USER MOD reduce.3.24.130724 H: found=0, std=0, add=1174, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1175 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 119 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0) USER MOD Set 1.2: B 121 GLN : amide:sc= 1.03 K(o=2.2,f=-11!) USER MOD Set 2.1: B 99 LYS NZ :NH3+ -120:sc= 1.18 (180deg=-1.33) USER MOD Set 2.2: B 100 ASN : amide:sc= 0.183 K(o=1.4,f=-1.5) USER MOD Set 3.1: B 84 ASN : amide:sc= 1.63 K(o=2.8,f=0.067) USER MOD Set 3.2: B 86 SER OG : rot 55:sc= 1.19 USER MOD Set 4.1: B 69 SER OG : rot 180:sc= 1.05 USER MOD Set 4.2: B 80 LYS NZ :NH3+ -177:sc= 1.26 (180deg=0) USER MOD Set 5.1: B 59 TYR OH : rot 180:sc= 0.987 USER MOD Set 5.2: B 62 LYS NZ :NH3+ 164:sc= 1.17 (180deg=0) USER MOD Set 6.1: A 55 THR OG1 : rot -76:sc= 1.78 USER MOD Set 6.2: A 57 SER OG : rot 68:sc= 0.593 USER MOD Single : A 1 MET CE :methyl -128:sc= 0 (180deg=-0.326) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.962 (180deg=0.527) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.269 F(o=-1.4,f=-0.27) USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= 1.23 (180deg=0.875) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.201 USER MOD Single : A 9 THR OG1 : rot -37:sc= 0.773 USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= -0.186 (180deg=-0.892) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 20 SER OG : rot 180:sc= 0.091 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 25 ASN : amide:sc= 0.27 K(o=0.27,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= 0.158 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.86 (180deg=1.54) USER MOD Single : A 31 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= 1.19 (180deg=0.399) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-3.3!,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.213 K(o=0.21,f=-6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00471 K(o=-0.0047,f=-1) USER MOD Single : A 59 TYR OH : rot -123:sc= 1.23 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=8.7e-05) USER MOD Single : A 62 GLN : amide:sc=-0.00143 X(o=-0.0014,f=-0.0014) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -90:sc= 1.35 USER MOD Single : A 66 THR OG1 : rot 157:sc= 1.28 USER MOD Single : A 68 HIS : no HD1:sc= 0.744 K(o=0.74,f=-7.3!) USER MOD Single : B 56 LYS NZ :NH3+ -176:sc= 1.14 (180deg=1.09) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= 1.6 K(o=1.6,f=-5.8!) USER MOD Single : B 78 SER OG : rot 49:sc= 0.0931 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : B 92 THR OG1 : rot -41:sc= 0.976 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= -0.0872 K(o=-0.087,f=-0.62) USER MOD Single : B 98 GLN : amide:sc= -0.0361 K(o=-0.036,f=-1.1!) USER MOD Single : B 103 ASN : amide:sc= 0.106 K(o=0.11,f=-5.4!) USER MOD Single : B 105 MET CE :methyl -172:sc= 0 (180deg=-0.0881) USER MOD Single : B 109 GLN : amide:sc= -0.0071 X(o=-0.0071,f=-0.33) USER MOD Single : B 112 LYS NZ :NH3+ 164:sc= 1.37 (180deg=0.831) USER MOD Single : B 117 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : B 122 MET CE :methyl 164:sc= -0.0201 (180deg=-0.309) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.602 6.172 -8.890 1.00 1.33 N ATOM 2 CA MET A 1 -19.241 6.701 -9.124 1.00 1.28 C ATOM 3 C MET A 1 -18.216 5.582 -9.008 1.00 1.15 C ATOM 4 O MET A 1 -17.980 5.053 -7.922 1.00 1.19 O ATOM 5 CB MET A 1 -18.914 7.815 -8.125 1.00 1.53 C ATOM 6 CG MET A 1 -17.633 8.565 -8.457 1.00 1.58 C ATOM 7 SD MET A 1 -17.405 10.041 -7.443 1.00 1.88 S ATOM 8 CE MET A 1 -16.888 9.314 -5.889 1.00 1.44 C ATOM 0 H1 MET A 1 -21.202 6.922 -8.490 1.00 1.33 H new ATOM 0 H2 MET A 1 -21.008 5.848 -9.791 1.00 1.33 H new ATOM 0 H3 MET A 1 -20.555 5.374 -8.224 1.00 1.33 H new ATOM 0 HA MET A 1 -19.203 7.116 -10.131 1.00 1.28 H new ATOM 0 HB2 MET A 1 -19.743 8.522 -8.096 1.00 1.53 H new ATOM 0 HB3 MET A 1 -18.826 7.385 -7.127 1.00 1.53 H new ATOM 0 HG2 MET A 1 -16.781 7.899 -8.318 1.00 1.58 H new ATOM 0 HG3 MET A 1 -17.647 8.851 -9.509 1.00 1.58 H new ATOM 0 HE1 MET A 1 -17.510 9.700 -5.082 1.00 1.44 H new ATOM 0 HE2 MET A 1 -16.993 8.230 -5.942 1.00 1.44 H new ATOM 0 HE3 MET A 1 -15.846 9.569 -5.697 1.00 1.44 H new ATOM 20 N GLN A 2 -17.623 5.221 -10.132 1.00 1.16 N ATOM 21 CA GLN A 2 -16.630 4.161 -10.166 1.00 1.06 C ATOM 22 C GLN A 2 -15.292 4.657 -9.628 1.00 1.00 C ATOM 23 O GLN A 2 -14.840 5.754 -9.964 1.00 1.13 O ATOM 24 CB GLN A 2 -16.476 3.639 -11.597 1.00 1.18 C ATOM 25 CG GLN A 2 -15.361 2.620 -11.768 1.00 1.27 C ATOM 26 CD GLN A 2 -15.563 1.740 -12.984 1.00 1.41 C ATOM 27 OE1 GLN A 2 -16.137 0.566 -12.782 1.00 1.59 O flip ATOM 28 NE2 GLN A 2 -15.202 2.110 -14.100 1.00 1.75 N flip ATOM 0 H GLN A 2 -17.813 5.649 -11.038 1.00 1.16 H new ATOM 0 HA GLN A 2 -16.967 3.345 -9.527 1.00 1.06 H new ATOM 0 HB2 GLN A 2 -17.417 3.188 -11.911 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -16.289 4.482 -12.262 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -14.407 3.141 -11.854 1.00 1.27 H new ATOM 0 HG3 GLN A 2 -15.304 1.995 -10.877 1.00 1.27 H new ATOM 0 HE21 GLN A 2 -14.762 3.023 -14.217 1.00 1.75 H new ATOM 0 HE22 GLN A 2 -15.342 1.504 -14.908 1.00 1.75 H new ATOM 37 N ILE A 3 -14.668 3.850 -8.783 1.00 0.88 N ATOM 38 CA ILE A 3 -13.381 4.196 -8.207 1.00 0.82 C ATOM 39 C ILE A 3 -12.324 3.187 -8.633 1.00 0.81 C ATOM 40 O ILE A 3 -12.651 2.074 -9.063 1.00 0.85 O ATOM 41 CB ILE A 3 -13.426 4.278 -6.659 1.00 0.75 C ATOM 42 CG1 ILE A 3 -13.834 2.928 -6.043 1.00 0.68 C ATOM 43 CG2 ILE A 3 -14.361 5.398 -6.213 1.00 0.82 C ATOM 44 CD1 ILE A 3 -15.329 2.747 -5.861 1.00 1.10 C ATOM 0 H ILE A 3 -15.036 2.948 -8.481 1.00 0.88 H new ATOM 0 HA ILE A 3 -13.123 5.186 -8.582 1.00 0.82 H new ATOM 0 HB ILE A 3 -12.424 4.509 -6.298 1.00 0.75 H new ATOM 0 HG12 ILE A 3 -13.458 2.125 -6.677 1.00 0.68 H new ATOM 0 HG13 ILE A 3 -13.347 2.823 -5.073 1.00 0.68 H new ATOM 0 HG21 ILE A 3 -14.382 5.443 -5.124 1.00 0.82 H new ATOM 0 HG22 ILE A 3 -14.004 6.349 -6.608 1.00 0.82 H new ATOM 0 HG23 ILE A 3 -15.366 5.204 -6.587 1.00 0.82 H new ATOM 0 HD11 ILE A 3 -15.526 1.769 -5.422 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -15.712 3.525 -5.201 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -15.824 2.816 -6.829 1.00 1.10 H new ATOM 56 N PHE A 4 -11.063 3.578 -8.524 1.00 0.80 N ATOM 57 CA PHE A 4 -9.957 2.712 -8.903 1.00 0.81 C ATOM 58 C PHE A 4 -9.197 2.257 -7.668 1.00 0.75 C ATOM 59 O PHE A 4 -8.686 3.078 -6.902 1.00 0.82 O ATOM 60 CB PHE A 4 -9.020 3.438 -9.869 1.00 0.87 C ATOM 61 CG PHE A 4 -9.622 3.662 -11.227 1.00 0.99 C ATOM 62 CD1 PHE A 4 -10.391 4.787 -11.484 1.00 1.00 C ATOM 63 CD2 PHE A 4 -9.426 2.743 -12.247 1.00 1.30 C ATOM 64 CE1 PHE A 4 -10.949 4.991 -12.729 1.00 1.14 C ATOM 65 CE2 PHE A 4 -9.980 2.945 -13.494 1.00 1.45 C ATOM 66 CZ PHE A 4 -10.745 4.071 -13.736 1.00 1.30 C ATOM 0 H PHE A 4 -10.780 4.493 -8.175 1.00 0.80 H new ATOM 0 HA PHE A 4 -10.359 1.833 -9.406 1.00 0.81 H new ATOM 0 HB2 PHE A 4 -8.742 4.400 -9.440 1.00 0.87 H new ATOM 0 HB3 PHE A 4 -8.102 2.860 -9.977 1.00 0.87 H new ATOM 0 HD1 PHE A 4 -10.555 5.512 -10.700 1.00 1.00 H new ATOM 0 HD2 PHE A 4 -8.833 1.859 -12.063 1.00 1.30 H new ATOM 0 HE1 PHE A 4 -11.546 5.872 -12.915 1.00 1.14 H new ATOM 0 HE2 PHE A 4 -9.816 2.224 -14.281 1.00 1.45 H new ATOM 0 HZ PHE A 4 -11.182 4.230 -14.711 1.00 1.30 H new ATOM 76 N VAL A 5 -9.132 0.951 -7.467 1.00 0.66 N ATOM 77 CA VAL A 5 -8.442 0.394 -6.319 1.00 0.60 C ATOM 78 C VAL A 5 -7.246 -0.454 -6.752 1.00 0.60 C ATOM 79 O VAL A 5 -7.373 -1.365 -7.571 1.00 0.67 O ATOM 80 CB VAL A 5 -9.401 -0.438 -5.431 1.00 0.60 C ATOM 81 CG1 VAL A 5 -10.143 -1.489 -6.251 1.00 0.71 C ATOM 82 CG2 VAL A 5 -8.650 -1.086 -4.277 1.00 0.56 C ATOM 0 H VAL A 5 -9.550 0.257 -8.086 1.00 0.66 H new ATOM 0 HA VAL A 5 -8.073 1.231 -5.726 1.00 0.60 H new ATOM 0 HB VAL A 5 -10.141 0.245 -5.014 1.00 0.60 H new ATOM 0 HG11 VAL A 5 -10.808 -2.056 -5.599 1.00 0.71 H new ATOM 0 HG12 VAL A 5 -10.729 -0.998 -7.028 1.00 0.71 H new ATOM 0 HG13 VAL A 5 -9.423 -2.165 -6.712 1.00 0.71 H new ATOM 0 HG21 VAL A 5 -9.346 -1.664 -3.669 1.00 0.56 H new ATOM 0 HG22 VAL A 5 -7.877 -1.746 -4.671 1.00 0.56 H new ATOM 0 HG23 VAL A 5 -8.188 -0.312 -3.663 1.00 0.56 H new ATOM 92 N LYS A 6 -6.082 -0.125 -6.214 1.00 0.58 N ATOM 93 CA LYS A 6 -4.860 -0.852 -6.525 1.00 0.63 C ATOM 94 C LYS A 6 -4.590 -1.904 -5.461 1.00 0.62 C ATOM 95 O LYS A 6 -4.487 -1.582 -4.278 1.00 0.59 O ATOM 96 CB LYS A 6 -3.656 0.093 -6.584 1.00 0.69 C ATOM 97 CG LYS A 6 -3.779 1.233 -7.580 1.00 1.21 C ATOM 98 CD LYS A 6 -2.554 2.134 -7.513 1.00 1.24 C ATOM 99 CE LYS A 6 -2.686 3.352 -8.410 1.00 1.27 C ATOM 100 NZ LYS A 6 -1.555 4.300 -8.225 1.00 1.38 N ATOM 0 H LYS A 6 -5.957 0.645 -5.556 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.998 -1.324 -7.498 1.00 0.63 H new ATOM 0 HB2 LYS A 6 -3.496 0.514 -5.592 1.00 0.69 H new ATOM 0 HB3 LYS A 6 -2.768 -0.490 -6.830 1.00 0.69 H new ATOM 0 HG2 LYS A 6 -3.889 0.833 -8.588 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -4.677 1.814 -7.368 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -2.400 2.458 -6.484 1.00 1.24 H new ATOM 0 HD3 LYS A 6 -1.671 1.565 -7.804 1.00 1.24 H new ATOM 0 HE2 LYS A 6 -2.726 3.033 -9.452 1.00 1.27 H new ATOM 0 HE3 LYS A 6 -3.626 3.861 -8.196 1.00 1.27 H new ATOM 0 HZ1 LYS A 6 -1.913 5.276 -8.245 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -1.096 4.119 -7.309 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -0.863 4.169 -8.991 1.00 1.38 H new ATOM 114 N THR A 7 -4.485 -3.154 -5.876 1.00 0.66 N ATOM 115 CA THR A 7 -4.199 -4.236 -4.952 1.00 0.67 C ATOM 116 C THR A 7 -2.716 -4.214 -4.575 1.00 0.73 C ATOM 117 O THR A 7 -1.940 -3.458 -5.160 1.00 0.74 O ATOM 118 CB THR A 7 -4.554 -5.599 -5.576 1.00 0.71 C ATOM 119 OG1 THR A 7 -5.564 -5.420 -6.573 1.00 0.96 O ATOM 120 CG2 THR A 7 -5.046 -6.578 -4.523 1.00 0.94 C ATOM 0 H THR A 7 -4.594 -3.445 -6.848 1.00 0.66 H new ATOM 0 HA THR A 7 -4.807 -4.096 -4.059 1.00 0.67 H new ATOM 0 HB THR A 7 -3.652 -6.012 -6.028 1.00 0.71 H new ATOM 0 HG1 THR A 7 -5.902 -6.295 -6.857 1.00 0.96 H new ATOM 0 HG21 THR A 7 -5.288 -7.530 -4.996 1.00 0.94 H new ATOM 0 HG22 THR A 7 -4.267 -6.732 -3.777 1.00 0.94 H new ATOM 0 HG23 THR A 7 -5.937 -6.176 -4.040 1.00 0.94 H new ATOM 128 N LEU A 8 -2.323 -5.039 -3.610 1.00 0.81 N ATOM 129 CA LEU A 8 -0.930 -5.099 -3.168 1.00 0.90 C ATOM 130 C LEU A 8 -0.008 -5.546 -4.304 1.00 0.96 C ATOM 131 O LEU A 8 1.195 -5.310 -4.267 1.00 1.02 O ATOM 132 CB LEU A 8 -0.792 -6.041 -1.969 1.00 0.98 C ATOM 133 CG LEU A 8 0.533 -5.937 -1.204 1.00 1.11 C ATOM 134 CD1 LEU A 8 0.726 -4.534 -0.650 1.00 1.20 C ATOM 135 CD2 LEU A 8 0.584 -6.967 -0.087 1.00 1.24 C ATOM 0 H LEU A 8 -2.948 -5.677 -3.117 1.00 0.81 H new ATOM 0 HA LEU A 8 -0.630 -4.096 -2.865 1.00 0.90 H new ATOM 0 HB2 LEU A 8 -1.609 -5.843 -1.276 1.00 0.98 H new ATOM 0 HB3 LEU A 8 -0.912 -7.067 -2.318 1.00 0.98 H new ATOM 0 HG LEU A 8 1.347 -6.142 -1.899 1.00 1.11 H new ATOM 0 HD11 LEU A 8 1.672 -4.483 -0.111 1.00 1.20 H new ATOM 0 HD12 LEU A 8 0.737 -3.817 -1.471 1.00 1.20 H new ATOM 0 HD13 LEU A 8 -0.092 -4.295 0.030 1.00 1.20 H new ATOM 0 HD21 LEU A 8 1.531 -6.879 0.446 1.00 1.24 H new ATOM 0 HD22 LEU A 8 -0.239 -6.794 0.606 1.00 1.24 H new ATOM 0 HD23 LEU A 8 0.497 -7.968 -0.511 1.00 1.24 H new ATOM 147 N THR A 9 -0.580 -6.184 -5.315 1.00 0.98 N ATOM 148 CA THR A 9 0.194 -6.646 -6.453 1.00 1.08 C ATOM 149 C THR A 9 0.220 -5.584 -7.562 1.00 1.09 C ATOM 150 O THR A 9 0.695 -5.838 -8.670 1.00 1.26 O ATOM 151 CB THR A 9 -0.367 -7.982 -7.000 1.00 1.14 C ATOM 152 OG1 THR A 9 0.471 -8.490 -8.046 1.00 1.25 O ATOM 153 CG2 THR A 9 -1.791 -7.816 -7.518 1.00 1.12 C ATOM 0 H THR A 9 -1.577 -6.392 -5.368 1.00 0.98 H new ATOM 0 HA THR A 9 1.216 -6.817 -6.114 1.00 1.08 H new ATOM 0 HB THR A 9 -0.382 -8.693 -6.174 1.00 1.14 H new ATOM 0 HG1 THR A 9 0.808 -7.745 -8.586 1.00 1.25 H new ATOM 0 HG21 THR A 9 -2.155 -8.772 -7.895 1.00 1.12 H new ATOM 0 HG22 THR A 9 -2.436 -7.476 -6.707 1.00 1.12 H new ATOM 0 HG23 THR A 9 -1.802 -7.081 -8.323 1.00 1.12 H new ATOM 161 N GLY A 10 -0.313 -4.399 -7.260 1.00 0.96 N ATOM 162 CA GLY A 10 -0.329 -3.311 -8.226 1.00 1.01 C ATOM 163 C GLY A 10 -1.478 -3.405 -9.211 1.00 0.98 C ATOM 164 O GLY A 10 -1.590 -2.586 -10.123 1.00 1.12 O ATOM 0 H GLY A 10 -0.735 -4.174 -6.359 1.00 0.96 H new ATOM 0 HA2 GLY A 10 -0.392 -2.362 -7.694 1.00 1.01 H new ATOM 0 HA3 GLY A 10 0.613 -3.307 -8.775 1.00 1.01 H new ATOM 168 N LYS A 11 -2.339 -4.394 -9.023 1.00 0.97 N ATOM 169 CA LYS A 11 -3.480 -4.597 -9.905 1.00 0.94 C ATOM 170 C LYS A 11 -4.542 -3.528 -9.677 1.00 0.88 C ATOM 171 O LYS A 11 -5.012 -3.340 -8.558 1.00 0.93 O ATOM 172 CB LYS A 11 -4.079 -5.982 -9.666 1.00 0.93 C ATOM 173 CG LYS A 11 -5.120 -6.385 -10.694 1.00 1.18 C ATOM 174 CD LYS A 11 -5.626 -7.796 -10.444 1.00 1.26 C ATOM 175 CE LYS A 11 -6.128 -8.439 -11.725 1.00 1.59 C ATOM 176 NZ LYS A 11 -5.057 -8.546 -12.750 1.00 2.04 N ATOM 0 H LYS A 11 -2.269 -5.072 -8.264 1.00 0.97 H new ATOM 0 HA LYS A 11 -3.135 -4.523 -10.936 1.00 0.94 H new ATOM 0 HB2 LYS A 11 -3.277 -6.720 -9.667 1.00 0.93 H new ATOM 0 HB3 LYS A 11 -4.532 -6.005 -8.675 1.00 0.93 H new ATOM 0 HG2 LYS A 11 -5.956 -5.686 -10.662 1.00 1.18 H new ATOM 0 HG3 LYS A 11 -4.690 -6.322 -11.694 1.00 1.18 H new ATOM 0 HD2 LYS A 11 -4.825 -8.402 -10.021 1.00 1.26 H new ATOM 0 HD3 LYS A 11 -6.430 -7.771 -9.708 1.00 1.26 H new ATOM 0 HE2 LYS A 11 -6.519 -9.432 -11.503 1.00 1.59 H new ATOM 0 HE3 LYS A 11 -6.956 -7.853 -12.125 1.00 1.59 H new ATOM 0 HZ1 LYS A 11 -5.270 -9.335 -13.393 1.00 2.04 H new ATOM 0 HZ2 LYS A 11 -5.006 -7.660 -13.293 1.00 2.04 H new ATOM 0 HZ3 LYS A 11 -4.144 -8.718 -12.282 1.00 2.04 H new ATOM 190 N THR A 12 -4.907 -2.821 -10.736 1.00 0.85 N ATOM 191 CA THR A 12 -5.923 -1.785 -10.641 1.00 0.84 C ATOM 192 C THR A 12 -7.295 -2.354 -10.996 1.00 0.83 C ATOM 193 O THR A 12 -7.550 -2.693 -12.154 1.00 0.94 O ATOM 194 CB THR A 12 -5.601 -0.603 -11.572 1.00 0.94 C ATOM 195 OG1 THR A 12 -4.178 -0.442 -11.678 1.00 1.01 O ATOM 196 CG2 THR A 12 -6.227 0.686 -11.052 1.00 0.92 C ATOM 0 H THR A 12 -4.515 -2.946 -11.669 1.00 0.85 H new ATOM 0 HA THR A 12 -5.934 -1.424 -9.613 1.00 0.84 H new ATOM 0 HB THR A 12 -6.019 -0.817 -12.556 1.00 0.94 H new ATOM 0 HG1 THR A 12 -3.977 0.310 -12.273 1.00 1.01 H new ATOM 0 HG21 THR A 12 -5.985 1.506 -11.728 1.00 0.92 H new ATOM 0 HG22 THR A 12 -7.309 0.569 -10.997 1.00 0.92 H new ATOM 0 HG23 THR A 12 -5.835 0.906 -10.059 1.00 0.92 H new ATOM 204 N ILE A 13 -8.165 -2.474 -10.002 1.00 0.75 N ATOM 205 CA ILE A 13 -9.502 -3.013 -10.217 1.00 0.76 C ATOM 206 C ILE A 13 -10.531 -1.890 -10.313 1.00 0.76 C ATOM 207 O ILE A 13 -10.414 -0.868 -9.629 1.00 0.75 O ATOM 208 CB ILE A 13 -9.911 -3.983 -9.085 1.00 0.75 C ATOM 209 CG1 ILE A 13 -8.737 -4.898 -8.712 1.00 0.75 C ATOM 210 CG2 ILE A 13 -11.120 -4.815 -9.506 1.00 0.82 C ATOM 211 CD1 ILE A 13 -8.940 -5.643 -7.410 1.00 0.85 C ATOM 0 H ILE A 13 -7.969 -2.205 -9.038 1.00 0.75 H new ATOM 0 HA ILE A 13 -9.477 -3.563 -11.157 1.00 0.76 H new ATOM 0 HB ILE A 13 -10.183 -3.395 -8.209 1.00 0.75 H new ATOM 0 HG12 ILE A 13 -8.581 -5.620 -9.514 1.00 0.75 H new ATOM 0 HG13 ILE A 13 -7.829 -4.299 -8.641 1.00 0.75 H new ATOM 0 HG21 ILE A 13 -11.395 -5.493 -8.698 1.00 0.82 H new ATOM 0 HG22 ILE A 13 -11.958 -4.154 -9.726 1.00 0.82 H new ATOM 0 HG23 ILE A 13 -10.871 -5.394 -10.396 1.00 0.82 H new ATOM 0 HD11 ILE A 13 -8.071 -6.270 -7.210 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -9.066 -4.928 -6.597 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -9.829 -6.269 -7.484 1.00 0.85 H new ATOM 223 N THR A 14 -11.523 -2.078 -11.170 1.00 0.83 N ATOM 224 CA THR A 14 -12.570 -1.092 -11.363 1.00 0.86 C ATOM 225 C THR A 14 -13.824 -1.454 -10.566 1.00 0.83 C ATOM 226 O THR A 14 -14.477 -2.462 -10.839 1.00 0.89 O ATOM 227 CB THR A 14 -12.934 -0.979 -12.852 1.00 1.01 C ATOM 228 OG1 THR A 14 -12.599 -2.203 -13.522 1.00 1.16 O ATOM 229 CG2 THR A 14 -12.202 0.184 -13.506 1.00 1.39 C ATOM 0 H THR A 14 -11.623 -2.913 -11.747 1.00 0.83 H new ATOM 0 HA THR A 14 -12.189 -0.135 -11.006 1.00 0.86 H new ATOM 0 HB THR A 14 -14.005 -0.796 -12.933 1.00 1.01 H new ATOM 0 HG1 THR A 14 -12.833 -2.131 -14.471 1.00 1.16 H new ATOM 0 HG21 THR A 14 -12.477 0.241 -14.559 1.00 1.39 H new ATOM 0 HG22 THR A 14 -12.477 1.114 -13.008 1.00 1.39 H new ATOM 0 HG23 THR A 14 -11.126 0.031 -13.420 1.00 1.39 H new ATOM 237 N LEU A 15 -14.147 -0.639 -9.574 1.00 0.81 N ATOM 238 CA LEU A 15 -15.321 -0.877 -8.745 1.00 0.81 C ATOM 239 C LEU A 15 -16.396 0.160 -9.042 1.00 0.88 C ATOM 240 O LEU A 15 -16.182 1.359 -8.859 1.00 0.89 O ATOM 241 CB LEU A 15 -14.942 -0.840 -7.259 1.00 0.76 C ATOM 242 CG LEU A 15 -14.943 -2.198 -6.547 1.00 0.80 C ATOM 243 CD1 LEU A 15 -16.339 -2.804 -6.538 1.00 0.99 C ATOM 