 123.206 -22.989 -24.566 1.00 0.00 N ATOM 0 H ARG A 136 122.562 -18.045 -20.063 1.00 0.00 H new ATOM 0 HA ARG A 136 119.926 -18.615 -21.106 1.00 0.00 H new ATOM 0 HB2 ARG A 136 121.962 -20.772 -20.880 1.00 0.00 H new ATOM 0 HB3 ARG A 136 121.021 -20.262 -22.268 1.00 0.00 H new ATOM 0 HG2 ARG A 136 122.559 -18.031 -21.970 1.00 0.00 H new ATOM 0 HG3 ARG A 136 123.654 -19.203 -21.264 1.00 0.00 H new ATOM 0 HD2 ARG A 136 122.493 -19.177 -24.077 1.00 0.00 H new ATOM 0 HD3 ARG A 136 124.181 -19.204 -23.606 1.00 0.00 H new ATOM 0 HE ARG A 136 123.147 -21.564 -22.519 1.00 0.00 H new ATOM 0 HH11 ARG A 136 123.269 -19.996 -25.656 1.00 0.00 H new ATOM 0 HH12 ARG A 136 123.288 -21.514 -26.560 1.00 0.00 H new ATOM 0 HH21 ARG A 136 123.171 -23.510 -23.690 1.00 0.00 H new ATOM 0 HH22 ARG A 136 123.233 -23.488 -25.455 1.00 0.00 H new ATOM 2112 N ALA A 137 120.669 -19.494 -18.165 1.00 0.00 N ATOM 2113 CA ALA A 137 120.216 -20.189 -16.968 1.00 0.00 C ATOM 2114 C ALA A 137 118.717 -19.984 -16.792 1.00 0.00 C ATOM 2115 O ALA A 137 118.030 -20.810 -16.192 1.00 0.00 O ATOM 2116 CB ALA A 137 120.957 -19.659 -15.739 1.00 0.00 C ATOM 0 H ALA A 137 121.344 -18.748 -17.995 1.00 0.00 H new ATOM 0 HA ALA A 137 120.426 -21.253 -17.076 1.00 0.00 H new ATOM 0 HB1 ALA A 137 120.610 -20.186 -14.850 1.00 0.00 H new ATOM 0 HB2 ALA A 137 122.028 -19.821 -15.862 1.00 0.00 H new ATOM 0 HB3 ALA A 137 120.761 -18.592 -15.628 1.00 0.00 H new ATOM 2122 N PHE A 138 118.217 -18.874 -17.330 1.00 0.00 N ATOM 2123 CA PHE A 138 116.798 -18.568 -17.238 1.00 0.00 C ATOM 2124 C PHE A 138 115.985 -19.850 -17.349 1.00 0.00 C ATOM 2125 O PHE A 138 114.847 -19.923 -16.885 1.00 0.00 O ATOM 2126 CB PHE A 138 116.393 -17.603 -18.354 1.00 0.00 C ATOM 2127 CG PHE A 138 114.887 -17.518 -18.426 1.00 0.00 C ATOM 2128 CD1 PHE A 138 114.174 -16.875 -17.406 1.00 0.00 C ATOM 2129 CD2 PHE A 138 114.206 -18.079 -19.512 1.00 0.00 C ATOM 2130 CE1 PHE A 138 112.777 -16.796 -17.473 1.00 0.00 C ATOM 2131 CE2 PHE A 138 112.809 -17.999 -19.579 1.00 0.00 C ATOM 2132 CZ PHE A 138 112.095 -17.358 -18.560 1.00 0.00 C ATOM 0 H PHE A 138 118.771 -18.179 -17.830 1.00 0.00 H new ATOM 0 HA PHE A 138 116.601 -18.098 -16.274 1.00 0.00 H new ATOM 0 HB2 PHE A 138 116.815 -16.616 -18.166 1.00 0.00 H new ATOM 0 HB3 PHE A 138 116.794 -17.945 -19.308 1.00 0.00 H new ATOM 0 HD1 PHE A 138 114.701 -16.441 -16.569 1.00 0.00 H new ATOM 0 HD2 PHE A 138 114.757 -18.573 -20.298 1.00 0.00 H new ATOM 0 HE1 PHE A 138 112.226 -16.302 -16.687 1.00 0.00 H new ATOM 0 HE2 PHE A 138 112.283 -18.432 -20.417 1.00 0.00 H new ATOM 0 HZ PHE A 138 111.018 -17.297 -18.612 1.00 0.00 H new ATOM 2142 N GLN A 139 116.589 -20.866 -17.958 1.00 0.00 N ATOM 2143 CA GLN