USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 969 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 101 TYR OH : rot 94:sc= 0.0183 USER MOD Set 1.2: A 105 GLN : amide:sc= 0.014 X(o=0.032,f=-0.0044) USER MOD Set 2.1: A 39 MET CE :methyl -162:sc= -0.0231 (180deg=-0.404) USER MOD Set 2.2: A 55 TYR OH : rot -61:sc= 0.244 USER MOD Set 3.1: A 29 GLN :FLIP amide:sc= 1.2 F(o=-0.65,f=1.8) USER MOD Set 3.2: A 30 ASN : amide:sc= 0.418 K(o=1.8,f=-1.2) USER MOD Set 3.3: A 34 SER OG : rot -70:sc= 0.151 USER MOD Set 4.1: A 23 TYR OH : rot 110:sc= -0.97 USER MOD Set 4.2: A 46 HIS :FLIP no HE2:sc= -1.37 F(o=-4.7!,f=-3.4) USER MOD Set 4.3: A 47 ASN : amide:sc= -1.08 X(o=-3.4,f=-3.4) USER MOD Set 5.1: A 9 LYS NZ :NH3+ -138:sc= 0.161 (180deg=0) USER MOD Set 5.2: A 10 GLN : amide:sc= -0.529 X(o=-0.37,f=-0.69) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0715 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.336! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 80:sc= -0.167 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 91:sc= 1.16 USER MOD Single : A 25 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 64:sc= -1.19 USER MOD Single : A 57 GLN : amide:sc= -0.962 X(o=-0.96,f=-0.65) USER MOD Single : A 59 SER OG : rot 16:sc= 0.00908 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.46) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 66 ASN :FLIP amide:sc= -4.25! C(o=-5.7!,f=-4.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -164:sc= 1.51 USER MOD Single : A 76 THR OG1 : rot -170:sc= -0.8 USER MOD Single : A 77 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-7.4!) USER MOD Single : A 80 CYS SG : rot 180:sc= -0.414 USER MOD Single : A 82 GLN : amide:sc= 0.62 K(o=0.62,f=-5.6!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 89 MET CE :methyl -166:sc= -5.46! (180deg=-7.31!) USER MOD Single : A 98 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 83:sc= 0.0284 USER MOD Single : A 103 TYR OH : rot 59:sc= 0.196 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -148:sc= -1.99 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 114 LYS NZ :NH3+ -149:sc= 0.551 (180deg=-2.15!) USER MOD Single : A 118 LYS NZ :NH3+ 151:sc= -0.0551 (180deg=-0.957) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 33:sc= 1.1 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.190 -12.817 -17.691 1.00 0.00 N ATOM 2 CA GLY A 1 -11.883 -13.466 -16.594 1.00 0.00 C ATOM 3 C GLY A 1 -11.465 -12.922 -15.242 1.00 0.00 C ATOM 4 O GLY A 1 -10.541 -12.115 -15.148 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.885 -12.447 -18.371 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.615 -12.033 -17.323 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.572 -13.505 -18.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.958 -13.335 -16.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.687 -14.538 -16.628 1.00 0.00 H new ATOM 8 N SER A 2 -12.149 -13.364 -14.191 1.00 0.00 N ATOM 9 CA SER A 2 -11.848 -12.912 -12.838 1.00 0.00 C ATOM 10 C SER A 2 -11.689 -14.098 -11.892 1.00 0.00 C ATOM 11 O SER A 2 -12.551 -14.975 -11.827 1.00 0.00 O ATOM 12 CB SER A 2 -12.953 -11.984 -12.329 1.00 0.00 C ATOM 13 OG SER A 2 -14.090 -12.723 -11.917 1.00 0.00 O ATOM 0 H SER A 2 -12.915 -14.035 -14.251 1.00 0.00 H new ATOM 0 HA SER A 2 -10.907 -12.363 -12.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.579 -11.391 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.236 -11.284 -13.116 1.00 0.00 H new ATOM 0 HG SER A 2 -13.817 -13.631 -11.667 1.00 0.00 H new ATOM 19 N SER A 3 -10.580 -14.118 -11.159 1.00 0.00 N ATOM 20 CA SER A 3 -10.304 -15.198 -10.219 1.00 0.00 C ATOM 21 C SER A 3 -11.574 -15.617 -9.485 1.00 0.00 C ATOM 22 O SER A 3 -11.942 -16.791 -9.476 1.00 0.00 O ATOM 23 CB SER A 3 -9.238 -14.765 -9.211 1.00 0.00 C ATOM 24 OG SER A 3 -7.936 -15.044 -9.695 1.00 0.00 O ATOM 0 H SER A 3 -9.858 -13.398 -11.198 1.00 0.00 H new ATOM 0 HA SER A 3 -9.933 -16.053 -10.784 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.334 -13.698 -9.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.396 -15.282 -8.265 1.00 0.00 H new ATOM 0 HG SER A 3 -7.273 -14.757 -9.034 1.00 0.00 H new ATOM 30 N GLY A 4 -12.242 -14.646 -8.869 1.00 0.00 N ATOM 31 CA GLY A 4 -13.464 -14.932 -8.140 1.00 0.00 C ATOM 32 C GLY A 4 -13.199 -15.579 -6.795 1.00 0.00 C ATOM 33 O GLY A 4 -13.492 -16.758 -6.598 1.00 0.00 O ATOM 0 H GLY A 4 -11.958 -13.666 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.020 -14.006 -7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.095 -15.590 -8.738 1.00 0.00 H new ATOM 37 N SER A 5 -12.641 -14.807 -5.868 1.00 0.00 N ATOM 38 CA SER A 5 -12.331 -15.314 -4.537 1.00 0.00 C ATOM 39 C SER A 5 -13.341 -14.805 -3.513 1.00 0.00 C ATOM 40 O SER A 5 -14.311 -14.133 -3.863 1.00 0.00 O ATOM 41 CB SER A 5 -10.917 -14.898 -4.126 1.00 0.00 C ATOM 42 OG SER A 5 -9.943 -15.523 -4.945 1.00 0.00 O ATOM 0 H SER A 5 -12.394 -13.828 -6.014 1.00 0.00 H new ATOM 0 HA SER A 5 -12.387 -16.402 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.817 -13.815 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.745 -15.164 -3.083 1.00 0.00 H new ATOM 0 HG SER A 5 -9.048 -15.240 -4.663 1.00 0.00 H new ATOM 48 N SER A 6 -13.104 -15.130 -2.246 1.00 0.00 N ATOM 49 CA SER A 6 -13.994 -14.709 -1.170 1.00 0.00 C ATOM 50 C SER A 6 -13.239 -13.887 -0.130 1.00 0.00 C ATOM 51 O SER A 6 -12.096 -14.193 0.209 1.00 0.00 O ATOM 52 CB SER A 6 -14.637 -15.928 -0.505 1.00 0.00 C ATOM 53 OG SER A 6 -15.368 -16.696 -1.446 1.00 0.00 O ATOM 0 H SER A 6 -12.304 -15.683 -1.940 1.00 0.00 H new ATOM 0 HA SER A 6 -14.776 -14.085 -1.602 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.865 -16.546 -0.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.300 -15.602 0.296 1.00 0.00 H new ATOM 0 HG SER A 6 -15.768 -17.470 -0.997 1.00 0.00 H new ATOM 59 N GLY A 7 -13.887 -12.841 0.374 1.00 0.00 N ATOM 60 CA GLY A 7 -13.263 -11.991 1.370 1.00 0.00 C ATOM 61 C GLY A 7 -12.661 -10.737 0.767 1.00 0.00 C ATOM 62 O GLY A 7 -12.601 -10.595 -0.455 1.00 0.00 O ATOM 0 H GLY A 7 -14.833 -12.567 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.003 -11.711 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.484 -12.552 1.886 1.00 0.00 H new ATOM 66 N ILE A 8 -12.216 -9.825 1.624 1.00 0.00 N ATOM 67 CA ILE A 8 -11.616 -8.577 1.169 1.00 0.00 C ATOM 68 C ILE A 8 -10.095 -8.679 1.130 1.00 0.00 C ATOM 69 O ILE A 8 -9.448 -8.142 0.231 1.00 0.00 O ATOM 70 CB ILE A 8 -12.017 -7.397 2.073 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.533 -7.193 2.040 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.297 -6.129 1.640 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.087 -6.569 3.302 1.00 0.00 C ATOM 0 H ILE A 8 -12.260 -9.927 2.638 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.991 -8.396 0.162 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.722 -7.627 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.788 -6.560 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.017 -8.156 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.591 -5.304 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.220 -6.280 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.563 -5.893 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.167 -6.454 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.864 -7.211 4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.630 -5.591 3.455 1.00 0.00 H new ATOM 85 N LYS A 9 -9.530 -9.375 2.110 1.00 0.00 N ATOM 86 CA LYS A 9 -8.084 -9.552 2.188 1.00 0.00 C ATOM 87 C LYS A 9 -7.521 -10.021 0.851 1.00 0.00 C ATOM 88 O LYS A 9 -6.341 -9.823 0.561 1.00 0.00 O ATOM 89 CB LYS A 9 -7.732 -10.560 3.285 1.00 0.00 C ATOM 90 CG LYS A 9 -6.237 -10.750 3.478 1.00 0.00 C ATOM 91 CD LYS A 9 -5.925 -12.087 4.129 1.00 0.00 C ATOM 92 CE LYS A 9 -6.068 -13.235 3.142 1.00 0.00 C ATOM 93 NZ LYS A 9 -4.853 -13.393 2.296 1.00 0.00 N ATOM 0 H LYS A 9 -10.051 -9.826 2.862 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.637 -8.588 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.172 -10.229 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.184 -11.522 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.734 -10.688 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.843 -9.943 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.910 -12.071 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.595 -12.247 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.255 -14.161 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.934 -13.060 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.136 -13.579 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.288 -12.521 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.285 -14.189 2.649 1.00 0.00 H new ATOM 107 N GLN A 10 -8.372 -10.643 0.041 1.00 0.00 N ATOM 108 CA GLN A 10 -7.957 -11.139 -1.266 1.00 0.00 C ATOM 109 C GLN A 10 -8.010 -10.030 -2.311 1.00 0.00 C ATOM 110 O GLN A 10 -6.984 -9.633 -2.862 1.00 0.00 O ATOM 111 CB GLN A 10 -8.847 -12.306 -1.698 1.00 0.00 C ATOM 112 CG GLN A 10 -8.304 -13.667 -1.294 1.00 0.00 C ATOM 113 CD GLN A 10 -6.819 -13.806 -1.564 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.020 -13.965 -0.640 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.440 -13.749 -2.836 1.00 0.00 N ATOM 0 H GLN A 10 -9.352 -10.815 0.266 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.927 -11.487 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.838 -12.176 -1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.967 -12.279 -2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.493 -13.829 -0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.842 -14.444 -1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.136 -13.616 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.453 -13.838 -3.079 1.00 0.00 H new ATOM 124 N MET A 11 -9.214 -9.534 -2.580 1.00 0.00 N ATOM 125 CA MET A 11 -9.400 -8.470 -3.560 1.00 0.00 C ATOM 126 C MET A 11 -8.321 -7.401 -3.413 1.00 0.00 C ATOM 127 O MET A 11 -7.864 -6.826 -4.402 1.00 0.00 O ATOM 128 CB MET A 11 -10.784 -7.838 -3.401 1.00 0.00 C ATOM 129 CG MET A 11 -10.814 -6.678 -2.419 1.00 0.00 C ATOM 130 SD MET A 11 -12.414 -5.848 -2.374 1.00 0.00 S ATOM 131 CE MET A 11 -12.071 -4.399 -3.370 1.00 0.00 C ATOM 0 H MET A 11 -10.074 -9.852 -2.133 1.00 0.00 H new ATOM 0 HA MET A 11 -9.320 -8.908 -4.555 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.129 -7.488 -4.374 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.487 -8.602 -3.070 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.571 -7.045 -1.422 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.043 -5.957 -2.690 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.968 -3.783 -3.436 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.268 -3.823 -2.910 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.768 -4.708 -4.370 1.00 0.00 H new ATOM 141 N LEU A 12 -7.918 -7.140 -2.175 1.00 0.00 N ATOM 142 CA LEU A 12 -6.892 -6.140 -1.899 1.00 0.00 C ATOM 143 C LEU A 12 -5.562 -6.534 -2.534 1.00 0.00 C ATOM 144 O LEU A 12 -4.901 -5.716 -3.174 1.00 0.00 O ATOM 145 CB LEU A 12 -6.717 -5.964 -0.390 1.00 0.00 C ATOM 146 CG LEU A 12 -7.828 -5.199 0.330 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.596 -5.210 1.833 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.915 -3.771 -0.188 1.00 0.00 C ATOM 0 H LEU A 12 -8.286 -7.607 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.215 -5.194 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.631 -6.952 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.774 -5.448 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.776 -5.696 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.396 -4.661 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.586 -6.239 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.639 -4.738 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.711 -3.242 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.966 -3.263 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.130 -3.784 -1.257 1.00 0.00 H new ATOM 160 N LEU A 13 -5.177 -7.793 -2.355 1.00 0.00 N ATOM 161 CA LEU A 13 -3.927 -8.298 -2.912 1.00 0.00 C ATOM 162 C LEU A 13 -3.958 -8.263 -4.437 1.00 0.00 C ATOM 163 O LEU A 13 -2.993 -7.846 -5.078 1.00 0.00 O ATOM 164 CB LEU A 13 -3.669 -9.725 -2.428 1.00 0.00 C ATOM 165 CG LEU A 13 -2.266 -10.277 -2.681 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.291 -9.754 -1.638 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.283 -11.799 -2.682 1.00 0.00 C ATOM 0 H LEU A 13 -5.713 -8.483 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.118 -7.654 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.865 -9.765 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.390 -10.386 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.934 -9.937 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.298 -10.157 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.257 -8.666 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.619 -10.064 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.276 -12.174 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.636 -12.160 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.950 -12.155 -3.467 1.00 0.00 H new ATOM 179 N ASP A 14 -5.072 -8.702 -5.011 1.00 0.00 N ATOM 180 CA ASP A 14 -5.231 -8.719 -6.461 1.00 0.00 C ATOM 181 C ASP A 14 -5.207 -7.302 -7.026 1.00 0.00 C ATOM 182 O ASP A 14 -4.581 -7.044 -8.054 1.00 0.00 O ATOM 183 CB ASP A 14 -6.539 -9.412 -6.845 1.00 0.00 C ATOM 184 CG ASP A 14 -6.466 -10.072 -8.208 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.588 -9.685 -9.008 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.286 -10.975 -8.474 1.00 0.00 O ATOM 0 H ASP A 14 -5.879 -9.051 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.396 -9.276 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.783 -10.163 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.348 -8.682 -6.841 1.00 0.00 H new ATOM 191 N TRP A 15 -5.894 -6.389 -6.349 1.00 0.00 N ATOM 192 CA TRP A 15 -5.952 -4.998 -6.785 1.00 0.00 C ATOM 193 C TRP A 15 -4.578 -4.343 -6.701 1.00 0.00 C ATOM 194 O TRP A 15 -4.074 -3.809 -7.690 1.00 0.00 O ATOM 195 CB TRP A 15 -6.955 -4.218 -5.934 1.00 0.00 C ATOM 196 CG TRP A 15 -6.952 -2.745 -6.213 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.674 -2.091 -7.171 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.190 -1.745 -5.530 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.405 -0.744 -7.124 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.499 -0.506 -6.125 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.278 -1.774 -4.471 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.927 0.689 -5.696 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.711 -0.587 -4.047 1.00 0.00 C ATOM 204 CH2 TRP A 15 -5.038 0.631 -4.658 1.00 0.00 C ATOM 0 H TRP A 15 -6.418 -6.586 -5.497 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.278 -4.982 -7.825 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.956 -4.612 -6.112 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.731 -4.381 -4.880 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.356 -2.563 -7.863 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.814 -0.036 -7.734 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.021 -2.708 -3.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.177 1.629 -6.