244 CD2 LEU A 15 -13.947 -3.148 -7.202 1.00 0.85 C ATOM 0 H LEU A 15 -13.614 0.193 -9.322 1.00 0.81 H new ATOM 0 HA LEU A 15 -15.716 -1.866 -8.978 1.00 0.81 H new ATOM 0 HB2 LEU A 15 -13.949 -0.400 -7.165 1.00 0.76 H new ATOM 0 HB3 LEU A 15 -15.635 -0.177 -6.741 1.00 0.76 H new ATOM 0 HG LEU A 15 -14.637 -2.040 -5.513 1.00 0.80 H new ATOM 0 HD11 LEU A 15 -16.314 -3.767 -6.028 1.00 0.99 H new ATOM 0 HD12 LEU A 15 -17.023 -2.134 -6.017 1.00 0.99 H new ATOM 0 HD13 LEU A 15 -16.681 -2.946 -7.563 1.00 0.99 H new ATOM 0 HD21 LEU A 15 -13.962 -4.106 -6.683 1.00 0.85 H new ATOM 0 HD22 LEU A 15 -14.220 -3.297 -8.247 1.00 0.85 H new ATOM 0 HD23 LEU A 15 -12.946 -2.721 -7.146 1.00 0.85 H new ATOM 256 N GLU A 16 -17.547 -0.301 -9.511 1.00 0.98 N ATOM 257 CA GLU A 16 -18.643 0.595 -9.843 1.00 1.07 C ATOM 258 C GLU A 16 -19.736 0.537 -8.775 1.00 1.06 C ATOM 259 O GLU A 16 -20.480 -0.441 -8.663 1.00 1.07 O ATOM 260 CB GLU A 16 -19.202 0.301 -11.253 1.00 1.19 C ATOM 261 CG GLU A 16 -19.835 -1.080 -11.446 1.00 1.26 C ATOM 262 CD GLU A 16 -18.867 -2.227 -11.223 1.00 1.29 C ATOM 263 OE1 GLU A 16 -18.149 -2.607 -12.167 1.00 1.35 O ATOM 264 OE2 GLU A 16 -18.824 -2.752 -10.093 1.00 1.32 O ATOM 0 H GLU A 16 -17.745 -1.289 -9.670 1.00 0.98 H new ATOM 0 HA GLU A 16 -18.254 1.613 -9.860 1.00 1.07 H new ATOM 0 HB2 GLU A 16 -19.949 1.058 -11.492 1.00 1.19 H new ATOM 0 HB3 GLU A 16 -18.393 0.412 -11.974 1.00 1.19 H new ATOM 0 HG2 GLU A 16 -20.675 -1.185 -10.759 1.00 1.26 H new ATOM 0 HG3 GLU A 16 -20.239 -1.148 -12.456 1.00 1.26 H new ATOM 271 N VAL A 17 -19.799 1.584 -7.965 1.00 1.05 N ATOM 272 CA VAL A 17 -20.788 1.682 -6.896 1.00 1.06 C ATOM 273 C VAL A 17 -21.242 3.127 -6.736 1.00 1.12 C ATOM 274 O VAL A 17 -20.618 4.043 -7.271 1.00 1.18 O ATOM 275 CB VAL A 17 -20.242 1.175 -5.539 1.00 0.99 C ATOM 276 CG1 VAL A 17 -20.331 -0.342 -5.443 1.00 1.05 C ATOM 277 CG2 VAL A 17 -18.812 1.644 -5.321 1.00 0.92 C ATOM 0 H VAL A 17 -19.171 2.386 -8.028 1.00 1.05 H new ATOM 0 HA VAL A 17 -21.627 1.047 -7.182 1.00 1.06 H new ATOM 0 HB VAL A 17 -20.864 1.599 -4.751 1.00 0.99 H new ATOM 0 HG11 VAL A 17 -19.940 -0.669 -4.479 1.00 1.05 H new ATOM 0 HG12 VAL A 17 -21.372 -0.652 -5.537 1.00 1.05 H new ATOM 0 HG13 VAL A 17 -19.745 -0.792 -6.244 1.00 1.05 H new ATOM 0 HG21 VAL A 17 -18.450 1.275 -4.361 1.00 0.92 H new ATOM 0 HG22 VAL A 17 -18.177 1.260 -6.120 1.00 0.92 H new ATOM 0 HG23 VAL A 17 -18.782 2.734 -5.326 1.00 0.92 H new ATOM 287 N GLU A 18 -22.318 3.330 -6.004 1.00 1.15 N ATOM 288 CA GLU A 18 -22.848 4.664 -5.786 1.00 1.20 C ATOM 289 C GLU A 18 -22.465 5.167 -4.399 1.00 1.10 C ATOM 290 O GLU A 18 -22.243 4.374 -3.491 1.00 1.08 O ATOM 291 CB GLU A 18 -24.368 4.656 -5.959 1.00 1.39 C ATOM 292 CG GLU A 18 -24.808 4.787 -7.408 1.00 1.59 C ATOM 293 CD GLU A 18 -24.279 6.052 -8.052 1.00 1.73 C ATOM 294 OE1 GLU A 18 -24.774 7.147 -7.713 1.00 1.86 O ATOM 295 OE2 GLU A 18 -23.353 5.963 -8.884 1.00 1.92 O ATOM 0 H GLU A 18 -22.846 2.586 -5.547 1.00 1.15 H new ATOM 0 HA GLU A 18 -22.418 5.341 -6.524 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -24.769 3.730 -5.547 1.00 1.39 H new ATOM 0 HB3 GLU A 18 -24.797 5.474 -5.381 1.00 1.39 H new ATOM 0 HG2 GLU A 18 -24.461 3.921 -7.972 1.00 1.59 H new ATOM 0 HG3 GLU A 18 -25.897 4.784 -7.458 1.00 1.59 H new ATOM 302 N PRO A 19 -22.381 6.498 -4.215 1.00 1.10 N ATOM 303 CA PRO A 19 -22.022 7.100 -2.922 1.00 1.06 C ATOM 304 C PRO A 19 -23.050 6.796 -1.838 1.00 1.10 C ATOM 305 O PRO A 19 -22.783 6.965 -0.649 1.00 1.13 O ATOM 306 CB PRO A 19 -21.985 8.601 -3.218 1.00 1.13 C ATOM 307 CG PRO A 19 -22.828 8.771 -4.433 1.00 1.32 C ATOM 308 CD PRO A 19 -22.620 7.526 -5.244 1.00 1.21 C ATOM 0 HA PRO A 19 -21.079 6.708 -2.541 1.00 1.06 H new ATOM 0 HB2 PRO A 19 -22.377 9.179 -2.381 1.00 1.13 H new ATOM 0 HB3 PRO A 19 -20.965 8.944 -3.393 1.00 1.13 H new ATOM 0 HG2 PRO A 19 -23.878 8.895 -4.168 1.00 1.32 H new ATOM 0 HG3 PRO A 19 -22.534 9.658 -4.994 1.00 1.32 H new ATOM 0 HD2 PRO A 19 -23.492 7.291 -5.854 1.00 1.21 H new ATOM 0 HD3 PRO A 19 -21.773 7.623 -5.923 1.00 1.21 H new ATOM 316 N SER A 20 -24.223 6.349 -2.265 1.00 1.16 N ATOM 317 CA SER A 20 -25.296 5.999 -1.354 1.00 1.26 C ATOM 318 C SER A 20 -25.010 4.652 -0.699 1.00 1.22 C ATOM 319 O SER A 20 -25.627 4.287 0.303 1.00 1.29 O ATOM 320 CB SER A 20 -26.615 5.952 -2.125 1.00 1.42 C ATOM 321 OG SER A 20 -26.380 5.904 -3.527 1.00 1.50 O ATOM 0 H SER A 20 -24.454 6.220 -3.250 1.00 1.16 H new ATOM 0 HA SER A 20 -25.368 6.751 -0.568 1.00 1.26 H new ATOM 0 HB2 SER A 20 -27.190 5.078 -1.818 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.215 6.829 -1.882 1.00 1.42 H new ATOM 0 HG SER A 20 -27.237 5.873 -4.001 1.00 1.50 H new ATOM 327 N ASP A 21 -24.062 3.924 -1.274 1.00 1.13 N ATOM 328 CA ASP A 21 -23.673 2.616 -0.770 1.00 1.09 C ATOM 329 C ASP A 21 -22.536 2.750 0.224 1.00 1.02 C ATOM 330 O ASP A 21 -21.606 3.530 0.014 1.00 1.03 O ATOM 331 CB ASP A 21 -23.233 1.698 -1.915 1.00 1.08 C ATOM 332 CG ASP A 21 -24.359 1.355 -2.866 1.00 1.32 C ATOM 333 OD1 ASP A 21 -25.188 0.487 -2.520 1.00 1.46 O ATOM 334 OD2 ASP A 21 -24.416 1.940 -3.968 1.00 1.65 O ATOM 0 H ASP A 21 -23.543 4.223 -2.100 1.00 1.13 H new ATOM 0 HA ASP A 21 -24.541 2.178 -0.276 1.00 1.09 H new ATOM 0 HB2 ASP A 21 -22.430 2.181 -2.471 1.00 1.08 H new ATOM 0 HB3 ASP A 21 -22.824 0.778 -1.498 1.00 1.08 H new ATOM 339 N THR A 22 -22.620 2.006 1.310 1.00 0.97 N ATOM 340 CA THR A 22 -21.591 2.026 2.330 1.00 0.92 C ATOM 341 C THR A 22 -20.395 1.182 1.904 1.00 0.81 C ATOM 342 O THR A 22 -20.510 0.336 1.009 1.00 0.79 O ATOM 343 CB THR A 22 -22.137 1.497 3.665 1.00 0.96 C ATOM 344 OG1 THR A 22 -23.442 0.931 3.469 1.00 1.12 O ATOM 345 CG2 THR A 22 -22.207 2.606 4.699 1.00 1.03 C ATOM 0 H THR A 22 -23.397 1.376 1.509 1.00 0.97 H new ATOM 0 HA THR A 22 -21.272 3.060 2.460 1.00 0.92 H new ATOM 0 HB THR A 22 -21.459 0.727 4.032 1.00 0.96 H new ATOM 0 HG1 THR A 22 -23.784 0.594 4.323 1.00 1.12 H new ATOM 0 HG21 THR A 22 -22.597 2.206 5.635 1.00 1.03 H new ATOM 0 HG22 THR A 22 -21.209 3.012 4.865 1.00 1.03 H new ATOM 0 HG23 THR A 22 -22.866 3.397 4.340 1.00 1.03 H new ATOM 353 N ILE A 23 -19.256 1.398 2.555 1.00 0.76 N ATOM 354 CA ILE A 23 -18.038 0.662 2.246 1.00 0.66 C ATOM 355 C ILE A 23 -18.258 -0.844 2.385 1.00 0.64 C ATOM 356 O ILE A 23 -17.703 -1.635 1.622 1.00 0.58 O ATOM 357 CB ILE A 23 -16.868 1.110 3.152 1.00 0.63 C ATOM 358 CG1 ILE A 23 -16.499 2.571 2.868 1.00 0.66 C ATOM 359 CG2 ILE A 23 -15.654 0.213 2.964 1.00 0.57 C ATOM 360 CD1 ILE A 23 -16.038 2.826 1.446 1.00 0.66 C ATOM 0 H ILE A 23 -19.153 2.082 3.305 1.00 0.76 H new ATOM 0 HA ILE A 23 -17.778 0.883 1.211 1.00 0.66 H new ATOM 0 HB ILE A 23 -17.195 1.025 4.188 1.00 0.63 H new ATOM 0 HG12 ILE A 23 -17.364 3.201 3.077 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -15.710 2.876 3.555 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -14.847 0.552 3.614 1.00 0.57 H new ATOM 0 HG22 ILE A 23 -15.917 -0.814 3.218 1.00 0.57 H new ATOM 0 HG23 ILE A 23 -15.326 0.257 1.925 1.00 0.57 H new ATOM 0 HD11 ILE A 23 -15.796 3.882 1.326 1.00 0.66 H new ATOM 0 HD12 ILE A 23 -15.153 2.225 1.237 1.00 0.66 H new ATOM 0 HD13 ILE A 23 -16.833 2.555 0.752 1.00 0.66 H new ATOM 372 N GLU A 24 -19.095 -1.238 3.344 1.00 0.72 N ATOM 373 CA GLU A 24 -19.379 -2.652 3.570 1.00 0.74 C ATOM 374 C GLU A 24 -19.969 -3.311 2.319 1.00 0.74 C ATOM 375 O GLU A 24 -19.698 -4.479 2.041 1.00 0.74 O ATOM 376 CB GLU A 24 -20.310 -2.843 4.774 1.00 0.85 C ATOM 377 CG GLU A 24 -21.713 -2.292 4.578 1.00 0.98 C ATOM 378 CD GLU A 24 -22.681 -2.795 5.631 1.00 1.04 C ATOM 379 OE1 GLU A 24 -23.034 -3.993 5.592 1.00 1.16 O ATOM 380 OE2 GLU A 24 -23.092 -2.000 6.499 1.00 1.71 O ATOM 0 H GLU A 24 -19.585 -0.601 3.973 1.00 0.72 H new ATOM 0 HA GLU A 24 -18.432 -3.144 3.791 1.00 0.74 H new ATOM 0 HB2 GLU A 24 -20.379 -3.907 4.999 1.00 0.85 H new ATOM 0 HB3 GLU A 24 -19.862 -2.362 5.644 1.00 0.85 H new ATOM 0 HG2 GLU A 24 -21.681 -1.203 4.608 1.00 0.98 H new ATOM 0 HG3 GLU A 24 -22.077 -2.573 3.590 1.00 0.98 H new ATOM 387 N ASN A 25 -20.753 -2.555 1.554 1.00 0.79 N ATOM 388 CA ASN A 25 -21.359 -3.083 0.335 1.00 0.82 C ATOM 389 C ASN A 25 -20.308 -3.183 -0.763 1.00 0.74 C ATOM 390 O ASN A 25 -20.301 -4.129 -1.553 1.00 0.75 O ATOM 391 CB ASN A 25 -22.523 -2.202 -0.130 1.00 0.92 C ATOM 392 CG ASN A 25 -23.348 -2.857 -1.227 1.00 1.03 C ATOM 393 OD1 ASN A 25 -23.437 -4.080 -1.303 1.00 1.08 O ATOM 394 ND2 ASN A 25 -23.963 -2.050 -2.080 1.00 1.11 N ATOM 0 H ASN A 25 -20.982 -1.582 1.755 1.00 0.79 H new ATOM 0 HA ASN A 25 -21.753 -4.076 0.551 1.00 0.82 H new ATOM 0 HB2 ASN A 25 -23.167 -1.979 0.720 1.00 0.92 H new ATOM 0 HB3 ASN A 25 -22.132 -1.251 -0.492 1.00 0.92 H new ATOM 0 HD21 ASN A 25 -24.533 -2.440 -2.830 1.00 1.11 H new ATOM 0 HD22 ASN A 25 -23.866 -1.039 -1.986 1.00 1.11 H new ATOM 401 N VAL A 26 -19.406 -2.209 -0.792 1.00 0.69 N ATOM 402 CA VAL A 26 -18.330 -2.188 -1.775 1.00 0.63 C ATOM 403 C VAL A 26 -17.424 -3.396 -1.570 1.00 0.57 C ATOM 404 O VAL A 26 -17.031 -4.063 -2.528 1.00 0.57 O ATOM 405 CB VAL A 26 -17.492 -0.895 -1.677 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.498 -0.806 -2.824 1.00 0.58 C ATOM 407 CG2 VAL A 26 -18.394 0.329 -1.650 1.00 0.69 C ATOM 0 H VAL A 26 -19.399 -1.421 -0.144 1.00 0.69 H new ATOM 0 HA VAL A 26 -18.783 -2.222 -2.766 1.00 0.63 H new ATOM 0 HB VAL A 26 -16.930 -0.925 -0.744 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.919 0.113 -2.733 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -15.825 -1.663 -2.790 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -17.036 -0.804 -3.772 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -17.784 1.229 -1.581 1.00 0.69 H new ATOM 0 HG22 VAL A 26 -18.989 0.363 -2.563 1.00 0.69 H new ATOM 0 HG23 VAL A 26 -19.057 0.273 -0.787 1.00 0.69 H new ATOM 417 N LYS A 27 -17.120 -3.682 -0.305 1.00 0.55 N ATOM 418 CA LYS A 27 -16.277 -4.816 0.050 1.00 0.53 C ATOM 419 C LYS A 27 -16.934 -6.125 -0.376 1.00 0.57 C ATOM 420 O LYS A 27 -16.252 -7.085 -0.742 1.00 0.57 O ATOM 421 CB LYS A 27 -16.019 -4.839 1.561 1.00 0.56 C ATOM 422 CG LYS A 27 -15.326 -3.594 2.093 1.00 0.57 C ATOM 423 CD LYS A 27 -15.165 -3.645 3.605 1.00 0.60 C ATOM 424 CE LYS A 27 -13.934 -4.444 4.005 1.00 0.89 C ATOM 425 NZ LYS A 27 -13.799 -4.580 5.481 1.00 1.00 N ATOM 0 H LYS A 27 -17.449 -3.139 0.493 1.00 0.55 H new ATOM 0 HA LYS A 27 -15.327 -4.709 -0.473 1.00 0.53 H new ATOM 0 HB2 LYS A 27 -16.970 -4.961 2.079 1.00 0.56 H new ATOM 0 HB3 LYS A 27 -15.411 -5.711 1.801 1.00 0.56 H new ATOM 0 HG2 LYS A 27 -14.346 -3.494 1.625 1.00 0.57 H new ATOM 0 HG3 LYS A 27 -15.902 -2.711 1.818 1.00 0.57 H new ATOM 0 HD2 LYS A 27 -15.087 -2.632 3.999 1.00 0.60 H new ATOM 0 HD3 LYS A 27 -16.053 -4.093 4.052 1.00 0.60 H new ATOM 0 HE2 LYS A 27 -13.986 -5.435 3.555 1.00 0.89 H new ATOM 0 HE3 LYS A 27 -13.044 -3.959 3.605 1.00 0.89 H new ATOM 0 HZ1 LYS A 27 -13.012 -3.987 5.814 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -14.681 -4.275 5.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.609 -5.574 5.722 1.00 1.00 H new ATOM 439 N ALA A 28 -18.261 -6.150 -0.335 1.00 0.64 N ATOM 440 CA ALA A 28 -19.018 -7.331 -0.715 1.00 0.71 C ATOM 441 C ALA A 28 -19.002 -7.527 -2.227 1.00 0.73 C ATOM 442 O ALA A 28 -19.019 -8.656 -2.716 1.00 0.78 O ATOM 443 CB ALA A 28 -20.447 -7.228 -0.211 1.00 0.77 C ATOM 0 H ALA A 28 -18.835 -5.360 -0.040 1.00 0.64 H new ATOM 0 HA ALA A 28 -18.545 -8.199 -0.255 1.00 0.71 H new ATOM 0 HB1 ALA A 28 -21.001 -8.120 -0.504 1.00 0.77 H new ATOM 0 HB2 ALA A 28 -20.444 -7.143 0.876 1.00 0.77 H new ATOM 0 HB3 ALA A 28 -20.923 -6.347 -0.643 1.00 0.77 H new ATOM 449 N LYS A 29 -18.962 -6.424 -2.967 1.00 0.72 N ATOM 450 CA LYS A 29 -18.937 -6.495 -4.420 1.00 0.76 C ATOM 451 C LYS A 29 -17.570 -6.968 -4.900 1.00 0.72 C ATOM 452 O LYS A 29 -17.457 -7.617 -5.938 1.00 0.76 O ATOM 453 CB LYS A 29 -19.289 -5.147 -5.049 1.00 0.79 C ATOM 454 CG LYS A 29 -20.097 -5.291 -6.329 1.00 1.12 C ATOM 455 CD LYS A 29 -20.354 -3.952 -6.992 1.00 1.05 C ATOM 456 CE LYS A 29 -21.413 -4.076 -8.080 1.00 1.61 C ATOM 457 NZ LYS A 29 -21.280 -3.017 -9.108 1.00 1.56 N ATOM 0 H LYS A 29 -18.946 -5.478 -2.586 1.00 0.72 H new ATOM 0 HA LYS A 29 -19.691 -7.215 -4.736 1.00 0.76 H new ATOM 0 HB2 LYS A 29 -19.855 -4.552 -4.332 1.00 0.79 H new ATOM 0 HB3 LYS A 29 -18.371 -4.600 -5.263 1.00 0.79 H new ATOM 0 HG2 LYS A 29 -19.565 -5.943 -7.022 1.00 1.12 H new ATOM 0 HG3 LYS A 29 -21.049 -5.773 -6.105 1.00 1.12 H new ATOM 0 HD2 LYS A 29 -20.679 -3.228 -6.244 1.00 1.05 H new ATOM 0 HD3 LYS A 29 -19.428 -3.572 -7.423 1.00 1.05 H new ATOM 0 HE2 LYS A 29 -21.332 -5.054 -8.555 1.00 1.61 H new ATOM 0 HE3 LYS A 29 -22.404 -4.021 -7.629 1.00 1.61 H new ATOM 0 HZ1 LYS A 29 -22.120 -3.021 -9.721 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 -21.195 -2.091 -8.643 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 -20.431 -3.195 -9.682 1.00 1.56 H new ATOM 471 N ILE A 30 -16.533 -6.643 -4.134 1.00 0.67 N ATOM 472 CA ILE A 30 -15.179 -7.067 -4.474 1.00 0.63 C ATOM 473 C ILE A 30 -15.072 -8.583 -4.317 1.00 0.64 C ATOM 474 O ILE A 30 -14.312 -9.251 -5.025 1.00 0.66 O ATOM 475 CB ILE A 30 -14.122 -6.368 -3.592 1.00 0.59 C ATOM 476 CG1 ILE A 30 -14.232 -4.848 -3.740 1.00 0.65 C ATOM 477 CG2 ILE A 30 -12.717 -6.837 -3.960 1.00 0.56 C ATOM 478 CD1 ILE A 30 -13.347 -4.073 -2.787 1.00 0.68 C ATOM 0 H ILE A 30 -16.603 -6.091 -3.279 1.00 0.67 H new ATOM 0 HA ILE A 30 -14.981 -6.783 -5.508 1.00 0.63 H new ATOM 0 HB ILE A 30 -14.310 -6.634 -2.552 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -13.976 -4.573 -4.763 1.00 0.65 H new ATOM 0 HG13 ILE A 30 -15.269 -4.551 -3.580 1.00 0.65 H new ATOM 0 HG21 ILE A 30 -11.987 -6.332 -3.327 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -12.643 -7.914 -3.812 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -12.516 -6.600 -5.005 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -13.481 -3.004 -2.953 1.00 0.68 H new ATOM 0 HD12 ILE A 30 -13.617 -4.317 -1.760 1.00 0.68 H new ATOM 0 HD13 ILE A 30 -12.304 -4.339 -2.961 1.00 0.68 H new ATOM 490 N GLN A 31 -15.878 -9.117 -3.404 1.00 0.64 N ATOM 491 CA GLN A 31 -15.916 -10.550 -3.141 1.00 0.67 C ATOM 492 C GLN A 31 -16.559 -11.273 -4.320 1.00 0.74 C ATOM 493 O GLN A 31 -16.347 -12.464 -4.529 1.00 0.83 O ATOM 494 CB GLN A 31 -16.705 -10.830 -1.860 1.00 0.69 C ATOM 495 CG GLN A 31 -16.504 -12.233 -1.311 1.00 0.77 C ATOM 496 CD GLN A 31 -17.554 -12.617 -0.289 1.00 0.88 C ATOM 497 OE1 GLN A 31 -18.134 -11.761 0.377 1.00 0.90 O ATOM 498 NE2 GLN A 31 -17.792 -13.907 -0.149 1.00 1.10 N ATOM 0 H GLN A 31 -16.520 -8.571 -2.829 1.00 0.64 H new ATOM 0 HA GLN A 31 -14.897 -10.915 -3.011 1.00 0.67 H new ATOM 0 HB2 GLN A 31 -16.413 -10.107 -1.099 1.00 0.69 H new ATOM 0 HB3 GLN A 31 -17.766 -10.675 -2.056 1.00 0.69 H new ATOM 0 HG2 GLN A 31 -16.526 -12.947 -2.134 1.00 0.77 H new ATOM 0 HG3 GLN A 31 -15.516 -12.302 -0.855 1.00 0.77 H new ATOM 0 HE21 GLN A 31 -17.288 -14.584 -0.722 1.00 1.10 H new ATOM 0 HE22 GLN A 31 -18.480 -14.228 0.532 1.00 1.10 H new ATOM 507 N ASP A 32 -17.350 -10.536 -5.089 1.00 0.76 N ATOM 508 CA ASP A 32 -18.029 -11.091 -6.253 1.00 0.87 C ATOM 509 C ASP A 32 -17.128 -11.015 -7.481 1.00 0.88 C ATOM 510 O ASP A 32 -17.124 -11.911 -8.319 1.00 0.97 O ATOM 511 CB ASP A 32 -19.328 -10.330 -6.523 1.00 0.95 C ATOM 512 CG ASP A 32 -20.539 -11.239 -6.595 1.00 1.15 C ATOM 513 OD1 ASP A 32 -20.569 -12.134 -7.462 1.00 1.37 O ATOM 514 OD2 ASP A 32 -21.472 -11.054 -5.786 1.00 1.45 O ATOM 0 H ASP A 32 -17.538 -9.547 -4.926 1.00 0.76 H new ATOM 0 HA ASP A 32 -18.262 -12.136 -6.047 1.00 0.87 H new ATOM 0 HB2 ASP A 32 -19.481 -9.591 -5.736 1.00 0.95 H new ATOM 0 HB3 ASP A 32 -19.234 -9.782 -7.461 1.00 0.95 H new ATOM 519 N LYS A 33 -16.363 -9.931 -7.572 1.00 0.82 N ATOM 520 CA LYS A 33 -15.459 -9.716 -8.695 1.00 0.87 C ATOM 521 C LYS A 33 -14.215 -10.600 -8.602 1.00 0.84 C ATOM 522 O LYS A 33 -13.937 -11.385 -9.506 1.00 0.92 O ATOM 523 CB LYS A 33 -15.030 -8.248 -8.770 1.00 0.85 C ATOM 524 CG LYS A 33 -16.129 -7.299 -9.218 1.00 1.06 C ATOM 525 CD LYS A 33 -15.585 -5.894 -9.421 1.00 1.25 C ATOM 526 CE LYS A 33 -16.676 -4.917 -9.819 1.00 1.51 C ATOM 527 NZ LYS A 33 -16.933 -4.919 -11.286 1.00 1.50 N ATOM 0 H LYS A 33 -16.352 -9.185 -6.877 1.00 0.82 H new ATOM 0 HA LYS A 33 -16.006 -9.985 -9.599 1.00 0.87 H new ATOM 0 HB2 LYS A 33 -14.673 -7.935 -7.789 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -14.189 -8.162 -9.458 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -16.570 -7.660 -10.147 1.00 1.06 H new ATOM 0 HG3 LYS A 33 -16.925 -7.281 -8.473 1.00 1.06 H new ATOM 0 HD2 LYS A 33 -15.109 -5.552 -8.502 1.00 1.25 H new ATOM 0 HD3 LYS A 33 -14.814 -5.911 -10.191 1.00 1.25 H new ATOM 0 HE2 LYS A 33 -17.596 -5.169 -9.291 1.00 1.51 H new ATOM 0 HE3 LYS A 33 -16.393 -3.913 -9.504 1.00 1.51 H new ATOM 0 HZ1 LYS A 33 -17.124 -3.948 -11.606 1.00 1.50 H new ATOM 0 HZ2 LYS A 33 -16.099 -5.290 -11.784 1.00 1.50 H new ATOM 0 HZ3 LYS A 33 -17.756 -5.520 -11.493 1.00 1.50 H new ATOM 541 N GLU A 34 -13.464 -10.458 -7.516 1.00 0.80 N ATOM 542 CA GLU A 34 -12.242 -11.233 -7.332 1.00 0.81 C ATOM 543 C GLU A 34 -12.511 -12.513 -6.555 1.00 0.83 C ATOM 544 O GLU A 34 -12.064 -13.591 -6.943 1.00 1.03 O ATOM 545 CB GLU A 34 -11.180 -10.396 -6.611 1.00 0.76 C ATOM 546 CG GLU A 34 -10.287 -9.602 -7.553 1.00 0.83 C ATOM 547 CD GLU A 34 -9.436 -10.496 -8.433 1.00 0.95 C ATOM 548 OE1 GLU A 34 -8.499 -11.131 -7.907 1.00 1.33 O ATOM 549 OE2 GLU A 34 -9.706 -10.566 -9.651 1.00 1.47 O ATOM 0 H GLU A 34 -13.678 -9.816 -6.752 1.00 0.80 H new ATOM 0 HA GLU A 34 -11.871 -11.506 -8.320 1.00 0.81 H new ATOM 0 HB2 GLU A 34 -11.675 -9.707 -5.927 1.00 0.76 H new ATOM 0 HB3 GLU A 34 -10.559 -11.056 -6.005 1.00 0.76 H new ATOM 0 HG2 GLU A 34 -10.905 -8.961 -8.181 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -9.639 -8.948 -6.970 1.00 0.83 H new ATOM 556 N GLY A 35 -13.238 -12.389 -5.455 1.00 0.73 N ATOM 557 CA GLY A 35 -13.542 -13.544 -4.636 1.00 0.76 C ATOM 558 C GLY A 35 -13.016 -13.399 -3.228 1.00 0.75 C ATOM 559 O GLY A 35 -13.300 -14.225 -2.363 1.00 0.93 O ATOM 0 H GLY A 35 -13.623 -11.508 -5.114 1.00 0.73 H new ATOM 0 HA2 GLY A 35 -14.622 -13.692 -4.605 1.00 0.76 H new ATOM 0 HA3 GLY A 35 -13.111 -14.435 -5.093 1.00 0.76 H new ATOM 563 N ILE A 36 -12.247 -12.342 -2.997 1.00 0.64 N ATOM 564 CA ILE A 36 -11.676 -12.080 -1.681 1.00 0.63 C ATOM 565 C ILE A 36 -12.773 -11.645 -0.712 1.00 0.62 C ATOM 566 O ILE A 36 -13.534 -10.724 -1.008 1.00 0.62 O ATOM 567 CB ILE A 36 -10.588 -10.981 -1.743 1.00 0.63 C ATOM 568 CG1 ILE A 36 -9.736 -11.134 -3.008 1.00 0.70 C ATOM 569 CG2 ILE A 36 -9.705 -11.036 -0.502 1.00 0.68 C ATOM 570 CD1 ILE A 36 -8.861 -9.932 -3.291 1.00 0.76 C ATOM 0 H ILE A 36 -12.004 -11.650 -3.706 1.00 0.64 H new ATOM 0 HA ILE A 36 -11.215 -13.004 -1.332 1.00 0.63 H new ATOM 0 HB ILE A 36 -11.084 -10.011 -1.776 1.00 0.63 H new ATOM 0 HG12 ILE A 36 -9.106 -12.018 -2.908 1.00 0.70 H new ATOM 0 HG13 ILE A 36 -10.393 -11.305 -3.861 1.00 0.70 H new ATOM 0 HG21 ILE A 36 -8.945 -10.257 -0.561 1.00 0.68 H new ATOM 0 HG22 ILE A 36 -10.316 -10.880 0.387 1.00 0.68 H new ATOM 0 HG23 ILE A 36 -9.221 -12.011 -0.443 1.00 0.68 H new ATOM 0 HD11 ILE A 36 -8.285 -10.107 -4.200 1.00 0.76 H new ATOM 0 HD12 ILE A 36 -9.487 -9.049 -3.422 1.00 0.76 H new ATOM 0 HD13 ILE A 36 -8.180 -9.773 -2.455 1.00 0.76 H new ATOM 582 N PRO A 37 -12.884 -12.314 0.448 1.00 0.68 N ATOM 583 CA PRO A 37 -13.901 -11.986 1.457 1.00 0.72 C ATOM 584 C PRO A 37 -13.686 -10.604 2.080 1.00 0.66 C ATOM 585 O PRO A 37 -12.554 -10.121 2.164 1.00 0.64 O ATOM 586 CB PRO A 37 -13.724 -13.082 2.513 1.00 0.86 C ATOM 587 CG PRO A 37 -12.329 -13.574 2.331 1.00 0.91 C ATOM 588 CD PRO A 37 -12.033 -13.443 0.865 1.00 0.75 C ATOM 0 HA PRO A 37 -14.901 -11.948 1.025 1.00 0.72 H new ATOM 0 HB2 PRO A 37 -13.876 -12.689 3.518 1.00 0.86 H new ATOM 0 HB3 PRO A 37 -14.447 -13.885 2.372 1.00 0.86 H new ATOM 0 HG2 PRO A 37 -11.628 -12.988 2.925 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -12.235 -14.610 2.657 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -10.978 -13.240 0.684 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -12.280 -14.355 0.322 1.00 0.75 H new ATOM 596 N PRO A 38 -14.774 -9.957 2.547 1.00 0.68 N ATOM 597 CA PRO A 38 -14.710 -8.623 3.166 1.00 0.65 C ATOM 598 C PRO A 38 -13.844 -8.610 4.420 1.00 0.65 C ATOM 599 O PRO A 38 -13.355 -7.559 4.846 1.00 0.70 O ATOM 600 CB PRO A 38 -16.170 -8.319 3.526 1.00 0.71 C ATOM 601 CG PRO A 38 -16.840 -9.648 3.561 1.00 0.79 C ATOM 602 CD PRO A 38 -16.150 -10.477 2.521 1.00 0.78 C ATOM 0 HA PRO A 38 -14.262 -7.888 2.497 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -16.243 -7.814 4.489 1.00 0.71 H new ATOM 0 HB3 PRO A 38 -16.631 -7.663 2.787 1.00 0.71 H new ATOM 0 HG2 PRO A 38 -16.753 -10.105 4.547 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -17.904 -9.556 3.345 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -16.185 -11.539 2.762 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -16.609 -10.358 1.539 1.00 0.78 H new ATOM 610 N ASP A 39 -13.661 -9.788 5.000 1.00 0.68 N ATOM 611 CA ASP A 39 -12.856 -9.952 6.204 1.00 0.74 C ATOM 612 C ASP A 39 -11.378 -9.749 5.887 1.00 0.82 C ATOM 613 O ASP A 39 -10.583 -9.405 6.760 1.00 0.99 O ATOM 614 CB ASP A 39 -13.067 -11.356 6.788 1.00 0.80 C ATOM 615 CG ASP A 39 -14.492 -11.853 6.636 1.00 1.51 C ATOM 616 OD1 ASP A 39 -14.897 -12.157 5.494 1.00 2.52 O ATOM 617 OD2 ASP A 39 -15.214 -11.935 7.654 1.00 1.85 O ATOM 0 H ASP A 39 -14.066 -10.657 4.650 1.00 0.68 H new ATOM 0 HA ASP A 39 -13.168 -9.205 6.934 1.00 0.74 H new ATOM 0 HB2 ASP A 39 -12.390 -12.054 6.295 1.00 0.80 H new ATOM 0 HB3 ASP A 39 -12.802 -11.347 7.845 1.00 0.80 H new ATOM 622 N GLN A 40 -11.015 -9.977 4.630 1.00 0.87 N ATOM 623 CA GLN A 40 -9.634 -9.820 4.187 1.00 1.00 C ATOM 624 C GLN A 40 -9.463 -8.499 3.446 1.00 0.98 C ATOM 625 O GLN A 40 -8.343 -8.046 3.217 1.00 1.24 O ATOM 626 CB GLN A 40 -9.236 -10.979 3.269 1.00 1.14 C ATOM 627 CG GLN A 40 -8.304 -11.999 3.914 1.00 1.29 C ATOM 628 CD GLN A 40 -9.039 -13.113 4.639 1.00 1.35 C ATOM 629 OE1 GLN A 40 -10.107 -12.775 5.338 1.00 1.73 O flip ATOM 630 NE2 GLN A 40 -8.633 -14.273 4.586 1.00 1.64 N flip ATOM 0 H GLN A 40 -11.660 -10.272 3.897 1.00 0.87 H new ATOM 0 HA GLN A 40 -8.989 -9.822 5.065 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -10.139 -11.490 2.936 1.00 1.14 H new ATOM 0 HB3 GLN A 40 -8.753 -10.574 2.380 1.00 1.14 H new ATOM 0 HG2 GLN A 40 -7.666 -12.435 3.145 1.00 1.29 H new ATOM 0 HG3 GLN A 40 -7.649 -11.487 4.619 1.00 1.29 H new ATOM 0 HE21 GLN A 40 -7.804 -14.499 4.036 1.00 1.64 H new ATOM 0 HE22 GLN A 40 -9.125 -15.009 5.092 1.00 1.64 H new ATOM 639 N GLN A 41 -10.586 -7.891 3.083 1.00 0.78 N ATOM 640 CA GLN A 41 -10.585 -6.626 2.361 1.00 0.81 C ATOM 641 C GLN A 41 -10.116 -5.482 3.251 1.00 0.67 C ATOM 642 O GLN A 41 -10.873 -4.975 4.081 1.00 0.78 O ATOM 643 CB GLN A 41 -11.987 -6.314 1.833 1.00 0.89 C ATOM 644 CG GLN A 41 -12.060 -6.160 0.324 1.00 0.95 C ATOM 645 CD GLN A 41 -12.067 -7.492 -0.393 1.00 0.83 C ATOM 646 OE1 GLN A 41 -11.021 -8.017 -0.755 1.00 1.44 O ATOM 647 NE2 GLN A 41 -13.251 -8.043 -0.607 1.00 0.79 N ATOM 0 H GLN A 41 -11.517 -8.259 3.280 1.00 0.78 H new ATOM 0 HA GLN A 41 -9.892 -6.724 1.525 1.00 0.81 H new ATOM 0 HB2 GLN A 41 -12.665 -7.111 2.140 1.00 0.89 H new ATOM 0 HB3 GLN A 41 -12.343 -5.395 2.299 1.00 0.89 H new ATOM 0 HG2 GLN A 41 -12.960 -5.605 0.062 1.00 0.95 H new ATOM 0 HG3 GLN A 41 -11.210 -5.570 -0.020 1.00 0.95 H new ATOM 0 HE21 GLN A 41 -14.098 -7.572 -0.289 1.00 0.79 H new ATOM 0 HE22 GLN A 41 -13.317 -8.939 -1.090 1.00 0.79 H new ATOM 656 N ARG A 42 -8.867 -5.088 3.076 1.00 0.56 N ATOM 657 CA ARG A 42 -8.289 -3.993 3.835 1.00 0.56 C ATOM 658 C ARG A 42 -8.025 -2.819 2.897 1.00 0.50 C ATOM 659 O ARG A 42 -6.975 -2.734 2.256 1.00 0.52 O ATOM 660 CB ARG A 42 -7.004 -4.467 4.522 1.00 0.77 C ATOM 661 CG ARG A 42 -6.210 -3.379 5.222 1.00 0.95 C ATOM 662 CD ARG A 42 -4.935 -3.955 5.809 1.00 1.24 C ATOM 663 NE ARG A 42 -3.994 -2.925 6.242 1.00 1.62 N ATOM 664 CZ ARG A 42 -2.697 -3.152 6.454 1.00 2.19 C ATOM 665 NH1 ARG A 42 -2.183 -4.358 6.245 1.00 2.48 N ATOM 666 NH2 ARG A 42 -1.904 -2.176 6.875 1.00 2.87 N ATOM 0 H ARG A 42 -8.227 -5.516 2.407 1.00 0.56 H new ATOM 0 HA ARG A 42 -8.980 -3.662 4.611 1.00 0.56 H new ATOM 0 HB2 ARG A 42 -7.262 -5.234 5.252 1.00 0.77 H new ATOM 0 HB3 ARG A 42 -6.365 -4.939 3.776 1.00 0.77 H new ATOM 0 HG2 ARG A 42 -5.967 -2.585 4.516 1.00 0.95 H new ATOM 0 HG3 ARG A 42 -6.812 -2.930 6.012 1.00 0.95 H new ATOM 0 HD2 ARG A 42 -5.186 -4.591 6.658 1.00 1.24 H new ATOM 0 HD3 ARG A 42 -4.454 -4.591 5.066 1.00 1.24 H new ATOM 0 HE ARG A 42 -4.348 -1.980 6.390 1.00 1.62 H new ATOM 0 HH11 ARG A 42 -2.781 -5.118 5.920 1.00 2.48 H new ATOM 0 HH12 ARG A 42 -1.190 -4.525 6.409 1.00 2.48 H new ATOM 0 HH21 ARG A 42 -2.285 -1.244 7.039 1.00 2.87 H new ATOM 0 HH22 ARG A 42 -0.913 -2.357 7.035 1.00 2.87 H new ATOM 680 N LEU A 43 -9.006 -1.928 2.803 1.00 0.50 N ATOM 681 CA LEU A 43 -8.910 -0.770 1.928 1.00 0.46 C ATOM 682 C LEU A 43 -8.325 0.434 2.651 1.00 0.49 C ATOM 683 O LEU A 43 -8.839 0.866 3.687 1.00 0.51 O ATOM 684 CB LEU A 43 -10.290 -0.417 1.364 1.00 0.43 C ATOM 685 CG LEU A 43 -10.915 -1.465 0.442 1.00 0.45 C ATOM 686 CD1 LEU A 43 -12.388 -1.163 0.217 1.00 0.46 C ATOM 687 CD2 LEU A 43 -10.171 -1.518 -0.880 1.00 0.50 C ATOM 0 H LEU A 43 -9.880 -1.988 3.326 1.00 0.50 H new ATOM 0 HA LEU A 43 -8.238 -1.030 1.110 1.00 0.46 H new ATOM 0 HB2 LEU A 43 -10.969 -0.241 2.198 1.00 0.43 H new ATOM 0 HB3 LEU A 43 -10.209 0.522 0.816 1.00 0.43 H new ATOM 0 HG LEU A 43 -10.834 -2.441 0.920 1.00 0.45 H new ATOM 0 HD11 LEU A 43 -12.818 -1.918 -0.441 1.00 0.46 H new ATOM 0 HD12 LEU A 43 -12.912 -1.174 1.173 1.00 0.46 H new ATOM 0 HD13 LEU A 43 -12.492 -0.180 -0.242 1.00 0.46 H new ATOM 0 HD21 LEU A 43 -10.628 -2.269 -1.525 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -10.222 -0.543 -1.365 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -9.128 -1.780 -0.700 1.00 0.50 H new ATOM 699 N ILE A 44 -7.245 0.960 2.098 1.00 0.52 N ATOM 700 CA ILE A 44 -6.578 2.122 2.650 1.00 0.57 C ATOM 701 C ILE A 44 -6.677 3.280 1.664 1.00 0.53 C ATOM 702 O ILE A 44 -6.375 3.124 0.478 1.00 0.52 O ATOM 703 CB ILE A 44 -5.092 1.836 2.960 1.00 0.65 C ATOM 704 CG1 ILE A 44 -4.972 0.636 3.903 1.00 0.78 C ATOM 705 CG2 ILE A 44 -4.423 3.065 3.570 1.00 0.73 C ATOM 706 CD1 ILE A 44 -3.543 0.228 4.192 1.00 0.92 C ATOM 0 H ILE A 44 -6.808 0.592 1.253 1.00 0.52 H new ATOM 0 HA ILE A 44 -7.073 2.379 3.587 1.00 0.57 H new ATOM 0 HB ILE A 44 -4.582 1.599 2.026 1.00 0.65 H new ATOM 0 HG12 ILE A 44 -5.470 0.873 4.843 1.00 0.78 H new ATOM 0 HG13 ILE A 44 -5.501 -0.211 3.467 1.00 0.78 H new ATOM 0 HG21 ILE A 44 -3.377 2.843 3.781 1.00 0.73 H new ATOM 0 HG22 ILE A 44 -4.483 3.897 2.869 1.00 0.73 H new ATOM 0 HG23 ILE A 44 -4.931 3.334 4.496 1.00 0.73 H new ATOM 0 HD11 ILE A 44 -3.538 -0.628 4.867 1.00 0.92 H new ATOM 0 HD12 ILE A 44 -3.046 -0.042 3.260 1.00 0.92 H new ATOM 0 HD13 ILE A 44 -3.014 1.060 4.658 1.00 0.92 H new ATOM 718 N PHE A 45 -7.111 4.434 2.153 1.00 0.55 N ATOM 719 CA PHE A 45 -7.262 5.614 1.315 1.00 0.57 C ATOM 720 C PHE A 45 -6.607 6.824 1.973 1.00 0.61 C ATOM 721 O PHE A 45 -6.947 7.184 3.102 1.00 0.67 O ATOM 722 CB PHE A 45 -8.747 5.889 1.054 1.00 0.61 C ATOM 723 CG PHE A 45 -9.000 7.001 0.074 1.00 0.68 C ATOM 724 CD1 PHE A 45 -8.626 6.873 -1.255 1.00 0.76 C ATOM 725 CD2 PHE A 45 -9.618 8.173 0.480 1.00 0.83 C ATOM 726 CE1 PHE A 45 -8.860 7.892 -2.157 1.00 0.87 C ATOM 727 CE2 PHE A 45 -9.856 9.195 -0.418 1.00 0.93 C ATOM 728 CZ PHE A 45 -9.476 9.056 -1.739 1.00 0.90 C ATOM 0 H PHE A 45 -7.365 4.577 3.130 1.00 0.55 H new ATOM 0 HA PHE A 45 -6.766 5.430 0.362 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -9.215 4.977 0.682 1.00 0.61 H new ATOM 0 HB3 PHE A 45 -9.232 6.134 1.999 1.00 0.61 H new ATOM 0 HD1 PHE A 45 -8.146 5.965 -1.589 1.00 0.76 H new ATOM 0 HD2 PHE A 45 -9.917 8.289 1.511 1.00 0.83 H new ATOM 0 HE1 PHE A 45 -8.562 7.779 -3.189 1.00 0.87 H new ATOM 0 HE2 PHE A 45 -10.339 10.103 -0.088 1.00 0.93 H new ATOM 0 HZ PHE A 45 -9.660 9.855 -2.443 1.00 0.90 H new ATOM 738 N ALA A 46 -5.646 7.424 1.264 1.00 0.68 N ATOM 739 CA ALA A 46 -4.918 8.605 1.742 1.00 0.81 C ATOM 740 C ALA A 46 -4.145 8.326 3.035 1.00 0.80 C ATOM 741 O ALA A 46 -3.707 9.252 3.718 1.00 1.25 O ATOM 742 CB ALA A 46 -5.865 9.781 1.928 1.00 0.91 C ATOM 0 H ALA A 46 -5.350 7.105 0.342 1.00 0.68 H new ATOM 0 HA ALA A 46 -4.185 8.860 0.977 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -5.305 10.646 2.283 1.00 0.91 H new ATOM 0 HB2 ALA A 46 -6.339 10.021 0.976 1.00 0.91 H new ATOM 0 HB3 ALA A 46 -6.631 9.520 2.659 1.00 0.91 H new ATOM 748 N GLY A 47 -3.990 7.051 3.370 1.00 0.91 N ATOM 749 CA GLY A 47 -3.262 6.682 4.569 1.00 0.94 C ATOM 750 C GLY A 47 -4.165 6.200 5.686 1.00 0.96 C ATOM 751 O GLY A 47 -3.695 5.620 6.665 1.00 1.23 O ATOM 0 H GLY A 47 -4.356 6.265 2.832 1.00 0.91 H new ATOM 0 HA2 GLY A 47 -2.545 5.898 4.325 1.00 0.94 H new ATOM 0 HA3 GLY A 47 -2.689 7.541 4.918 1.00 0.94 H new ATOM 755 N LYS A 48 -5.462 6.427 5.550 1.00 0.77 N ATOM 756 CA LYS A 48 -6.412 6.006 6.571 1.00 0.83 C ATOM 757 C LYS A 48 -7.256 4.835 6.077 1.00 0.71 C ATOM 758 O LYS A 48 -7.439 4.654 4.874 1.00 0.65 O ATOM 759 CB LYS A 48 -7.312 7.175 6.976 1.00 0.96 C ATOM 760 CG LYS A 48 -7.036 7.698 8.378 1.00 1.43 C ATOM 761 CD LYS A 48 -5.731 8.483 8.445 1.00 1.89 C ATOM 762 CE LYS A 48 -5.239 8.618 9.879 1.00 2.45 C ATOM 763 NZ LYS A 48 -4.148 9.621 10.010 1.00 3.10 N ATOM 0 H LYS A 48 -5.881 6.898 4.748 1.00 0.77 H new ATOM 0 HA LYS A 48 -5.849 5.678 7.445 1.00 0.83 H new ATOM 0 HB2 LYS A 48 -7.181 7.988 6.262 1.00 0.96 H new ATOM 0 HB3 LYS A 48 -8.354 6.860 6.913 1.00 0.96 H new ATOM 0 HG2 LYS A 48 -7.860 8.336 8.696 1.00 1.43 H new ATOM 0 HG3 LYS A 48 -6.993 6.862 9.076 1.00 1.43 H new ATOM 0 HD2 LYS A 48 -4.972 7.983 7.844 1.00 1.89 H new ATOM 0 HD3 LYS A 48 -5.877 9.473 8.014 1.00 1.89 H new ATOM 0 HE2 LYS A 48 -6.072 8.905 10.521 1.00 2.45 H new ATOM 0 HE3 LYS A 48 -4.883 7.650 10.231 1.00 2.45 H new ATOM 0 HZ1 LYS A 48 -3.846 9.678 11.004 1.00 3.10 H new ATOM 0 HZ2 LYS A 48 -3.341 9.336 9.419 1.00 3.10 H new ATOM 0 HZ3 LYS A 48 -4.493 10.552 9.699 1.00 3.10 H new ATOM 777 N GLN A 49 -7.766 4.039 7.010 1.00 0.76 N ATOM 778 CA GLN A 49 -8.587 2.886 6.664 1.00 0.69 C ATOM 779 C GLN A 49 -10.034 3.303 6.434 1.00 0.66 C ATOM 780 O GLN A 49 -10.547 4.197 7.108 1.00 0.79 O ATOM 781 CB GLN A 49 -8.511 1.822 7.769 1.00 0.81 C ATOM 782 CG GLN A 49 -8.968 2.316 9.136 1.00 1.02 C ATOM 783 CD GLN A 49 -9.081 1.196 10.153 1.00 1.26 C ATOM 784 OE1 GLN A 49 -9.353 0.049 9.805 1.00 1.53 O ATOM 785 NE2 GLN A 49 -8.874 1.520 11.421 1.00 1.76 N ATOM 0 H GLN A 49 -7.625 4.171 8.012 1.00 0.76 H new ATOM 0 HA GLN A 49 -8.200 2.459 5.739 1.00 0.69 H new ATOM 0 HB2 GLN A 49 -9.123 0.968 7.479 1.00 0.81 H new ATOM 0 HB3 GLN A 49 -7.484 1.467 7.847 1.00 0.81 H new ATOM 0 HG2 GLN A 49 -8.265 3.064 9.502 1.00 1.02 H new ATOM 0 HG3 GLN A 49 -9.935 2.809 9.035 1.00 1.02 H new ATOM 0 HE21 GLN A 49 -8.650 2.483 11.671 1.00 1.76 H new ATOM 0 HE22 GLN A 49 -8.938 0.806 12.147 1.00 1.76 H new ATOM 794 N LEU A 50 -10.686 2.668 5.474 1.00 0.54 N ATOM 795 CA LEU A 50 -12.073 2.980 5.170 1.00 0.55 C ATOM 796 C LEU A 50 -13.014 2.158 6.044 1.00 0.60 C ATOM 797 O LEU A 50 -13.141 0.947 5.861 1.00 0.60 O ATOM 798 CB LEU A 50 -12.367 2.712 3.693 1.00 0.50 C ATOM 799 CG LEU A 50 -11.551 3.544 2.700 1.00 0.47 C ATOM 800 CD1 LEU A 50 -11.814 3.076 1.277 1.00 0.46 C ATOM 801 CD2 LEU A 50 -11.885 5.021 2.840 1.00 0.51 C ATOM 0 H LEU A 50 -10.279 1.935 4.893 1.00 0.54 H new ATOM 0 HA LEU A 50 -12.238 4.037 5.379 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -12.188 1.656 3.490 1.00 0.50 H new ATOM 0 HB3 LEU A 50 -13.426 2.896 3.511 1.00 0.50 H new ATOM 0 HG LEU A 50 -10.493 3.407 2.923 1.00 0.47 H new ATOM 0 HD11 LEU A 50 -11.227 3.677 0.582 1.00 0.46 H new ATOM 0 HD12 LEU A 50 -11.530 2.028 1.180 1.00 0.46 H new ATOM 0 HD13 LEU A 50 -12.874 3.187 1.047 1.00 0.46 H new ATOM 0 HD21 LEU A 50 -11.295 5.597 2.126 1.00 0.51 H new ATOM 0 HD22 LEU A 50 -12.946 5.175 2.642 1.00 0.51 H new ATOM 0 HD23 LEU A 50 -11.653 5.352 3.852 1.00 0.51 H new ATOM 813 N GLU A 51 -13.653 2.816 7.005 1.00 0.70 N ATOM 814 CA GLU A 51 -14.589 2.144 7.900 1.00 0.78 C ATOM 815 C GLU A 51 -15.795 1.644 7.111 1.00 0.76 C ATOM 816 O GLU A 51 -16.267 2.316 6.194 1.00 0.77 O ATOM 817 CB GLU A 51 -15.040 3.091 9.014 1.00 0.91 C ATOM 818 CG GLU A 51 -13.893 3.741 9.768 1.00 0.97 C ATOM 819 CD GLU A 51 -14.281 5.073 10.374 1.00 1.13 C ATOM 820 OE1 GLU A 51 -14.818 5.090 11.499 1.00 1.41 O ATOM 821 OE2 GLU A 51 -14.063 6.111 9.718 1.00 1.68 O ATOM 0 H GLU A 51 -13.540 3.814 7.185 1.00 0.70 H new ATOM 0 HA GLU A 51 -14.086 1.292 8.356 1.00 0.78 H new ATOM 0 HB2 GLU A 51 -15.667 3.871 8.583 1.00 0.91 H new ATOM 0 HB3 GLU A 51 -15.659 2.538 9.720 1.00 0.91 H new ATOM 0 HG2 GLU A 51 -13.555 3.070 10.558 1.00 0.97 H new ATOM 0 HG3 GLU A 51 -13.052 3.885 9.090 1.00 0.97 H new ATOM 828 N ASP A 52 -16.293 0.476 7.483 1.00 0.79 N ATOM 829 CA ASP A 52 -17.428 -0.145 6.799 1.00 0.81 C ATOM 830 C ASP A 52 -18.689 0.725 6.842 1.00 0.89 C ATOM 831 O ASP A 52 -19.496 0.698 5.907 1.00 0.95 O ATOM 832 CB ASP A 52 -17.716 -1.529 7.400 1.00 0.90 C ATOM 833 CG ASP A 52 -18.544 -1.471 8.671 1.00 1.29 C ATOM 834 OD1 ASP A 52 -17.955 -1.329 9.766 1.00 1.69 O ATOM 835 OD2 