A 139 115.926 -22.152 -18.117 1.00 0.00 C ATOM 2144 C GLN A 139 115.865 -22.870 -16.777 1.00 0.00 C ATOM 2145 O GLN A 139 114.805 -23.327 -16.353 1.00 0.00 O ATOM 2146 CB GLN A 139 116.682 -23.009 -19.134 1.00 0.00 C ATOM 2147 CG GLN A 139 116.388 -22.505 -20.549 1.00 0.00 C ATOM 2148 CD GLN A 139 115.916 -23.660 -21.425 1.00 0.00 C ATOM 2149 OE1 GLN A 139 114.859 -23.575 -22.051 1.00 0.00 O ATOM 2150 NE2 GLN A 139 116.641 -24.742 -21.509 1.00 0.00 N ATOM 0 H GLN A 139 117.531 -20.823 -18.347 1.00 0.00 H new ATOM 0 HA GLN A 139 114.912 -21.986 -18.480 1.00 0.00 H new ATOM 0 HB2 GLN A 139 117.753 -22.965 -18.937 1.00 0.00 H new ATOM 0 HB3 GLN A 139 116.383 -24.053 -19.039 1.00 0.00 H new ATOM 0 HG2 GLN A 139 115.625 -21.727 -20.516 1.00 0.00 H new ATOM 0 HG3 GLN A 139 117.284 -22.055 -20.977 1.00 0.00 H new ATOM 0 HE21 GLN A 139 117.516 -24.811 -20.990 1.00 0.00 H new ATOM 0 HE22 GLN A 139 116.332 -25.519 -22.094 1.00 0.00 H new ATOM 2159 N ASN A 140 117.008 -22.946 -16.107 1.00 0.00 N ATOM 2160 CA ASN A 140 117.070 -23.587 -14.801 1.00 0.00 C ATOM 2161 C ASN A 140 116.337 -22.725 -13.784 1.00 0.00 C ATOM 2162 O ASN A 140 115.570 -23.224 -12.960 1.00 0.00 O ATOM 2163 CB ASN A 140 118.527 -23.773 -14.372 1.00 0.00 C ATOM 2164 CG ASN A 140 119.296 -24.529 -15.450 1.00 0.00 C ATOM 2165 OD1 ASN A 140 119.187 -24.207 -16.634 1.00 0.00 O ATOM 2166 ND2 ASN A 140 120.070 -25.523 -15.110 1.00 0.00 N ATOM 0 H ASN A 140 117.897 -22.575 -16.443 1.00 0.00 H new ATOM 0 HA ASN A 140 116.596 -24.567 -14.858 1.00 0.00 H new ATOM 0 HB2 ASN A 140 118.990 -22.802 -14.197 1.00 0.00 H new ATOM 0 HB3 ASN A 140 118.570 -24.321 -13.431 1.00 0.00 H new ATOM 0 HD21 ASN A 140 120.586 -26.035 -15.825 1.00 0.00 H new ATOM 0 HD22 ASN A 140 120.159 -25.788 -14.129 1.00 0.00 H new ATOM 2173 N TRP A 141 116.572 -21.420 -13.866 1.00 0.00 N ATOM 2174 CA TRP A 141 115.925 -20.472 -12.970 1.00 0.00 C ATOM 2175 C TRP A 141 114.413 -20.527 -13.165 1.00 0.00 C ATOM 2176 O TRP A 141 113.647 -20.216 -12.253 1.00 0.00 O ATOM 2177 CB TRP A 141 116.418 -19.055 -13.268 1.00 0.00 C ATOM 2178 CG TRP A 141 117.570 -18.708 -12.378 1.00 0.00 C ATOM 2179 CD1 TRP A 141 118.432 -19.594 -11.827 1.00 0.00 C ATOM 2180 CD2 TRP A 141 118.003 -17.390 -11.936 1.00 0.00 C ATOM 2181 NE1 TRP A 141 119.359 -18.903 -11.067 1.00 0.00 N ATOM 2182 CE2 TRP A 141 119.137 -17.542 -11.105 1.00 0.00 C ATOM 2183 CE3 TRP A 141 117.524 -16.089 -12.172 1.00 0.00 C ATOM 2184 CZ2 TRP A 141 119.774 -16.444 -10.528 1.00 0.00 C ATOM 2185 CZ3 TRP A 141 118.163 -14.982 -11.595 1.00 0.00 C ATOM 2186 CH2 TRP A 141 119.286 -15.158 -10.774 1.00 0.00 C ATOM 0 H TRP A 141 117.205 -20.996 -14.544 1.00 0.00 H new ATOM 0 HA TRP A 141 116.171 -20.734 -11.941 1.00 0.00 H new ATOM 0 HB2 TRP A 141 116.721 -18.980 -14.312 1.00 0.00 H new ATOM 0 HB3 TRP A 141 115.607 -18.342 -13.120 1.00 0.00 H new ATOM 0 HD1 TRP A 141 118.401 -20.665 -11.959 1.00 0.00 H new ATOM 0 HE1 TRP A 141 120.114 -19.346 -10.543 1.00 0.00 H new ATOM 0 HE3 TRP A 141 116.659 -15.942 -12.