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.004 -0.598 -3.231 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.579 1.542 -4.302 1.00 0.00 H new ATOM 215 N CYS A 16 -3.977 -4.388 -5.518 1.00 0.00 N ATOM 216 CA CYS A 16 -2.660 -3.798 -5.306 1.00 0.00 C ATOM 217 C CYS A 16 -1.760 -4.027 -6.517 1.00 0.00 C ATOM 218 O CYS A 16 -1.140 -3.094 -7.027 1.00 0.00 O ATOM 219 CB CYS A 16 -2.009 -4.387 -4.054 1.00 0.00 C ATOM 220 SG CYS A 16 -2.593 -3.657 -2.506 1.00 0.00 S ATOM 0 H CYS A 16 -4.380 -4.827 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.789 -2.724 -5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.197 -5.460 -4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.929 -4.254 -4.122 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.732 -4.191 -2.177 1.00 0.00 H new ATOM 226 N ARG A 17 -1.694 -5.275 -6.970 1.00 0.00 N ATOM 227 CA ARG A 17 -0.868 -5.627 -8.118 1.00 0.00 C ATOM 228 C ARG A 17 -1.332 -4.887 -9.369 1.00 0.00 C ATOM 229 O ARG A 17 -0.531 -4.269 -10.070 1.00 0.00 O ATOM 230 CB ARG A 17 -0.911 -7.137 -8.361 1.00 0.00 C ATOM 231 CG ARG A 17 -0.485 -7.960 -7.156 1.00 0.00 C ATOM 232 CD ARG A 17 -1.183 -9.311 -7.129 1.00 0.00 C ATOM 233 NE ARG A 17 -0.446 -10.323 -7.879 1.00 0.00 N ATOM 234 CZ ARG A 17 -0.950 -11.508 -8.207 1.00 0.00 C ATOM 235 NH1 ARG A 17 -2.187 -11.826 -7.853 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.216 -12.376 -8.891 1.00 0.00 N ATOM 0 H ARG A 17 -2.202 -6.058 -6.560 1.00 0.00 H new ATOM 0 HA ARG A 17 0.158 -5.330 -7.900 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.924 -7.422 -8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.263 -7.380 -9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.595 -8.108 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.713 -7.413 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.299 -9.638 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.185 -9.210 -7.545 1.00 0.00 H new ATOM 0 HE ARG A 17 0.509 -10.109 -8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.754 -11.161 -7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.572 -12.736 -8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.736 -12.134 -9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.604 -13.285 -9.142 1.00 0.00 H new ATOM 250 N ALA A 18 -2.630 -4.955 -9.643 1.00 0.00 N ATOM 251 CA ALA A 18 -3.201 -4.290 -10.808 1.00 0.00 C ATOM 252 C ALA A 18 -2.585 -2.910 -11.009 1.00 0.00 C ATOM 253 O ALA A 18 -2.251 -2.525 -12.130 1.00 0.00 O ATOM 254 CB ALA A 18 -4.712 -4.180 -10.666 1.00 0.00 C ATOM 0 H ALA A 18 -3.307 -5.464 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.973 -4.893 -11.687 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.125 -3.681 -11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.143 -5.177 -10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.952 -3.602 -9.774 1.00 0.00 H new ATOM 260 N LYS A 19 -2.438 -2.168 -9.917 1.00 0.00 N ATOM 261 CA LYS A 19 -1.862 -0.830 -9.972 1.00 0.00 C ATOM 262 C LYS A 19 -0.338 -0.893 -9.956 1.00 0.00 C ATOM 263 O LYS A 19 0.337 0.005 -10.462 1.00 0.00 O ATOM 264 CB LYS A 19 -2.360 0.012 -8.795 1.00 0.00 C ATOM 265 CG LYS A 19 -3.874 0.073 -8.690 1.00 0.00 C ATOM 266 CD LYS A 19 -4.470 0.991 -9.743 1.00 0.00 C ATOM 267 CE LYS A 19 -5.886 0.573 -10.111 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.687 1.719 -10.623 1.00 0.00 N ATOM 0 H LYS A 19 -2.710 -2.471 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.180 -0.363 -10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.956 -0.398 -7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.970 1.025 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.288 -0.929 -8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.157 0.424 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.477 2.016 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.843 0.979 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.848 -0.211 -10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.378 0.148 -9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.645 1.393 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.745 2.456 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.231 2.109 -11.473 1.00 0.00 H new ATOM 282 N THR A 20 0.200 -1.959 -9.372 1.00 0.00 N ATOM 283 CA THR A 20 1.644 -2.139 -9.290 1.00 0.00 C ATOM 284 C THR A 20 2.143 -3.084 -10.378 1.00 0.00 C ATOM 285 O THR A 20 3.157 -3.760 -10.208 1.00 0.00 O ATOM 286 CB THR A 20 2.064 -2.690 -7.915 1.00 0.00 C ATOM 287 OG1 THR A 20 1.176 -2.208 -6.901 1.00 0.00 O ATOM 288 CG2 THR A 20 3.491 -2.282 -7.581 1.00 0.00 C ATOM 0 H THR A 20 -0.343 -2.711 -8.949 1.00 0.00 H new ATOM 0 HA THR A 20 2.094 -1.156 -9.432 1.00 0.00 H new ATOM 0 HB THR A 20 2.013 -3.778 -7.954 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.437 -2.841 -6.786 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.765 -2.683 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.169 -2.676 -8.338 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.563 -1.195 -7.560 1.00 0.00 H new ATOM 296 N ARG A 21 1.424 -3.125 -11.494 1.00 0.00 N ATOM 297 CA ARG A 21 1.794 -3.988 -12.610 1.00 0.00 C ATOM 298 C ARG A 21 2.926 -3.369 -13.424 1.00 0.00 C ATOM 299 O ARG A 21 2.850 -2.210 -13.831 1.00 0.00 O ATOM 300 CB ARG A 21 0.583 -4.241 -13.510 1.00 0.00 C ATOM 301 CG ARG A 21 -0.475 -5.128 -12.873 1.00 0.00 C ATOM 302 CD ARG A 21 -1.337 -5.809 -13.924 1.00 0.00 C ATOM 303 NE ARG A 21 -2.196 -4.860 -14.627 1.00 0.00 N ATOM 304 CZ ARG A 21 -2.845 -5.148 -15.750 1.00 0.00 C ATOM 305 NH1 ARG A 21 -2.734 -6.352 -16.293 1.00 0.00 N ATOM 306 NH2 ARG A 21 -3.608 -4.230 -16.331 1.00 0.00 N ATOM 0 H ARG A 21 0.582 -2.571 -11.650 1.00 0.00 H new ATOM 0 HA ARG A 21 2.140 -4.938 -12.203 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.132 -3.285 -13.775 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.921 -4.702 -14.438 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.007 -5.883 -12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.106 -4.529 -12.216 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.696 -6.319 -14.643 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.953 -6.572 -13.448 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.304 -3.925 -14.234 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.149 -7.060 -15.849 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.233 -6.571 -17.155 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.696 -3.303 -15.915 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.106 -4.452 -17.193 1.00 0.00 H new ATOM 320 N GLY A 22 3.976 -4.150 -13.658 1.00 0.00 N ATOM 321 CA GLY A 22 5.109 -3.661 -14.421 1.00 0.00 C ATOM 322 C GLY A 22 6.266 -3.239 -13.537 1.00 0.00 C ATOM 323 O GLY A 22 7.415 -3.600 -13.792 1.00 0.00 O ATOM 0 H GLY A 22 4.062 -5.113 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.445 -4.439 -15.106 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.794 -2.814 -15.031 1.00 0.00 H new ATOM 327 N TYR A 23 5.963 -2.472 -12.496 1.00 0.00 N ATOM 328 CA TYR A 23 6.987 -1.997 -11.573 1.00 0.00 C ATOM 329 C TYR A 23 8.043 -3.071 -11.331 1.00 0.00 C ATOM 330 O TYR A 23 7.749 -4.134 -10.786 1.00 0.00 O ATOM 331 CB TYR A 23 6.353 -1.581 -10.244 1.00 0.00 C ATOM 332 CG TYR A 23 5.606 -0.269 -10.315 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.253 0.936 -10.073 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.251 -0.234 -10.624 1.00 0.00 C ATOM 335 CE1 TYR A 23 5.573 2.137 -10.135 1.00 0.00 C ATOM 336 CE2 TYR A 23 3.564 0.962 -10.690 1.00 0.00 C ATOM 337 CZ TYR A 23 4.229 2.145 -10.444 1.00 0.00 C ATOM 338 OH TYR A 23 3.549 3.340 -10.509 1.00 0.00 O ATOM 0 H TYR A 23 5.017 -2.166 -12.270 1.00 0.00 H new ATOM 0 HA TYR A 23 7.472 -1.131 -12.023 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.667 -2.363 -9.918 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.133 -1.505 -9.487 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.306 0.934 -9.832 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.727 -1.158 -10.816 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.091 3.065 -9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.512 0.971 -10.933 1.00 0.00 H new ATOM 0 HH TYR A 23 3.317 3.534 -11.441 1.00 0.00 H new ATOM 348 N GLU A 24 9.275 -2.784 -11.741 1.00 0.00 N ATOM 349 CA GLU A 24 10.376 -3.725 -11.569 1.00 0.00 C ATOM 350 C GLU A 24 10.804 -3.801 -10.106 1.00 0.00 C ATOM 351 O GLU A 24 10.758 -2.806 -9.382 1.00 0.00 O ATOM 352 CB GLU A 24 11.566 -3.316 -12.440 1.00 0.00 C ATOM 353 CG GLU A 24 12.610 -4.409 -12.594 1.00 0.00 C ATOM 354 CD GLU A 24 13.819 -3.953 -13.389 1.00 0.00 C ATOM 355 OE1 GLU A 24 13.653 -3.090 -14.277 1.00 0.00 O ATOM 356 OE2 GLU A 24 14.929 -4.458 -13.123 1.00 0.00 O ATOM 0 H GLU A 24 9.535 -1.908 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 24 10.030 -4.711 -11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.202 -3.031 -13.427 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.037 -2.434 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.933 -4.740 -11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.159 -5.270 -13.087 1.00 0.00 H new ATOM 363 N HIS A 25 11.219 -4.988 -9.678 1.00 0.00 N ATOM 364 CA HIS A 25 11.656 -5.195 -8.302 1.00 0.00 C ATOM 365 C HIS A 25 10.497 -4.999 -7.329 1.00 0.00 C ATOM 366 O HIS A 25 10.666 -4.422 -6.255 1.00 0.00 O ATOM 367 CB HIS A 25 12.795 -4.236 -7.956 1.00 0.00 C ATOM 368 CG HIS A 25 13.873 -4.186 -8.995 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.775 -5.210 -9.193 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.189 -3.229 -9.898 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.601 -4.884 -10.171 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.266 -3.686 -10.617 1.00 0.00 N ATOM 0 H HIS A 25 11.262 -5.822 -10.264 1.00 0.00 H new ATOM 0 HA HIS A 25 12.015 -6.220 -8.211 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.387 -3.235 -7.819 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.233 -4.534 -7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.687 -2.282 -10.029 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.412 -5.493 -10.543 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.732 -3.183 -11.372 1.00 0.00 H new ATOM 381 N VAL A 26 9.320 -5.482 -7.714 1.00 0.00 N ATOM 382 CA VAL A 26 8.133 -5.360 -6.876 1.00 0.00 C ATOM 383 C VAL A 26 7.178 -6.526 -7.102 1.00 0.00 C ATOM 384 O VAL A 26 6.743 -6.777 -8.226 1.00 0.00 O ATOM 385 CB VAL A 26 7.387 -4.040 -7.148 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.138 -3.944 -6.285 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.304 -2.850 -6.905 1.00 0.00 C ATOM 0 H VAL A 26 9.163 -5.961 -8.601 1.00 0.00 H new ATOM 0 HA VAL A 26 8.475 -5.369 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 26 7.079 -4.026 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.625 -3.005 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.474 -4.778 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.419 -3.980 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.761 -1.926 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.643 -2.858 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.166 -2.913 -7.570 1.00 0.00 H new ATOM 397 N ASP A 27 6.855 -7.236 -6.027 1.00 0.00 N ATOM 398 CA ASP A 27 5.949 -8.377 -6.107 1.00 0.00 C ATOM 399 C ASP A 27 5.132 -8.513 -4.827 1.00 0.00 C ATOM 400 O ASP A 27 5.673 -8.814 -3.762 1.00 0.00 O ATOM 401 CB ASP A 27 6.736 -9.663 -6.364 1.00 0.00 C ATOM 402 CG ASP A 27 7.334 -9.708 -7.757 1.00 0.00 C ATOM 403 OD1 ASP A 27 6.585 -9.484 -8.731 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.550 -9.968 -7.873 1.00 0.00 O ATOM 0 H ASP A 27 7.207 -7.042 -5.089 1.00 0.00 H new ATOM 0 HA ASP A 27 5.264 -8.208 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.534 -9.751 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.079 -10.521 -6.226 1.00 0.00 H new ATOM 409 N ILE A 28 3.827 -8.288 -4.937 1.00 0.00 N ATOM 410 CA ILE A 28 2.935 -8.386 -3.788 1.00 0.00 C ATOM 411 C ILE A 28 2.291 -9.766 -3.708 1.00 0.00 C ATOM 412 O ILE A 28 1.201 -9.984 -4.235 1.00 0.00 O ATOM 413 CB ILE A 28 1.827 -7.317 -3.843 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.441 -5.916 -3.867 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.887 -7.469 -2.657 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.447 -4.826 -4.201 1.00 0.00 C ATOM 0 H ILE A 28 3.364 -8.037 -5.810 1.00 0.00 H new ATOM 0 HA ILE A 28 3.545 -8.220 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 28 1.252 -7.457 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.885 -5.706 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.250 -5.895 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.109 -6.707 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.429 -8.458 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.449 -7.351 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.952 -3.860 -4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.021 -5.012 -5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.650 -4.820 -3.457 1.00 0.00 H new ATOM 428 N GLN A 29 2.973 -10.693 -3.043 1.00 0.00 N ATOM 429 CA GLN A 29 2.467 -12.052 -2.893 1.00 0.00 C ATOM 430 C GLN A 29 1.630 -12.184 -1.625 1.00 0.00 C ATOM 431 O GLN A 29 0.611 -12.873 -1.611 1.00 0.00 O ATOM 432 CB GLN A 29 3.625 -13.050 -2.860 1.00 0.00 C ATOM 433 CG GLN A 29 3.196 -14.489 -3.098 1.00 0.00 C ATOM 434 CD GLN A 29 4.197 -15.493 -2.562 1.00 0.00 C ATOM 435 OE1 GLN A 29 4.816 -16.250 -3.460 1.00 0.00 O flip ATOM 436 NE2 GLN A 29 4.412 -15.588 -1.353 1.00 0.00 N flip ATOM 0 H GLN A 29 3.877 -10.528 -2.600 1.00 0.00 H new ATOM 0 HA GLN A 29 1.832 -12.273 -3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.358 -12.768 -3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.123 -12.984 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.229 -14.659 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.061 -14.652 -4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.914 -14.986 -0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.088 -16.269 -1.007 1.00 0.00 H new ATOM 445 N ASN A 30 2.068 -11.518 -0.561 1.00 0.00 N ATOM 446 CA ASN A 30 1.360 -11.562 0.713 1.00 0.00 C ATOM 447 C ASN A 30 1.722 -10.359 1.579 1.00 0.00 C ATOM 448 O ASN A 30 2.838 -9.844 1.509 1.00 0.00 O ATOM 449 CB ASN A 30 1.687 -12.858 1.459 1.00 0.00 C ATOM 450 CG ASN A 30 3.148 -13.246 1.329 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.473 -14.324 0.833 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.036 -12.365 1.776 1.00 0.00 N ATOM 0 H ASN A 30 2.910 -10.942 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 30 0.290 -11.530 0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.437 -12.740 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.064 -13.664 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.033 -12.570 1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.721 -11.483 2.180 1.00 0.00 H new ATOM 459 N PHE A 31 0.771 -9.916 2.395 1.00 0.00 N ATOM 460 CA PHE A 31 0.989 -8.773 3.274 1.00 0.00 C ATOM 461 C PHE A 31 1.835 -9.169 4.480 1.00 0.00 C ATOM 462 O PHE A 31 1.494 -8.857 5.621 1.00 0.00 O ATOM 463 CB PHE A 31 -0.351 -8.200 3.742 1.00 0.00 C ATOM 464 CG PHE A 31 -1.313 -7.933 2.620 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.095 -6.887 1.737 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.436 -8.727 2.449 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.979 -6.639 0.704 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.322 -8.483 1.417 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.095 -7.437 0.544 1.00 