ASP A 52 -19.778 -1.578 8.587 1.00 1.74 O ATOM 0 H ASP A 52 -15.928 -0.070 8.263 1.00 0.79 H new ATOM 0 HA ASP A 52 -17.150 -0.253 5.750 1.00 0.81 H new ATOM 0 HB2 ASP A 52 -18.239 -2.137 6.661 1.00 0.90 H new ATOM 0 HB3 ASP A 52 -16.771 -2.029 7.613 1.00 0.90 H new ATOM 840 N GLY A 53 -18.844 1.510 7.904 1.00 0.95 N ATOM 841 CA GLY A 53 -20.021 2.349 8.041 1.00 1.05 C ATOM 842 C GLY A 53 -19.871 3.709 7.390 1.00 1.07 C ATOM 843 O GLY A 53 -20.734 4.577 7.548 1.00 1.28 O ATOM 0 H GLY A 53 -18.176 1.580 8.672 1.00 0.95 H new ATOM 0 HA2 GLY A 53 -20.876 1.836 7.601 1.00 1.05 H new ATOM 0 HA3 GLY A 53 -20.240 2.484 9.100 1.00 1.05 H new ATOM 847 N ARG A 54 -18.793 3.901 6.650 1.00 0.96 N ATOM 848 CA ARG A 54 -18.542 5.169 5.984 1.00 0.99 C ATOM 849 C ARG A 54 -18.988 5.111 4.528 1.00 0.95 C ATOM 850 O ARG A 54 -19.024 4.038 3.927 1.00 0.90 O ATOM 851 CB ARG A 54 -17.054 5.521 6.046 1.00 0.99 C ATOM 852 CG ARG A 54 -16.550 5.808 7.448 1.00 1.14 C ATOM 853 CD ARG A 54 -16.783 7.254 7.835 1.00 1.26 C ATOM 854 NE ARG A 54 -16.266 7.557 9.164 1.00 1.42 N ATOM 855 CZ ARG A 54 -16.766 8.506 9.955 1.00 1.73 C ATOM 856 NH1 ARG A 54 -17.785 9.257 9.541 1.00 1.94 N ATOM 857 NH2 ARG A 54 -16.241 8.703 11.158 1.00 1.92 N ATOM 0 H ARG A 54 -18.075 3.193 6.494 1.00 0.96 H new ATOM 0 HA ARG A 54 -19.116 5.938 6.501 1.00 0.99 H new ATOM 0 HB2 ARG A 54 -16.478 4.698 5.624 1.00 0.99 H new ATOM 0 HB3 ARG A 54 -16.870 6.393 5.418 1.00 0.99 H new ATOM 0 HG2 ARG A 54 -17.055 5.154 8.159 1.00 1.14 H new ATOM 0 HG3 ARG A 54 -15.485 5.581 7.507 1.00 1.14 H new ATOM 0 HD2 ARG A 54 -16.305 7.906 7.104 1.00 1.26 H new ATOM 0 HD3 ARG A 54 -17.851 7.469 7.804 1.00 1.26 H new ATOM 0 HE ARG A 54 -15.476 7.011 9.508 1.00 1.42 H new ATOM 0 HH11 ARG A 54 -18.186 9.107 8.615 1.00 1.94 H new ATOM 0 HH12 ARG A 54 -18.164 9.982 10.150 1.00 1.94 H new ATOM 0 HH21 ARG A 54 -15.459 8.129 11.473 1.00 1.92 H new ATOM 0 HH22 ARG A 54 -16.620 9.428 11.767 1.00 1.92 H new ATOM 871 N THR A 55 -19.350 6.260 3.982 1.00 0.99 N ATOM 872 CA THR A 55 -19.765 6.354 2.592 1.00 1.00 C ATOM 873 C THR A 55 -18.680 7.061 1.786 1.00 0.95 C ATOM 874 O THR A 55 -17.647 7.455 2.340 1.00 0.93 O ATOM 875 CB THR A 55 -21.090 7.134 2.444 1.00 1.11 C ATOM 876 OG1 THR A 55 -20.918 8.491 2.881 1.00 1.31 O ATOM 877 CG2 THR A 55 -22.197 6.470 3.250 1.00 1.07 C ATOM 0 H THR A 55 -19.365 7.147 4.485 1.00 0.99 H new ATOM 0 HA THR A 55 -19.921 5.341 2.220 1.00 1.00 H new ATOM 0 HB THR A 55 -21.373 7.130 1.391 1.00 1.11 H new ATOM 0 HG1 THR A 55 -20.896 8.519 3.860 1.00 1.31 H new ATOM 0 HG21 THR A 55 -23.122 7.035 3.132 1.00 1.07 H new ATOM 0 HG22 THR A 55 -22.346 5.451 2.893 1.00 1.07 H new ATOM 0 HG23 THR A 55 -21.917 6.448 4.303 1.00 1.07 H new ATOM 885 N LEU A 56 -18.910 7.238 0.492 1.00 0.98 N ATOM 886 CA LEU A 56 -17.944 7.921 -0.356 1.00 0.95 C ATOM 887 C LEU A 56 -17.902 9.406 0.001 1.00 0.96 C ATOM 888 O LEU A 56 -16.875 10.071 -0.148 1.00 0.95 O ATOM 889 CB LEU A 56 -18.299 7.734 -1.838 1.00 1.02 C ATOM 890 CG LEU A 56 -18.364 6.279 -2.323 1.00 1.06 C ATOM 891 CD1 LEU A 56 -18.665 6.222 -3.815 1.00 1.39 C ATOM 892 CD2 LEU A 56 -17.065 5.548 -2.019 1.00 0.84 C ATOM 0 H LEU A 56 -19.751 6.921 0.010 1.00 0.98 H new ATOM 0 HA LEU A 56 -16.958 7.488 -0.187 1.00 0.95 H new ATOM 0 HB2 LEU A 56 -19.264 8.204 -2.025 1.00 1.02 H new ATOM 0 HB3 LEU A 56 -17.563 8.267 -2.440 1.00 1.02 H new ATOM 0 HG LEU A 56 -19.172 5.782 -1.787 1.00 1.06 H new ATOM 0 HD11 LEU A 56 -18.707 5.182 -4.138 1.00 1.39 H new ATOM 0 HD12 LEU A 56 -19.624 6.702 -4.011 1.00 1.39 H new ATOM 0 HD13 LEU A 56 -17.880 6.742 -4.365 1.00 1.39 H new ATOM 0 HD21 LEU A 56 -17.135 4.519 -2.372 1.00 0.84 H new ATOM 0 HD22 LEU A 56 -16.239 6.049 -2.524 1.00 0.84 H new ATOM 0 HD23 LEU A 56 -16.889 5.551 -0.943 1.00 0.84 H new ATOM 904 N SER A 57 -19.028 9.908 0.494 1.00 1.01 N ATOM 905 CA SER A 57 -19.146 11.304 0.893 1.00 1.06 C ATOM 906 C SER A 57 -18.447 11.541 2.231 1.00 1.03 C ATOM 907 O SER A 57 -17.931 12.629 2.492 1.00 1.06 O ATOM 908 CB SER A 57 -20.626 11.681 0.994 1.00 1.15 C ATOM 909 OG SER A 57 -21.451 10.539 0.797 1.00 1.11 O ATOM 0 H SER A 57 -19.879 9.362 0.628 1.00 1.01 H new ATOM 0 HA SER A 57 -18.664 11.930 0.142 1.00 1.06 H new ATOM 0 HB2 SER A 57 -20.829 12.118 1.972 1.00 1.15 H new ATOM 0 HB3 SER A 57 -20.864 12.441 0.250 1.00 1.15 H new ATOM 0 HG SER A 57 -21.343 9.923 1.552 1.00 1.11 H new ATOM 915 N ASP A 58 -18.424 10.501 3.060 1.00 1.00 N ATOM 916 CA ASP A 58 -17.803 10.559 4.385 1.00 0.99 C ATOM 917 C ASP A 58 -16.333 10.932 4.291 1.00 0.96 C ATOM 918 O ASP A 58 -15.880 11.884 4.923 1.00 1.03 O ATOM 919 CB ASP A 58 -17.910 9.202 5.082 1.00 1.03 C ATOM 920 CG ASP A 58 -19.156 9.052 5.922 1.00 1.13 C ATOM 921 OD1 ASP A 58 -20.178 8.576 5.386 1.00 1.81 O ATOM 922 OD2 ASP A 58 -19.110 9.378 7.123 1.00 1.23 O ATOM 0 H ASP A 58 -18.834 9.595 2.835 1.00 1.00 H new ATOM 0 HA ASP A 58 -18.333 11.321 4.956 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -17.892 8.414 4.329 1.00 1.03 H new ATOM 0 HB3 ASP A 58 -17.035 9.058 5.716 1.00 1.03 H new ATOM 927 N TYR A 59 -15.598 10.180 3.487 1.00 0.88 N ATOM 928 CA TYR A 59 -14.169 10.410 3.321 1.00 0.87 C ATOM 929 C TYR A 59 -13.879 11.440 2.238 1.00 0.91 C ATOM 930 O TYR A 59 -12.717 11.702 1.931 1.00 0.95 O ATOM 931 CB TYR A 59 -13.458 9.099 2.987 1.00 0.83 C ATOM 932 CG TYR A 59 -12.753 8.483 4.172 1.00 0.82 C ATOM 933 CD1 TYR A 59 -11.449 8.845 4.490 1.00 0.94 C ATOM 934 CD2 TYR A 59 -13.389 7.546 4.974 1.00 0.90 C ATOM 935 CE1 TYR A 59 -10.800 8.291 5.576 1.00 1.07 C ATOM 936 CE2 TYR A 59 -12.745 6.986 6.060 1.00 1.03 C ATOM 937 CZ TYR A 59 -11.451 7.361 6.356 1.00 1.09 C ATOM 938 OH TYR A 59 -10.809 6.808 7.439 1.00 1.31 O ATOM 0 H TYR A 59 -15.967 9.404 2.938 1.00 0.88 H new ATOM 0 HA TYR A 59 -13.793 10.803 4.266 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -14.186 8.388 2.596 1.00 0.83 H new ATOM 0 HB3 TYR A 59 -12.732 9.279 2.194 1.00 0.83 H new ATOM 0 HD1 TYR A 59 -10.935 9.571 3.878 1.00 0.94 H new ATOM 0 HD2 TYR A 59 -14.402 7.250 4.746 1.00 0.90 H new ATOM 0 HE1 TYR A 59 -9.788 8.585 5.812 1.00 1.07 H new ATOM 0 HE2 TYR A 59 -13.253 6.257 6.675 1.00 1.03 H new ATOM 0 HH TYR A 59 -10.788 5.833 7.344 1.00 1.31 H new ATOM 948 N ASN A 60 -14.937 12.017 1.669 1.00 0.95 N ATOM 949 CA ASN A 60 -14.799 13.022 0.615 1.00 1.02 C ATOM 950 C ASN A 60 -13.993 12.452 -0.548 1.00 0.96 C ATOM 951 O ASN A 60 -13.047 13.068 -1.036 1.00 1.00 O ATOM 952 CB ASN A 60 -14.126 14.284 1.168 1.00 1.15 C ATOM 953 CG ASN A 60 -14.603 15.553 0.489 1.00 1.19 C ATOM 954 OD1 ASN A 60 -14.065 15.970 -0.536 1.00 1.24 O ATOM 955 ND2 ASN A 60 -15.610 16.188 1.067 1.00 1.44 N ATOM 0 H ASN A 60 -15.902 11.805 1.921 1.00 0.95 H new ATOM 0 HA ASN A 60 -15.791 13.292 0.253 1.00 1.02 H new ATOM 0 HB2 ASN A 60 -14.322 14.355 2.238 1.00 1.15 H new ATOM 0 HB3 ASN A 60 -13.046 14.197 1.047 1.00 1.15 H new ATOM 0 HD21 ASN A 60 -15.966 17.054 0.663 1.00 1.44 H new ATOM 0 HD22 ASN A 60 -16.030 15.811 1.916 1.00 1.44 H new ATOM 962 N ILE A 61 -14.383 11.264 -0.980 1.00 0.88 N ATOM 963 CA ILE A 61 -13.702 10.580 -2.068 1.00 0.85 C ATOM 964 C ILE A 61 -14.011 11.243 -3.410 1.00 0.99 C ATOM 965 O ILE A 61 -15.170 11.363 -3.808 1.00 1.14 O ATOM 966 CB ILE A 61 -14.088 9.083 -2.098 1.00 0.77 C ATOM 967 CG1 ILE A 61 -13.647 8.406 -0.795 1.00 0.75 C ATOM 968 CG2 ILE A 61 -13.467 8.383 -3.296 1.00 0.81 C ATOM 969 CD1 ILE A 61 -13.924 6.917 -0.746 1.00 0.75 C ATOM 0 H ILE A 61 -15.173 10.750 -0.591 1.00 0.88 H new ATOM 0 HA ILE A 61 -12.629 10.655 -1.894 1.00 0.85 H new ATOM 0 HB ILE A 61 -15.171 9.007 -2.191 1.00 0.77 H new ATOM 0 HG12 ILE A 61 -12.578 8.570 -0.656 1.00 0.75 H new ATOM 0 HG13 ILE A 61 -14.155 8.887 0.041 1.00 0.75 H new ATOM 0 HG21 ILE A 61 -13.755 7.332 -3.293 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -13.819 8.853 -4.215 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -12.381 8.462 -3.241 1.00 0.81 H new ATOM 0 HD11 ILE A 61 -13.583 6.515 0.208 1.00 0.75 H new ATOM 0 HD12 ILE A 61 -14.995 6.742 -0.851 1.00 0.75 H new ATOM 0 HD13 ILE A 61 -13.394 6.421 -1.559 1.00 0.75 H new ATOM 981 N GLN A 62 -12.959 11.685 -4.093 1.00 1.02 N ATOM 982 CA GLN A 62 -13.096 12.343 -5.385 1.00 1.19 C ATOM 983 C GLN A 62 -13.362 11.328 -6.494 1.00 0.99 C ATOM 984 O GLN A 62 -13.167 10.123 -6.310 1.00 0.93 O ATOM 985 CB GLN A 62 -11.827 13.135 -5.717 1.00 1.46 C ATOM 986 CG GLN A 62 -11.515 14.253 -4.735 1.00 1.94 C ATOM 987 CD GLN A 62 -12.465 15.427 -4.865 1.00 1.99 C ATOM 988 OE1 GLN A 62 -13.499 15.487 -4.198 1.00 2.30 O ATOM 989 NE2 GLN A 62 -12.125 16.371 -5.732 1.00 2.35 N ATOM 0 H GLN A 62 -11.996 11.598 -3.769 1.00 1.02 H new ATOM 0 HA GLN A 62 -13.945 13.024 -5.322 1.00 1.19 H new ATOM 0 HB2 GLN A 62 -10.981 12.448 -5.749 1.00 1.46 H new ATOM 0 HB3 GLN A 62 -11.929 13.561 -6.715 1.00 1.46 H new ATOM 0 HG2 GLN A 62 -11.563 13.862 -3.719 1.00 1.94 H new ATOM 0 HG3 GLN A 62 -10.494 14.598 -4.896 1.00 1.94 H new ATOM 0 HE21 GLN A 62 -11.260 16.285 -6.266 1.00 2.35 H new ATOM 0 HE22 GLN A 62 -12.728 17.183 -5.865 1.00 2.35 H new ATOM 998 N LYS A 63 -13.804 11.826 -7.641 1.00 1.00 N ATOM 999 CA LYS A 63 -14.093 10.984 -8.794 1.00 0.98 C ATOM 1000 C LYS A 63 -12.810 10.363 -9.337 1.00 0.88 C ATOM 1001 O LYS A 63 -11.796 11.051 -9.472 1.00 0.95 O ATOM 1002 CB LYS A 63 -14.781 11.808 -9.885 1.00 1.20 C ATOM 1003 CG LYS A 63 -13.973 13.016 -10.343 1.00 1.20 C ATOM 1004 CD LYS A 63 -14.700 13.804 -11.419 1.00 1.48 C ATOM 1005 CE LYS A 63 -13.817 14.917 -11.961 1.00 1.48 C ATOM 1006 NZ LYS A 63 -14.570 15.879 -12.806 1.00 2.15 N ATOM 0 H LYS A 63 -13.972 12.820 -7.798 1.00 1.00 H new ATOM 0 HA LYS A 63 -14.761 10.181 -8.480 1.00 0.98 H new ATOM 0 HB2 LYS A 63 -14.976 11.166 -10.744 1.00 1.20 H new ATOM 0 HB3 LYS A 63 -15.748 12.148 -9.515 1.00 1.20 H new ATOM 0 HG2 LYS A 63 -13.773 13.664 -9.490 1.00 1.20 H new ATOM 0 HG3 LYS A 63 -13.007 12.684 -10.725 1.00 1.20 H new ATOM 0 HD2 LYS A 63 -14.992 13.137 -12.230 1.00 1.48 H new ATOM 0 HD3 LYS A 63 -15.617 14.228 -11.009 1.00 1.48 H new ATOM 0 HE2 LYS A 63 -13.359 15.451 -11.129 1.00 1.48 H new ATOM 0 HE3 LYS A 63 -13.007 14.482 -12.546 1.00 1.48 H new ATOM 0 HZ1 LYS A 63 -13.924 16.618 -13.151 1.00 2.15 H new ATOM 0 HZ2 LYS A 63 -14.986 15.377 -13.616 1.00 2.15 H new ATOM 0 HZ3 LYS A 63 -15.327 16.316 -12.243 1.00 2.15 H new ATOM 1020 N GLU A 64 -12.861 9.063 -9.632 1.00 0.94 N ATOM 1021 CA GLU A 64 -11.707 8.331 -10.158 1.00 1.00 C ATOM 1022 C GLU A 64 -10.483 8.540 -9.267 1.00 0.85 C ATOM 1023 O GLU A 64 -9.426 8.989 -9.720 1.00 0.96 O ATOM 1024 CB GLU A 64 -11.402 8.758 -11.599 1.00 1.26 C ATOM 1025 CG GLU A 64 -12.539 8.491 -12.577 1.00 1.51 C ATOM 1026 CD GLU A 64 -13.377 9.722 -12.850 1.00 1.67 C ATOM 1027 OE1 GLU A 64 -12.850 10.671 -13.468 1.00 2.05 O ATOM 1028 OE2 GLU A 64 -14.565 9.740 -12.466 1.00 1.88 O ATOM 0 H GLU A 64 -13.697 8.491 -9.514 1.00 0.94 H new ATOM 0 HA GLU A 64 -11.953 7.269 -10.161 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -11.169 9.823 -11.610 1.00 1.26 H new ATOM 0 HB3 GLU A 64 -10.510 8.233 -11.942 1.00 1.26 H new ATOM 0 HG2 GLU A 64 -12.126 8.122 -13.516 1.00 1.51 H new ATOM 0 HG3 GLU A 64 -13.178 7.703 -12.179 1.00 1.51 H new ATOM 1035 N SER A 65 -10.643 8.217 -7.995 1.00 0.78 N ATOM 1036 CA SER A 65 -9.582 8.372 -7.015 1.00 0.83 C ATOM 1037 C SER A 65 -8.636 7.172 -7.016 1.00 0.73 C ATOM 1038 O SER A 65 -8.717 6.302 -7.889 1.00 0.73 O ATOM 1039 CB SER A 65 -10.210 8.556 -5.639 1.00 1.02 C ATOM 1040 OG SER A 65 -11.538 8.064 -5.637 1.00 1.05 O ATOM 0 H SER A 65 -11.511 7.841 -7.613 1.00 0.78 H new ATOM 0 HA SER A 65 -8.987 9.248 -7.274 1.00 0.83 H new ATOM 0 HB2 SER A 65 -9.619 8.031 -4.888 1.00 1.02 H new ATOM 0 HB3 SER A 65 -10.205 9.612 -5.367 1.00 1.02 H new ATOM 0 HG SER A 65 -12.154 8.783 -5.891 1.00 1.05 H new ATOM 1046 N THR A 66 -7.742 7.135 -6.036 1.00 0.74 N ATOM 1047 CA THR A 66 -6.778 6.055 -5.920 1.00 0.70 C ATOM 1048 C THR A 66 -6.897 5.347 -4.573 1.00 0.61 C ATOM 1049 O THR A 66 -6.457 5.861 -3.543 1.00 0.65 O ATOM 1050 CB THR A 66 -5.339 6.581 -6.094 1.00 0.82 C ATOM 1051 OG1 THR A 66 -5.220 7.264 -7.351 1.00 1.03 O ATOM 1052 CG2 THR A 66 -4.332 5.441 -6.030 1.00 1.01 C ATOM 0 H THR A 66 -7.667 7.846 -5.308 1.00 0.74 H new ATOM 0 HA THR A 66 -6.998 5.341 -6.713 1.00 0.70 H new ATOM 0 HB THR A 66 -5.126 7.274 -5.280 1.00 0.82 H new ATOM 0 HG1 THR A 66 -4.468 7.891 -7.313 1.00 1.03 H new ATOM 0 HG21 THR A 66 -3.325 5.838 -6.155 1.00 1.01 H new ATOM 0 HG22 THR A 66 -4.408 4.942 -5.064 1.00 1.01 H new ATOM 0 HG23 THR A 66 -4.542 4.725 -6.825 1.00 1.01 H new ATOM 1060 N LEU A 67 -7.514 4.175 -4.590 1.00 0.56 N ATOM 1061 CA LEU A 67 -7.678 3.374 -3.384 1.00 0.52 C ATOM 1062 C LEU A 67 -6.630 2.270 -3.368 1.00 0.51 C ATOM 1063 O LEU A 67 -6.087 1.912 -4.412 1.00 0.58 O ATOM 1064 CB LEU A 67 -9.081 2.761 -3.322 1.00 0.51 C ATOM 1065 CG LEU A 67 -10.203 3.709 -2.883 1.00 0.61 C ATOM 1066 CD1 LEU A 67 -10.596 4.651 -4.012 1.00 0.64 C ATOM 1067 CD2 LEU A 67 -11.408 2.911 -2.415 1.00 0.69 C ATOM 0 H LEU A 67 -7.912 3.755 -5.430 1.00 0.56 H new ATOM 0 HA LEU A 67 -7.550 4.018 -2.514 1.00 0.52 H new ATOM 0 HB2 LEU A 67 -9.329 2.367 -4.307 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -9.057 1.914 -2.636 1.00 0.51 H new ATOM 0 HG LEU A 67 -9.835 4.313 -2.054 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -11.394 5.312 -3.673 1.00 0.64 H new ATOM 0 HD12 LEU A 67 -9.732 5.246 -4.307 1.00 0.64 H new ATOM 0 HD13 LEU A 67 -10.944 4.070 -4.866 1.00 0.64 H new ATOM 0 HD21 LEU A 67 -12.199 3.594 -2.105 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -11.768 2.284 -3.231 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -11.122 2.281 -1.573 1.00 0.69 H new ATOM 1079 N HIS A 68 -6.337 1.736 -2.195 1.00 0.51 N ATOM 1080 CA HIS A 68 -5.350 0.673 -2.089 1.00 0.57 C ATOM 1081 C HIS A 68 -5.900 -0.507 -1.303 1.00 0.49 C ATOM 1082 O HIS A 68 -6.372 -0.350 -0.180 1.00 0.44 O ATOM 1083 CB HIS A 68 -4.064 1.185 -1.441 1.00 0.68 C ATOM 1084 CG HIS A 68 -3.008 1.542 -2.442 1.00 0.93 C ATOM 1085 ND1 HIS A 68 -1.870 0.789 -2.638 1.00 1.16 N ATOM 1086 CD2 HIS A 68 -2.932 2.567 -3.321 1.00 1.50 C ATOM 1087 CE1 HIS A 68 -1.142 1.337 -3.592 1.00 1.40 C ATOM 1088 NE2 HIS A 68 -1.766 2.415 -4.026 1.00 1.66 N ATOM 0 H HIS A 68 -6.762 2.016 -1.311 1.00 0.51 H new ATOM 0 HA HIS A 68 -5.119 0.336 -3.099 1.00 0.57 H new ATOM 0 HB2 HIS A 68 -4.293 2.061 -0.834 1.00 0.68 H new ATOM 0 HB3 HIS A 68 -3.675 0.423 -0.766 1.00 0.68 H new ATOM 0 HD2 HIS A 68 -3.656 3.359 -3.445 1.00 1.50 H new ATOM 0 HE1 HIS A 68 -0.195 0.966 -3.956 1.00 1.40 H new ATOM 0 HE2 HIS A 68 -1.435 3.035 -4.766 1.00 1.66 H new ATOM 1097 N LEU A 69 -5.844 -1.680 -1.912 1.00 0.54 N ATOM 1098 CA LEU A 69 -6.325 -2.897 -1.284 1.00 0.52 C ATOM 1099 C LEU A 69 -5.155 -3.737 -0.797 1.00 0.61 C ATOM 1100 O LEU A 69 -4.424 -4.336 -1.593 1.00 0.72 O ATOM 1101 CB LEU A 69 -7.191 -3.701 -2.261 1.00 0.59 C ATOM 1102 CG LEU A 69 -7.699 -5.050 -1.737 1.00 0.61 C ATOM 1103 CD1 LEU A 69 -8.512 -4.865 -0.464 1.00 0.55 C ATOM 1104 CD2 LEU A 69 -8.532 -5.751 -2.801 1.00 0.84 C ATOM 0 H LEU A 69 -5.466 -1.814 -2.850 1.00 0.54 H new ATOM 0 HA LEU A 69 -6.939 -2.624 -0.426 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -8.051 -3.093 -2.542 1.00 0.59 H new ATOM 0 HB3 LEU A 69 -6.615 -3.877 -3.169 1.00 0.59 H new ATOM 0 HG LEU A 69 -6.835 -5.672 -1.502 1.00 0.61 H new ATOM 0 HD11 LEU A 69 -8.862 -5.835 -0.111 1.00 0.55 H new ATOM 0 HD12 LEU A 69 -7.889 -4.403 0.302 1.00 0.55 H new ATOM 0 HD13 LEU A 69 -9.369 -4.223 -0.670 1.00 0.55 H new ATOM 0 HD21 LEU A 69 -8.886 -6.707 -2.415 1.00 0.84 H new ATOM 0 HD22 LEU A 69 -9.386 -5.127 -3.064 1.00 0.84 H new ATOM 0 HD23 LEU A 69 -7.921 -5.921 -3.688 1.00 0.84 H new ATOM 1116 N VAL A 70 -4.973 -3.759 0.510 1.00 0.64 N ATOM 1117 CA VAL A 70 -3.904 -4.518 1.126 1.00 0.79 C ATOM 1118 C VAL A 70 -4.505 -5.695 1.883 1.00 0.76 C ATOM 1119 O VAL A 70 -5.708 -5.718 2.137 1.00 0.70 O ATOM 1120 CB VAL A 70 -3.072 -3.636 2.091 1.00 0.92 C ATOM 1121 CG1 VAL A 70 -1.759 -4.311 2.461 1.00 1.24 C ATOM 1122 CG2 VAL A 70 -2.804 -2.272 1.474 1.00 1.10 C ATOM 0 H VAL A 70 -5.561 -3.252 1.172 1.00 0.64 H new ATOM 0 HA VAL A 70 -3.234 -4.878 0.345 1.00 0.79 H new ATOM 0 HB VAL A 70 -3.655 -3.502 3.002 1.00 0.92 H new ATOM 0 HG11 VAL A 70 -1.198 -3.668 3.139 1.00 1.24 H new ATOM 0 HG12 VAL A 70 -1.965 -5.263 2.951 1.00 1.24 H new ATOM 0 HG13 VAL A 70 -1.173 -4.486 1.559 1.00 1.24 H new ATOM 0 HG21 VAL A 70 -2.219 -1.668 2.167 1.00 1.10 H new ATOM 0 HG22 VAL A 70 -2.250 -2.396 0.544 1.00 1.10 H new ATOM 0 HG23 VAL A 70 -3.751 -1.773 1.269 1.00 1.10 H new ATOM 1132 N LEU A 71 -3.688 -6.679 2.217 1.00 0.84 N ATOM 1133 CA LEU A 71 -4.166 -7.840 2.949 1.00 