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 120.638 -16.586 -9.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 117.788 -13.987 -11.784 1.00 0.00 H new ATOM 0 HH2 TRP A 141 119.773 -14.301 -10.333 1.00 0.00 H new ATOM 2197 N ALA A 142 113.994 -20.920 -14.366 1.00 0.00 N ATOM 2198 CA ALA A 142 112.573 -21.010 -14.682 1.00 0.00 C ATOM 2199 C ALA A 142 112.193 -22.436 -15.044 1.00 0.00 C ATOM 2200 O ALA A 142 111.071 -22.709 -15.469 1.00 0.00 O ATOM 2201 CB ALA A 142 112.228 -20.070 -15.838 1.00 0.00 C ATOM 0 H ALA A 142 114.616 -21.180 -15.132 1.00 0.00 H new ATOM 0 HA ALA A 142 112.007 -20.712 -13.799 1.00 0.00 H new ATOM 0 HB1 ALA A 142 111.164 -20.147 -16.064 1.00 0.00 H new ATOM 0 HB2 ALA A 142 112.466 -19.044 -15.556 1.00 0.00 H new ATOM 0 HB3 ALA A 142 112.807 -20.348 -16.718 1.00 0.00 H new ATOM 2207 N ARG A 143 113.143 -23.333 -14.872 1.00 0.00 N ATOM 2208 CA ARG A 143 112.928 -24.741 -15.179 1.00 0.00 C ATOM 2209 C ARG A 143 112.018 -24.892 -16.394 1.00 0.00 C ATOM 2210 O ARG A 143 110.824 -25.051 -16.201 1.00 0.00 O ATOM 2211 CB ARG A 143 112.297 -25.446 -13.977 1.00 0.00 C ATOM 2212 CG ARG A 143 113.349 -25.633 -12.882 1.00 0.00 C ATOM 2213 CD ARG A 143 114.350 -26.706 -13.313 1.00 0.00 C ATOM 2214 NE ARG A 143 114.502 -27.705 -12.261 1.00 0.00 N ATOM 2215 CZ ARG A 143 115.430 -27.575 -11.318 1.00 0.00 C ATOM 2216 NH1 ARG A 143 116.225 -26.540 -11.324 1.00 0.00 N ATOM 2217 NH2 ARG A 143 115.547 -28.482 -10.388 1.00 0.00 N ATOM 2218 OXT ARG A 143 112.530 -24.846 -17.501 1.00 0.00 O ATOM 0 H ARG A 143 114.075 -23.115 -14.520 1.00 0.00 H new ATOM 0 HA ARG A 143 113.893 -25.196 -15.403 1.00 0.00 H new ATOM 0 HB2 ARG A 143 111.461 -24.859 -13.596 1.00 0.00 H new ATOM 0 HB3 ARG A 143 111.896 -26.413 -14.279 1.00 0.00 H new ATOM 0 HG2 ARG A 143 113.866 -24.692 -12.696 1.00 0.00 H new ATOM 0 HG3 ARG A 143 112.869 -25.923 -11.947 1.00 0.00 H new ATOM 0 HD2 ARG A 143 114.009 -27.184 -14.232 1.00 0.00 H new ATOM 0 HD3 ARG A 143 115.314 -26.247 -13.531 1.00 0.00 H new ATOM 0 HE ARG A 143 113.885 -28.518 -12.249 1.00 0.00 H new ATOM 0 HH11 ARG A 143 116.134 -25.831 -12.052 1.00 0.00 H new ATOM 0 HH12 ARG A 143 116.937 -26.440 -10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 143 114.926 -29.291 -10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 143 116.259 -28.382 -9.665 1.00 0.00 H new TER 2232 ARG A 143