0.00 C ATOM 0 H PHE A 31 -0.158 -10.331 2.466 1.00 0.00 H new ATOM 0 HA PHE A 31 1.526 -8.010 2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.809 -8.896 4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.171 -7.272 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.225 -6.259 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.621 -9.545 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.797 -5.821 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.192 -9.110 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.788 -7.244 -0.261 1.00 0.00 H new ATOM 479 N SER A 32 2.941 -9.859 4.219 1.00 0.00 N ATOM 480 CA SER A 32 3.835 -10.302 5.283 1.00 0.00 C ATOM 481 C SER A 32 5.243 -9.755 5.072 1.00 0.00 C ATOM 482 O SER A 32 5.699 -8.881 5.808 1.00 0.00 O ATOM 483 CB SER A 32 3.872 -11.830 5.344 1.00 0.00 C ATOM 484 OG SER A 32 2.874 -12.330 6.217 1.00 0.00 O ATOM 0 H SER A 32 3.239 -10.123 3.280 1.00 0.00 H new ATOM 0 HA SER A 32 3.453 -9.918 6.229 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.725 -12.241 4.345 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.854 -12.160 5.683 1.00 0.00 H new ATOM 0 HG SER A 32 2.917 -13.309 6.237 1.00 0.00 H new ATOM 490 N SER A 33 5.928 -10.278 4.060 1.00 0.00 N ATOM 491 CA SER A 33 7.287 -9.847 3.752 1.00 0.00 C ATOM 492 C SER A 33 7.418 -9.475 2.278 1.00 0.00 C ATOM 493 O SER A 33 8.404 -9.818 1.626 1.00 0.00 O ATOM 494 CB SER A 33 8.287 -10.951 4.102 1.00 0.00 C ATOM 495 OG SER A 33 8.113 -12.081 3.265 1.00 0.00 O ATOM 0 H SER A 33 5.564 -11.001 3.439 1.00 0.00 H new ATOM 0 HA SER A 33 7.507 -8.964 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.303 -10.571 3.999 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.160 -11.244 5.144 1.00 0.00 H new ATOM 0 HG SER A 33 8.765 -12.771 3.508 1.00 0.00 H new ATOM 501 N SER A 34 6.417 -8.770 1.761 1.00 0.00 N ATOM 502 CA SER A 34 6.417 -8.354 0.363 1.00 0.00 C ATOM 503 C SER A 34 6.754 -6.871 0.238 1.00 0.00 C ATOM 504 O SER A 34 7.315 -6.434 -0.767 1.00 0.00 O ATOM 505 CB SER A 34 5.056 -8.635 -0.275 1.00 0.00 C ATOM 506 OG SER A 34 4.899 -10.015 -0.556 1.00 0.00 O ATOM 0 H SER A 34 5.596 -8.475 2.289 1.00 0.00 H new ATOM 0 HA SER A 34 7.181 -8.928 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.262 -8.305 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.957 -8.060 -1.196 1.00 0.00 H new ATOM 0 HG SER A 34 5.494 -10.269 -1.293 1.00 0.00 H new ATOM 512 N TRP A 35 6.408 -6.104 1.265 1.00 0.00 N ATOM 513 CA TRP A 35 6.673 -4.670 1.271 1.00 0.00 C ATOM 514 C TRP A 35 7.900 -4.347 2.116 1.00 0.00 C ATOM 515 O TRP A 35 8.570 -3.339 1.893 1.00 0.00 O ATOM 516 CB TRP A 35 5.457 -3.908 1.803 1.00 0.00 C ATOM 517 CG TRP A 35 4.153 -4.435 1.285 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.581 -5.640 1.581 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.261 -3.776 0.381 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.386 -5.769 0.915 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.167 -4.639 0.172 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.278 -2.540 -0.272 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.103 -4.303 -0.662 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.222 -2.209 -1.100 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.146 -3.088 -1.288 1.00 0.00 C ATOM 0 H TRP A 35 5.943 -6.451 2.104 1.00 0.00 H new ATOM 0 HA TRP A 35 6.869 -4.357 0.245 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.454 -3.958 2.892 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.549 -2.856 1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.006 -6.382 2.241 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.763 -6.575 0.966 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.102 -1.856 -0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.273 -4.978 -0.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.226 -1.257 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.335 -2.800 -1.940 1.00 0.00 H new ATOM 536 N SER A 36 8.189 -5.208 3.087 1.00 0.00 N ATOM 537 CA SER A 36 9.334 -5.011 3.967 1.00 0.00 C ATOM 538 C SER A 36 10.497 -4.373 3.212 1.00 0.00 C ATOM 539 O SER A 36 11.262 -3.590 3.776 1.00 0.00 O ATOM 540 CB SER A 36 9.775 -6.346 4.572 1.00 0.00 C ATOM 541 OG SER A 36 10.079 -7.288 3.558 1.00 0.00 O ATOM 0 H SER A 36 7.646 -6.049 3.284 1.00 0.00 H new ATOM 0 HA SER A 36 9.032 -4.338 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.650 -6.192 5.204 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.985 -6.738 5.212 1.00 0.00 H new ATOM 0 HG SER A 36 10.360 -8.132 3.969 1.00 0.00 H new ATOM 547 N ASP A 37 10.622 -4.714 1.935 1.00 0.00 N ATOM 548 CA ASP A 37 11.690 -4.175 1.101 1.00 0.00 C ATOM 549 C ASP A 37 11.651 -2.650 1.087 1.00 0.00 C ATOM 550 O ASP A 37 12.602 -1.991 1.507 1.00 0.00 O ATOM 551 CB ASP A 37 11.573 -4.713 -0.326 1.00 0.00 C ATOM 552 CG ASP A 37 12.896 -4.684 -1.066 1.00 0.00 C ATOM 553 OD1 ASP A 37 13.895 -5.194 -0.516 1.00 0.00 O ATOM 554 OD2 ASP A 37 12.932 -4.153 -2.195 1.00 0.00 O ATOM 0 H ASP A 37 9.997 -5.361 1.454 1.00 0.00 H new ATOM 0 HA ASP A 37 12.643 -4.493 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.199 -5.736 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.840 -4.122 -0.875 1.00 0.00 H new ATOM 559 N GLY A 38 10.545 -2.095 0.601 1.00 0.00 N ATOM 560 CA GLY A 38 10.404 -0.652 0.540 1.00 0.00 C ATOM 561 C GLY A 38 9.797 -0.183 -0.767 1.00 0.00 C ATOM 562 O GLY A 38 8.687 0.349 -0.789 1.00 0.00 O ATOM 0 H GLY A 38 9.744 -2.619 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.780 -0.316 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.382 -0.189 0.670 1.00 0.00 H new ATOM 566 N MET A 39 10.526 -0.380 -1.861 1.00 0.00 N ATOM 567 CA MET A 39 10.053 0.028 -3.178 1.00 0.00 C ATOM 568 C MET A 39 8.571 -0.292 -3.346 1.00 0.00 C ATOM 569 O MET A 39 7.789 0.553 -3.781 1.00 0.00 O ATOM 570 CB MET A 39 10.864 -0.668 -4.273 1.00 0.00 C ATOM 571 CG MET A 39 12.246 -0.070 -4.479 1.00 0.00 C ATOM 572 SD MET A 39 13.050 -0.677 -5.974 1.00 0.00 S ATOM 573 CE MET A 39 13.358 0.859 -6.841 1.00 0.00 C ATOM 0 H MET A 39 11.446 -0.820 -1.861 1.00 0.00 H new ATOM 0 HA MET A 39 10.187 1.106 -3.267 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.968 -1.724 -4.021 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.311 -0.617 -5.211 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.164 1.016 -4.531 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.870 -0.302 -3.616 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.549 0.651 -7.894 1.00 0.00 H new ATOM 0 HE2 MET A 39 12.487 1.508 -6.752 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.226 1.355 -6.406 1.00 0.00 H new ATOM 583 N ALA A 40 8.191 -1.517 -2.998 1.00 0.00 N ATOM 584 CA ALA A 40 6.803 -1.947 -3.109 1.00 0.00 C ATOM 585 C ALA A 40 5.847 -0.798 -2.809 1.00 0.00 C ATOM 586 O ALA A 40 5.081 -0.372 -3.674 1.00 0.00 O ATOM 587 CB ALA A 40 6.536 -3.117 -2.173 1.00 0.00 C ATOM 0 H ALA A 40 8.825 -2.229 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 40 6.630 -2.271 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.495 -3.428 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.188 -3.950 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.733 -2.813 -1.145 1.00 0.00 H new ATOM 593 N PHE A 41 5.895 -0.300 -1.578 1.00 0.00 N ATOM 594 CA PHE A 41 5.032 0.800 -1.163 1.00 0.00 C ATOM 595 C PHE A 41 5.081 1.941 -2.174 1.00 0.00 C ATOM 596 O PHE A 41 4.058 2.328 -2.740 1.00 0.00 O ATOM 597 CB PHE A 41 5.447 1.309 0.219 1.00 0.00 C ATOM 598 CG PHE A 41 4.748 0.609 1.350 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.377 0.723 1.511 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.464 -0.161 2.252 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.731 0.081 2.550 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.823 -0.806 3.293 1.00 0.00 C ATOM 603 CZ PHE A 41 3.455 -0.684 3.443 1.00 0.00 C ATOM 0 H PHE A 41 6.523 -0.641 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 41 4.009 0.427 -1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.524 1.185 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.241 2.378 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.806 1.321 0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.534 -0.258 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.661 0.177 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.391 -1.405 3.989 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.953 -1.186 4.257 1.00 0.00 H new ATOM 613 N CYS A 42 6.277 2.476 -2.395 1.00 0.00 N ATOM 614 CA CYS A 42 6.461 3.575 -3.337 1.00 0.00 C ATOM 615 C CYS A 42 5.775 3.273 -4.665 1.00 0.00 C ATOM 616 O CYS A 42 4.892 4.012 -5.100 1.00 0.00 O ATOM 617 CB CYS A 42 7.951 3.833 -3.566 1.00 0.00 C ATOM 618 SG CYS A 42 8.761 4.728 -2.219 1.00 0.00 S ATOM 0 H CYS A 42 7.133 2.167 -1.935 1.00 0.00 H new ATOM 0 HA CYS A 42 6.006 4.468 -2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.456 2.878 -3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.073 4.399 -4.489 1.00 0.00 H new ATOM 0 HG CYS A 42 8.723 4.010 -1.136 1.00 0.00 H new ATOM 624 N ALA A 43 6.187 2.184 -5.305 1.00 0.00 N ATOM 625 CA ALA A 43 5.612 1.785 -6.583 1.00 0.00 C ATOM 626 C ALA A 43 4.094 1.929 -6.571 1.00 0.00 C ATOM 627 O ALA A 43 3.508 2.513 -7.483 1.00 0.00 O ATOM 628 CB ALA A 43 6.006 0.353 -6.915 1.00 0.00 C ATOM 0 H ALA A 43 6.917 1.562 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 43 6.007 2.447 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.570 0.068 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.092 0.279 -6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.639 -0.315 -6.136 1.00 0.00 H new ATOM 634 N LEU A 44 3.462 1.392 -5.533 1.00 0.00 N ATOM 635 CA LEU A 44 2.011 1.460 -5.402 1.00 0.00 C ATOM 636 C LEU A 44 1.528 2.907 -5.432 1.00 0.00 C ATOM 637 O LEU A 44 0.560 3.235 -6.117 1.00 0.00 O ATOM 638 CB LEU A 44 1.564 0.789 -4.102 1.00 0.00 C ATOM 639 CG LEU A 44 0.063 0.819 -3.812 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.659 -0.244 -4.625 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.197 0.625 -2.325 1.00 0.00 C ATOM 0 H LEU A 44 3.932 0.905 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 44 1.570 0.931 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.889 -0.251 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.084 1.268 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.325 1.795 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.726 -0.208 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.501 -0.059 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.269 -1.228 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.270 0.649 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.205 -0.337 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.288 1.424 -1.764 1.00 0.00 H new ATOM 653 N VAL A 45 2.212 3.769 -4.686 1.00 0.00 N ATOM 654 CA VAL A 45 1.856 5.182 -4.630 1.00 0.00 C ATOM 655 C VAL A 45 2.150 5.875 -5.956 1.00 0.00 C ATOM 656 O VAL A 45 1.243 6.375 -6.622 1.00 0.00 O ATOM 657 CB VAL A 45 2.615 5.908 -3.504 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.264 7.387 -3.491 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.311 5.267 -2.158 1.00 0.00 C ATOM 0 H VAL A 45 3.016 3.514 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 45 0.786 5.231 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 45 3.685 5.815 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.810 7.883 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.537 7.834 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.193 7.505 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.856 5.792 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.241 5.327 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.618 4.221 -2.175 1.00 0.00 H new ATOM 669 N HIS A 46 3.424 5.903 -6.333 1.00 0.00 N ATOM 670 CA HIS A 46 3.838 6.535 -7.581 1.00 0.00 C ATOM 671 C HIS A 46 2.779 6.346 -8.663 1.00 0.00 C ATOM 672 O HIS A 46 2.457 7.278 -9.398 1.00 0.00 O ATOM 673 CB HIS A 46 5.173 5.957 -8.051 1.00 0.00 C ATOM 674 CG HIS A 46 5.713 6.621 -9.281 1.00 0.00 C ATOM 675 ND1 HIS A 46 6.238 7.855 -9.462 1.00 0.00 N flip ATOM 676 CD2 HIS A 46 5.751 6.005 -10.514 1.00 0.00 C flip ATOM 677 CE1 HIS A 46 6.580 7.961 -10.788 1.00 0.00 C flip ATOM 678 NE2 HIS A 46 6.277 6.831 -11.400 1.00 0.00 N flip ATOM 0 H HIS A 46 4.187 5.496 -5.793 1.00 0.00 H new ATOM 0 HA HIS A 46 3.957 7.603 -7.397 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.903 6.050 -7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.050 4.892 -8.247 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.357 8.573 -8.747 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.405 5.004 -10.723 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.025 8.828 -11.254 1.00 0.00 H new ATOM 687 N ASN A 47 2.243 5.133 -8.755 1.00 0.00 N ATOM 688 CA ASN A 47 1.222 4.822 -9.748 1.00 0.00 C ATOM 689 C ASN A 47 0.122 5.880 -9.748 1.00 0.00 C ATOM 690 O ASN A 47 -0.253 6.401 -10.798 1.00 0.00 O ATOM 691 CB ASN A 47 0.619 3.443 -9.475 1.00 0.00 C ATOM 692 CG ASN A 47 0.039 2.808 -10.725 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.766 2.484 -11.664 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.276 2.627 -10.740 1.00 0.00 N ATOM 0 H ASN A 47 2.499 4.350 -8.154 1.00 0.00 H new ATOM 0 HA ASN A 47 1.695 4.816 -10.730 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.387 2.789 -9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.163 3.534 -8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.723 2.204 -11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.839 2.911 -9.938 1.00 0.00 H new ATOM 701 N PHE A 48 -0.390 6.192 -8.562 1.00 0.00 N ATOM 702 CA PHE A 48 -1.447 7.187 -8.423 1.00 0.00 C ATOM 703 C PHE A 48 -0.905 8.593 -8.664 1.00 0.00 C ATOM 704 O PHE A 48 -1.321 9.279 -9.598 1.00 0.00 O ATOM 705 CB PHE A 48 -2.077 7.103 -7.032 1.00 0.00 C ATOM 706 CG PHE A 48 -2.098 5.711 -6.467 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.472 4.635 -7.255 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.743 5.480 -5.147 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.492 3.354 -6.737 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.762 4.201 -4.624 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.136 3.136 -5.420 1.00 0.00 C ATOM 0 H PHE A 48 -0.090 5.770 -7.683 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.210 6.977 -9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.527 7.754 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.098 7.482 -7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.751 4.799 -8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.448 6.309 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.786 2.523 -7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.485 4.034 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.150 2.135 -5.014 1.00 0.00 H new ATOM 721 N PHE A 49 0.025 9.016 -7.815 1.00 0.00 N ATOM 722 CA PHE A 49 0.624 10.340 -7.934 1.00 0.00 C ATOM 723 C PHE A 49 2.112 10.238 -8.254 1.00 0.00 C ATOM 724 O PHE A 49 2.965 10.231 -7.367 1.00 0.00 O ATOM 725 CB PHE A 49 0.423 11.132 -6.640 1.00 0.00 C ATOM 726 CG PHE A 49 -0.991 11.101 -6.132 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.939 11.980 -6.631 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.371 10.194 -5.156 1.00 0.00 C ATOM 729 CE1 PHE A 49 -3.240 11.954 -6.165 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.671 10.164 -4.687 