0.85 C ATOM 1134 C LEU A 71 -3.899 -7.672 4.439 1.00 0.87 C ATOM 1135 O LEU A 71 -3.079 -6.844 4.847 1.00 1.21 O ATOM 1136 CB LEU A 71 -3.495 -9.123 2.437 1.00 0.95 C ATOM 1137 CG LEU A 71 -4.021 -9.650 1.096 1.00 1.24 C ATOM 1138 CD1 LEU A 71 -3.344 -8.944 -0.068 1.00 1.62 C ATOM 1139 CD2 LEU A 71 -3.822 -11.158 1.002 1.00 1.37 C ATOM 0 H LEU A 71 -2.693 -6.698 1.994 1.00 0.84 H new ATOM 0 HA LEU A 71 -5.241 -7.924 2.788 1.00 0.85 H new ATOM 0 HB2 LEU A 71 -2.425 -8.940 2.342 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -3.619 -9.903 3.189 1.00 0.95 H new ATOM 0 HG LEU A 71 -5.089 -9.439 1.041 1.00 1.24 H new ATOM 0 HD11 LEU A 71 -3.734 -9.335 -1.008 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -3.543 -7.874 -0.010 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.269 -9.116 -0.022 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.201 -11.516 0.045 1.00 1.37 H new ATOM 0 HD22 LEU A 71 -2.760 -11.391 1.082 1.00 1.37 H new ATOM 0 HD23 LEU A 71 -4.363 -11.648 1.812 1.00 1.37 H new ATOM 1151 N ARG A 72 -4.607 -8.443 5.249 1.00 1.17 N ATOM 1152 CA ARG A 72 -4.436 -8.389 6.696 1.00 1.21 C ATOM 1153 C ARG A 72 -3.245 -9.241 7.124 1.00 1.35 C ATOM 1154 O ARG A 72 -3.037 -10.342 6.608 1.00 1.52 O ATOM 1155 CB ARG A 72 -5.715 -8.849 7.420 1.00 1.30 C ATOM 1156 CG ARG A 72 -6.329 -10.127 6.860 1.00 1.46 C ATOM 1157 CD ARG A 72 -6.074 -11.334 7.757 1.00 1.36 C ATOM 1158 NE ARG A 72 -5.013 -12.193 7.231 1.00 1.51 N ATOM 1159 CZ ARG A 72 -5.181 -13.481 6.911 1.00 1.68 C ATOM 1160 NH1 ARG A 72 -6.356 -14.071 7.104 1.00 1.84 N ATOM 1161 NH2 ARG A 72 -4.167 -14.179 6.413 1.00 1.99 N ATOM 0 H ARG A 72 -5.306 -9.114 4.931 1.00 1.17 H new ATOM 0 HA ARG A 72 -4.242 -7.353 6.976 1.00 1.21 H new ATOM 0 HB2 ARG A 72 -5.486 -9.002 8.475 1.00 1.30 H new ATOM 0 HB3 ARG A 72 -6.455 -8.051 7.367 1.00 1.30 H new ATOM 0 HG2 ARG A 72 -7.403 -9.988 6.738 1.00 1.46 H new ATOM 0 HG3 ARG A 72 -5.918 -10.321 5.869 1.00 1.46 H new ATOM 0 HD2 ARG A 72 -5.802 -10.992 8.756 1.00 1.36 H new ATOM 0 HD3 ARG A 72 -6.993 -11.912 7.857 1.00 1.36 H new ATOM 0 HE ARG A 72 -4.088 -11.784 7.100 1.00 1.51 H new ATOM 0 HH11 ARG A 72 -7.134 -13.542 7.497 1.00 1.84 H new ATOM 0 HH12 ARG A 72 -6.480 -15.053 6.859 1.00 1.84 H new ATOM 0 HH21 ARG A 72 -3.260 -13.733 6.275 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -4.295 -15.161 6.169 1.00 1.99 H new ATOM 1175 N LEU A 73 -2.466 -8.727 8.061 1.00 1.36 N ATOM 1176 CA LEU A 73 -1.298 -9.441 8.557 1.00 1.55 C ATOM 1177 C LEU A 73 -1.731 -10.492 9.562 1.00 1.62 C ATOM 1178 O LEU A 73 -1.291 -11.640 9.514 1.00 1.83 O ATOM 1179 CB LEU A 73 -0.307 -8.471 9.209 1.00 1.60 C ATOM 1180 CG LEU A 73 0.909 -9.125 9.868 1.00 1.89 C ATOM 1181 CD1 LEU A 73 1.820 -9.743 8.821 1.00 2.09 C ATOM 1182 CD2 LEU A 73 1.669 -8.110 10.712 1.00 1.97 C ATOM 0 H LEU A 73 -2.620 -7.817 8.495 1.00 1.36 H new ATOM 0 HA LEU A 73 -0.802 -9.926 7.716 1.00 1.55 H new ATOM 0 HB2 LEU A 73 0.044 -7.771 8.450 1.00 1.60 H new ATOM 0 HB3 LEU A 73 -0.837 -7.887 9.961 1.00 1.60 H new ATOM 0 HG LEU A 73 0.557 -9.921 10.524 1.00 1.89 H new ATOM 0 HD11 LEU A 73 2.678 -10.203 9.311 1.00 2.09 H new ATOM 0 HD12 LEU A 73 1.271 -10.502 8.264 1.00 2.09 H new ATOM 0 HD13 LEU A 73 2.165 -8.968 8.136 1.00 2.09 H new ATOM 0 HD21 LEU A 73 2.531 -8.593 11.173 1.00 1.97 H new ATOM 0 HD22 LEU A 73 2.008 -7.291 10.078 1.00 1.97 H new ATOM 0 HD23 LEU A 73 1.013 -7.719 11.490 1.00 1.97 H new ATOM 1194 N ARG A 74 -2.612 -10.089 10.465 1.00 1.51 N ATOM 1195 CA ARG A 74 -3.117 -10.981 11.488 1.00 1.62 C ATOM 1196 C ARG A 74 -4.634 -11.061 11.411 1.00 1.56 C ATOM 1197 O ARG A 74 -5.304 -10.048 11.216 1.00 1.63 O ATOM 1198 CB ARG A 74 -2.691 -10.496 12.875 1.00 1.72 C ATOM 1199 CG ARG A 74 -1.185 -10.445 13.067 1.00 1.87 C ATOM 1200 CD ARG A 74 -0.822 -9.878 14.429 1.00 2.28 C ATOM 1201 NE ARG A 74 0.620 -9.701 14.583 1.00 2.26 N ATOM 1202 CZ ARG A 74 1.189 -9.100 15.624 1.00 2.65 C ATOM 1203 NH1 ARG A 74 0.440 -8.629 16.614 1.00 3.32 N ATOM 1204 NH2 ARG A 74 2.511 -8.969 15.675 1.00 2.70 N ATOM 0 H ARG A 74 -2.992 -9.143 10.507 1.00 1.51 H new ATOM 0 HA ARG A 74 -2.700 -11.974 11.319 1.00 1.62 H new ATOM 0 HB2 ARG A 74 -3.104 -9.502 13.046 1.00 1.72 H new ATOM 0 HB3 ARG A 74 -3.123 -11.154 13.629 1.00 1.72 H new ATOM 0 HG2 ARG A 74 -0.769 -11.447 12.965 1.00 1.87 H new ATOM 0 HG3 ARG A 74 -0.737 -9.833 12.284 1.00 1.87 H new ATOM 0 HD2 ARG A 74 -1.321 -8.919 14.567 1.00 2.28 H new ATOM 0 HD3 ARG A 74 -1.191 -10.544 15.209 1.00 2.28 H new ATOM 0 HE ARG A 74 1.228 -10.060 13.847 1.00 2.26 H new ATOM 0 HH11 ARG A 74 -0.575 -8.728 16.577 1.00 3.32 H new ATOM 0 HH12 ARG A 74 0.879 -8.169 17.411 1.00 3.32 H new ATOM 0 HH21 ARG A 74 3.089 -9.329 14.916 1.00 2.70 H new ATOM 0 HH22 ARG A 74 2.947 -8.508 16.473 1.00 2.70 H new ATOM 1218 N GLY A 75 -5.165 -12.264 11.547 1.00 1.69 N ATOM 1219 CA GLY A 75 -6.599 -12.448 11.501 1.00 1.67 C ATOM 1220 C GLY A 75 -7.190 -12.541 12.891 1.00 1.77 C ATOM 1221 O GLY A 75 -8.411 -12.609 13.059 1.00 2.16 O ATOM 0 H GLY A 75 -4.627 -13.119 11.689 1.00 1.69 H new ATOM 0 HA2 GLY A 75 -7.057 -11.617 10.965 1.00 1.67 H new ATOM 0 HA3 GLY A 75 -6.833 -13.355 10.943 1.00 1.67 H new ATOM 1326 N LYS B 56 21.023 0.427 -8.215 1.00 0.94 N ATOM 1327 CA LYS B 56 20.819 1.155 -6.974 1.00 0.68 C ATOM 1328 C LYS B 56 19.840 2.298 -7.213 1.00 0.61 C ATOM 1329 O LYS B 56 19.986 3.059 -8.175 1.00 0.68 O ATOM 1330 CB LYS B 56 22.154 1.686 -6.444 1.00 0.81 C ATOM 1331 CG LYS B 56 23.178 0.593 -6.175 1.00 1.31 C ATOM 1332 CD LYS B 56 22.796 -0.258 -4.971 1.00 0.93 C ATOM 1333 CE LYS B 56 23.608 -1.544 -4.920 1.00 1.34 C ATOM 1334 NZ LYS B 56 24.063 -1.859 -3.541 1.00 1.52 N ATOM 0 HA LYS B 56 20.402 0.483 -6.224 1.00 0.68 H new ATOM 0 HB2 LYS B 56 22.568 2.391 -7.165 1.00 0.81 H new ATOM 0 HB3 LYS B 56 21.975 2.240 -5.523 1.00 0.81 H new ATOM 0 HG2 LYS B 56 23.270 -0.043 -7.055 1.00 1.31 H new ATOM 0 HG3 LYS B 56 24.155 1.045 -6.005 1.00 1.31 H new ATOM 0 HD2 LYS B 56 22.956 0.312 -4.056 1.00 0.93 H new ATOM 0 HD3 LYS B 56 21.734 -0.498 -5.016 1.00 0.93 H new ATOM 0 HE2 LYS B 56 23.006 -2.369 -5.301 1.00 1.34 H new ATOM 0 HE3 LYS B 56 24.474 -1.453 -5.576 1.00 1.34 H new ATOM 0 HZ1 LYS B 56 24.669 -2.704 -3.560 1.00 1.52 H new ATOM 0 HZ2 LYS B 56 24.602 -1.055 -3.161 1.00 1.52 H new ATOM 0 HZ3 LYS B 56 23.237 -2.039 -2.935 1.00 1.52 H new ATOM 1348 N VAL B 57 18.841 2.409 -6.351 1.00 0.56 N ATOM 1349 CA VAL B 57 17.827 3.447 -6.495 1.00 0.53 C ATOM 1350 C VAL B 57 18.157 4.669 -5.646 1.00 0.53 C ATOM 1351 O VAL B 57 18.718 4.551 -4.558 1.00 0.57 O ATOM 1352 CB VAL B 57 16.424 2.929 -6.118 1.00 0.49 C ATOM 1353 CG1 VAL B 57 15.347 3.761 -6.798 1.00 0.57 C ATOM 1354 CG2 VAL B 57 16.272 1.464 -6.484 1.00 0.54 C ATOM 0 H VAL B 57 18.709 1.796 -5.546 1.00 0.56 H new ATOM 0 HA VAL B 57 17.824 3.734 -7.546 1.00 0.53 H new ATOM 0 HB VAL B 57 16.306 3.025 -5.039 1.00 0.49 H new ATOM 0 HG11 VAL B 57 14.364 3.381 -6.520 1.00 0.57 H new ATOM 0 HG12 VAL B 57 15.437 4.800 -6.482 1.00 0.57 H new ATOM 0 HG13 VAL B 57 15.468 3.699 -7.879 1.00 0.57 H new ATOM 0 HG21 VAL B 57 15.275 1.122 -6.208 1.00 0.54 H new ATOM 0 HG22 VAL B 57 16.414 1.341 -7.558 1.00 0.54 H new ATOM 0 HG23 VAL B 57 17.018 0.876 -5.949 1.00 0.54 H new ATOM 1364 N LEU B 58 17.795 5.841 -6.148 1.00 0.64 N ATOM 1365 CA LEU B 58 18.057 7.094 -5.454 1.00 0.67 C ATOM 1366 C LEU B 58 16.810 7.590 -4.721 1.00 0.67 C ATOM 1367 O LEU B 58 15.690 7.439 -5.210 1.00 0.97 O ATOM 1368 CB LEU B 58 18.535 8.149 -6.463 1.00 0.85 C ATOM 1369 CG LEU B 58 18.726 9.564 -5.909 1.00 0.87 C ATOM 1370 CD1 LEU B 58 20.024 10.163 -6.427 1.00 1.04 C ATOM 1371 CD2 LEU B 58 17.547 10.451 -6.287 1.00 1.26 C ATOM 0 H LEU B 58 17.315 5.950 -7.041 1.00 0.64 H new ATOM 0 HA LEU B 58 18.835 6.923 -4.710 1.00 0.67 H new ATOM 0 HB2 LEU B 58 19.481 7.815 -6.888 1.00 0.85 H new ATOM 0 HB3 LEU B 58 17.816 8.194 -7.281 1.00 0.85 H new ATOM 0 HG LEU B 58 18.778 9.504 -4.822 1.00 0.87 H new ATOM 0 HD11 LEU B 58 20.146 11.169 -6.025 1.00 1.04 H new ATOM 0 HD12 LEU B 58 20.863 9.542 -6.112 1.00 1.04 H new ATOM 0 HD13 LEU B 58 19.995 10.208 -7.516 1.00 1.04 H new ATOM 0 HD21 LEU B 58 17.701 11.452 -5.884 1.00 1.26 H new ATOM 0 HD22 LEU B 58 17.466 10.505 -7.373 1.00 1.26 H new ATOM 0 HD23 LEU B 58 16.629 10.032 -5.875 1.00 1.26 H new ATOM 1383 N TYR B 59 17.019 8.164 -3.543 1.00 0.54 N ATOM 1384 CA TYR B 59 15.932 8.709 -2.743 1.00 0.57 C ATOM 1385 C TYR B 59 16.356 10.050 -2.143 1.00 0.58 C ATOM 1386 O TYR B 59 17.430 10.166 -1.549 1.00 0.62 O ATOM 1387 CB TYR B 59 15.507 7.728 -1.634 1.00 0.63 C ATOM 1388 CG TYR B 59 16.407 7.725 -0.411 1.00 0.72 C ATOM 1389 CD1 TYR B 59 17.640 7.086 -0.433 1.00 0.75 C ATOM 1390 CD2 TYR B 59 16.026 8.369 0.762 1.00 0.88 C ATOM 1391 CE1 TYR B 59 18.466 7.085 0.675 1.00 0.97 C ATOM 1392 CE2 TYR B 59 16.847 8.373 1.876 1.00 1.05 C ATOM 1393 CZ TYR B 59 18.066 7.731 1.826 1.00 1.10 C ATOM 1394 OH TYR B 59 18.893 7.732 2.930 1.00 1.35 O ATOM 0 H TYR B 59 17.941 8.264 -3.118 1.00 0.54 H new ATOM 0 HA TYR B 59 15.070 8.864 -3.392 1.00 0.57 H new ATOM 0 HB2 TYR B 59 14.492 7.972 -1.321 1.00 0.63 H new ATOM 0 HB3 TYR B 59 15.478 6.721 -2.050 1.00 0.63 H new ATOM 0 HD1 TYR B 59 17.959 6.581 -1.333 1.00 0.75 H new ATOM 0 HD2 TYR B 59 15.073 8.875 0.804 1.00 0.88 H new ATOM 0 HE1 TYR B 59 19.420 6.581 0.640 1.00 0.97 H new ATOM 0 HE2 TYR B 59 16.535 8.876 2.779 1.00 1.05 H new ATOM 0 HH TYR B 59 18.466 8.231 3.658 1.00 1.35 H new ATOM 1404 N GLU B 60 15.534 11.068 -2.363 1.00 0.64 N ATOM 1405 CA GLU B 60 15.776 12.419 -1.843 1.00 0.68 C ATOM 1406 C GLU B 60 17.157 12.972 -2.222 1.00 0.74 C ATOM 1407 O GLU B 60 17.690 13.844 -1.534 1.00 0.82 O ATOM 1408 CB GLU B 60 15.601 12.442 -0.321 1.00 0.75 C ATOM 1409 CG GLU B 60 14.189 12.095 0.124 1.00 0.88 C ATOM 1410 CD GLU B 60 14.009 12.187 1.624 1.00 1.88 C ATOM 1411 OE1 GLU B 60 13.717 13.291 2.125 1.00 2.51 O ATOM 1412 OE2 GLU B 60 14.147 11.156 2.309 1.00 2.64 O ATOM 0 H GLU B 60 14.676 10.986 -2.908 1.00 0.64 H new ATOM 0 HA GLU B 60 15.036 13.069 -2.310 1.00 0.68 H new ATOM 0 HB2 GLU B 60 16.301 11.738 0.130 1.00 0.75 H new ATOM 0 HB3 GLU B 60 15.860 13.432 0.053 1.00 0.75 H new ATOM 0 HG2 GLU B 60 13.483 12.767 -0.364 1.00 0.88 H new ATOM 0 HG3 GLU B 60 13.947 11.085 -0.205 1.00 0.88 H new ATOM 1419 N GLY B 61 17.736 12.468 -3.309 1.00 0.81 N ATOM 1420 CA GLY B 61 19.033 12.954 -3.747 1.00 0.99 C ATOM 1421 C GLY B 61 20.190 12.042 -3.374 1.00 1.03 C ATOM 1422 O GLY B 61 21.330 12.290 -3.777 1.00 1.27 O ATOM 0 H GLY B 61 17.332 11.735 -3.892 1.00 0.81 H new ATOM 0 HA2 GLY B 61 19.016 13.079 -4.830 1.00 0.99 H new ATOM 0 HA3 GLY B 61 19.206 13.939 -3.315 1.00 0.99 H new ATOM 1426 N LYS B 62 19.917 10.992 -2.610 1.00 0.90 N ATOM 1427 CA LYS B 62 20.964 10.060 -2.204 1.00 1.00 C ATOM 1428 C LYS B 62 20.706 8.670 -2.773 1.00 0.88 C ATOM 1429 O LYS B 62 19.569 8.216 -2.819 1.00 0.78 O ATOM 1430 CB LYS B 62 21.051 9.985 -0.682 1.00 1.08 C ATOM 1431 CG LYS B 62 22.295 9.262 -0.188 1.00 1.44 C ATOM 1432 CD LYS B 62 22.032 8.509 1.105 1.00 1.44 C ATOM 1433 CE LYS B 62 21.680 9.455 2.237 1.00 1.32 C ATOM 1434 NZ LYS B 62 21.454 8.727 3.509 1.00 1.45 N ATOM 0 H LYS B 62 18.986 10.764 -2.260 1.00 0.90 H new ATOM 0 HA LYS B 62 21.911 10.428 -2.598 1.00 1.00 H new ATOM 0 HB2 LYS B 62 21.040 10.996 -0.274 1.00 1.08 H new ATOM 0 HB3 LYS B 62 20.167 9.476 -0.299 1.00 1.08 H new ATOM 0 HG2 LYS B 62 22.638 8.564 -0.952 1.00 1.44 H new ATOM 0 HG3 LYS B 62 23.097 9.983 -0.032 1.00 1.44 H new ATOM 0 HD2 LYS B 62 21.218 7.800 0.955 1.00 1.44 H new ATOM 0 HD3 LYS B 62 22.914 7.929 1.375 1.00 1.44 H new ATOM 0 HE2 LYS B 62 22.484 10.179 2.370 1.00 1.32 H new ATOM 0 HE3 LYS B 62 20.784 10.018 1.976 1.00 1.32 H new ATOM 0 HZ1 LYS B 62 21.485 9.398 4.303 1.00 1.45 H new ATOM 0 HZ2 LYS B 62 20.523 8.264 3.483 1.00 1.45 H new ATOM 0 HZ3 LYS B 62 22.195 8.008 3.634 1.00 1.45 H new ATOM 1448 N GLU B 63 21.767 7.997 -3.201 1.00 0.95 N ATOM 1449 CA GLU B 63 21.637 6.661 -3.761 1.00 0.88 C ATOM 1450 C GLU B 63 21.692 5.597 -2.668 1.00 0.89 C ATOM 1451 O GLU B 63 22.566 5.625 -1.800 1.00 1.05 O ATOM 1452 CB GLU B 63 22.732 6.401 -4.794 1.00 1.03 C ATOM 1453 CG GLU B 63 22.554 7.197 -6.075 1.00 1.17 C ATOM 1454 CD GLU B 63 23.497 6.749 -7.171 1.00 1.35 C ATOM 1455 OE1 GLU B 63 24.696 7.093 -7.104 1.00 1.35 O ATOM 1456 OE2 GLU B 63 23.047 6.051 -8.101 1.00 1.91 O ATOM 0 H GLU B 63 22.722 8.354 -3.171 1.00 0.95 H new ATOM 0 HA GLU B 63 20.665 6.602 -4.251 1.00 0.88 H new ATOM 0 HB2 GLU B 63 23.700 6.644 -4.356 1.00 1.03 H new ATOM 0 HB3 GLU B 63 22.749 5.338 -5.035 1.00 1.03 H new ATOM 0 HG2 GLU B 63 21.525 7.097 -6.421 1.00 1.17 H new ATOM 0 HG3 GLU B 63 22.719 8.254 -5.868 1.00 1.17 H new ATOM 1463 N PHE B 64 20.749 4.668 -2.717 1.00 0.78 N ATOM 1464 CA PHE B 64 20.673 3.585 -1.751 1.00 0.84 C ATOM 1465 C PHE B 64 20.505 2.260 -2.486 1.00 0.86 C ATOM 1466 O PHE B 64 20.671 2.201 -3.703 1.00 0.97 O ATOM 1467 CB PHE B 64 19.497 3.815 -0.798 1.00 0.78 C ATOM 1468 CG PHE B 64 19.811 3.517 0.639 1.00 0.85 C ATOM 1469 CD1 PHE B 64 20.668 4.334 1.361 1.00 0.98 C ATOM 1470 CD2 PHE B 64 19.247 2.419 1.271 1.00 0.89 C ATOM 1471 CE1 PHE B 64 20.956 4.061 2.683 1.00 1.07 C ATOM 1472 CE2 PHE B 64 19.530 2.142 2.594 1.00 1.01 C ATOM 1473 CZ PHE B 64 20.387 2.963 3.302 1.00 1.06 C ATOM 0 H PHE B 64 20.017 4.645 -3.427 1.00 0.78 H new ATOM 0 HA PHE B 64 21.593 3.556 -1.167 1.00 0.84 H new ATOM 0 HB2 PHE B 64 19.172 4.852 -0.881 1.00 0.78 H new ATOM 0 HB3 PHE B 64 18.660 3.193 -1.113 1.00 0.78 H new ATOM 0 HD1 PHE B 64 21.115 5.193 0.884 1.00 0.98 H new ATOM 0 HD2 PHE B 64 18.578 1.773 0.722 1.00 0.89 H new ATOM 0 HE1 PHE B 64 21.626 4.705 3.234 1.00 1.07 H new ATOM 0 HE2 PHE B 64 19.082 1.285 3.075 1.00 1.01 H new ATOM 0 HZ PHE B 64 20.612 2.748 4.336 1.00 1.06 H new ATOM 1483 N ASP B 65 20.181 1.207 -1.753 1.00 0.82 N ATOM 1484 CA ASP B 65 19.981 -0.106 -2.352 1.00 0.85 C ATOM 1485 C ASP B 65 18.694 -0.116 -3.169 1.00 0.82 C ATOM 1486 O ASP B 65 18.702 0.141 -4.376 1.00 0.92 O ATOM 1487 CB ASP B 65 19.908 -1.192 -1.276 1.00 0.87 C ATOM 1488 CG ASP B 65 21.254 -1.784 -0.916 1.00 1.21 C ATOM 1489 OD1 ASP B 65 22.153 -1.804 -1.781 1.00 1.57 O ATOM 1490 OD2 ASP B 65 21.407 -2.250 0.237 1.00 1.81 O ATOM 0 H ASP B 65 20.050 1.234 -0.742 1.00 0.82 H new ATOM 0 HA ASP B 65 20.830 -0.314 -3.003 1.00 0.85 H new ATOM 0 HB2 ASP B 65 19.454 -0.772 -0.378 1.00 0.87 H new ATOM 0 HB3 ASP B 65 19.251 -1.990 -1.622 1.00 0.87 H new ATOM 1495 N TYR B 66 17.587 -0.391 -2.497 1.00 0.72 N ATOM 1496 CA TYR B 66 16.284 -0.432 -3.140 1.00 0.72 C ATOM 1497 C TYR B 66 15.287 0.389 -2.338 1.00 0.59 C ATOM 1498 O TYR B 66 15.179 0.231 -1.121 1.00 0.54 O ATOM 1499 CB TYR B 66 15.793 -1.876 -3.270 1.00 0.83 C ATOM 1500 CG TYR B 66 16.623 -2.726 -4.208 1.00 1.06 C ATOM 1501 CD1 TYR B 66 16.523 -2.579 -5.586 1.00 1.21 C ATOM 1502 CD2 TYR B 66 17.508 -3.677 -3.711 1.00 1.26 C ATOM 1503 CE1 TYR B 66 17.280 -3.356 -6.443 1.00 1.48 C ATOM 1504 CE2 TYR B 66 18.268 -4.457 -4.564 1.00 1.52 C ATOM 1505 CZ TYR B 66 18.150 -4.292 -5.927 1.00 1.62 C ATOM 1506 OH TYR B 66 18.905 -5.067 -6.778 1.00 1.92 O ATOM 0 H TYR B 66 17.566 -0.591 -1.497 1.00 0.72 H new ATOM 0 HA TYR B 66 16.375 -0.008 -4.140 1.00 0.72 H new ATOM 0 HB2 TYR B 66 15.791 -2.338 -2.283 1.00 0.83 H new ATOM 0 HB3 TYR B 66 14.761 -1.868 -3.621 1.00 0.83 H new ATOM 0 HD1 TYR B 66 15.843 -1.846 -5.994 1.00 1.21 H new ATOM 0 HD2 TYR B 66 17.603 -3.808 -2.643 1.00 1.26 H new ATOM 0 HE1 TYR B 66 17.190 -3.230 -7.512 1.00 1.48 H new ATOM 0 HE2 TYR B 66 18.951 -5.192 -4.164 1.00 1.52 H new ATOM 0 HH TYR B 66 19.467 -5.676 -6.254 1.00 1.92 H new ATOM 1516 N VAL B 67 14.570 1.275 -3.009 1.00 0.71 N ATOM 1517 CA VAL B 67 13.588 2.107 -2.335 1.00 0.61 C ATOM 1518 C VAL B 67 12.181 1.757 -2.812 1.00 0.64 C ATOM 1519 O VAL B 67 11.985 1.366 -3.966 1.00 0.73 O ATOM 1520 CB VAL B 67 13.857 3.620 -2.541 1.00 0.65 C ATOM 1521 CG1 VAL B 67 15.318 3.950 -2.270 1.00 0.70 C ATOM 1522 CG2 VAL B 67 13.459 4.077 -3.935 1.00 0.73 C ATOM 0 H VAL B 67 14.649 1.436 -4.013 1.00 0.71 H new ATOM 0 HA VAL B 67 13.673 1.903 -1.268 1.00 0.61 H new ATOM 0 HB VAL B 67 13.238 4.161 -1.825 1.00 0.65 H new ATOM 0 HG11 VAL B 67 15.484 5.017 -2.421 1.00 0.70 H new ATOM 0 HG12 VAL B 67 15.566 3.686 -1.242 1.00 0.70 H new ATOM 0 HG13 VAL B 67 15.952 3.384 -2.953 1.00 0.70 H new ATOM 0 HG21 VAL B 67 13.663 5.143 -4.041 1.00 0.73 H new ATOM 0 HG22 VAL B 67 14.033 3.523 -4.677 1.00 0.73 H new ATOM 0 HG23 VAL B 67 12.395 3.894 -4.088 1.00 0.73 H new ATOM 1532 N PHE B 68 11.211 1.877 -1.921 1.00 0.64 N ATOM 1533 CA PHE B 68 9.826 1.570 -2.252 1.00 0.73 C ATOM 1534 C PHE B 68 8.978 2.835 -2.272 1.00 0.72 C ATOM 1535 O PHE B 68 9.042 3.651 -1.351 1.00 0.65 O