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.606 11.044 -5.192 1.00 0.00 C ATOM 0 H PHE A 49 0.381 8.461 -7.037 1.00 0.00 H new ATOM 0 HA PHE A 49 0.129 10.862 -8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.085 10.732 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.718 12.168 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.658 12.693 -7.392 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.643 9.503 -4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.970 12.644 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.955 9.452 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.622 11.022 -4.827 1.00 0.00 H new ATOM 741 N PRO A 50 2.432 10.156 -9.554 1.00 0.00 N ATOM 742 CA PRO A 50 3.817 10.053 -10.023 1.00 0.00 C ATOM 743 C PRO A 50 4.599 11.344 -9.811 1.00 0.00 C ATOM 744 O PRO A 50 5.777 11.316 -9.457 1.00 0.00 O ATOM 745 CB PRO A 50 3.665 9.759 -11.518 1.00 0.00 C ATOM 746 CG PRO A 50 2.337 10.327 -11.882 1.00 0.00 C ATOM 747 CD PRO A 50 1.467 10.159 -10.666 1.00 0.00 C ATOM 0 HA PRO A 50 4.375 9.291 -9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.465 10.221 -12.096 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.706 8.688 -11.717 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.424 11.378 -12.157 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.912 9.807 -12.741 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.747 10.972 -10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.896 9.231 -10.705 1.00 0.00 H new ATOM 755 N GLU A 51 3.936 12.475 -10.030 1.00 0.00 N ATOM 756 CA GLU A 51 4.570 13.777 -9.862 1.00 0.00 C ATOM 757 C GLU A 51 4.928 14.024 -8.399 1.00 0.00 C ATOM 758 O GLU A 51 5.995 14.555 -8.091 1.00 0.00 O ATOM 759 CB GLU A 51 3.648 14.888 -10.368 1.00 0.00 C ATOM 760 CG GLU A 51 2.364 15.025 -9.566 1.00 0.00 C ATOM 761 CD GLU A 51 1.298 15.813 -10.302 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.480 17.035 -10.481 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.281 15.206 -10.700 1.00 0.00 O ATOM 0 H GLU A 51 2.960 12.516 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 51 5.489 13.783 -10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.186 15.836 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.396 14.693 -11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.979 14.033 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.583 15.515 -8.617 1.00 0.00 H new ATOM 770 N ALA A 52 4.027 13.636 -7.503 1.00 0.00 N ATOM 771 CA ALA A 52 4.247 13.814 -6.073 1.00 0.00 C ATOM 772 C ALA A 52 5.680 13.460 -5.690 1.00 0.00 C ATOM 773 O ALA A 52 6.271 14.087 -4.810 1.00 0.00 O ATOM 774 CB ALA A 52 3.262 12.969 -5.278 1.00 0.00 C ATOM 0 H ALA A 52 3.138 13.196 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 52 4.083 14.865 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.438 13.112 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.244 13.272 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.398 11.917 -5.531 1.00 0.00 H new ATOM 780 N PHE A 53 6.234 12.452 -6.355 1.00 0.00 N ATOM 781 CA PHE A 53 7.598 12.014 -6.083 1.00 0.00 C ATOM 782 C PHE A 53 8.100 11.084 -7.184 1.00 0.00 C ATOM 783 O PHE A 53 7.314 10.403 -7.842 1.00 0.00 O ATOM 784 CB PHE A 53 7.668 11.305 -4.729 1.00 0.00 C ATOM 785 CG PHE A 53 7.178 9.886 -4.770 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.878 9.598 -5.157 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.016 8.839 -4.422 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.425 8.293 -5.195 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.568 7.532 -4.458 1.00 0.00 C ATOM 790 CZ PHE A 53 6.271 7.259 -4.846 1.00 0.00 C ATOM 0 H PHE A 53 5.759 11.923 -7.086 1.00 0.00 H new ATOM 0 HA PHE A 53 8.238 12.896 -6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.699 11.315 -4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.077 11.864 -4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.212 10.403 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.032 9.047 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.410 8.082 -5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.231 6.725 -4.183 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.919 6.238 -4.876 1.00 0.00 H new ATOM 800 N ASP A 54 9.414 11.063 -7.377 1.00 0.00 N ATOM 801 CA ASP A 54 10.023 10.217 -8.397 1.00 0.00 C ATOM 802 C ASP A 54 10.347 8.836 -7.836 1.00 0.00 C ATOM 803 O ASP A 54 11.016 8.713 -6.809 1.00 0.00 O ATOM 804 CB ASP A 54 11.295 10.871 -8.940 1.00 0.00 C ATOM 805 CG ASP A 54 11.018 12.198 -9.619 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.317 12.201 -10.653 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.502 13.233 -9.117 1.00 0.00 O ATOM 0 H ASP A 54 10.078 11.622 -6.841 1.00 0.00 H new ATOM 0 HA ASP A 54 9.307 10.100 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.999 11.024 -8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.773 10.196 -9.650 1.00 0.00 H new ATOM 812 N TYR A 55 9.867 7.800 -8.514 1.00 0.00 N ATOM 813 CA TYR A 55 10.103 6.427 -8.081 1.00 0.00 C ATOM 814 C TYR A 55 11.507 5.969 -8.461 1.00 0.00 C ATOM 815 O TYR A 55 12.297 5.576 -7.604 1.00 0.00 O ATOM 816 CB TYR A 55 9.064 5.490 -8.699 1.00 0.00 C ATOM 817 CG TYR A 55 9.349 4.025 -8.456 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.301 3.492 -7.173 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.667 3.175 -9.507 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.561 2.155 -6.946 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.927 1.836 -9.289 1.00 0.00 C ATOM 822 CZ TYR A 55 9.873 1.330 -8.007 1.00 0.00 C ATOM 823 OH TYR A 55 10.133 -0.003 -7.785 1.00 0.00 O ATOM 0 H TYR A 55 9.312 7.884 -9.366 1.00 0.00 H new ATOM 0 HA TYR A 55 10.012 6.395 -6.995 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.082 5.732 -8.294 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.019 5.669 -9.773 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.056 4.134 -6.340 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.712 3.568 -10.512 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.520 1.757 -5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.171 1.189 -10.118 1.00 0.00 H new ATOM 0 HH TYR A 55 10.910 -0.091 -7.195 1.00 0.00 H new ATOM 833 N GLY A 56 11.811 6.025 -9.754 1.00 0.00 N ATOM 834 CA GLY A 56 13.121 5.614 -10.227 1.00 0.00 C ATOM 835 C GLY A 56 14.248 6.261 -9.447 1.00 0.00 C ATOM 836 O GLY A 56 15.300 5.655 -9.247 1.00 0.00 O ATOM 0 H GLY A 56 11.174 6.347 -10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.207 4.530 -10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.220 5.870 -11.282 1.00 0.00 H new ATOM 840 N GLN A 57 14.028 7.496 -9.007 1.00 0.00 N ATOM 841 CA GLN A 57 15.036 8.226 -8.247 1.00 0.00 C ATOM 842 C GLN A 57 15.424 7.463 -6.985 1.00 0.00 C ATOM 843 O GLN A 57 16.598 7.409 -6.616 1.00 0.00 O ATOM 844 CB GLN A 57 14.518 9.617 -7.877 1.00 0.00 C ATOM 845 CG GLN A 57 14.584 10.615 -9.022 1.00 0.00 C ATOM 846 CD GLN A 57 15.851 10.477 -9.844 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.867 11.107 -9.549 1.00 0.00 O ATOM 848 NE2 GLN A 57 15.797 9.651 -10.882 1.00 0.00 N ATOM 0 H GLN A 57 13.162 8.011 -9.164 1.00 0.00 H new ATOM 0 HA GLN A 57 15.922 8.331 -8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.485 9.533 -7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.098 10.000 -7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.718 10.477 -9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.524 11.627 -8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.934 9.149 -11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.619 9.518 -11.472 1.00 0.00 H new ATOM 857 N LEU A 58 14.432 6.875 -6.326 1.00 0.00 N ATOM 858 CA LEU A 58 14.669 6.115 -5.104 1.00 0.00 C ATOM 859 C LEU A 58 15.451 4.839 -5.400 1.00 0.00 C ATOM 860 O LEU A 58 15.754 4.538 -6.554 1.00 0.00 O ATOM 861 CB LEU A 58 13.341 5.767 -4.430 1.00 0.00 C ATOM 862 CG LEU A 58 12.393 6.939 -4.170 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.973 6.440 -3.954 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.864 7.750 -2.972 1.00 0.00 C ATOM 0 H LEU A 58 13.455 6.910 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 58 15.260 6.734 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.822 5.037 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.556 5.281 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 58 12.398 7.587 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.313 7.288 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.637 5.904 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.950 5.770 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.178 8.580 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.889 7.113 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.863 8.140 -3.167 1.00 0.00 H new ATOM 876 N SER A 59 15.773 4.091 -4.349 1.00 0.00 N ATOM 877 CA SER A 59 16.521 2.848 -4.496 1.00 0.00 C ATOM 878 C SER A 59 15.987 1.777 -3.549 1.00 0.00 C ATOM 879 O SER A 59 15.380 2.070 -2.518 1.00 0.00 O ATOM 880 CB SER A 59 18.008 3.088 -4.225 1.00 0.00 C ATOM 881 OG SER A 59 18.643 3.673 -5.348 1.00 0.00 O ATOM 0 H SER A 59 15.528 4.324 -3.387 1.00 0.00 H new ATOM 0 HA SER A 59 16.397 2.497 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.122 3.739 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.493 2.143 -3.980 1.00 0.00 H new ATOM 0 HG SER A 59 17.965 4.036 -5.955 1.00 0.00 H new ATOM 887 N PRO A 60 16.216 0.505 -3.907 1.00 0.00 N ATOM 888 CA PRO A 60 15.766 -0.636 -3.104 1.00 0.00 C ATOM 889 C PRO A 60 16.537 -0.763 -1.794 1.00 0.00 C ATOM 890 O PRO A 60 15.946 -0.969 -0.735 1.00 0.00 O ATOM 891 CB PRO A 60 16.047 -1.839 -4.008 1.00 0.00 C ATOM 892 CG PRO A 60 17.149 -1.389 -4.905 1.00 0.00 C ATOM 893 CD PRO A 60 16.931 0.083 -5.123 1.00 0.00 C ATOM 0 HA PRO A 60 14.721 -0.541 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.342 -2.712 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.162 -2.121 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.122 -1.576 -4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.128 -1.931 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 60 17.875 0.616 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.344 0.274 -6.021 1.00 0.00 H new ATOM 901 N GLN A 61 17.857 -0.637 -1.876 1.00 0.00 N ATOM 902 CA GLN A 61 18.708 -0.738 -0.696 1.00 0.00 C ATOM 903 C GLN A 61 18.174 0.134 0.436 1.00 0.00 C ATOM 904 O GLN A 61 18.261 -0.231 1.608 1.00 0.00 O ATOM 905 CB GLN A 61 20.141 -0.329 -1.038 1.00 0.00 C ATOM 906 CG GLN A 61 21.047 -0.213 0.178 1.00 0.00 C ATOM 907 CD GLN A 61 21.692 -1.533 0.552 1.00 0.00 C ATOM 908 OE1 GLN A 61 22.798 -1.846 0.109 1.00 0.00 O ATOM 909 NE2 GLN A 61 21.003 -2.317 1.374 1.00 0.00 N ATOM 0 H GLN A 61 18.361 -0.465 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 61 18.704 -1.776 -0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.564 -1.060 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.122 0.628 -1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.825 0.524 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 61 20.468 0.157 1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 61 20.090 -2.019 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.387 -3.217 1.662 1.00 0.00 H new ATOM 918 N ASN A 62 17.622 1.289 0.077 1.00 0.00 N ATOM 919 CA ASN A 62 17.075 2.214 1.063 1.00 0.00 C ATOM 920 C ASN A 62 15.840 1.623 1.737 1.00 0.00 C ATOM 921 O ASN A 62 14.737 1.684 1.195 1.00 0.00 O ATOM 922 CB ASN A 62 16.721 3.547 0.401 1.00 0.00 C ATOM 923 CG ASN A 62 17.897 4.504 0.362 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.589 4.695 1.362 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.127 5.110 -0.796 1.00 0.00 N ATOM 0 H ASN A 62 17.542 1.606 -0.889 1.00 0.00 H new ATOM 0 HA ASN A 62 17.835 2.386 1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.372 3.363 -0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.897 4.011 0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.904 5.765 -0.883 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.527 4.921 -1.599 1.00 0.00 H new ATOM 932 N ARG A 63 16.035 1.053 2.921 1.00 0.00 N ATOM 933 CA ARG A 63 14.937 0.451 3.669 1.00 0.00 C ATOM 934 C ARG A 63 14.064 1.524 4.311 1.00 0.00 C ATOM 935 O ARG A 63 12.888 1.294 4.595 1.00 0.00 O ATOM 936 CB ARG A 63 15.481 -0.491 4.744 1.00 0.00 C ATOM 937 CG ARG A 63 16.240 -1.682 4.184 1.00 0.00 C ATOM 938 CD ARG A 63 15.333 -2.585 3.362 1.00 0.00 C ATOM 939 NE ARG A 63 15.783 -3.974 3.378 1.00 0.00 N ATOM 940 CZ ARG A 63 15.517 -4.822 4.366 1.00 0.00 C ATOM 941 NH1 ARG A 63 14.807 -4.423 5.413 1.00 0.00 N ATOM 942 NH2 ARG A 63 15.962 -6.070 4.308 1.00 0.00 N ATOM 0 H ARG A 63 16.942 0.995 3.383 1.00 0.00 H new ATOM 0 HA ARG A 63 14.325 -0.120 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.140 0.070 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.651 -0.853 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 63 17.064 -1.330 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.678 -2.253 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.316 -2.529 3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.301 -2.226 2.333 1.00 0.00 H new ATOM 0 HE ARG A 63 16.332 -4.312 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.464 -3.464 5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.604 -5.076 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.509 -6.380 3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.757 -6.720 5.067 1.00 0.00 H new ATOM 956 N ARG A 64 14.647 2.697 4.539 1.00 0.00 N ATOM 957 CA ARG A 64 13.923 3.805 5.150 1.00 0.00 C ATOM 958 C ARG A 64 13.301 4.701 4.083 1.00 0.00 C ATOM 959 O ARG A 64 12.088 4.687 3.877 1.00 0.00 O ATOM 960 CB ARG A 64 14.859 4.626 6.039 1.00 0.00 C ATOM 961 CG ARG A 64 15.447 3.836 7.197 1.00 0.00 C ATOM 962 CD ARG A 64 16.761 3.176 6.810 1.00 0.00 C ATOM 963 NE ARG A 64 17.841 4.149 6.668 1.00 0.00 N ATOM 964 CZ ARG A 64 18.965 3.907 6.001 1.00 0.00 C ATOM 965 NH1 ARG A 64 19.155 2.731 5.420 1.00 0.00 N ATOM 966 NH2 ARG A 64 19.901 4.843 5.916 1.00 0.00 N ATOM 0 H ARG A 64 15.619 2.904 4.310 1.00 0.00 H new ATOM 0 HA ARG A 64 13.123 3.390 5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.672 5.021 5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.313 5.482 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.608 4.499 8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.736 3.074 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 64 17.033 2.440 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.633 2.637 5.871 1.00 0.00 H new ATOM 0 HE ARG A 64 17.726 5.064 7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.438 2.009 5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.019 2.548 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.758 5.749 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.763 4.657 5.404 1.00 0.00 H new ATOM 980 N GLN A 65 14.141 5.481 3.409 1.00 0.00 N ATOM 981 CA GLN A 65 13.673 6.384 2.365 1.00 0.00 C ATOM 982 C GLN A 65 12.516 5.765 1.588 1.00 0.00 C ATOM 983 O GLN A 65 11.503 6.418 1.339 1.00 0.00 O ATOM 984 CB GLN A 65 14.817 6.731 1.410 1.00 0.00 C ATOM 985 CG GLN A 65 14.660 8.086 0.739 1.00 0.00 C ATOM 986 CD GLN A 65 15.304 9.207 1.530 1.00 0.00 C ATOM 987 OE1 GLN A 65 15.252 9.225 2.760 1.00 0.00 O ATOM 988 NE2 GLN A 65 15.918 10.151 0.826 1.00 0.00 N ATOM 0 H GLN A 65 15.148 5.505 3.568 1.00 0.00 H new ATOM 0 HA GLN A 65 13.318 7.297 2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.757 6.715 1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.885 5.960 0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.103 8.048 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.600 8.302 0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.937 10.097 -0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.371 10.930 1.304 1.00 0.00 H new ATOM 997 N ASN A 66 12.674 4.502 1.207 1.00 0.00 N ATOM 998 CA ASN A 66 11.643 3.795 0.456 1.00 0.00 C ATOM 999 C ASN A 66 10.291 3.902 1.156 1.00 0.00 C ATOM 1000 O ASN A 66 9.290 4.275 0.543 1.00 0.00 O ATOM 1001 CB ASN A 66 12.025 2.323 0.286 1.00 0.00 C ATOM 1002 CG ASN A 66 13.053 2.117 -0.810 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.635 0.924 -0.858 1.00 0.00 O flip ATOM 1004 ND2 ASN A 66 13.321 3.019 -1.604 1.00 0.00 N flip ATOM 0 H ASN A 66 13.506 3.947 1.406 1.00 0.00 H new ATOM 0 HA ASN A 66 11.562 4.259 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.420 1.942 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.131 1.742 0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.849 3.920 -1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.015 2.865 -2.336 1.00 0.00 H new ATOM 1011 N PHE A 67 10.269 3.574 2.443 1.00 0.00 N ATOM 1012 CA PHE A 67 9.041 3.633 3.227 1.00 0.00 C ATOM 1013 C PHE A 67 8.591 5.078 3.424 1.00 0.00 C ATOM 1014 O PHE A 67 7.544 5.486 2.924 1.00 0.00 O ATOM 1015 CB PHE A 67 9.245 2.960 4.586 1.00 0.00 C ATOM 1016 CG PHE A 67 9.034 1.474 4.556 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.968 0.640 3.963 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.902 0.910 5.122 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.776 -0.728 3.934 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.705 -0.458 5.097 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.644 -1.278 4.502 1.00 0.00 C ATOM 0 H PHE A 67 11.088 3.264 2.966 1.00 0.00 H new ATOM 0 HA PHE A 67 8.264 3.100 2.679 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.255 3.168 4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.559 3.402 5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.856 1.064 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.165 1.547 5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.511 -1.367 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.818 -0.885 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.493 -2.347 4.481 1.00 0.00 H new ATOM 1031 N GLU A 68 9.390 5.845 4.158 1.00 0.00 N ATOM 1032 CA GLU A 68 9.074 7.244 4.423 1.00 0.00 C ATOM 1033 C GLU A 68 8.490 7.914 3.183 1.00 0.00 C ATOM 1034 O GLU A 68 7.344 8.365 3.188 1.00 0.00 O ATOM 1035 CB GLU A 68 10.325 7.996 4.881 1.00 0.00 C ATOM 1036 CG GLU A 68 10.958 7.417 6.135 1.00 0.00 C ATOM 1037 CD GLU A 68 10.362 7.990 7.407 1.00 0.00 C ATOM 1038 OE1 GLU A 68 9.119 7.989 7.531 1.00 0.00 O ATOM 1039 OE2 GLU A 68 11.137 8.439 8.276 1.00 0.00 O ATOM 0 H GLU A 68 10.261 5.522 4.580 1.00 0.00 H new ATOM 0 HA GLU A 68 8.329 7.277 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.060 7.987 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.065 9.039 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.832 6.334 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.030 7.613 6.120 1.00 0.00 H new ATOM 1046 N VAL A 69 9.286 7.975 2.120 1.00 0.00 N ATOM 1047 CA VAL A 69 8.849 8.589 0.872 1.00 0.00 C ATOM 1048 C VAL A 69 7.437 8.146 0.506 1.00 0.00 C ATOM 1049 O VAL A 69 6.561 8.974 0.258 1.00 0.00 O ATOM 1050 CB VAL A 69 9.801 8.242 -0.288 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.298 8.843 -1.591 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.212 8.720 0.020 1.00 0.00 C ATOM 0 H VAL A 69 10.237 7.607 2.098 1.00 0.00 H new ATOM 0 HA VAL A 69 8.859 9.667 1.030 1.00 0.00 H new ATOM 0 HB VAL A 69 9.826 7.158 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.984 8.587 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.308 8.446 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.241 9.927 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.871 8.467 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.207 9.801 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.570 8.236 0.929 1.00 0.00 H new ATOM 1062 N ALA A 70 7.224 6.835 0.475 1.00 0.00 N ATOM 1063 CA ALA A 70 5.917 6.281 0.142 1.00 0.00 C ATOM 1064 C ALA A 70 4.823 6.897 1.008 1.00 0.00 C ATOM 1065 O ALA A 70 3.736 7.209 0.523 1.00 0.00 O ATOM 1066 CB ALA A 70 5.930 4.768 0.301 1.00 0.00 C ATOM 0 H ALA A 70 7.939 6.136 0.676 1.00 0.00 H new ATOM 0 HA ALA A 70 5.700 6.524 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.948 4.367 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.679 4.339 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.173 4.513 1.333 1.00 0.00 H new ATOM 1072 N PHE A 71 5.118 7.067 2.293 1.00 0.00 N ATOM 1073 CA PHE A 71 4.158 7.644 3.227 1.00 0.00 C ATOM 1074 C PHE A 71 3.958 9.132 2.952 1.00 0.00 C ATOM 1075 O PHE A 71 2.876 9.560 2.551 1.00 0.00 O ATOM 1076 CB PHE A 71 4.630 7.439 4.668 1.00 0.00 C ATOM 1077 CG PHE A 71 4.551 6.011 5.127 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.326 5.375 5.245 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.701 5.306 5.442 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.250 4.061 5.667 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.631 3.992 5.864 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.404 3.369 5.978 1.00 0.00 C ATOM 0 H PHE A 71 6.013 6.814 2.711 1.00 0.00 H new ATOM 0 HA PHE A 71 3.204 7.136 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.660 7.785 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.027 8.059 5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.420 5.912 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.663 5.789 5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.289 3.576 5.753 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.535 3.453 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.347 2.343 6.310 1.00 0.00 H new ATOM 1092 N SER A 72 5.010 9.914 3.171 1.00 0.00 N ATOM 1093 CA SER A 72 4.950 11.355 2.952 1.00 0.00 C ATOM 1094 C SER A 72 4.292 11.673 1.613 1.00 0.00 C ATOM 1095 O SER A 72 3.289 12.385 1.555 1.00 0.00 O ATOM 1096 CB SER A 72 6.355 11.958 2.999 1.00 0.00 C ATOM 1097 OG SER A 72 6.301 13.374 3.012 1.00 0.00 O ATOM 0 H SER A 72 5.914 9.575 3.500 1.00 0.00 H new ATOM 0 HA SER A 72 4.347 11.794 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.877 11.603 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.928 11.621 2.136 1.00 0.00 H new ATOM 0 HG SER A 72 7.211 13.736 3.044 1.00 0.00 H new ATOM 1103 N SER A 73 4.864 11.141 0.538 1.00 0.00 N ATOM 1104 CA SER A 73 4.337 11.371 -0.802 1.00 0.00 C ATOM 1105 C SER A 73 2.811 11.368 -0.793 1.00 0.00 C ATOM 1106 O SER A 73 2.174 12.206 -1.431 1.00 0.00 O ATOM 1107 CB SER A 73 4.854 10.302 -1.767 1.00 0.00 C ATOM 1108 OG SER A 73 6.223 10.507 -2.068 1.00 0.00 O ATOM 0 H SER A 73 5.693 10.547 0.569 1.00 0.00 H new ATOM 0 HA SER A 73 4.680 12.350 -1.137 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.719 9.314 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.269 10.324 -2.686 1.00 0.00 H new ATOM 0 HG SER A 73 6.463 9.992 -2.866 1.00 0.00 H new ATOM 1114 N ALA A 74 2.231 10.419 -0.066 1.00 0.00 N ATOM 1115 CA ALA A 74 0.781 10.307 0.029 1.00 0.00 C ATOM 1116 C ALA A 74 0.191 11.472 0.816 1.00 0.00 C ATOM 1117 O ALA A 74 -0.618 12.238 0.295 1.00 0.00 O ATOM 1118 CB ALA A 74 0.395 8.983 0.672 1.00 0.00 C ATOM 0 H ALA A 74 2.744 9.716 0.466 1.00 0.00 H new ATOM 0 HA ALA A 74 0.372 10.341 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.691 8.913 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.777 8.160 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.822 8.926 1.673 1.00 0.00 H new ATOM 1124 N GLU A 75 0.601 11.598 2.074 1.00 0.00 N ATOM 1125 CA GLU A 75 0.111 12.670 2.933 1.00 0.00 C ATOM 1126 C GLU A 75 0.181 14.016 2.218 1.00 0.00 C ATOM 1127 O GLU A 75 -0.499 14.970 2.596 1.00 0.00 O ATOM 1128 CB GLU A 75 0.921 12.726 4.230 1.00 0.00 C ATOM 1129 CG GLU A 75 0.377 13.717 5.245 1.00 0.00 C ATOM 1130 CD GLU A 75 1.281 13.869 6.453 1.00 0.00 C ATOM 1131 OE1 GLU A 75 1.436 12.883 7.205 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.832 14.972 6.648 1.00 0.00 O ATOM 0 H GLU A 75 1.271 10.972 2.521 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.931 12.460 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.941 11.733 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.952 12.990 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.249 14.688 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.610 13.391 5.573 1.00 0.00 H new ATOM 1139 N THR A 76 1.010 14.086 1.181 1.00 0.00 N ATOM 1140 CA THR A 76 1.172 15.314 0.413 1.00 0.00 C ATOM 1141 C THR A 76 -0.179 15.933 0.074 1.00 0.00 C ATOM 1142 O THR A 76 -0.482 17.052 0.489 1.00 0.00 O ATOM 1143 CB THR A 76 1.950 15.062 -0.892 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.170 14.367 -0.609 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.260 16.373 -1.599 1.00 0.00 C ATOM 0 H THR A 76 1.580 13.306 0.854 1.00 0.00 H new ATOM 0 HA THR A 76 1.739 16.005 1.038 1.00 0.00 H new ATOM 0 HB THR A 76 1.328 14.452 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.730 14.349 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.810 16.170 -2.518 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.329 16.886 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.864 17.004 -0.947 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.989 15.198 -0.682 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.310 15.675 -1.075 1.00 0.00 C ATOM 1155 C HIS A 77 -3.405 14.799 -0.474 1.00 0.00 C ATOM 1156 O HIS A 77 -4.531 15.250 -0.268 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.435 15.695 -2.599 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.603 14.654 -3.282 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.805 14.926 -4.373 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.445 13.335 -3.022 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.194 13.819 -4.756 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.565 12.839 -3.952 1.00 0.00 N ATOM 0 H HIS A 77 -0.754 14.270 -1.034 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.431 16.689 -0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.480 15.549 -2.871 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.144 16.679 -2.966 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.922 12.777 -2.230 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.492 13.730 -5.585 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.249 11.871 -4.012 1.00 0.00 H new ATOM 1171 N ALA A 78 -3.067 13.544 -0.196 1.00 0.00 N ATOM 1172 CA ALA A 78 -4.020 12.606 0.382 1.00 0.00 C ATOM 1173 C ALA A 78 -4.155 12.816 1.886 1.00 0.00 C ATOM 1174 O ALA A 78 -5.231 12.631 2.455 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.600 11.174 0.083 1.00 0.00 C ATOM 0 H ALA A 78 -2.139 13.154 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.993 12.790 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.321 10.484 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.563 11.023 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.614 10.987 0.509 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.057 13.204 2.525 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.052 13.440 3.964 1.00 0.00 C ATOM 1183 C ASP A 79 -3.448 12.177 4.723 1.00 0.00 C ATOM 1184 O ASP A 79 -4.279 12.221 5.631 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.006 14.582 4.318 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.560 15.349 5.548 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.797 14.857 6.671 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.975 16.441 5.387 1.00 0.00 O ATOM 0 H ASP A 79 -2.158 13.362 2.069 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.040 13.717 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.078 15.267 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.004 14.178 4.487 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.848 11.054 4.346 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.139 9.778 4.990 1.00 0.00 C ATOM 1195 C CYS A 80 -2.394 9.656 6.316 1.00 0.00 C ATOM 1196 O CYS A 80 -1.197 9.929 6.411 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.757 8.619 4.068 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.956 6.985 4.816 1.00 0.00 S ATOM 0 H CYS A 80 -2.157 11.001 3.598 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.210 9.736 5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.366 8.670 3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.719 8.741 3.759 1.00 0.00 H new ATOM 0 HG CYS A 80 -2.610 6.070 3.959 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.118 9.238 7.365 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.547 9.072 8.704 1.00 0.00 C ATOM 1206 C PRO A 81 -1.579 7.896 8.780 1.00 0.00 C ATOM 1207 O PRO A 81 -1.993 6.738 8.759 1.00 0.00 O ATOM 1208 CB PRO A 81 -3.774 8.811 9.583 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.789 8.239 8.655 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.550 8.895 7.323 1.00 0.00 C ATOM 0 HA PRO A 81 -1.964 9.941 9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.542 8.118 10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.133 9.731 10.045 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.684 7.157 8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.800 8.438 9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.778 8.222 6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.172 9.781 7.194 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.289 8.203 8.868 1.00 0.00 N ATOM 1219 CA GLN A 82 0.738 7.171 8.946 1.00 0.00 C ATOM 1220 C GLN A 82 0.429 6.179 10.063 1.00 0.00 C ATOM 1221 O GLN A 82 0.370 6.548 11.236 1.00 0.00 O ATOM 1222 CB GLN A 82 2.112 7.805 9.177 1.00 0.00 C ATOM 1223 CG GLN A 82 2.675 8.500 7.948 1.00 0.00 C ATOM 1224 CD GLN A 82 2.001 9.830 7.670 1.00 0.00 C ATOM 1225 OE1 GLN A 82 1.261 10.350 8.505 1.00 0.00 O ATOM 1226 NE2 GLN A 82 2.256 10.389 6.493 1.00 0.00 N ATOM 0 H GLN A 82 0.070 9.158 8.887 1.00 0.00 H new ATOM 0 HA GLN A 82 0.749 6.632 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.038 8.527 9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.810 7.032 9.499 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.745 8.660 8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.558 7.849 7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.876 9.923 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.832 11.285 6.251 1.00 0.00 H new ATOM 1235 N LEU A 83 0.232 4.920 9.690 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.072 3.873 10.660 1.00 0.00 C ATOM 1237 C LEU A 83 1.174 3.056 10.988 1.00 0.00 C ATOM 1238 O LEU A 83 1.502 2.846 12.156 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.171 2.955 10.122 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.401 3.651 9.538 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.272 2.655 8.789 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.197 4.338 10.638 1.00 0.00 C ATOM 0 H LEU A 83 0.277 4.599 8.723 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.422 4.351 11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.739 2.317 9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.498 2.301 10.930 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.065 4.411 