ATOM 1536 CB PHE B 68 9.256 0.566 -1.243 1.00 0.81 C ATOM 1537 CG PHE B 68 7.773 0.339 -1.371 1.00 0.96 C ATOM 1538 CD1 PHE B 68 7.231 -0.163 -2.543 1.00 0.98 C ATOM 1539 CD2 PHE B 68 6.923 0.633 -0.316 1.00 1.19 C ATOM 1540 CE1 PHE B 68 5.872 -0.369 -2.660 1.00 1.18 C ATOM 1541 CE2 PHE B 68 5.561 0.430 -0.428 1.00 1.37 C ATOM 1542 CZ PHE B 68 5.035 -0.071 -1.601 1.00 1.36 C ATOM 0 H PHE B 68 11.356 2.186 -0.960 1.00 0.64 H new ATOM 0 HA PHE B 68 9.801 1.128 -3.248 1.00 0.73 H new ATOM 0 HB2 PHE B 68 9.770 -0.387 -1.365 1.00 0.81 H new ATOM 0 HB3 PHE B 68 9.473 0.918 -0.234 1.00 0.81 H new ATOM 0 HD1 PHE B 68 7.880 -0.396 -3.374 1.00 0.98 H new ATOM 0 HD2 PHE B 68 7.330 1.025 0.604 1.00 1.19 H new ATOM 0 HE1 PHE B 68 5.462 -0.763 -3.578 1.00 1.18 H new ATOM 0 HE2 PHE B 68 4.909 0.663 0.401 1.00 1.37 H new ATOM 0 HZ PHE B 68 3.971 -0.230 -1.692 1.00 1.36 H new ATOM 1552 N SER B 69 8.195 2.993 -3.328 1.00 0.84 N ATOM 1553 CA SER B 69 7.319 4.146 -3.465 1.00 0.90 C ATOM 1554 C SER B 69 5.992 3.882 -2.763 1.00 0.94 C ATOM 1555 O SER B 69 5.210 3.034 -3.191 1.00 1.09 O ATOM 1556 CB SER B 69 7.073 4.445 -4.943 1.00 1.10 C ATOM 1557 OG SER B 69 8.234 4.188 -5.715 1.00 1.04 O ATOM 0 H SER B 69 8.148 2.334 -4.105 1.00 0.84 H new ATOM 0 HA SER B 69 7.800 5.008 -3.003 1.00 0.90 H new ATOM 0 HB2 SER B 69 6.247 3.835 -5.308 1.00 1.10 H new ATOM 0 HB3 SER B 69 6.776 5.487 -5.062 1.00 1.10 H new ATOM 0 HG SER B 69 8.051 4.385 -6.657 1.00 1.04 H new ATOM 1563 N ILE B 70 5.747 4.597 -1.680 1.00 0.84 N ATOM 1564 CA ILE B 70 4.514 4.430 -0.929 1.00 0.91 C ATOM 1565 C ILE B 70 3.384 5.232 -1.575 1.00 1.06 C ATOM 1566 O ILE B 70 3.151 6.392 -1.237 1.00 1.32 O ATOM 1567 CB ILE B 70 4.686 4.857 0.545 1.00 0.88 C ATOM 1568 CG1 ILE B 70 5.926 4.186 1.147 1.00 0.74 C ATOM 1569 CG2 ILE B 70 3.446 4.497 1.352 1.00 1.05 C ATOM 1570 CD1 ILE B 70 6.330 4.747 2.495 1.00 1.25 C ATOM 0 H ILE B 70 6.384 5.298 -1.301 1.00 0.84 H new ATOM 0 HA ILE B 70 4.259 3.370 -0.947 1.00 0.91 H new ATOM 0 HB ILE B 70 4.819 5.938 0.581 1.00 0.88 H new ATOM 0 HG12 ILE B 70 5.736 3.118 1.251 1.00 0.74 H new ATOM 0 HG13 ILE B 70 6.760 4.295 0.454 1.00 0.74 H new ATOM 0 HG21 ILE B 70 3.584 4.805 2.388 1.00 1.05 H new ATOM 0 HG22 ILE B 70 2.579 5.008 0.934 1.00 1.05 H new ATOM 0 HG23 ILE B 70 3.286 3.420 1.312 1.00 1.05 H new ATOM 0 HD11 ILE B 70 7.214 4.223 2.857 1.00 1.25 H new ATOM 0 HD12 ILE B 70 6.553 5.809 2.395 1.00 1.25 H new ATOM 0 HD13 ILE B 70 5.513 4.613 3.204 1.00 1.25 H new ATOM 1582 N ASP B 71 2.713 4.610 -2.537 1.00 0.97 N ATOM 1583 CA ASP B 71 1.601 5.244 -3.240 1.00 1.14 C ATOM 1584 C ASP B 71 0.313 5.096 -2.443 1.00 1.17 C ATOM 1585 O ASP B 71 -0.126 3.978 -2.162 1.00 1.23 O ATOM 1586 CB ASP B 71 1.424 4.628 -4.634 1.00 1.26 C ATOM 1587 CG ASP B 71 0.129 5.047 -5.311 1.00 1.04 C ATOM 1588 OD1 ASP B 71 -0.060 6.256 -5.545 1.00 1.48 O ATOM 1589 OD2 ASP B 71 -0.706 4.163 -5.617 1.00 1.52 O ATOM 0 H ASP B 71 2.920 3.662 -2.850 1.00 0.97 H new ATOM 0 HA ASP B 71 1.829 6.304 -3.350 1.00 1.14 H new ATOM 0 HB2 ASP B 71 2.266 4.918 -5.262 1.00 1.26 H new ATOM 0 HB3 ASP B 71 1.448 3.541 -4.550 1.00 1.26 H new ATOM 1594 N VAL B 72 -0.279 6.223 -2.071 1.00 1.48 N ATOM 1595 CA VAL B 72 -1.521 6.226 -1.309 1.00 1.59 C ATOM 1596 C VAL B 72 -2.027 7.656 -1.105 1.00 1.63 C ATOM 1597 O VAL B 72 -3.232 7.893 -0.994 1.00 1.86 O ATOM 1598 CB VAL B 72 -1.361 5.515 0.063 1.00 1.61 C ATOM 1599 CG1 VAL B 72 -0.502 6.331 1.022 1.00 1.82 C ATOM 1600 CG2 VAL B 72 -2.721 5.214 0.673 1.00 1.87 C ATOM 0 H VAL B 72 0.083 7.152 -2.286 1.00 1.48 H new ATOM 0 HA VAL B 72 -2.256 5.668 -1.889 1.00 1.59 H new ATOM 0 HB VAL B 72 -0.846 4.571 -0.112 1.00 1.61 H new ATOM 0 HG11 VAL B 72 -0.413 5.802 1.971 1.00 1.82 H new ATOM 0 HG12 VAL B 72 0.489 6.473 0.591 1.00 1.82 H new ATOM 0 HG13 VAL B 72 -0.967 7.302 1.191 1.00 1.82 H new ATOM 0 HG21 VAL B 72 -2.587 4.716 1.633 1.00 1.87 H new ATOM 0 HG22 VAL B 72 -3.268 6.145 0.820 1.00 1.87 H new ATOM 0 HG23 VAL B 72 -3.285 4.565 0.003 1.00 1.87 H new ATOM 1610 N ASN B 73 -1.104 8.610 -1.066 1.00 1.47 N ATOM 1611 CA ASN B 73 -1.458 10.010 -0.877 1.00 1.57 C ATOM 1612 C ASN B 73 -1.546 10.736 -2.219 1.00 1.59 C ATOM 1613 O ASN B 73 -0.625 11.444 -2.631 1.00 1.71 O ATOM 1614 CB ASN B 73 -0.457 10.711 0.062 1.00 1.67 C ATOM 1615 CG ASN B 73 0.991 10.597 -0.392 1.00 1.70 C ATOM 1616 OD1 ASN B 73 1.398 9.601 -0.993 1.00 1.96 O ATOM 1617 ND2 ASN B 73 1.780 11.617 -0.095 1.00 1.91 N ATOM 0 H ASN B 73 -0.103 8.438 -1.163 1.00 1.47 H new ATOM 0 HA ASN B 73 -2.441 10.047 -0.408 1.00 1.57 H new ATOM 0 HB2 ASN B 73 -0.722 11.765 0.139 1.00 1.67 H new ATOM 0 HB3 ASN B 73 -0.550 10.285 1.061 1.00 1.67 H new ATOM 0 HD21 ASN B 73 2.763 11.597 -0.365 1.00 1.91 H new ATOM 0 HD22 ASN B 73 1.405 12.424 0.404 1.00 1.91 H new ATOM 1624 N GLU B 74 -2.666 10.537 -2.901 1.00 1.59 N ATOM 1625 CA GLU B 74 -2.911 11.161 -4.198 1.00 1.64 C ATOM 1626 C GLU B 74 -2.837 12.688 -4.090 1.00 1.66 C ATOM 1627 O GLU B 74 -3.666 13.317 -3.427 1.00 1.76 O ATOM 1628 CB GLU B 74 -4.283 10.724 -4.731 1.00 1.78 C ATOM 1629 CG GLU B 74 -4.592 11.224 -6.136 1.00 2.27 C ATOM 1630 CD GLU B 74 -3.684 10.630 -7.194 1.00 2.16 C ATOM 1631 OE1 GLU B 74 -3.668 9.389 -7.350 1.00 2.14 O ATOM 1632 OE2 GLU B 74 -2.987 11.403 -7.882 1.00 2.62 O ATOM 0 H GLU B 74 -3.428 9.942 -2.575 1.00 1.59 H new ATOM 0 HA GLU B 74 -2.139 10.837 -4.895 1.00 1.64 H new ATOM 0 HB2 GLU B 74 -4.333 9.635 -4.725 1.00 1.78 H new ATOM 0 HB3 GLU B 74 -5.056 11.082 -4.051 1.00 1.78 H new ATOM 0 HG2 GLU B 74 -5.627 10.986 -6.380 1.00 2.27 H new ATOM 0 HG3 GLU B 74 -4.501 12.310 -6.156 1.00 2.27 H new ATOM 1639 N GLY B 75 -1.824 13.273 -4.722 1.00 1.63 N ATOM 1640 CA GLY B 75 -1.657 14.713 -4.693 1.00 1.68 C ATOM 1641 C GLY B 75 -0.535 15.152 -3.774 1.00 1.56 C ATOM 1642 O GLY B 75 -0.128 16.317 -3.789 1.00 1.71 O ATOM 0 H GLY B 75 -1.114 12.772 -5.256 1.00 1.63 H new ATOM 0 HA2 GLY B 75 -1.456 15.072 -5.702 1.00 1.68 H new ATOM 0 HA3 GLY B 75 -2.589 15.177 -4.369 1.00 1.68 H new ATOM 1646 N GLY B 76 -0.021 14.225 -2.984 1.00 1.59 N ATOM 1647 CA GLY B 76 1.045 14.547 -2.061 1.00 1.48 C ATOM 1648 C GLY B 76 2.390 14.016 -2.516 1.00 1.42 C ATOM 1649 O GLY B 76 2.483 13.398 -3.576 1.00 1.49 O ATOM 0 H GLY B 76 -0.324 13.251 -2.965 1.00 1.59 H new ATOM 0 HA2 GLY B 76 1.106 15.629 -1.945 1.00 1.48 H new ATOM 0 HA3 GLY B 76 0.808 14.134 -1.080 1.00 1.48 H new ATOM 1653 N PRO B 77 3.454 14.252 -1.732 1.00 1.37 N ATOM 1654 CA PRO B 77 4.804 13.785 -2.066 1.00 1.36 C ATOM 1655 C PRO B 77 4.926 12.267 -1.985 1.00 1.22 C ATOM 1656 O PRO B 77 4.412 11.639 -1.056 1.00 1.17 O ATOM 1657 CB PRO B 77 5.688 14.458 -1.008 1.00 1.41 C ATOM 1658 CG PRO B 77 4.776 14.726 0.137 1.00 1.47 C ATOM 1659 CD PRO B 77 3.426 15.002 -0.463 1.00 1.43 C ATOM 0 HA PRO B 77 5.082 14.036 -3.089 1.00 1.36 H new ATOM 0 HB2 PRO B 77 6.514 13.810 -0.713 1.00 1.41 H new ATOM 0 HB3 PRO B 77 6.127 15.380 -1.388 1.00 1.41 H new ATOM 0 HG2 PRO B 77 4.735 13.871 0.812 1.00 1.47 H new ATOM 0 HG3 PRO B 77 5.124 15.577 0.722 1.00 1.47 H new ATOM 0 HD2 PRO B 77 2.620 14.661 0.187 1.00 1.43 H new ATOM 0 HD3 PRO B 77 3.271 16.068 -0.630 1.00 1.43 H new ATOM 1667 N SER B 78 5.605 11.683 -2.961 1.00 1.24 N ATOM 1668 CA SER B 78 5.794 10.241 -3.004 1.00 1.16 C ATOM 1669 C SER B 78 6.876 9.806 -2.021 1.00 0.96 C ATOM 1670 O SER B 78 8.067 10.032 -2.251 1.00 0.91 O ATOM 1671 CB SER B 78 6.160 9.804 -4.425 1.00 1.33 C ATOM 1672 OG SER B 78 7.103 10.696 -4.999 1.00 1.66 O ATOM 0 H SER B 78 6.035 12.187 -3.736 1.00 1.24 H new ATOM 0 HA SER B 78 4.859 9.761 -2.714 1.00 1.16 H new ATOM 0 HB2 SER B 78 6.572 8.795 -4.405 1.00 1.33 H new ATOM 0 HB3 SER B 78 5.262 9.770 -5.042 1.00 1.33 H new ATOM 0 HG SER B 78 7.839 10.844 -4.369 1.00 1.66 H new ATOM 1678 N TYR B 79 6.457 9.197 -0.919 1.00 0.93 N ATOM 1679 CA TYR B 79 7.392 8.727 0.095 1.00 0.77 C ATOM 1680 C TYR B 79 8.165 7.517 -0.416 1.00 0.70 C ATOM 1681 O TYR B 79 7.569 6.533 -0.860 1.00 0.70 O ATOM 1682 CB TYR B 79 6.649 8.371 1.386 1.00 0.82 C ATOM 1683 CG TYR B 79 5.737 9.466 1.902 1.00 0.98 C ATOM 1684 CD1 TYR B 79 6.245 10.704 2.283 1.00 1.03 C ATOM 1685 CD2 TYR B 79 4.367 9.260 2.011 1.00 1.22 C ATOM 1686 CE1 TYR B 79 5.413 11.702 2.758 1.00 1.25 C ATOM 1687 CE2 TYR B 79 3.530 10.252 2.485 1.00 1.40 C ATOM 1688 CZ TYR B 79 4.057 11.470 2.856 1.00 1.40 C ATOM 1689 OH TYR B 79 3.225 12.462 3.331 1.00 1.64 O ATOM 0 H TYR B 79 5.476 9.017 -0.705 1.00 0.93 H new ATOM 0 HA TYR B 79 8.098 9.529 0.309 1.00 0.77 H new ATOM 0 HB2 TYR B 79 6.057 7.472 1.215 1.00 0.82 H new ATOM 0 HB3 TYR B 79 7.380 8.129 2.158 1.00 0.82 H new ATOM 0 HD1 TYR B 79 7.306 10.889 2.207 1.00 1.03 H new ATOM 0 HD2 TYR B 79 3.949 8.308 1.720 1.00 1.22 H new ATOM 0 HE1 TYR B 79 5.823 12.657 3.050 1.00 1.25 H new ATOM 0 HE2 TYR B 79 2.468 10.074 2.564 1.00 1.40 H new ATOM 0 HH TYR B 79 2.300 12.138 3.336 1.00 1.64 H new ATOM 1699 N LYS B 80 9.488 7.599 -0.370 1.00 0.71 N ATOM 1700 CA LYS B 80 10.342 6.514 -0.830 1.00 0.68 C ATOM 1701 C LYS B 80 11.106 5.910 0.340 1.00 0.61 C ATOM 1702 O LYS B 80 11.979 6.556 0.917 1.00 0.62 O ATOM 1703 CB LYS B 80 11.329 7.021 -1.887 1.00 0.72 C ATOM 1704 CG LYS B 80 10.673 7.795 -3.021 1.00 0.93 C ATOM 1705 CD LYS B 80 9.986 6.871 -4.014 1.00 1.14 C ATOM 1706 CE LYS B 80 10.896 6.538 -5.188 1.00 1.42 C ATOM 1707 NZ LYS B 80 10.137 5.993 -6.345 1.00 2.09 N ATOM 0 H LYS B 80 9.995 8.411 -0.017 1.00 0.71 H new ATOM 0 HA LYS B 80 9.710 5.746 -1.276 1.00 0.68 H new ATOM 0 HB2 LYS B 80 12.068 7.660 -1.403 1.00 0.72 H new ATOM 0 HB3 LYS B 80 11.868 6.171 -2.305 1.00 0.72 H new ATOM 0 HG2 LYS B 80 9.944 8.493 -2.610 1.00 0.93 H new ATOM 0 HG3 LYS B 80 11.426 8.389 -3.539 1.00 0.93 H new ATOM 0 HD2 LYS B 80 9.688 5.951 -3.511 1.00 1.14 H new ATOM 0 HD3 LYS B 80 9.075 7.343 -4.381 1.00 1.14 H new ATOM 0 HE2 LYS B 80 11.432 7.435 -5.497 1.00 1.42 H new ATOM 0 HE3 LYS B 80 11.645 5.812 -4.871 1.00 1.42 H new ATOM 0 HZ1 LYS B 80 10.800 5.732 -7.103 1.00 2.09 H new ATOM 0 HZ2 LYS B 80 9.605 5.151 -6.046 1.00 2.09 H new ATOM 0 HZ3 LYS B 80 9.475 6.714 -6.697 1.00 2.09 H new ATOM 1721 N LEU B 81 10.769 4.677 0.692 1.00 0.59 N ATOM 1722 CA LEU B 81 11.428 3.996 1.798 1.00 0.58 C ATOM 1723 C LEU B 81 12.685 3.279 1.311 1.00 0.52 C ATOM 1724 O LEU B 81 12.598 2.346 0.514 1.00 0.50 O ATOM 1725 CB LEU B 81 10.471 2.994 2.453 1.00 0.65 C ATOM 1726 CG LEU B 81 10.925 2.450 3.809 1.00 0.73 C ATOM 1727 CD1 LEU B 81 9.736 2.304 4.742 1.00 0.81 C ATOM 1728 CD2 LEU B 81 11.629 1.110 3.653 1.00 0.96 C ATOM 0 H LEU B 81 10.044 4.129 0.229 1.00 0.59 H new ATOM 0 HA LEU B 81 11.717 4.742 2.538 1.00 0.58 H new ATOM 0 HB2 LEU B 81 9.500 3.472 2.578 1.00 0.65 H new ATOM 0 HB3 LEU B 81 10.328 2.155 1.772 1.00 0.65 H new ATOM 0 HG LEU B 81 11.631 3.161 4.237 1.00 0.73 H new ATOM 0 HD11 LEU B 81 10.073 1.916 5.703 1.00 0.81 H new ATOM 0 HD12 LEU B 81 9.266 3.277 4.888 1.00 0.81 H new ATOM 0 HD13 LEU B 81 9.014 1.614 4.306 1.00 0.81 H new ATOM 0 HD21 LEU B 81 11.941 0.747 4.632 1.00 0.96 H new ATOM 0 HD22 LEU B 81 10.947 0.391 3.200 1.00 0.96 H new ATOM 0 HD23 LEU B 81 12.505 1.231 3.015 1.00 0.96 H new ATOM 1740 N PRO B 82 13.868 3.718 1.769 1.00 0.57 N ATOM 1741 CA PRO B 82 15.140 3.116 1.385 1.00 0.58 C ATOM 1742 C PRO B 82 15.499 1.907 2.249 1.00 0.59 C ATOM 1743 O PRO B 82 15.711 2.033 3.456 1.00 0.67 O ATOM 1744 CB PRO B 82 16.131 4.257 1.612 1.00 0.67 C ATOM 1745 CG PRO B 82 15.555 5.046 2.743 1.00 0.72 C ATOM 1746 CD PRO B 82 14.058 4.852 2.697 1.00 0.67 C ATOM 0 HA PRO B 82 15.128 2.731 0.365 1.00 0.58 H new ATOM 0 HB2 PRO B 82 17.122 3.876 1.860 1.00 0.67 H new ATOM 0 HB3 PRO B 82 16.240 4.870 0.717 1.00 0.67 H new ATOM 0 HG2 PRO B 82 15.959 4.706 3.696 1.00 0.72 H new ATOM 0 HG3 PRO B 82 15.811 6.101 2.647 1.00 0.72 H new ATOM 0 HD2 PRO B 82 13.655 4.630 3.685 1.00 0.67 H new ATOM 0 HD3 PRO B 82 13.551 5.748 2.340 1.00 0.67 H new ATOM 1754 N TYR B 83 15.563 0.736 1.632 1.00 0.60 N ATOM 1755 CA TYR B 83 15.893 -0.483 2.355 1.00 0.63 C ATOM 1756 C TYR B 83 17.311 -0.942 2.030 1.00 0.67 C ATOM 1757 O TYR B 83 17.713 -0.963 0.867 1.00 0.66 O ATOM 1758 CB TYR B 83 14.885 -1.591 2.020 1.00 0.63 C ATOM 1759 CG TYR B 83 15.325 -2.985 2.434 1.00 0.69 C ATOM 1760 CD1 TYR B 83 15.474 -3.322 3.775 1.00 0.72 C ATOM 1761 CD2 TYR B 83 15.585 -3.964 1.480 1.00 0.73 C ATOM 1762 CE1 TYR B 83 15.871 -4.594 4.153 1.00 0.79 C ATOM 1763 CE2 TYR B 83 15.980 -5.236 1.850 1.00 0.80 C ATOM 1764 CZ TYR B 83 16.121 -5.548 3.186 1.00 0.83 C ATOM 1765 OH TYR B 83 16.515 -6.818 3.555 1.00 0.91 O ATOM 0 H TYR B 83 15.391 0.604 0.635 1.00 0.60 H new ATOM 0 HA TYR B 83 15.840 -0.270 3.423 1.00 0.63 H new ATOM 0 HB2 TYR B 83 13.937 -1.363 2.507 1.00 0.63 H new ATOM 0 HB3 TYR B 83 14.701 -1.585 0.946 1.00 0.63 H new ATOM 0 HD1 TYR B 83 15.277 -2.580 4.534 1.00 0.72 H new ATOM 0 HD2 TYR B 83 15.476 -3.726 0.432 1.00 0.73 H new ATOM 0 HE1 TYR B 83 15.985 -4.839 5.199 1.00 0.79 H new ATOM 0 HE2 TYR B 83 16.178 -5.983 1.095 1.00 0.80 H new ATOM 0 HH TYR B 83 16.648 -7.365 2.753 1.00 0.91 H new ATOM 1775 N ASN B 84 18.063 -1.283 3.068 1.00 0.77 N ATOM 1776 CA ASN B 84 19.427 -1.768 2.909 1.00 0.84 C ATOM 1777 C ASN B 84 19.409 -3.288 2.959 1.00 0.81 C ATOM 1778 O ASN B 84 18.842 -3.875 3.877 1.00 0.80 O ATOM 1779 CB ASN B 84 20.334 -1.203 4.009 1.00 0.93 C ATOM 1780 CG ASN B 84 21.740 -1.794 4.002 1.00 1.33 C ATOM 1781 OD1 ASN B 84 22.310 -2.067 5.058 1.00 2.02 O ATOM 1782 ND2 ASN B 84 22.321 -1.992 2.822 1.00 1.93 N ATOM 0 H ASN B 84 17.748 -1.232 4.037 1.00 0.77 H new ATOM 0 HA ASN B 84 19.825 -1.436 1.950 1.00 0.84 H new ATOM 0 HB2 ASN B 84 20.403 -0.121 3.892 1.00 0.93 H new ATOM 0 HB3 ASN B 84 19.875 -1.390 4.980 1.00 0.93 H new ATOM 0 HD21 ASN B 84 23.263 -2.380 2.776 1.00 1.93 H new ATOM 0 HD22 ASN B 84 21.824 -1.756 1.963 1.00 1.93 H new ATOM 1789 N THR B 85 20.037 -3.914 1.975 1.00 0.83 N ATOM 1790 CA THR B 85 20.083 -5.372 1.861 1.00 0.83 C ATOM 1791 C THR B 85 20.609 -6.069 3.125 1.00 0.83 C ATOM 1792 O THR B 85 20.351 -7.254 3.336 1.00 0.96 O ATOM 1793 CB THR B 85 20.955 -5.774 0.656 1.00 0.94 C ATOM 1794 OG1 THR B 85 20.753 -4.842 -0.416 1.00 1.11 O ATOM 1795 CG2 THR B 85 20.613 -7.178 0.175 1.00 1.17 C ATOM 0 H THR B 85 20.532 -3.427 1.228 1.00 0.83 H new ATOM 0 HA THR B 85 19.054 -5.703 1.722 1.00 0.83 H new ATOM 0 HB THR B 85 21.998 -5.761 0.971 1.00 0.94 H new ATOM 0 HG1 THR B 85 21.309 -5.098 -1.181 1.00 1.11 H new ATOM 0 HG21 THR B 85 21.244 -7.435 -0.676 1.00 1.17 H new ATOM 0 HG22 THR B 85 20.784 -7.891 0.982 1.00 1.17 H new ATOM 0 HG23 THR B 85 19.566 -7.215 -0.125 1.00 1.17 H new ATOM 1803 N SER B 86 21.317 -5.345 3.976 1.00 0.84 N ATOM 1804 CA SER B 86 21.868 -5.940 5.183 1.00 0.88 C ATOM 1805 C SER B 86 21.159 -5.462 6.455 1.00 0.91 C ATOM 1806 O SER B 86 21.718 -5.558 7.548 1.00 1.14 O ATOM 1807 CB SER B 86 23.362 -5.631 5.262 1.00 0.93 C ATOM 1808 OG SER B 86 23.661 -4.383 4.651 1.00 1.23 O ATOM 0 H SER B 86 21.523 -4.353 3.856 1.00 0.84 H new ATOM 0 HA SER B 86 21.709 -7.017 5.123 1.00 0.88 H new ATOM 0 HB2 SER B 86 23.678 -5.613 6.305 1.00 0.93 H new ATOM 0 HB3 SER B 86 23.927 -6.424 4.771 1.00 0.93 H new ATOM 0 HG SER B 86 23.111 -3.680 5.056 1.00 1.23 H new ATOM 1814 N ASP B 87 19.930 -4.975 6.327 1.00 0.85 N ATOM 1815 CA ASP B 87 19.189 -4.491 7.492 1.00 0.88 C ATOM 1816 C ASP B 87 17.916 -5.311 7.715 1.00 0.90 C ATOM 1817 O ASP B 87 17.486 -6.056 6.833 1.00 0.94 O ATOM 1818 CB ASP B 87 18.844 -3.003 7.335 1.00 0.89 C ATOM 1819 CG ASP B 87 18.333 -2.376 8.624 1.00 0.82 C ATOM 1820 OD1 ASP B 87 18.683 -2.877 9.716 1.00 1.13 O ATOM 1821 OD2 ASP B 87 17.589 -1.376 8.549 1.00 1.09 O ATOM 0 H ASP B 87 19.428 -4.904 5.442 1.00 0.85 H new ATOM 0 HA ASP B 87 19.828 -4.610 8.367 1.00 0.88 H new ATOM 0 HB2 ASP B 87 19.730 -2.463 7.000 1.00 0.89 H new ATOM 0 HB3 ASP B 87 18.089 -2.890 6.557 1.00 0.89 H new ATOM 1826 N ASP B 88 17.333 -5.168 8.901 1.00 0.94 N ATOM 1827 CA ASP B 88 16.112 -5.883 9.267 1.00 0.97 C ATOM 1828 C ASP B 88 14.885 -5.095 8.833 1.00 0.93 C ATOM 1829 O ASP B 88 14.810 -3.892 9.064 1.00 0.91 O ATOM 1830 CB ASP B 88 16.054 -6.116 10.779 1.00 1.06 C ATOM 1831 CG ASP B 88 16.581 -7.475 11.184 1.00 1.42 C ATOM 1832 OD1 ASP B 88 17.816 -7.628 11.298 1.00 1.90 O ATOM 1833 OD2 ASP B 88 15.764 -8.394 11.400 1.00 1.60 O ATOM 0 H ASP B 88 17.691 -4.556 9.634 1.00 0.94 H new ATOM 0 HA ASP B 88 16.122 -6.847 8.758 1.00 0.97 H new ATOM 0 HB2 ASP B 88 16.632 -5.342 11.284 1.00 1.06 H new ATOM 0 HB3 ASP B 88 15.023 -6.015 11.118 1.00 1.06 H new ATOM 1838 N PRO B 89 13.893 -5.774 8.228 1.00 0.94 N ATOM 1839 CA PRO B 89 12.661 -5.137 7.740 1.00 0.93 C ATOM 1840 C PRO B 89 11.987 -4.240 8.774 1.00 0.88 C ATOM 1841 O PRO B 89 11.585 -3.120 8.463 1.00 0.82 O ATOM 1842 CB PRO B 89 11.742 -6.320 7.387 1.00 0.99 C ATOM 1843 CG PRO B 89 12.426 -7.541 7.910 1.00 1.06 C ATOM 1844 CD PRO B 89 13.890 -7.216 7.960 1.00 0.99 C ATOM 0 HA PRO B 89 12.877 -4.476 6.900 1.00 0.93 H new ATOM 0 HB2 PRO B 89 10.758 -6.199 7.841 1.00 0.99 H new ATOM 0 HB3 PRO B 89 11.590 -6.389 6.310 1.00 0.99 H new ATOM 0 HG2 PRO B 89 12.052 -7.802 8.900 1.00 1.06 H new ATOM 0 HG3 PRO B 89 12.240 -8.398 7.263 1.00 1.06 H new ATOM 0 HD2 PRO B 89 14.402 -7.774 8.744 1.00 0.99 H new ATOM 0 HD3 PRO B 89 14.390 -7.454 7.021 1.00 0.99 H new ATOM 1852 N TRP B 90 11.880 -4.727 10.002 1.00 0.93 N ATOM 1853 CA TRP B 90 11.244 -3.973 11.079 1.00 0.92 C ATOM 1854 C TRP B 90 12.027 -2.702 11.395 1.00 0.91 C ATOM 1855 O TRP B 90 11.443 -1.648 11.649 1.00 0.92 O ATOM 1856 CB TRP B 90 11.135 -4.829 12.346 1.00 1.02 C ATOM 1857 CG TRP B 90 11.113 -6.306 12.084 1.00 1.06 C ATOM 1858 CD1 TRP B 90 12.180 -7.157 12.109 1.00 1.19 C ATOM 1859 CD2 TRP B 90 9.969 -7.104 11.767 1.00 1.27 C ATOM 1860 NE1 TRP B 90 11.772 -8.435 11.820 1.00 1.42 N ATOM 1861 CE2 TRP B 90 10.418 -8.430 11.607 1.00 1.46 C ATOM 1862 CE3 TRP B 90 8.609 -6.827 11.596 1.00 1.50 C ATOM 1863 CZ2 TRP B 90 9.553 -9.475 11.289 1.00 1.81 C ATOM 1864 CZ3 TRP B 90 7.753 -7.868 11.285 1.00 1.84 C ATOM 1865 CH2 TRP B 90 8.228 -9.175 11.131 1.00 1.97 C ATOM 0 H TRP B 90 12.226 -5.645 10.281 1.00 0.93 H new ATOM 0 HA TRP B 90 10.245 -3.698 10.742 1.00 0.92 H new ATOM 0 HB2 TRP B 90 11.975 -4.599 13.001 1.00 1.02 H new ATOM 0 HB3 TRP B 90 10.228 -4.552 12.882 1.00 1.02 H new ATOM 0 HD1 TRP B 90 13.198 -6.867 12.325 1.00 1.19 H new ATOM 0 HE1 TRP B 90 12.377 -9.255 11.772 1.00 1.42 H new ATOM 0 HE3 TRP B 90 8.234 -5.820 11.705 1.00 1.50 H new ATOM 0 HZ2 TRP B 90 9.916 -10.485 11.172 1.00 1.81 H new ATOM 0 HZ3 TRP B 90 6.699 -7.668 11.159 1.00 1.84 H new ATOM 0 HH2 TRP B 90 7.534 -9.964 10.882 1.00 1.97 H new ATOM 1876 N LEU B 91 13.348 -2.806 11.348 1.00 0.95 N ATOM 1877 CA LEU B 91 14.213 -1.676 11.654 1.00 0.97 C ATOM 1878 C LEU B 91 14.162 -0.623 10.555 1.00 0.88 C ATOM 1879 O LEU B 91 13.938 0.557 10.831 1.00 0.88 O ATOM 1880 CB LEU B 91 15.655 -2.145 11.866 1.00 1.07 C ATOM 1881 CG LEU B 91 15.872 -3.080 13.058 1.00 1.11 C ATOM 1882 CD1 LEU B 91 17.346 -3.414 13.213 1.00 1.24 C ATOM 1883 CD2 LEU B 91 15.328 -2.459 14.340 1.00 1.17 C ATOM 0 H LEU B 91 13.844 -3.662 11.101 1.00 0.95 H new ATOM 0 HA LEU B 91 13.848 -1.222 12.575 1.00 0.97 H new ATOM 0 HB2 LEU B 91 15.991 -2.653 10.962 1.00 1.07 H new ATOM 0 HB3 LEU B 91 16.290 -1.268 11.993 1.00 1.07 H new ATOM 0 HG LEU B 91 15.326 -4.004 12.868 1.00 1.11 H new ATOM 0 HD11 LEU B 91 17.481 -4.080 14.066 1.00 1.24 H new ATOM 0 HD12 LEU B 91 17.705 -3.906 12.309 1.00 1.24 H new ATOM 0 HD13 LEU B 91 17.912 -2.497 13.376 1.00 1.24 H new ATOM 0 HD21 LEU B 91 15.493 -3.142 15.174 1.00 1.17 H new ATOM 0 HD22 LEU B 91 15.841 -1.517 14.535 1.00 1.17 H new ATOM 0 HD23 LEU B 91 14.260 -2.273 14.230 1.00 1.17 H new ATOM 1895 N THR B 92 14.348 -1.048 9.312 1.00 0.81 N ATOM 1896 CA THR B 92 14.327 -0.129 8.181 1.00 0.74 C ATOM 1897 C THR B 92 12.962 0.541 8.041 1.00 0.69 C ATOM 1898 O THR B 92 12.870 1.721 7.696 1.00 0.68 O ATOM 1899 CB THR B 92 14.682 -0.852 6.871 1.00 0.73 C ATOM 1900 OG1 THR B 92 15.441 -2.030 7.157 1.00 0.79 O ATOM 1901 CG2 THR B 92 15.487 0.055 5.959 1.00 0.84 C ATOM 0 H THR B 92 14.515 -2.023 9.061 1.00 0.81 H new ATOM 0 HA THR B 92 15.078 0.637 8.375 1.00 0.74 H new ATOM 0 HB THR B 92 13.755 -1.125 6.367 1.00 0.73 H new ATOM 0 HG1 THR B 92 16.095 -1.835 7.860 1.00 0.79 H new ATOM 0 HG21 THR B 92 15.728 -0.476 5.038 1.00 0.84 H new ATOM 0 HG22 THR B 92 14.903 0.945 5.723 1.00 0.84 H new ATOM 0 HG23 THR B 92 16.409 0.349 6.460 1.00 0.84 H new ATOM 1909 N ALA B 93 11.907 -0.214 8.320 1.00 0.72 N ATOM 1910 CA ALA B 93 10.553 0.312 8.236 1.00 0.74 C ATOM 1911 C ALA B 93 10.347 1.408 9.271 1.00 0.78 C ATOM 1912 O ALA B 93 9.863 2.494 8.953 1.00 0.78 O ATOM 1913 CB ALA B 93 9.536 -0.800 8.426 1.00 0.82 C ATOM 0 H ALA B 93 11.964 -1.191 8.606 1.00 0.72 H new ATOM 0 HA ALA B 93 10.409 0.741 7.244 1.00 0.74 H new ATOM 0 HB1 ALA B 93 8.529 -0.387 8.360 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.671 -1.553 7.650 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.677 -1.258 9.405 1.00 0.82 H new ATOM 1919 N TYR B 94 10.742 1.123 10.507 1.00 0.82 N ATOM 1920 CA TYR B 94 10.605 2.084 11.595 1.00 0.90 C ATOM 1921 C TYR B 94 11.494 3.300 11.354 1.00 0.88 C ATOM 1922 O TYR B 94 11.133 4.424 11.703 1.00 0.90 O ATOM 1923 CB TYR B 94 10.960 1.431 12.936 1.00 0.98 C ATOM 1924 CG TYR B 94 10.720 2.335 14.124 1.00 1.23 C ATOM 1925 CD1 TYR B 94 9.433 2.572 14.592 1.00 1.31 C ATOM 1926 CD2 TYR B 94 11.779 2.961 14.771 1.00 1.54 C ATOM 1927 CE1 TYR B 94 9.210 3.404 15.672 1.00 1.60 C ATOM 1928 CE2 TYR B 94 11.564 3.794 15.849 1.00 1.80 C ATOM 1929 CZ TYR B 94 10.278 4.015 16.295 1.00 1.79 C ATOM 1930 OH TYR B 94 10.059 4.847 17.371 1.00 2.10 O ATOM 0 H TYR B 94 11.160 0.234 10.780 1.00 0.82 H new ATOM 0 HA TYR B 94 9.566 2.413 11.629 1.00 0.90 H new ATOM 0 HB2 TYR B 94 10.372 0.521 13.056 1.00 0.98 H new ATOM 0 HB3 TYR B 94 12.008 1.133 12.921 1.00 0.98 H new ATOM 0 HD1 TYR B 94 8.594 2.098 14.104 1.00 1.31 H new ATOM 0 HD2 TYR B 94 12.788 2.792 14.424 1.00 1.54 H new ATOM 0 HE1 TYR B 94 8.204 3.575 16.027 1.00 1.60 H new ATOM 0 HE2 TYR B 94 12.399 4.271 16.341 1.00 1.80 H new ATOM 0 HH TYR B 94 10.916 5.196 17.695 1.00 2.10 H new ATOM 1940 N ASN B 95 12.652 3.063 10.743 1.00 0.85 N ATOM 1941 CA ASN B 95 13.604 4.126 10.439 1.00 0.85 C ATOM 1942 C ASN B 95 12.956 5.213 9.594 1.00 0.81 C ATOM 1943 O ASN B 95 13.069 6.402 9.902 1.00 0.83 O ATOM 1944 CB ASN B 95 14.823 3.559 9.713 1.00 0.86 C ATOM 1945 CG ASN B 95 16.124 3.911 10.404 1.00 1.08 C ATOM 1946 OD1 ASN B 95 16.246 4.971 11.016 1.00 1.53 O ATOM 1947 ND2 ASN B 95 17.099 3.022 10.317 1.00 1.29 N ATOM 0 H ASN B 95 12.955 2.135 10.447 1.00 0.85 H new ATOM 0 HA ASN B 95 13.926 4.568 11.382 1.00 0.85 H new ATOM 0 HB2 ASN B 95 14.731 2.475 9.648 1.00 0.86 H new ATOM 0 HB3 ASN B 95 14.843 3.939 8.692 1.00 0.86 H new ATOM 0 HD21 ASN B 95 17.996 3.203 10.768 1.00 1.29 H new ATOM 0 HD22 ASN B 95 16.954 2.155 9.799 1.00 1.29 H new ATOM 1954 N PHE B 96 12.268 4.807 8.535 1.00 0.78 N ATOM 1955 CA PHE B 96 11.597 5.758 7.662 1.00 0.76 C ATOM 1956 C PHE B 96 10.291 6.230 8.297 1.00 0.79 C ATOM 1957 O PHE B 96 9.874 7.378 8.106 1.00 0.79 O ATOM 1958 CB PHE B 96 11.324 5.137 6.293 1.00 0.75 C ATOM 1959 CG PHE B 96 10.808 6.121 5.278 1.00 0.75 C ATOM 1960 CD1 PHE B 96 11.666 7.027 4.677 1.00 0.74 C ATOM 1961 CD2 PHE B 96 9.467 6.140 4.929 1.00 0.79 C ATOM 1962 CE1 PHE B 96 11.198 7.934 3.745 1.00 0.75 C ATOM 1963 CE2 PHE B 96 8.993 7.044 4.000 1.00 0.79 C ATOM 1964 CZ PHE B 96 9.859 7.943 3.408 1.00 0.77 C ATOM 0 H PHE B 96 12.161 3.830 8.262 1.00 0.78 H new ATOM 0 HA PHE B 96 12.253 6.618 7.525 1.00 0.76 H new ATOM 0 HB2 PHE B 96 12.243 4.688 5.917 1.00 0.75 H new ATOM 0 HB3 PHE B 96 10.599 4.331 6.407 1.00 0.75 H new ATOM 0 HD1 PHE B 96 12.714 7.025 4.940 1.00 0.74 H new ATOM 0 HD2 PHE B 96 8.785 5.440 5.389 1.00 0.79 H new ATOM 0 HE1 PHE B 96 11.878 8.634 3.282 1.00 0.75 H new ATOM 0 HE2 PHE B 96 7.946 7.049 3.736 1.00 0.79 H new ATOM 0 HZ PHE B 96 9.489 8.652 2.682 1.00 0.77 H new ATOM 1974 N LEU B 97 9.661 5.345 9.064 1.00 0.82 N ATOM 1975 CA LEU B 97 8.407 5.659 9.741 1.00 0.87 C ATOM 1976 C LEU B 97 8.574 6.869 10.656 1.00 0.88 C ATOM 1977 O LEU B 97 7.735 7.767 10.673 1.00 0.91 O ATOM 1978 CB LEU B 97 7.931 4.457 10.561 1.00 0.93 C ATOM 1979 CG LEU B 97 6.467 4.502 11.000 1.00 1.18 C ATOM 1980 CD1 LEU B 97 5.591 3.776 9.991 1.00 1.34 C ATOM 1981 CD2 LEU B 97 6.306 3.894 12.384 1.00 1.44 C ATOM 0 H LEU B 97 10.001 4.398 9.233 1.00 0.82 H new ATOM 0 HA LEU B 97 7.662 5.894 8.981 1.00 0.87 H new ATOM 0 HB2 LEU B 97 8.089 3.552 9.974 1.00 0.93 H new ATOM 0 HB3 LEU B 97 8.557 4.374 11.449 1.00 0.93 H new ATOM 0 HG LEU B 97 6.150 5.544 11.046 1.00 1.18 H new ATOM 0 HD11 LEU B 97 4.551 3.816 10.316 1.00 1.34 H new ATOM 0 HD12 LEU B 97 5.685 4.255 9.016 1.00 1.34 H new ATOM 0 HD13 LEU B 97 5.908 2.736 9.916 1.00 1.34 H new ATOM 0 HD21 LEU B 97 5.258 3.935 12.680 1.00 1.44 H new ATOM 0 HD22 LEU B 97 6.638 2.856 12.366 1.00 1.44 H new ATOM 0 HD23 LEU B 97 6.907 4.455 13.100 1.00 1.44 H new ATOM 1993 N GLN B 98 9.672 6.893 11.404 1.00 0.88 N ATOM 1994 CA GLN B 98 9.948 7.993 12.319 1.00 0.90 C ATOM 1995 C GLN B 98 10.654 9.139 11.596 1.00 0.89 C ATOM 1996 O GLN B 98 10.803 10.232 12.143 1.00 0.99 O ATOM 1997 CB GLN B 98 10.799 7.512 13.496 1.00 0.93 C ATOM 1998 CG GLN B 98 12.210 7.099 13.108 1.00 1.00 C ATOM 1999 CD GLN B 98 13.080 6.818 14.314 1.00 1.16 C ATOM 2000 OE1 GLN B 98 12.870 7.385 15.386 1.00 1.39 O ATOM 2001 NE2 GLN B 98 14.067 5.954 14.146 1.00 1.27 N ATOM 0 H GLN B 98 10.385 6.163 11.394 1.00 0.88 H new ATOM 0 HA GLN B 98 8.995 8.360 12.700 1.00 0.90 H new ATOM 0 HB2 GLN B 98 10.855 8.307 14.240 1.00 0.93 H new ATOM 0 HB3 GLN B 98 10.301 6.666 13.970 1.00 0.93 H new ATOM 0 HG2 GLN B 98 12.166 6.209 12.480 1.00 1.00 H new ATOM 0 HG3 GLN B 98 12.666 7.889 12.510 1.00 1.00 H new ATOM 0 HE21 GLN B 98 14.205 5.507 13.240 1.00 1.27 H new ATOM 0 HE22 GLN B 98 14.691 5.735 14.923 1.00 1.27 H new ATOM 2010 N LYS B 99 11.081 8.881 10.368 1.00 0.82 N ATOM 2011 CA LYS B 99 11.781 9.881 9.573 1.00 0.81 C ATOM 2012 C LYS B 99 10.807 10.905 8.999 1.00 0.84 C ATOM 2013 O LYS B 99 11.046 12.112 9.064 1.00 0.90 O ATOM 2014 CB LYS B 99 12.554 9.209 8.434 1.00 0.75 C ATOM 2015 CG LYS B 99 13.368 10.171 7.588 1.00 0.87 C ATOM 2016 CD LYS B 99 13.938 9.487 6.357 1.00 1.04 C ATOM 2017 CE LYS B 99 14.604 10.480 5.418 1.00 1.21 C ATOM 2018 NZ LYS B 99 13.629 11.447 4.847 1.00 1.69 N ATOM 0 H LYS B 99 10.954 7.984 9.899 1.00 0.82 H new ATOM 0 HA LYS B 99 12.482 10.399 10.228 1.00 0.81 H new ATOM 0 HB2 LYS B 99 13.222 8.458 8.856 1.00 0.75 H new ATOM 0 HB3 LYS B 99 11.849 8.683 7.791 1.00 0.75 H new ATOM 0 HG2 LYS B 99 12.741 11.008 7.282 1.00 0.87 H new ATOM 0 HG3 LYS B 99 14.181 10.584 8.185 1.00 0.87 H new ATOM 0 HD2 LYS B 99 14.663 8.733 6.663 1.00 1.04 H new ATOM 0 HD3 LYS B 99 13.140 8.966 5.828 1.00 1.04 H new ATOM 0 HE2 LYS B 99 15.381 11.023 5.956 1.00 1.21 H new ATOM 0 HE3 LYS B 99 15.095 9.940 4.609 1.00 1.21 H new ATOM 0 HZ1 LYS B 99 13.625 11.364 3.810 1.00 1.69 H new ATOM 0 HZ2 LYS B 99 12.679 11.240 5.215 1.00 1.69 H new ATOM 0 HZ3 LYS B 99 13.901 12.414 5.116 1.00 1.69 H new ATOM 2032 N ASN B 100 9.710 10.421 8.437 1.00 0.85 N ATOM 2033 CA ASN B 100 8.716 11.306 7.843 1.00 0.94 C ATOM 2034 C ASN B 100 7.431 11.323 8.660 1.00 0.99 C ATOM 2035 O ASN B 100 6.444 11.941 8.262 1.00 1.09 O ATOM 2036 CB ASN B 100 8.429 10.886 6.398 1.00 0.97 C ATOM 2037 CG ASN B 100 9.511 11.354 5.443 1.00 1.10 C ATOM 2038 OD1 ASN B 100 10.580 10.745 5.346 1.00 1.14 O ATOM 2039 ND2 ASN B 100 9.243 12.434 4.726 1.00 1.50 N ATOM 0 H ASN B 100 9.485 9.428 8.379 1.00 0.85 H new ATOM 0 HA ASN B 100 9.122 12.318 7.842 1.00 0.94 H new ATOM 0 HB2 ASN B 100 8.345 9.800 6.346 1.00 0.97 H new ATOM 0 HB3 ASN B 100 7.468 11.295 6.086 1.00 0.97 H new ATOM 0 HD21 ASN B 100 9.932 12.791 4.064 1.00 1.50 H new ATOM 0 HD22 ASN B 100 8.347 12.909 4.835 1.00 1.50 H new ATOM 2046 N ASP B 101 7.466 10.636 9.803 1.00 0.96 N ATOM 2047 CA ASP B 101 6.332 10.554 10.732 1.00 1.05 C ATOM 2048 C ASP B 101 5.101 9.929 10.076 1.00 1.06 C ATOM 2049 O ASP B 101 4.194 10.631 9.624 1.00 1.14 O ATOM 2050 CB ASP B 101 5.985 11.937 11.290 1.00 1.15 C ATOM 2051 CG ASP B 101 5.261 11.868 12.622 1.00 1.24 C ATOM 2052 OD1 ASP B 101 4.096 11.415 12.654 1.00 1.97 O ATOM 2053 OD2 ASP B 101 5.849 12.286 13.643 1.00 1.37 O ATOM 0 H ASP B 101 8.287 10.116 10.114 1.00 0.96 H new ATOM 0 HA ASP B 101 6.638 9.906 11.553 1.00 1.05 H new ATOM 0 HB2 ASP B 101 6.901 12.516 11.409 1.00 1.15 H new ATOM 0 HB3 ASP B 101 5.363 12.469 10.570 1.00 1.15 H new ATOM 2058 N LEU B 102 5.080 8.606 10.024 1.00 1.03 N ATOM 2059 CA LEU B 102 3.958 7.881 9.437 1.00 1.06 C ATOM 2060 C LEU B 102 3.208 7.111 10.517 1.00 1.13 C ATOM 2061 O LEU B 102 3.706 6.956 11.632 1.00 1.21 O ATOM 2062 CB LEU B 102 4.437 6.905 8.351 1.00 0.99 C ATOM 2063 CG LEU B 102 4.751 7.516 6.978 1.00 1.12 C ATOM 2064 CD1 LEU B 102 3.694 8.537 6.577 1.00 1.66 C ATOM 2065 CD2 LEU B 102 6.137 8.141 6.969 1.00 1.51 C ATOM 0 H LEU B 102 5.827 8.010 10.381 1.00 1.03 H new ATOM 0 HA LEU B 102 3.291 8.611 8.978 1.00 1.06 H new ATOM 0 HB2 LEU B 102 5.333 6.402 8.714 1.00 0.99 H new ATOM 0 HB3 LEU B 102 3.673 6.139 8.218 1.00 0.99 H new ATOM 0 HG LEU B 102 4.735 6.712 6.242 1.00 1.12 H new ATOM 0 HD11 LEU B 102 3.942 8.953 5.601 1.00 1.66 H new ATOM 0 HD12 LEU B 102 2.719 8.051 6.527 1.00 1.66 H new ATOM 0 HD13 LEU B 102 3.663 9.338 7.316 1.00 1.66 H new ATOM 0 HD21 LEU B 102 6.337 8.567 5.986 1.00 1.51 H new ATOM 0 HD22 LEU B 102 6.187 8.927 7.723 1.00 1.51 H new ATOM 0 HD23 LEU B 102 6.882 7.377 7.192 1.00 1.51 H new ATOM 2077 N ASN B 103 2.012 6.641 10.188 1.00 1.17 N ATOM 2078 CA ASN B 103 1.209 5.877 11.135 1.00 1.23 C ATOM 2079 C ASN B 103 1.795 4.477 11.294 1.00 1.14 C ATOM 2080 O ASN B 103 2.226 3.874 10.314 1.00 1.05 O ATOM 2081 CB ASN B 103 -0.248 5.797 10.658 1.00 1.31 C ATOM 2082 CG ASN B 103 -1.129 4.992 11.597 1.00 1.41 C ATOM 2083 OD1 ASN B 103 -1.204 3.769 11.503 1.00 1.27 O ATOM 2084 ND2 ASN B 103 -1.813 5.674 12.502 1.00 1.75 N ATOM 0 H ASN B 103 1.577 6.775 9.275 1.00 1.17 H new ATOM 0 HA ASN B 103 1.225 6.380 12.102 1.00 1.23 H new ATOM 0 HB2 ASN B 103 -0.651 6.805 10.564 1.00 1.31 H new ATOM 0 HB3 ASN B 103 -0.277 5.348 9.665 1.00 1.31 H new ATOM 0 HD21 ASN B 103 -2.428 5.184 13.152 1.00 1.75 H new ATOM 0 HD22 ASN B 103 -1.725 6.689 12.550 1.00 1.75 H new ATOM 2091 N PRO B 104 1.832 3.949 12.533 1.00 1.18 N ATOM 2092 CA PRO B 104 2.372 2.612 12.830 1.00 1.12 C ATOM 2093 C PRO B 104 1.876 1.507 11.885 1.00 1.04 C ATOM 2094 O PRO B 104 2.601 0.551 11.622 1.00 1.02 O ATOM 2095 CB PRO B 104 1.878 2.352 14.250 1.00 1.22 C ATOM 2096 CG PRO B 104 1.794 3.703 14.865 1.00 1.34 C ATOM 2097 CD PRO B 104 1.373 4.634 13.761 1.00 1.30 C ATOM 0 HA PRO B 104 3.455 2.592 12.708 1.00 1.12 H new ATOM 0 HB2 PRO B 104 0.908 1.855 14.249 1.00 1.22 H new ATOM 0 HB3 PRO B 104 2.565 1.708 14.798 1.00 1.22 H new ATOM 0 HG2 PRO B 104 1.073 3.716 15.683 1.00 1.34 H new ATOM 0 HG3 PRO B 104 2.755 4.002 15.283 1.00 1.34 H new ATOM 0 HD2 PRO B 104 0.294 4.787 13.755 1.00 1.30 H new ATOM 0 HD3 PRO B 104 1.833 5.616 13.868 1.00 1.30 H new ATOM 2105 N MET B 105 0.655 1.642 11.367 1.00 1.03 N ATOM 2106 CA MET B 105 0.089 0.639 10.462 1.00 1.01 C ATOM 2107 C MET B 105 0.883 0.561 9.156 1.00 1.00 C ATOM 2108 O MET B 105 0.900 -0.475 8.490 1.00 1.03 O ATOM 2109 CB MET B 105 -1.377 0.955 10.156 1.00 1.05 C ATOM 2110 CG MET B 105 -2.141 -0.225 9.578 1.00 1.03 C ATOM 2111 SD MET B 105 -3.539 0.276 8.546 1.00 1.43 S ATOM 2112 CE MET B 105 -4.493 1.260 9.704 1.00 1.60 C ATOM 0 H MET B 105 0.040 2.433 11.557 1.00 1.03 H new ATOM 0 HA MET B 105 0.149 -0.327 10.963 1.00 1.01 H new ATOM 0 HB2 MET B 105 -1.869 1.283 11.072 1.00 1.05 H new ATOM 0 HB3 MET B 105 -1.423 1.787 9.453 1.00 1.05 H new ATOM 0 HG2 MET B 105 -1.460 -0.837 8.986 1.00 1.03 H new ATOM 0 HG3 MET B 105 -2.504 -0.850 10.394 1.00 1.03 H new ATOM 0 HE1 MET B 105 -5.453 1.519 9.257 1.00 1.60 H new ATOM 0 HE2 MET B 105 -4.660 0.687 10.616 1.00 1.60 H new ATOM 0 HE3 MET B 105 -3.946 2.172 9.943 1.00 1.60 H new ATOM 2122 N PHE B 106 1.553 1.653 8.807 1.00 1.00 N ATOM 2123 CA PHE B 106 2.345 1.710 7.582 1.00 1.03 C ATOM 2124 C PHE B 106 3.561 0.796 7.674 1.00 0.99 C ATOM 2125 O PHE B 106 4.061 0.317 6.656 1.00 0.98 O ATOM 2126 CB PHE B 106 2.805 3.140 7.305 1.00 1.06 C ATOM 2127 CG PHE B 106 1.854 3.920 6.438 1.00 1.38 C ATOM 2128 CD1 PHE B 106 0.694 4.465 6.966 1.00 1.72 C ATOM 2129 CD2 PHE B 106 2.124 4.107 5.092 1.00 1.92 C ATOM 2130 CE1 PHE B 106 -0.180 5.182 6.167 1.00 2.20 C ATOM 2131 CE2 PHE B 106 1.255 4.822 4.289 1.00 2.44 C ATOM 2132 CZ PHE B 106 0.104 5.359 4.827 1.00 2.46 C ATOM 0 H PHE B 106 1.564 2.513 9.355 1.00 1.00 H new ATOM 0 HA PHE B 106 1.710 1.371 6.763 1.00 1.03 H new ATOM 0 HB2 PHE B 106 2.931 3.663 8.253 1.00 1.06 H new ATOM 0 HB3 PHE B 106 3.783 3.112 6.824 1.00 1.06 H new ATOM 0 HD1 PHE B 106 0.469 4.329 8.014 1.00 1.72 H new ATOM 0 HD2 PHE B 106 3.024 3.689 4.665 1.00 1.92 H new ATOM 0 HE1 PHE B 106 -1.081 5.602 6.590 1.00 2.20 H new ATOM 0 HE2 PHE B 106 1.477 4.960 3.241 1.00 2.44 H new ATOM 0 HZ PHE B 106 -0.575 5.918 4.200 1.00 2.46 H new ATOM 2142 N LEU B 107 4.020 0.548 8.899 1.00 1.00 N ATOM 2143 CA LEU B 107 5.178 -0.312 9.126 1.00 0.97 C ATOM 2144 C LEU B 107 4.890 -1.721 8.616 1.00 0.99 C ATOM 2145 O LEU B 107 5.778 -2.415 8.125 1.00 0.90 O ATOM 2146 CB LEU B 107 5.526 -0.344 10.620 1.00 