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.143 3.168 8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.699 2.209 7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.600 1.872 9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.069 4.828 10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.523 3.597 11.368 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.570 5.081 11.131 1.00 0.00 H new ATOM 1254 N LEU A 84 1.866 2.600 9.950 1.00 0.00 N ATOM 1255 CA LEU A 84 3.078 1.807 10.127 1.00 0.00 C ATOM 1256 C LEU A 84 4.260 2.696 10.498 1.00 0.00 C ATOM 1257 O LEU A 84 4.504 3.720 9.860 1.00 0.00 O ATOM 1258 CB LEU A 84 3.392 1.028 8.849 1.00 0.00 C ATOM 1259 CG LEU A 84 2.268 0.144 8.307 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.375 0.010 6.796 1.00 0.00 C ATOM 1261 CD2 LEU A 84 2.301 -1.226 8.970 1.00 0.00 C ATOM 0 H LEU A 84 1.609 2.766 8.977 1.00 0.00 H new ATOM 0 HA LEU A 84 2.907 1.103 10.941 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.673 1.740 8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.263 0.400 9.035 1.00 0.00 H new ATOM 0 HG LEU A 84 1.314 0.617 8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.567 -0.623 6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.301 0.996 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.334 -0.440 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.494 -1.842 8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.258 -1.706 8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.174 -1.112 10.047 1.00 0.00 H new ATOM 1273 N ASP A 85 4.992 2.297 11.532 1.00 0.00 N ATOM 1274 CA ASP A 85 6.152 3.056 11.987 1.00 0.00 C ATOM 1275 C ASP A 85 7.418 2.591 11.274 1.00 0.00 C ATOM 1276 O ASP A 85 8.126 1.706 11.755 1.00 0.00 O ATOM 1277 CB ASP A 85 6.321 2.911 13.500 1.00 0.00 C ATOM 1278 CG ASP A 85 4.994 2.903 14.233 1.00 0.00 C ATOM 1279 OD1 ASP A 85 4.311 1.858 14.212 1.00 0.00 O ATOM 1280 OD2 ASP A 85 4.638 3.943 14.827 1.00 0.00 O ATOM 0 H ASP A 85 4.803 1.452 12.071 1.00 0.00 H new ATOM 0 HA ASP A 85 5.986 4.106 11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.857 1.987 13.716 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.934 3.731 13.874 1.00 0.00 H new ATOM 1285 N THR A 86 7.697 3.194 10.122 1.00 0.00 N ATOM 1286 CA THR A 86 8.877 2.842 9.342 1.00 0.00 C ATOM 1287 C THR A 86 10.040 2.455 10.247 1.00 0.00 C ATOM 1288 O THR A 86 10.602 1.368 10.120 1.00 0.00 O ATOM 1289 CB THR A 86 9.315 4.003 8.430 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.287 4.292 7.475 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.607 3.663 7.703 1.00 0.00 C ATOM 0 H THR A 86 7.122 3.928 9.709 1.00 0.00 H new ATOM 0 HA THR A 86 8.602 1.988 8.723 1.00 0.00 H new ATOM 0 HB THR A 86 9.487 4.880 9.054 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.573 5.032 6.900 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.896 4.498 7.065 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.395 3.473 8.431 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.457 2.774 7.091 1.00 0.00 H new ATOM 1299 N GLU A 87 10.395 3.351 11.162 1.00 0.00 N ATOM 1300 CA GLU A 87 11.493 3.102 12.089 1.00 0.00 C ATOM 1301 C GLU A 87 11.432 1.678 12.634 1.00 0.00 C ATOM 1302 O GLU A 87 12.443 0.978 12.686 1.00 0.00 O ATOM 1303 CB GLU A 87 11.452 4.104 13.244 1.00 0.00 C ATOM 1304 CG GLU A 87 11.990 5.478 12.878 1.00 0.00 C ATOM 1305 CD GLU A 87 13.501 5.498 12.754 1.00 0.00 C ATOM 1306 OE1 GLU A 87 14.045 4.674 11.990 1.00 0.00 O ATOM 1307 OE2 GLU A 87 14.140 6.339 13.421 1.00 0.00 O ATOM 0 H GLU A 87 9.939 4.255 11.281 1.00 0.00 H new ATOM 0 HA GLU A 87 12.429 3.225 11.545 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.423 4.206 13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.030 3.707 14.079 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.547 5.798 11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.682 6.199 13.636 1.00 0.00 H new ATOM 1314 N ASP A 88 10.239 1.257 13.041 1.00 0.00 N ATOM 1315 CA ASP A 88 10.044 -0.083 13.582 1.00 0.00 C ATOM 1316 C ASP A 88 9.936 -1.111 12.460 1.00 0.00 C ATOM 1317 O ASP A 88 10.300 -2.274 12.634 1.00 0.00 O ATOM 1318 CB ASP A 88 8.789 -0.126 14.454 1.00 0.00 C ATOM 1319 CG ASP A 88 8.906 0.755 15.682 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.753 0.456 16.549 1.00 0.00 O ATOM 1321 OD2 ASP A 88 8.150 1.745 15.776 1.00 0.00 O ATOM 0 H ASP A 88 9.392 1.825 13.006 1.00 0.00 H new ATOM 0 HA ASP A 88 10.911 -0.331 14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.929 0.191 13.864 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.601 -1.154 14.765 1.00 0.00 H new ATOM 1326 N MET A 89 9.432 -0.675 11.311 1.00 0.00 N ATOM 1327 CA MET A 89 9.276 -1.558 10.161 1.00 0.00 C ATOM 1328 C MET A 89 10.631 -2.064 9.676 1.00 0.00 C ATOM 1329 O MET A 89 10.810 -3.258 9.436 1.00 0.00 O ATOM 1330 CB MET A 89 8.554 -0.830 9.026 1.00 0.00 C ATOM 1331 CG MET A 89 7.164 -0.343 9.403 1.00 0.00 C ATOM 1332 SD MET A 89 5.923 -1.648 9.317 1.00 0.00 S ATOM 1333 CE MET A 89 5.470 -1.570 7.585 1.00 0.00 C ATOM 0 H MET A 89 9.125 0.284 11.151 1.00 0.00 H new ATOM 0 HA MET A 89 8.678 -2.415 10.471 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.156 0.023 8.712 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.476 -1.498 8.169 1.00 0.00 H new ATOM 0 HG2 MET A 89 7.188 0.064 10.414 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.876 0.471 8.738 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.550 -2.132 7.424 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.316 -0.530 7.296 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.268 -2.000 6.980 1.00 0.00 H new ATOM 1343 N VAL A 90 11.583 -1.147 9.532 1.00 0.00 N ATOM 1344 CA VAL A 90 12.922 -1.500 9.076 1.00 0.00 C ATOM 1345 C VAL A 90 13.488 -2.664 9.882 1.00 0.00 C ATOM 1346 O VAL A 90 13.742 -3.741 9.343 1.00 0.00 O ATOM 1347 CB VAL A 90 13.884 -0.302 9.180 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.330 -0.772 9.125 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.601 0.706 8.076 1.00 0.00 C ATOM 0 H VAL A 90 11.451 -0.154 9.725 1.00 0.00 H new ATOM 0 HA VAL A 90 12.833 -1.795 8.031 1.00 0.00 H new ATOM 0 HB VAL A 90 13.722 0.189 10.140 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.995 0.088 9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.523 -1.453 9.954 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.509 -1.288 8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.290 1.546 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.734 0.229 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.576 1.066 8.166 1.00 0.00 H new ATOM 1359 N ARG A 91 13.683 -2.439 11.178 1.00 0.00 N ATOM 1360 CA ARG A 91 14.219 -3.469 12.059 1.00 0.00 C ATOM 1361 C ARG A 91 13.338 -4.715 12.039 1.00 0.00 C ATOM 1362 O ARG A 91 13.837 -5.840 11.987 1.00 0.00 O ATOM 1363 CB ARG A 91 14.336 -2.937 13.489 1.00 0.00 C ATOM 1364 CG ARG A 91 13.075 -2.252 13.989 1.00 0.00 C ATOM 1365 CD ARG A 91 13.245 -1.741 15.410 1.00 0.00 C ATOM 1366 NE ARG A 91 13.294 -2.830 16.382 1.00 0.00 N ATOM 1367 CZ ARG A 91 13.164 -2.653 17.692 1.00 0.00 C ATOM 1368 NH1 ARG A 91 12.979 -1.436 18.185 1.00 0.00 N ATOM 1369 NH2 ARG A 91 13.220 -3.694 18.512 1.00 0.00 N ATOM 0 H ARG A 91 13.478 -1.553 11.640 1.00 0.00 H new ATOM 0 HA ARG A 91 15.211 -3.741 11.697 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.579 -3.764 14.156 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.166 -2.232 13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.825 -1.421 13.330 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.240 -2.951 13.950 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.161 -1.154 15.477 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.420 -1.073 15.656 1.00 0.00 H new ATOM 0 HE ARG A 91 13.436 -3.779 16.036 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.936 -0.633 17.558 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.879 -1.303 19.191 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.363 -4.632 18.137 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.120 -3.557 19.518 1.00 0.00 H new ATOM 1383 N LEU A 92 12.027 -4.507 12.082 1.00 0.00 N ATOM 1384 CA LEU A 92 11.076 -5.613 12.069 1.00 0.00 C ATOM 1385 C LEU A 92 11.314 -6.522 10.868 1.00 0.00 C ATOM 1386 O LEU A 92 11.126 -6.114 9.722 1.00 0.00 O ATOM 1387 CB LEU A 92 9.643 -5.078 12.043 1.00 0.00 C ATOM 1388 CG LEU A 92 9.058 -4.660 13.393 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.848 -3.760 13.194 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.684 -5.886 14.215 1.00 0.00 C ATOM 0 H LEU A 92 11.598 -3.583 12.126 1.00 0.00 H new ATOM 0 HA LEU A 92 11.223 -6.197 12.977 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.609 -4.219 11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.998 -5.844 11.612 1.00 0.00 H new ATOM 0 HG LEU A 92 9.817 -4.099 13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.445 -3.472 14.165 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.146 -2.866 12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.085 -4.295 12.629 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.269 -5.570 15.172 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.942 -6.474 13.675 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.573 -6.493 14.387 1.00 0.00 H new ATOM 1402 N ARG A 93 11.725 -7.756 11.139 1.00 0.00 N ATOM 1403 CA ARG A 93 11.988 -8.724 10.080 1.00 0.00 C ATOM 1404 C ARG A 93 10.942 -8.616 8.974 1.00 0.00 C ATOM 1405 O ARG A 93 11.246 -8.814 7.798 1.00 0.00 O ATOM 1406 CB ARG A 93 11.999 -10.144 10.649 1.00 0.00 C ATOM 1407 CG ARG A 93 13.303 -10.513 11.338 1.00 0.00 C ATOM 1408 CD ARG A 93 14.333 -11.023 10.343 1.00 0.00 C ATOM 1409 NE ARG A 93 15.693 -10.932 10.868 1.00 0.00 N ATOM 1410 CZ ARG A 93 16.363 -9.791 10.979 1.00 0.00 C ATOM 1411 NH1 ARG A 93 15.802 -8.650 10.603 1.00 0.00 N ATOM 1412 NH2 ARG A 93 17.597 -9.789 11.467 1.00 0.00 N ATOM 0 H ARG A 93 11.883 -8.110 12.083 1.00 0.00 H new ATOM 0 HA ARG A 93 12.967 -8.503 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.180 -10.248 11.360 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.811 -10.852 9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.699 -9.642 11.860 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.114 -11.277 12.092 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.111 -12.060 10.090 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.261 -10.448 9.420 1.00 0.00 H new ATOM 0 HE ARG A 93 16.153 -11.792 11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.854 -8.647 10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.319 -7.775 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 93 18.032 -10.665 11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 93 18.111 -8.912 11.552 1.00 0.00 H new ATOM 1426 N GLU A 94 9.709 -8.301 9.360 1.00 0.00 N ATOM 1427 CA GLU A 94 8.619 -8.169 8.401 1.00 0.00 C ATOM 1428 C GLU A 94 7.432 -7.440 9.023 1.00 0.00 C ATOM 1429 O GLU A 94 7.121 -7.603 10.204 1.00 0.00 O ATOM 1430 CB GLU A 94 8.181 -9.547 7.900 1.00 0.00 C ATOM 1431 CG GLU A 94 7.655 -10.454 8.999 1.00 0.00 C ATOM 1432 CD GLU A 94 6.295 -10.022 9.513 1.00 0.00 C ATOM 1433 OE1 GLU A 94 5.535 -9.406 8.736 1.00 0.00 O ATOM 1434 OE2 GLU A 94 5.991 -10.299 10.692 1.00 0.00 O ATOM 0 H GLU A 94 9.441 -8.133 10.330 1.00 0.00 H new ATOM 0 HA GLU A 94 8.981 -7.582 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.407 -9.420 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.026 -10.033 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.589 -11.475 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.365 -10.465 9.826 1.00 0.00 H new ATOM 1441 N PRO A 95 6.752 -6.616 8.212 1.00 0.00 N ATOM 1442 CA PRO A 95 5.589 -5.846 8.661 1.00 0.00 C ATOM 1443 C PRO A 95 4.378 -6.731 8.937 1.00 0.00 C ATOM 1444 O PRO A 95 3.847 -7.372 8.030 1.00 0.00 O ATOM 1445 CB PRO A 95 5.308 -4.908 7.483 1.00 0.00 C ATOM 1446 CG PRO A 95 5.869 -5.613 6.297 1.00 0.00 C ATOM 1447 CD PRO A 95 7.067 -6.374 6.794 1.00 0.00 C ATOM 0 HA PRO A 95 5.782 -5.328 9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.239 -4.727 7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.782 -3.937 7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.133 -6.287 5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.153 -4.903 5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.205 -7.307 6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.985 -5.798 6.679 1.00 0.00 H new ATOM 1455 N ASP A 96 3.947 -6.761 10.193 1.00 0.00 N ATOM 1456 CA ASP A 96 2.798 -7.567 10.588 1.00 0.00 C ATOM 1457 C ASP A 96 1.602 -7.288 9.683 1.00 0.00 C ATOM 1458 O ASP A 96 1.103 -6.164 9.627 1.00 0.00 O ATOM 1459 CB ASP A 96 2.428 -7.286 12.045 1.00 0.00 C ATOM 1460 CG ASP A 96 3.646 -7.059 12.919 1.00 0.00 C ATOM 1461 OD1 ASP A 96 4.339 -8.048 13.239 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.906 -5.893 13.282 1.00 0.00 O ATOM 0 H ASP A 96 4.376 -6.236 10.955 1.00 0.00 H new ATOM 0 HA ASP A 96 3.070 -8.618 10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.783 -6.408 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.853 -8.124 12.439 1.00 0.00 H new ATOM 1467 N TRP A 97 1.149 -8.317 8.977 1.00 0.00 N ATOM 1468 CA TRP A 97 0.012 -8.182 8.073 1.00 0.00 C ATOM 1469 C TRP A 97 -1.157 -7.492 8.768 1.00 0.00 C ATOM 1470 O TRP A 97 -1.791 -6.602 8.201 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.424 -9.556 7.560 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.298 -10.300 8.522 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.914 -11.286 9.385 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.705 -10.119 8.719 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -1.997 -11.729 10.106 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -3.107 -11.028 9.716 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.663 -9.275 8.150 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -4.426 -11.117 10.154 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.972 -9.365 8.586 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -5.343 -10.279 9.581 1.00 0.00 C ATOM 0 H TRP A 97 1.551 -9.254 9.013 1.00 0.00 H new ATOM 0 HA TRP A 97 0.323 -7.568 7.228 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.957 -9.431 6.618 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.462 -10.154 7.348 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.093 -11.663 9.486 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -1.977 -12.461 10.816 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.386 -8.566 7.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.715 -11.823 10.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.721 -8.720 8.152 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.373 -10.323 9.902 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.437 -7.907 9.999 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.529 -7.328 10.772 1.00 0.00 C ATOM 1493 C LYS A 98 -2.618 -5.823 10.544 1.00 0.00 C ATOM 1494 O LYS A 98 -3.702 -5.282 10.321 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.335 -7.618 12.262 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.287 -9.100 12.592 1.00 0.00 C ATOM 1497 CD LYS A 98 -3.682 -9.684 12.740 1.00 0.00 C ATOM 1498 CE LYS A 98 -4.245 -9.436 14.131 1.00 0.00 C ATOM 1499 NZ LYS A 98 -3.661 -10.364 15.140 1.00 0.00 N ATOM 0 H LYS A 98 -0.922 -8.643 10.483 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.461 -7.784 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.410 -7.150 12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.148 -7.156 12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.751 -9.631 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.729 -9.250 13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.343 -9.243 11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.652 -10.756 12.544 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.044 -8.406 14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.328 -9.556 14.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.119 -10.209 16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.815 -11.347 14.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.640 -10.185 15.227 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.473 -5.152 10.599 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.422 -3.708 10.398 1.00 0.00 C ATOM 1515 C CYS A 99 -1.423 -3.366 8.912 1.00 0.00 C ATOM 1516 O CYS A 99 -2.290 -2.636 8.432 1.00 0.00 O ATOM 1517 CB CYS A 99 -0.179 -3.122 11.068 1.00 0.00 C ATOM 1518 SG CYS A 99 -0.193 -3.230 12.873 1.00 0.00 S ATOM 0 H CYS A 99 -0.567 -5.585 10.781 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.311 -3.271 10.854 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.703 -3.640 10.691 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.082 -2.076 10.778 1.00 0.00 H new ATOM 0 HG CYS A 99 0.900 -2.711 13.347 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.443 -3.897 8.187 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.329 -3.648 6.755 1.00 0.00 C ATOM 1526 C VAL A 100 -1.703 -3.581 6.098 1.00 0.00 C ATOM 1527 O VAL A 100 -2.069 -2.569 5.501 1.00 0.00 O ATOM 1528 CB VAL A 100 0.508 -4.738 6.060 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.576 -4.486 4.562 1.00 0.00 C ATOM 1530 CG2 VAL A 100 1.903 -4.802 6.662 1.00 0.00 C ATOM 0 H VAL A 100 0.284 -4.503 8.569 1.00 0.00 H new ATOM 0 HA VAL A 100 0.173 -2.687 6.640 1.00 0.00 H new ATOM 0 HB VAL A 100 0.023 -5.701 6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.172 -5.266 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.431 -4.495 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.037 -3.516 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.481 -5.577 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.399 -3.840 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.830 -5.035 7.724 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.461 -4.666 6.214 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.795 -4.733 5.629 1.00 0.00 C ATOM 1542 C TYR A 101 -4.577 -3.453 5.910 1.00 0.00 C ATOM 1543 O TYR A 101 -5.236 -2.906 5.025 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.556 -5.940 6.179 1.00 0.00 C ATOM 1545 CG TYR A 101 -6.057 -5.827 6.035 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.823 -5.197 7.008 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.709 -6.350 4.924 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.194 -5.092 6.880 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -8.080 -6.248 4.788 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.818 -5.619 5.769 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.184 -5.515 5.637 1.00 0.00 O ATOM 0 H TYR A 101 -2.174 -5.511 6.708 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.686 -4.842 4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.217 -6.838 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.309 -6.065 7.233 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.338 -4.782 7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.134 -6.844 4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.775 -4.600 7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.571 -6.659 3.918 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.402 -4.720 5.106 1.00 0.00 H new ATOM 1561 N THR A 102 -4.499 -2.980 7.150 1.00 0.00 N ATOM 1562 CA THR A 102 -5.199 -1.766 7.551 1.00 0.00 C ATOM 1563 C THR A 102 -4.821 -0.593 6.654 1.00 0.00 C ATOM 1564 O THR A 102 -5.688 0.068 6.081 1.00 0.00 O ATOM 1565 CB THR A 102 -4.893 -1.398 9.015 1.00 0.00 C ATOM 1566 OG1 THR A 102 -5.091 -2.538 9.858 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.780 -0.254 9.482 1.00 0.00 C ATOM 0 H THR A 102 -3.958 -3.420 7.894 1.00 0.00 H new ATOM 0 HA THR A 102 -6.265 -1.968 7.451 1.00 0.00 H new ATOM 0 HB THR A 102 -3.853 -1.078 9.077 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.290 -3.103 9.838 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.546 -0.012 10.519 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.605 0.621 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.826 -0.550 9.406 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.522 -0.339 6.536 1.00 0.00 N ATOM 1576 CA TYR A 103 -3.030 0.757 5.709 1.00 0.00 C ATOM 1577 C TYR A 103 -3.659 0.717 4.320 1.00 0.00 C ATOM 1578 O TYR A 103 -4.341 1.655 3.908 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.506 0.692 5.594 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.899 1.894 4.908 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.523 3.017 5.634 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.699 1.906 3.532 1.00 0.00 C ATOM 1583 CE1 TYR A 103 0.032 4.118 5.011 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.144 3.003 2.901 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.219 4.106 3.644 1.00 0.00 C ATOM 1586 OH TYR A 103 0.773 5.200 3.020 1.00 0.00 O ATOM 0 H TYR A 103 -2.791 -0.877 7.002 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.312 1.695 6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.078 0.600 6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.230 -0.208 5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.667 3.030 6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.982 1.044 2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.318 4.983 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.005 2.996 1.831 1.00 0.00 H new ATOM 0 HH TYR A 103 1.660 5.377 3.396 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.423 -0.377 3.603 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.967 -0.542 2.261 1.00 0.00 C ATOM 1598 C ILE A 104 -5.445 -0.169 2.217 1.00 0.00 C ATOM 1599 O ILE A 104 -5.948 0.294 1.194 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.800 -1.988 1.759 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.321 -2.382 1.755 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.397 -2.139 0.368 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.530 -1.748 0.632 1.00 0.00 C ATOM 0 H ILE A 104 -2.859 -1.162 3.929 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.406 0.127 1.609 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.333 -2.655 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.875 -2.098 2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.242 -3.466 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.271 -3.167 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.459 -1.895 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.890 -1.464 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.491 -2.072 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.951 -2.052 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.578 -0.663 0.721 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.135 -0.372 3.335 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.555 -0.055 3.424 1.00 0.00 C ATOM 1617 C GLN A 105 -7.767 1.437 3.661 1.00 0.00 C ATOM 1618 O GLN A 105 -8.568 2.075 2.980 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.209 -0.860 4.549 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.724 -0.738 4.582 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.404 -1.627 3.560 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.690 -2.794 3.827 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -10.666 -1.078 2.379 1.00 0.00 N ATOM 0 H GLN A 105 -5.734 -0.754 4.191 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.021 -0.323 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.940 -1.910 4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.805 -0.527 5.505 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.084 -0.995 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.005 0.299 4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.412 -0.107 2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.122 -1.628 1.651 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.042 1.985 4.631 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.152 3.402 4.958 1.00 0.00 C ATOM 1634 C GLU A 106 -6.948 4.265 3.715 1.00 0.00 C ATOM 1635 O GLU A 106 -7.746 5.157 3.427 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.128 3.782 6.030 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.458 5.076 6.754 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.914 5.157 7.170 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.735 5.644 6.365 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.232 4.733 8.301 1.00 0.00 O ATOM 0 H GLU A 106 -6.373 1.470 5.204 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.155 3.583 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.061 2.974 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.146 3.875 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.826 5.165 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.221 5.921 6.107 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.873 3.992 2.983 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.562 4.743 1.773 1.00 0.00 C ATOM 1649 C PHE A 107 -6.630 4.521 0.705 1.00 0.00 C ATOM 1650 O PHE A 107 -7.020 5.451 0.000 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.191 4.333 1.231 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.516 5.409 0.429 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.419 6.700 0.922 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.981 5.130 -0.818 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.799 7.693 0.187 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.359 6.118 -1.557 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.269 7.402 -1.055 1.00 0.00 C ATOM 0 H PHE A 107 -5.203 3.256 3.207 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.543 5.803 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.547 4.056 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.306 3.445 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.833 6.933 1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.051 4.129 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.729 8.695 0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.943 5.887 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.785 8.176 -1.632 1.00 0.00 H new ATOM 1667 N TYR A 108 -7.098 3.283 0.594 1.00 0.00 N ATOM 1668 CA TYR A 108 -8.118 2.937 -0.389 1.00 0.00 C ATOM 1669 C TYR A 108 -9.367 3.792 -0.200 1.00 0.00 C ATOM 1670 O TYR A 108 -10.226 3.859 -1.080 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.480 1.455 -0.279 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.402 0.974 -1.377 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.776 1.158 -1.287 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.898 0.337 -2.505 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.622 0.720 -2.287 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -9.737 -0.103 -3.510 1.00 0.00 C ATOM 1677 CZ TYR A 108 -11.098 0.090 -3.397 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.937 -0.347 -4.396 1.00 0.00 O ATOM 0 H TYR A 108 -6.787 2.502 1.172 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.712 3.132 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.565 0.863 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.954 1.276 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.190 1.652 -0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.833 0.184 -2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.688 0.870 -2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.329 -0.596 -4.380 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.409 -0.768 -5.106 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.461 4.446 0.953 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.604 5.297 1.259 1.00 0.00 C ATOM 1690 C ARG A 109 -10.337 6.739 0.838 1.00 0.00 C ATOM 1691 O ARG A 109 -11.248 7.452 0.415 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.923 5.242 2.754 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.310 5.757 3.100 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.862 5.078 4.344 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.487 3.795 4.035 1.00 0.00 N ATOM 1696 CZ ARG A 109 -14.281 3.143 4.877 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -14.547 3.652 6.072 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.813 1.979 4.524 1.00 0.00 N ATOM 0 H ARG A 109 -8.758 4.403 1.691 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.461 4.926 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.831 4.212 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.181 5.828 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.270 6.834 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.983 5.584 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.056 4.925 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -13.593 5.732 4.820 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.304 3.377 3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.142 4.547 6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.157 3.149 6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.612 1.584 3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.422 1.479 5.172 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.083 7.162 0.957 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.696 8.519 0.590 1.00 0.00 C ATOM 1714 C CYS A 110 -8.704 8.697 -0.924 1.00 0.00 C ATOM 1715 O CYS A 110 -9.139 9.729 -1.437 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.309 8.844 1.146 1.00 0.00 C ATOM 1717 SG CYS A 110 -5.944 8.272 0.107 1.00 0.00 S ATOM 0 H CYS A 110 -8.317 6.585 1.305 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.423 9.206 1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.225 9.923 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.211 8.396 2.135 1.00 0.00 H new ATOM 0 HG CYS A 110 -4.931 7.955 0.857 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.219 7.685 -1.636 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.169 7.729 -3.093 1.00 0.00 C ATOM 1725 C LEU A 111 -9.567 7.887 -3.682 1.00 0.00 C ATOM 1726 O LEU A 111 -9.810 8.771 -4.503 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.514 6.459 -3.639 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.115 6.144 -3.109 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.563 4.890 -3.770 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.181 7.324 -3.336 1.00 0.00 C ATOM 0 H LEU A 111 -7.855 6.824 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.572 8.593 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.164 5.614 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.460 6.540 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.186 5.963 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.567 4.682 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.220 4.047 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.506 5.042 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.190 7.082 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.116 7.536 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.568 8.200 -2.815 