1.00 C ATOM 2147 CG LEU B 107 6.939 -0.823 10.957 1.00 0.99 C ATOM 2148 CD1 LEU B 107 7.533 0.023 12.072 1.00 0.98 C ATOM 2149 CD2 LEU B 107 6.934 -2.293 11.355 1.00 1.10 C ATOM 0 H LEU B 107 3.607 0.931 9.749 1.00 1.00 H new ATOM 0 HA LEU B 107 6.031 0.089 8.579 1.00 0.97 H new ATOM 0 HB2 LEU B 107 5.394 0.658 11.027 1.00 1.00 H new ATOM 0 HB3 LEU B 107 4.811 -0.991 11.128 1.00 1.00 H new ATOM 0 HG LEU B 107 7.557 -0.713 10.066 1.00 0.99 H new ATOM 0 HD11 LEU B 107 8.539 -0.330 12.300 1.00 0.98 H new ATOM 0 HD12 LEU B 107 7.578 1.065 11.754 1.00 0.98 H new ATOM 0 HD13 LEU B 107 6.909 -0.058 12.962 1.00 0.98 H new ATOM 0 HD21 LEU B 107 7.950 -2.610 11.590 1.00 1.10 H new ATOM 0 HD22 LEU B 107 6.299 -2.431 12.231 1.00 1.10 H new ATOM 0 HD23 LEU B 107 6.549 -2.892 10.530 1.00 1.10 H new ATOM 2161 N ASP B 108 3.632 -2.122 8.726 1.00 1.16 N ATOM 2162 CA ASP B 108 3.198 -3.436 8.279 1.00 1.22 C ATOM 2163 C ASP B 108 3.155 -3.493 6.753 1.00 1.10 C ATOM 2164 O ASP B 108 3.566 -4.485 6.144 1.00 1.08 O ATOM 2165 CB ASP B 108 1.814 -3.758 8.868 1.00 1.48 C ATOM 2166 CG ASP B 108 0.959 -4.615 7.953 1.00 1.75 C ATOM 2167 OD1 ASP B 108 0.249 -4.051 7.097 1.00 2.33 O ATOM 2168 OD2 ASP B 108 0.998 -5.855 8.081 1.00 2.08 O ATOM 0 H ASP B 108 2.888 -1.549 9.125 1.00 1.16 H new ATOM 0 HA ASP B 108 3.912 -4.181 8.629 1.00 1.22 H new ATOM 0 HB2 ASP B 108 1.942 -4.272 9.821 1.00 1.48 H new ATOM 0 HB3 ASP B 108 1.289 -2.826 9.077 1.00 1.48 H new ATOM 2173 N GLN B 109 2.685 -2.410 6.150 1.00 1.14 N ATOM 2174 CA GLN B 109 2.561 -2.317 4.700 1.00 1.10 C ATOM 2175 C GLN B 109 3.923 -2.347 4.009 1.00 0.94 C ATOM 2176 O GLN B 109 4.153 -3.156 3.110 1.00 0.94 O ATOM 2177 CB GLN B 109 1.811 -1.037 4.320 1.00 1.23 C ATOM 2178 CG GLN B 109 1.817 -0.743 2.826 1.00 1.27 C ATOM 2179 CD GLN B 109 1.179 0.591 2.489 1.00 1.45 C ATOM 2180 OE1 GLN B 109 0.236 1.026 3.144 1.00 1.58 O ATOM 2181 NE2 GLN B 109 1.692 1.251 1.462 1.00 1.98 N ATOM 0 H GLN B 109 2.380 -1.574 6.648 1.00 1.14 H new ATOM 0 HA GLN B 109 1.998 -3.187 4.360 1.00 1.10 H new ATOM 0 HB2 GLN B 109 0.779 -1.117 4.661 1.00 1.23 H new ATOM 0 HB3 GLN B 109 2.257 -0.195 4.849 1.00 1.23 H new ATOM 0 HG2 GLN B 109 2.845 -0.752 2.462 1.00 1.27 H new ATOM 0 HG3 GLN B 109 1.286 -1.538 2.301 1.00 1.27 H new ATOM 0 HE21 GLN B 109 2.476 0.856 0.942 1.00 1.98 H new ATOM 0 HE22 GLN B 109 1.303 2.154 1.191 1.00 1.98 H new ATOM 2190 N VAL B 110 4.827 -1.478 4.441 1.00 0.88 N ATOM 2191 CA VAL B 110 6.154 -1.398 3.834 1.00 0.78 C ATOM 2192 C VAL B 110 6.977 -2.659 4.086 1.00 0.76 C ATOM 2193 O VAL B 110 7.807 -3.036 3.259 1.00 0.76 O ATOM 2194 CB VAL B 110 6.939 -0.162 4.321 1.00 0.70 C ATOM 2195 CG1 VAL B 110 6.257 1.116 3.857 1.00 0.74 C ATOM 2196 CG2 VAL B 110 7.088 -0.168 5.834 1.00 0.79 C ATOM 0 H VAL B 110 4.670 -0.821 5.205 1.00 0.88 H new ATOM 0 HA VAL B 110 5.987 -1.303 2.761 1.00 0.78 H new ATOM 0 HB VAL B 110 7.937 -0.203 3.886 1.00 0.70 H new ATOM 0 HG11 VAL B 110 6.823 1.979 4.209 1.00 0.74 H new ATOM 0 HG12 VAL B 110 6.213 1.130 2.768 1.00 0.74 H new ATOM 0 HG13 VAL B 110 5.246 1.156 4.261 1.00 0.74 H new ATOM 0 HG21 VAL B 110 7.645 0.715 6.148 1.00 0.79 H new ATOM 0 HG22 VAL B 110 6.101 -0.158 6.297 1.00 0.79 H new ATOM 0 HG23 VAL B 110 7.625 -1.065 6.143 1.00 0.79 H new ATOM 2206 N ALA B 111 6.737 -3.316 5.215 1.00 0.77 N ATOM 2207 CA ALA B 111 7.467 -4.534 5.555 1.00 0.77 C ATOM 2208 C ALA B 111 7.192 -5.644 4.546 1.00 0.82 C ATOM 2209 O ALA B 111 8.049 -6.487 4.293 1.00 0.80 O ATOM 2210 CB ALA B 111 7.114 -4.996 6.959 1.00 0.81 C ATOM 0 H ALA B 111 6.046 -3.028 5.908 1.00 0.77 H new ATOM 0 HA ALA B 111 8.532 -4.303 5.521 1.00 0.77 H new ATOM 0 HB1 ALA B 111 7.668 -5.905 7.193 1.00 0.81 H new ATOM 0 HB2 ALA B 111 7.376 -4.217 7.675 1.00 0.81 H new ATOM 0 HB3 ALA B 111 6.045 -5.198 7.017 1.00 0.81 H new ATOM 2216 N LYS B 112 5.996 -5.629 3.961 1.00 0.89 N ATOM 2217 CA LYS B 112 5.614 -6.638 2.979 1.00 0.96 C ATOM 2218 C LYS B 112 6.550 -6.600 1.778 1.00 0.96 C ATOM 2219 O LYS B 112 7.052 -7.634 1.335 1.00 1.00 O ATOM 2220 CB LYS B 112 4.172 -6.417 2.515 1.00 1.05 C ATOM 2221 CG LYS B 112 3.147 -6.467 3.636 1.00 1.15 C ATOM 2222 CD LYS B 112 3.058 -7.850 4.263 1.00 1.13 C ATOM 2223 CE LYS B 112 2.138 -7.851 5.473 1.00 1.18 C ATOM 2224 NZ LYS B 112 2.697 -7.050 6.589 1.00 1.69 N ATOM 0 H LYS B 112 5.277 -4.930 4.150 1.00 0.89 H new ATOM 0 HA LYS B 112 5.689 -7.616 3.454 1.00 0.96 H new ATOM 0 HB2 LYS B 112 4.105 -5.449 2.019 1.00 1.05 H new ATOM 0 HB3 LYS B 112 3.920 -7.174 1.772 1.00 1.05 H new ATOM 0 HG2 LYS B 112 3.411 -5.738 4.402 1.00 1.15 H new ATOM 0 HG3 LYS B 112 2.170 -6.181 3.247 1.00 1.15 H new ATOM 0 HD2 LYS B 112 2.692 -8.563 3.525 1.00 1.13 H new ATOM 0 HD3 LYS B 112 4.053 -8.181 4.560 1.00 1.13 H new ATOM 0 HE2 LYS B 112 1.164 -7.451 5.190 1.00 1.18 H new ATOM 0 HE3 LYS B 112 1.977 -8.876 5.806 1.00 1.18 H new ATOM 0 HZ1 LYS B 112 1.947 -6.846 7.280 1.00 1.69 H new ATOM 0 HZ2 LYS B 112 3.459 -7.585 7.053 1.00 1.69 H new ATOM 0 HZ3 LYS B 112 3.078 -6.156 6.218 1.00 1.69 H new ATOM 2238 N PHE B 113 6.796 -5.396 1.273 1.00 0.94 N ATOM 2239 CA PHE B 113 7.667 -5.213 0.122 1.00 0.96 C ATOM 2240 C PHE B 113 9.108 -5.557 0.479 1.00 0.90 C ATOM 2241 O PHE B 113 9.810 -6.213 -0.292 1.00 0.96 O ATOM 2242 CB PHE B 113 7.585 -3.770 -0.380 1.00 0.96 C ATOM 2243 CG PHE B 113 8.392 -3.513 -1.622 1.00 1.20 C ATOM 2244 CD1 PHE B 113 7.851 -3.746 -2.874 1.00 1.58 C ATOM 2245 CD2 PHE B 113 9.694 -3.035 -1.535 1.00 1.55 C ATOM 2246 CE1 PHE B 113 8.589 -3.512 -4.016 1.00 2.05 C ATOM 2247 CE2 PHE B 113 10.436 -2.800 -2.675 1.00 2.03 C ATOM 2248 CZ PHE B 113 9.882 -3.039 -3.918 1.00 2.21 C ATOM 0 H PHE B 113 6.403 -4.532 1.645 1.00 0.94 H new ATOM 0 HA PHE B 113 7.334 -5.884 -0.669 1.00 0.96 H new ATOM 0 HB2 PHE B 113 6.542 -3.523 -0.578 1.00 0.96 H new ATOM 0 HB3 PHE B 113 7.927 -3.101 0.409 1.00 0.96 H new ATOM 0 HD1 PHE B 113 6.840 -4.115 -2.958 1.00 1.58 H new ATOM 0 HD2 PHE B 113 10.130 -2.845 -0.565 1.00 1.55 H new ATOM 0 HE1 PHE B 113 8.155 -3.699 -4.987 1.00 2.05 H new ATOM 0 HE2 PHE B 113 11.448 -2.430 -2.596 1.00 2.03 H new ATOM 0 HZ PHE B 113 10.460 -2.856 -4.812 1.00 2.21 H new ATOM 2258 N ILE B 114 9.537 -5.119 1.655 1.00 0.80 N ATOM 2259 CA ILE B 114 10.895 -5.369 2.121 1.00 0.77 C ATOM 2260 C ILE B 114 11.177 -6.868 2.213 1.00 0.82 C ATOM 2261 O ILE B 114 12.201 -7.347 1.724 1.00 0.84 O ATOM 2262 CB ILE B 114 11.141 -4.724 3.502 1.00 0.69 C ATOM 2263 CG1 ILE B 114 11.044 -3.201 3.407 1.00 0.69 C ATOM 2264 CG2 ILE B 114 12.499 -5.136 4.047 1.00 0.68 C ATOM 2265 CD1 ILE B 114 11.039 -2.508 4.754 1.00 0.63 C ATOM 0 H ILE B 114 8.961 -4.586 2.307 1.00 0.80 H new ATOM 0 HA ILE B 114 11.570 -4.920 1.392 1.00 0.77 H new ATOM 0 HB ILE B 114 10.371 -5.077 4.189 1.00 0.69 H new ATOM 0 HG12 ILE B 114 11.883 -2.828 2.819 1.00 0.69 H new ATOM 0 HG13 ILE B 114 10.134 -2.936 2.868 1.00 0.69 H new ATOM 0 HG21 ILE B 114 12.656 -4.672 5.021 1.00 0.68 H new ATOM 0 HG22 ILE B 114 12.536 -6.220 4.151 1.00 0.68 H new ATOM 0 HG23 ILE B 114 13.281 -4.811 3.360 1.00 0.68 H new ATOM 0 HD11 ILE B 114 10.968 -1.430 4.608 1.00 0.63 H new ATOM 0 HD12 ILE B 114 10.185 -2.852 5.337 1.00 0.63 H new ATOM 0 HD13 ILE B 114 11.960 -2.742 5.287 1.00 0.63 H new ATOM 2277 N ILE B 115 10.256 -7.601 2.825 1.00 0.86 N ATOM 2278 CA ILE B 115 10.407 -9.040 2.993 1.00 0.94 C ATOM 2279 C ILE B 115 10.418 -9.762 1.644 1.00 0.95 C ATOM 2280 O ILE B 115 11.250 -10.638 1.411 1.00 1.00 O ATOM 2281 CB ILE B 115 9.285 -9.618 3.887 1.00 1.00 C ATOM 2282 CG1 ILE B 115 9.454 -9.126 5.328 1.00 1.03 C ATOM 2283 CG2 ILE B 115 9.280 -11.143 3.842 1.00 1.07 C ATOM 2284 CD1 ILE B 115 8.273 -9.441 6.225 1.00 1.10 C ATOM 0 H ILE B 115 9.393 -7.221 3.215 1.00 0.86 H new ATOM 0 HA ILE B 115 11.367 -9.206 3.482 1.00 0.94 H new ATOM 0 HB ILE B 115 8.327 -9.267 3.504 1.00 1.00 H new ATOM 0 HG12 ILE B 115 10.351 -9.576 5.753 1.00 1.03 H new ATOM 0 HG13 ILE B 115 9.613 -8.048 5.318 1.00 1.03 H new ATOM 0 HG21 ILE B 115 8.482 -11.523 4.479 1.00 1.07 H new ATOM 0 HG22 ILE B 115 9.116 -11.476 2.817 1.00 1.07 H new ATOM 0 HG23 ILE B 115 10.239 -11.521 4.197 1.00 1.07 H new ATOM 0 HD11 ILE B 115 8.467 -9.062 7.228 1.00 1.10 H new ATOM 0 HD12 ILE B 115 7.376 -8.968 5.825 1.00 1.10 H new ATOM 0 HD13 ILE B 115 8.126 -10.520 6.267 1.00 1.10 H new ATOM 2296 N ASP B 116 9.515 -9.382 0.745 1.00 0.93 N ATOM 2297 CA ASP B 116 9.438 -10.030 -0.564 1.00 0.97 C ATOM 2298 C ASP B 116 10.623 -9.653 -1.441 1.00 0.95 C ATOM 2299 O ASP B 116 10.971 -10.385 -2.363 1.00 0.96 O ATOM 2300 CB ASP B 116 8.133 -9.691 -1.288 1.00 1.05 C ATOM 2301 CG ASP B 116 7.700 -10.810 -2.220 1.00 1.19 C ATOM 2302 OD1 ASP B 116 6.996 -11.732 -1.754 1.00 1.25 O ATOM 2303 OD2 ASP B 116 8.066 -10.788 -3.417 1.00 1.38 O ATOM 0 H ASP B 116 8.833 -8.638 0.894 1.00 0.93 H new ATOM 0 HA ASP B 116 9.463 -11.104 -0.382 1.00 0.97 H new ATOM 0 HB2 ASP B 116 7.348 -9.504 -0.555 1.00 1.05 H new ATOM 0 HB3 ASP B 116 8.262 -8.771 -1.859 1.00 1.05 H new ATOM 2308 N ASN B 117 11.243 -8.516 -1.146 1.00 0.93 N ATOM 2309 CA ASN B 117 12.402 -8.048 -1.907 1.00 0.92 C ATOM 2310 C ASN B 117 13.537 -9.068 -1.839 1.00 0.91 C ATOM 2311 O ASN B 117 14.250 -9.289 -2.818 1.00 0.93 O ATOM 2312 CB ASN B 117 12.884 -6.692 -1.374 1.00 0.90 C ATOM 2313 CG ASN B 117 14.082 -6.146 -2.133 1.00 0.96 C ATOM 2314 OD1 ASN B 117 13.938 -5.500 -3.172 1.00 1.13 O ATOM 2315 ND2 ASN B 117 15.275 -6.395 -1.614 1.00 0.90 N ATOM 0 H ASN B 117 10.964 -7.898 -0.384 1.00 0.93 H new ATOM 0 HA ASN B 117 12.100 -7.929 -2.947 1.00 0.92 H new ATOM 0 HB2 ASN B 117 12.066 -5.974 -1.432 1.00 0.90 H new ATOM 0 HB3 ASN B 117 13.144 -6.794 -0.320 1.00 0.90 H new ATOM 0 HD21 ASN B 117 16.115 -6.048 -2.077 1.00 0.90 H new ATOM 0 HD22 ASN B 117 15.354 -6.934 -0.752 1.00 0.90 H new ATOM 2322 N THR B 118 13.691 -9.686 -0.677 1.00 0.91 N ATOM 2323 CA THR B 118 14.726 -10.685 -0.471 1.00 0.93 C ATOM 2324 C THR B 118 14.175 -12.097 -0.667 1.00 0.95 C ATOM 2325 O THR B 118 14.760 -12.902 -1.394 1.00 0.99 O ATOM 2326 CB THR B 118 15.324 -10.551 0.937 1.00 0.89 C ATOM 2327 OG1 THR B 118 14.383 -9.883 1.790 1.00 0.98 O ATOM 2328 CG2 THR B 118 16.625 -9.766 0.899 1.00 1.04 C ATOM 0 H THR B 118 13.108 -9.511 0.141 1.00 0.91 H new ATOM 0 HA THR B 118 15.508 -10.514 -1.211 1.00 0.93 H new ATOM 0 HB THR B 118 15.535 -11.548 1.324 1.00 0.89 H new ATOM 0 HG1 THR B 118 14.761 -9.797 2.690 1.00 0.98 H new ATOM 0 HG21 THR B 118 17.030 -9.684 1.908 1.00 1.04 H new ATOM 0 HG22 THR B 118 17.343 -10.282 0.261 1.00 1.04 H new ATOM 0 HG23 THR B 118 16.437 -8.769 0.501 1.00 1.04 H new ATOM 2336 N LYS B 119 13.038 -12.379 -0.032 1.00 1.14 N ATOM 2337 CA LYS B 119 12.395 -13.690 -0.118 1.00 1.18 C ATOM 2338 C LYS B 119 12.035 -14.041 -1.564 1.00 1.25 C ATOM 2339 O LYS B 119 12.323 -15.142 -2.035 1.00 1.18 O ATOM 2340 CB LYS B 119 11.138 -13.707 0.759 1.00 1.16 C ATOM 2341 CG LYS B 119 10.238 -14.914 0.536 1.00 1.26 C ATOM 2342 CD LYS B 119 8.851 -14.694 1.124 1.00 1.11 C ATOM 2343 CE LYS B 119 8.200 -13.440 0.562 1.00 1.63 C ATOM 2344 NZ LYS B 119 6.736 -13.402 0.813 1.00 2.10 N ATOM 0 H LYS B 119 12.539 -11.709 0.553 1.00 1.14 H new ATOM 0 HA LYS B 119 13.099 -14.440 0.241 1.00 1.18 H new ATOM 0 HB2 LYS B 119 11.439 -13.681 1.806 1.00 1.16 H new ATOM 0 HB3 LYS B 119 10.564 -12.800 0.569 1.00 1.16 H new ATOM 0 HG2 LYS B 119 10.154 -15.113 -0.532 1.00 1.26 H new ATOM 0 HG3 LYS B 119 10.691 -15.795 0.990 1.00 1.26 H new ATOM 0 HD2 LYS B 119 8.223 -15.559 0.910 1.00 1.11 H new ATOM 0 HD3 LYS B 119 8.923 -14.613 2.209 1.00 1.11 H new ATOM 0 HE2 LYS B 119 8.665 -12.561 1.008 1.00 1.63 H new ATOM 0 HE3 LYS B 119 8.384 -13.388 -0.511 1.00 1.63 H new ATOM 0 HZ1 LYS B 119 6.366 -12.462 0.566 1.00 2.10 H new ATOM 0 HZ2 LYS B 119 6.265 -14.123 0.230 1.00 2.10 H new ATOM 0 HZ3 LYS B 119 6.551 -13.594 1.818 1.00 2.10 H new ATOM 2358 N GLY B 120 11.407 -13.099 -2.253 1.00 1.50 N ATOM 2359 CA GLY B 120 11.017 -13.314 -3.631 1.00 1.61 C ATOM 2360 C GLY B 120 9.847 -14.266 -3.783 1.00 1.60 C ATOM 2361 O GLY B 120 10.037 -15.452 -4.049 1.00 1.81 O ATOM 0 H GLY B 120 11.159 -12.183 -1.878 1.00 1.50 H new ATOM 0 HA2 GLY B 120 10.757 -12.356 -4.081 1.00 1.61 H new ATOM 0 HA3 GLY B 120 11.870 -13.706 -4.185 1.00 1.61 H new ATOM 2365 N GLN B 121 8.632 -13.751 -3.632 1.00 1.41 N ATOM 2366 CA GLN B 121 7.437 -14.575 -3.764 1.00 1.44 C ATOM 2367 C GLN B 121 6.380 -13.860 -4.598 1.00 1.31 C ATOM 2368 O GLN B 121 5.908 -14.388 -5.601 1.00 1.43 O ATOM 2369 CB GLN B 121 6.868 -14.928 -2.386 1.00 1.40 C ATOM 2370 CG GLN B 121 5.705 -15.909 -2.434 1.00 1.46 C ATOM 2371 CD GLN B 121 5.004 -16.049 -1.097 1.00 1.55 C ATOM 2372 OE1 GLN B 121 4.988 -15.117 -0.292 1.00 1.64 O ATOM 2373 NE2 GLN B 121 4.414 -17.205 -0.852 1.00 2.11 N ATOM 0 H GLN B 121 8.449 -12.770 -3.419 1.00 1.41 H new ATOM 0 HA GLN B 121 7.718 -15.497 -4.272 1.00 1.44 H new ATOM 0 HB2 GLN B 121 7.663 -15.352 -1.773 1.00 1.40 H new ATOM 0 HB3 GLN B 121 6.539 -14.013 -1.894 1.00 1.40 H new ATOM 0 HG2 GLN B 121 4.986 -15.578 -3.184 1.00 1.46 H new ATOM 0 HG3 GLN B 121 6.071 -16.885 -2.752 1.00 1.46 H new ATOM 0 HE21 GLN B 121 4.450 -17.953 -1.545 1.00 2.11 H new ATOM 0 HE22 GLN B 121 3.923 -17.350 0.030 1.00 2.11 H new ATOM 2382 N MET B 122 6.023 -12.654 -4.182 1.00 1.11 N ATOM 2383 CA MET B 122 5.015 -11.869 -4.885 1.00 1.05 C ATOM 2384 C MET B 122 5.621 -11.161 -6.094 1.00 1.07 C ATOM 2385 O MET B 122 5.031 -11.143 -7.175 1.00 1.09 O ATOM 2386 CB MET B 122 4.388 -10.841 -3.934 1.00 1.10 C ATOM 2387 CG MET B 122 3.367 -9.923 -4.594 1.00 0.99 C ATOM 2388 SD MET B 122 1.899 -10.806 -5.172 1.00 1.81 S ATOM 2389 CE MET B 122 1.137 -11.261 -3.616 1.00 1.92 C ATOM 0 H MET B 122 6.416 -12.196 -3.360 1.00 1.11 H new ATOM 0 HA MET B 122 4.240 -12.548 -5.239 1.00 1.05 H new ATOM 0 HB2 MET B 122 3.907 -11.370 -3.111 1.00 1.10 H new ATOM 0 HB3 MET B 122 5.181 -10.232 -3.501 1.00 1.10 H new ATOM 0 HG2 MET B 122 3.066 -9.153 -3.884 1.00 0.99 H new ATOM 0 HG3 MET B 122 3.834 -9.414 -5.437 1.00 0.99 H new ATOM 0 HE1 MET B 122 0.101 -11.553 -3.790 1.00 1.92 H new ATOM 0 HE2 MET B 122 1.681 -12.097 -3.175 1.00 1.92 H new ATOM 0 HE3 MET B 122 1.165 -10.410 -2.935 1.00 1.92 H new ATOM 2399 N LEU B 123 6.797 -10.575 -5.907 1.00 1.19 N ATOM 2400 CA LEU B 123 7.462 -9.858 -6.987 1.00 1.33 C ATOM 2401 C LEU B 123 8.711 -10.593 -7.454 1.00 1.36 C ATOM 2402 O LEU B 123 9.005 -10.641 -8.652 1.00 1.48 O ATOM 2403 CB LEU B 123 7.827 -8.442 -6.539 1.00 1.57 C ATOM 2404 CG LEU B 123 6.637 -7.545 -6.185 1.00 1.57 C ATOM 2405 CD1 LEU B 123 7.127 -6.217 -5.640 1.00 1.82 C ATOM 2406 CD2 LEU B 123 5.751 -7.331 -7.403 1.00 1.59 C ATOM 0 H LEU B 123 7.307 -10.582 -5.024 1.00 1.19 H new ATOM 0 HA LEU B 123 6.768 -9.802 -7.825 1.00 1.33 H new ATOM 0 HB2 LEU B 123 8.482 -8.510 -5.670 1.00 1.57 H new ATOM 0 HB3 LEU B 123 8.400 -7.963 -7.333 1.00 1.57 H new ATOM 0 HG LEU B 123 6.044 -8.038 -5.415 1.00 1.57 H new ATOM 0 HD11 LEU B 123 6.272 -5.588 -5.392 1.00 1.82 H new ATOM 0 HD12 LEU B 123 7.723 -6.389 -4.744 1.00 1.82 H new ATOM 0 HD13 LEU B 123 7.738 -5.718 -6.392 1.00 1.82 H new ATOM 0 HD21 LEU B 123 4.910 -6.692 -7.134 1.00 1.59 H new ATOM 0 HD22 LEU B 123 6.330 -6.855 -8.195 1.00 1.59 H new ATOM 0 HD23 LEU B 123 5.377 -8.293 -7.754 1.00 1.59 H new ATOM 2418 N GLY B 124 9.450 -11.151 -6.505 1.00 1.44 N ATOM 2419 CA GLY B 124 10.663 -11.873 -6.836 1.00 1.48 C ATOM 2420 C GLY B 124 10.391 -13.100 -7.685 1.00 1.77 C ATOM 2421 O GLY B 124 10.889 -13.202 -8.806 1.00 2.49 O ATOM 0 H GLY B 124 9.231 -11.117 -5.509 1.00 1.44 H new ATOM 0 HA2 GLY B 124 11.344 -11.209 -7.369 1.00 1.48 H new ATOM 0 HA3 GLY B 124 11.166 -12.174 -5.917 1.00 1.48 H new ATOM 2425 N LEU B 125 9.592 -14.016 -7.141 1.00 1.39 N ATOM 2426 CA LEU B 125 9.229 -15.257 -7.826 1.00 1.59 C ATOM 2427 C LEU B 125 10.459 -16.120 -8.104 1.00 1.56 C ATOM 2428 O LEU B 125 10.880 -16.896 -7.246 1.00 1.53 O ATOM 2429 CB LEU B 125 8.465 -14.963 -9.124 1.00 1.94 C ATOM 2430 CG LEU B 125 7.012 -14.524 -8.934 1.00 1.48 C ATOM 2431 CD1 LEU B 125 6.523 -13.763 -10.155 1.00 1.69 C ATOM 2432 CD2 LEU B 125 6.125 -15.729 -8.668 1.00 1.63 C ATOM 0 H LEU B 125 9.178 -13.920 -6.214 1.00 1.39 H new ATOM 0 HA LEU B 125 8.571 -15.820 -7.163 1.00 1.59 H new ATOM 0 HB2 LEU B 125 8.995 -14.184 -9.672 1.00 1.94 H new ATOM 0 HB3 LEU B 125 8.480 -15.857 -9.747 1.00 1.94 H new ATOM 0 HG LEU B 125 6.961 -13.860 -8.071 1.00 1.48 H new ATOM 0 HD11 LEU B 125 5.488 -13.458 -10.003 1.00 1.69 H new ATOM 0 HD12 LEU B 125 7.143 -12.879 -10.305 1.00 1.69 H new ATOM 0 HD13 LEU B 125 6.587 -14.405 -11.034 1.00 1.69 H new ATOM 0 HD21 LEU B 125 5.094 -15.400 -8.535 1.00 1.63 H new ATOM 0 HD22 LEU B 125 6.181 -16.415 -9.513 1.00 1.63 H new ATOM 0 HD23 LEU B 125 6.463 -16.237 -7.765 1.00 1.63 H new