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.485 7.025 -3.254 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.860 7.071 -3.736 1.00 0.00 C ATOM 1744 C VAL A 112 -12.388 8.501 -3.756 1.00 0.00 C ATOM 1745 O VAL A 112 -13.104 8.895 -4.676 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.789 6.204 -2.866 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.224 6.294 -3.362 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.311 4.760 -2.851 1.00 0.00 C ATOM 0 H VAL A 112 -10.301 6.287 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.853 6.676 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.759 6.583 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.865 5.675 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.561 7.330 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.276 5.942 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.979 4.162 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.310 4.367 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.301 4.715 -2.443 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.030 9.272 -2.734 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.468 10.659 -2.634 1.00 0.00 C ATOM 1760 C GLN A 113 -11.926 11.486 -3.796 1.00 0.00 C ATOM 1761 O GLN A 113 -12.688 12.094 -4.548 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.014 11.265 -1.305 1.00 0.00 C ATOM 1763 CG GLN A 113 -12.563 10.541 -0.087 1.00 0.00 C ATOM 1764 CD GLN A 113 -12.182 11.217 1.215 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -11.644 12.325 1.218 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -12.460 10.553 2.331 1.00 0.00 N ATOM 0 H GLN A 113 -11.438 8.960 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.557 10.674 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.925 11.254 -1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.324 12.309 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.649 10.488 -0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.193 9.516 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.907 9.637 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.227 10.959 3.237 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.605 11.506 -3.936 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.960 12.257 -5.006 1.00 0.00 C ATOM 1777 C LYS A 114 -10.491 11.828 -6.370 1.00 0.00 C ATOM 1778 O LYS A 114 -10.509 12.614 -7.316 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.443 12.061 -4.952 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.727 13.087 -4.093 1.00 0.00 C ATOM 1781 CD LYS A 114 -8.236 13.070 -2.661 1.00 0.00 C ATOM 1782 CE LYS A 114 -7.479 12.060 -1.813 1.00 0.00 C ATOM 1783 NZ LYS A 114 -8.134 11.843 -0.493 1.00 0.00 N ATOM 0 H LYS A 114 -9.960 11.010 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.189 13.313 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.228 11.064 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.043 12.105 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.656 12.886 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.868 14.081 -4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.132 14.064 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.299 12.829 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.416 11.112 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.458 12.408 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.412 11.614 0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.638 12.707 -0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.810 11.056 -0.566 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.926 10.574 -6.463 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.453 10.063 -7.714 1.00 0.00 C ATOM 1799 C GLY A 115 -10.464 9.172 -8.439 1.00 0.00 C ATOM 1800 O GLY A 115 -10.537 9.014 -9.658 1.00 0.00 O ATOM 0 H GLY A 115 -10.922 9.904 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.367 9.502 -7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.725 10.899 -8.359 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.535 8.589 -7.689 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.525 7.710 -8.268 1.00 0.00 C ATOM 1806 C LEU A 116 -9.044 6.280 -8.375 1.00 0.00 C ATOM 1807 O LEU A 116 -8.689 5.547 -9.298 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.250 7.740 -7.423 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.377 8.987 -7.568 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.179 8.912 -6.635 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.922 9.155 -9.011 1.00 0.00 C ATOM 0 H LEU A 116 -9.460 8.709 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.298 8.070 -9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.530 7.637 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.648 6.868 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.972 9.857 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.570 9.808 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.525 8.841 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.582 8.033 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.302 10.047 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.344 8.282 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.793 9.256 -9.658 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.889 5.890 -7.425 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.460 4.549 -7.414 1.00 0.00 C ATOM 1825 C VAL A 117 -11.977 4.599 -7.271 1.00 0.00 C ATOM 1826 O VAL A 117 -12.503 4.771 -6.171 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.876 3.699 -6.270 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.544 2.334 -6.224 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.369 3.560 -6.427 1.00 0.00 C ATOM 0 H VAL A 117 -10.193 6.484 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.202 4.088 -8.367 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.075 4.205 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.118 1.748 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.615 2.458 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.379 1.816 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.972 2.957 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.145 3.076 -7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.908 4.548 -6.405 1.00 0.00 H new ATOM 1839 N LYS A 118 -12.677 4.448 -8.391 1.00 0.00 N ATOM 1840 CA LYS A 118 -14.135 4.474 -8.392 1.00 0.00 C ATOM 1841 C LYS A 118 -14.692 3.707 -9.587 1.00 0.00 C ATOM 1842 O LYS A 118 -14.207 3.849 -10.710 1.00 0.00 O ATOM 1843 CB LYS A 118 -14.640 5.919 -8.420 1.00 0.00 C ATOM 1844 CG LYS A 118 -16.097 6.062 -8.016 1.00 0.00 C ATOM 1845 CD LYS A 118 -16.605 7.474 -8.252 1.00 0.00 C ATOM 1846 CE LYS A 118 -16.786 7.761 -9.735 1.00 0.00 C ATOM 1847 NZ LYS A 118 -17.844 6.905 -10.340 1.00 0.00 N ATOM 0 H LYS A 118 -12.258 4.306 -9.310 1.00 0.00 H new ATOM 0 HA LYS A 118 -14.483 3.991 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -14.026 6.523 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.509 6.321 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -16.704 5.356 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -16.210 5.805 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -17.555 7.611 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -15.903 8.190 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -17.045 8.811 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -15.843 7.595 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -18.282 7.407 -11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -17.421 6.018 -10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -18.569 6.692 -9.625 1.00 0.00 H new ATOM 1861 N THR A 119 -15.714 2.894 -9.338 1.00 0.00 N ATOM 1862 CA THR A 119 -16.337 2.105 -10.393 1.00 0.00 C ATOM 1863 C THR A 119 -17.847 2.312 -10.416 1.00 0.00 C ATOM 1864 O THR A 119 -18.603 1.409 -10.776 1.00 0.00 O ATOM 1865 CB THR A 119 -16.039 0.603 -10.222 1.00 0.00 C ATOM 1866 OG1 THR A 119 -16.475 0.161 -8.932 1.00 0.00 O ATOM 1867 CG2 THR A 119 -14.552 0.325 -10.384 1.00 0.00 C ATOM 0 H THR A 119 -16.128 2.765 -8.415 1.00 0.00 H new ATOM 0 HA THR A 119 -15.912 2.447 -11.336 1.00 0.00 H new ATOM 0 HB THR A 119 -16.581 0.057 -10.994 1.00 0.00 H new ATOM 0 HG1 THR A 119 -16.284 -0.795 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.366 -0.742 -10.259 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.230 0.636 -11.378 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.994 0.881 -9.631 1.00 0.00 H new ATOM 1875 N LYS A 120 -18.281 3.507 -10.030 1.00 0.00 N ATOM 1876 CA LYS A 120 -19.702 3.835 -10.008 1.00 0.00 C ATOM 1877 C LYS A 120 -20.438 2.994 -8.970 1.00 0.00 C ATOM 1878 O LYS A 120 -21.635 2.737 -9.100 1.00 0.00 O ATOM 1879 CB LYS A 120 -20.319 3.613 -11.391 1.00 0.00 C ATOM 1880 CG LYS A 120 -21.691 4.244 -11.553 1.00 0.00 C ATOM 1881 CD LYS A 120 -22.037 4.457 -13.017 1.00 0.00 C ATOM 1882 CE LYS A 120 -23.478 4.915 -13.188 1.00 0.00 C ATOM 1883 NZ LYS A 120 -23.652 6.347 -12.817 1.00 0.00 N ATOM 0 H LYS A 120 -17.669 4.265 -9.728 1.00 0.00 H new ATOM 0 HA LYS A 120 -19.803 4.886 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -19.649 4.021 -12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -20.397 2.542 -11.577 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -22.443 3.606 -11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -21.717 5.200 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -21.365 5.200 -13.447 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -21.881 3.529 -13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -23.785 4.768 -14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -24.131 4.298 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -24.647 6.621 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -23.383 6.483 -11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -23.048 6.938 -13.423 1.00 0.00 H new ATOM 1897 N LYS A 121 -19.716 2.570 -7.939 1.00 0.00 N ATOM 1898 CA LYS A 121 -20.300 1.760 -6.876 1.00 0.00 C ATOM 1899 C LYS A 121 -19.591 2.011 -5.549 1.00 0.00 C ATOM 1900 O LYS A 121 -18.373 1.867 -5.448 1.00 0.00 O ATOM 1901 CB LYS A 121 -20.221 0.275 -7.236 1.00 0.00 C ATOM 1902 CG LYS A 121 -21.433 -0.231 -7.999 1.00 0.00 C ATOM 1903 CD LYS A 121 -22.622 -0.448 -7.078 1.00 0.00 C ATOM 1904 CE LYS A 121 -23.936 -0.390 -7.841 1.00 0.00 C ATOM 1905 NZ LYS A 121 -25.078 -0.036 -6.953 1.00 0.00 N ATOM 0 H LYS A 121 -18.724 2.774 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 121 -21.346 2.046 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -19.327 0.102 -7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -20.109 -0.307 -6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -21.700 0.485 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -21.184 -1.167 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -22.529 -1.415 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -22.621 0.311 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -23.858 0.344 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -24.126 -1.355 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -25.955 -0.007 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -25.169 -0.750 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -24.909 0.897 -6.525 1.00 0.00 H new ATOM 1919 N SER A 122 -20.362 2.385 -4.533 1.00 0.00 N ATOM 1920 CA SER A 122 -19.807 2.658 -3.212 1.00 0.00 C ATOM 1921 C SER A 122 -20.561 1.883 -2.136 1.00 0.00 C ATOM 1922 O SER A 122 -21.712 1.492 -2.328 1.00 0.00 O ATOM 1923 CB SER A 122 -19.863 4.157 -2.912 1.00 0.00 C ATOM 1924 OG SER A 122 -21.201 4.599 -2.769 1.00 0.00 O ATOM 0 H SER A 122 -21.373 2.506 -4.599 1.00 0.00 H new ATOM 0 HA SER A 122 -18.767 2.333 -3.207 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.307 4.369 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 122 -19.378 4.710 -3.716 1.00 0.00 H new ATOM 0 HG SER A 122 -21.209 5.560 -2.576 1.00 0.00 H new ATOM 1930 N SER A 123 -19.904 1.666 -1.001 1.00 0.00 N ATOM 1931 CA SER A 123 -20.509 0.936 0.106 1.00 0.00 C ATOM 1932 C SER A 123 -21.396 1.853 0.942 1.00 0.00 C ATOM 1933 O SER A 123 -20.920 2.546 1.840 1.00 0.00 O ATOM 1934 CB SER A 123 -19.425 0.313 0.988 1.00 0.00 C ATOM 1935 OG SER A 123 -19.977 -0.206 2.185 1.00 0.00 O ATOM 0 H SER A 123 -18.952 1.986 -0.824 1.00 0.00 H new ATOM 0 HA SER A 123 -21.128 0.142 -0.311 1.00 0.00 H new ATOM 0 HB2 SER A 123 -18.920 -0.484 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 123 -18.671 1.063 1.227 1.00 0.00 H new ATOM 0 HG SER A 123 -19.264 -0.600 2.730 1.00 0.00 H new ATOM 1941 N GLY A 124 -22.691 1.853 0.638 1.00 0.00 N ATOM 1942 CA GLY A 124 -23.625 2.689 1.370 1.00 0.00 C ATOM 1943 C GLY A 124 -23.275 4.161 1.284 1.00 0.00 C ATOM 1944 O GLY A 124 -22.582 4.604 0.367 1.00 0.00 O ATOM 0 H GLY A 124 -23.110 1.289 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -24.630 2.534 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -23.640 2.383 2.416 1.00 0.00 H new ATOM 1948 N PRO A 125 -23.762 4.946 2.256 1.00 0.00 N ATOM 1949 CA PRO A 125 -23.511 6.390 2.308 1.00 0.00 C ATOM 1950 C PRO A 125 -22.058 6.714 2.639 1.00 0.00 C ATOM 1951 O PRO A 125 -21.445 6.064 3.486 1.00 0.00 O ATOM 1952 CB PRO A 125 -24.435 6.870 3.430 1.00 0.00 C ATOM 1953 CG PRO A 125 -24.630 5.676 4.298 1.00 0.00 C ATOM 1954 CD PRO A 125 -24.595 4.486 3.380 1.00 0.00 C ATOM 0 HA PRO A 125 -23.698 6.871 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -23.988 7.694 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -25.384 7.231 3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -23.846 5.610 5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -25.580 5.731 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -24.163 3.613 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -25.595 4.204 3.050 1.00 0.00 H new ATOM 1962 N SER A 126 -21.513 7.722 1.967 1.00 0.00 N ATOM 1963 CA SER A 126 -20.131 8.130 2.188 1.00 0.00 C ATOM 1964 C SER A 126 -19.871 8.390 3.668 1.00 0.00 C ATOM 1965 O SER A 126 -20.365 9.365 4.235 1.00 0.00 O ATOM 1966 CB SER A 126 -19.811 9.386 1.374 1.00 0.00 C ATOM 1967 OG SER A 126 -20.518 10.509 1.870 1.00 0.00 O ATOM 0 H SER A 126 -22.008 8.272 1.264 1.00 0.00 H new ATOM 0 HA SER A 126 -19.482 7.318 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 126 -18.739 9.583 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 126 -20.071 9.221 0.328 1.00 0.00 H new ATOM 0 HG SER A 126 -20.628 10.424 2.840 1.00 0.00 H new ATOM 1973 N SER A 127 -19.092 7.510 4.290 1.00 0.00 N ATOM 1974 CA SER A 127 -18.769 7.641 5.705 1.00 0.00 C ATOM 1975 C SER A 127 -18.351 9.071 6.037 1.00 0.00 C ATOM 1976 O SER A 127 -17.619 9.707 5.280 1.00 0.00 O ATOM 1977 CB SER A 127 -17.651 6.669 6.087 1.00 0.00 C ATOM 1978 OG SER A 127 -17.968 5.346 5.692 1.00 0.00 O ATOM 0 H SER A 127 -18.673 6.699 3.835 1.00 0.00 H new ATOM 0 HA SER A 127 -19.663 7.399 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 127 -16.719 6.979 5.615 1.00 0.00 H new ATOM 0 HB3 SER A 127 -17.489 6.701 7.164 1.00 0.00 H new ATOM 0 HG SER A 127 -17.237 4.745 5.946 1.00 0.00 H new ATOM 1984 N GLY A 128 -18.822 9.569 7.177 1.00 0.00 N ATOM 1985 CA GLY A 128 -18.488 10.919 7.590 1.00 0.00 C ATOM 1986 C GLY A 128 -19.717 11.764 7.861 1.00 0.00 C ATOM 1987 O GLY A 128 -20.031 12.677 7.099 1.00 0.00 O ATOM 0 H GLY A 128 -19.429 9.061 7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -17.873 10.879 8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -17.888 11.395 6.814 1.00 0.00 H new TER 1991 GLY A 128