USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 825 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 6 LYS NZ :NH3+ -174:sc= 0.284 (180deg=0) USER MOD Set 1.2: B 68 HIS : no HE2:sc= 0.266 K(o=0.55,f=-1.8) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 55 THR OG1 : rot 116:sc= 0.524 USER MOD Set 2.3: B 57 SER OG : rot 180:sc= 0.481 USER MOD Set 3.1: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 19 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 7 THR OG1 : rot 109:sc= 1.05 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.899 USER MOD Set 5.1: A 31 MET CE :methyl 142:sc= -0.118 (180deg=0) USER MOD Set 5.2: A 39 HIS :FLIP no HD1:sc= -1.78 F(o=-4.1,f=-1.9) USER MOD Set 6.1: A 16 CYS SG : rot -117:sc= -0.0321 USER MOD Set 6.2: A 18 THR OG1 : rot -167:sc= 1.13 USER MOD Set 6.3: A 20 CYS SG : rot -106:sc= -0.141 USER MOD Set 6.4: A 32 CYS SG : rot -160:sc= 0.0528 USER MOD Set 6.5: A 35 CYS SG : rot 87:sc= 0.0102 USER MOD Single : A 14 MET CE :methyl -179:sc= 0 (180deg=-0.000883) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0328 X(o=-0.033,f=-0.4) USER MOD Single : A 28 THR OG1 : rot -26:sc= 1.06 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.9!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.464 K(o=-0.46,f=-1.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 179:sc= 1.59 (180deg=1.59) USER MOD Single : B 2 GLN :FLIP amide:sc= 0.0153 F(o=-2.1,f=0.015) USER MOD Single : B 11 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000865) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -78:sc= 0.098 USER MOD Single : B 20 SER OG : rot 180:sc= 0.00364 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.227 USER MOD Single : B 25 ASN :FLIP amide:sc= -0.136 F(o=-4!,f=-0.14) USER MOD Single : B 27 LYS NZ :NH3+ -148:sc= 0.0818 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.98) USER MOD Single : B 33 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.682) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.115 F(o=-1.7!,f=-0.11) USER MOD Single : B 41 GLN : amide:sc= -1.98! C(o=-2!,f=-3.8!) USER MOD Single : B 48 LYS NZ :NH3+ 132:sc= 0.378 (180deg=-0.00225) USER MOD Single : B 49 GLN : amide:sc= 0.00167 K(o=0.0017,f=-1.6!) USER MOD Single : B 59 TYR OH : rot 100:sc= 0.15 USER MOD Single : B 60 ASN : amide:sc= -0.0926 K(o=-0.093,f=-1.2) USER MOD Single : B 62 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 89:sc= 0.579 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 13 9.254 -10.251 -3.700 1.00 10.00 N ATOM 9 CA PRO A 13 9.526 -9.095 -4.558 1.00 10.00 C ATOM 10 C PRO A 13 8.338 -8.136 -4.624 1.00 10.00 C ATOM 11 O PRO A 13 7.587 -8.126 -5.603 1.00 10.00 O ATOM 12 CB PRO A 13 9.829 -9.713 -5.932 1.00 10.00 C ATOM 13 CG PRO A 13 9.170 -11.056 -5.916 1.00 10.00 C ATOM 14 CD PRO A 13 9.130 -11.507 -4.471 1.00 10.00 C ATOM 0 HA PRO A 13 10.349 -8.489 -4.180 1.00 10.00 H new ATOM 0 HB2 PRO A 13 9.437 -9.092 -6.737 1.00 10.00 H new ATOM 0 HB3 PRO A 13 10.903 -9.804 -6.094 1.00 10.00 H new ATOM 0 HG2 PRO A 13 8.164 -10.998 -6.331 1.00 10.00 H new ATOM 0 HG3 PRO A 13 9.726 -11.767 -6.527 1.00 10.00 H new ATOM 0 HD2 PRO A 13 8.200 -12.026 -4.241 1.00 10.00 H new ATOM 0 HD3 PRO A 13 9.944 -12.196 -4.245 1.00 10.00 H new ATOM 22 N MET A 14 8.182 -7.324 -3.573 1.00 10.00 N ATOM 23 CA MET A 14 7.087 -6.358 -3.504 1.00 10.00 C ATOM 24 C MET A 14 7.332 -5.207 -4.482 1.00 10.00 C ATOM 25 O MET A 14 7.831 -4.145 -4.100 1.00 10.00 O ATOM 26 CB MET A 14 6.941 -5.825 -2.071 1.00 10.00 C ATOM 27 CG MET A 14 6.195 -6.854 -1.216 1.00 10.00 C ATOM 28 SD MET A 14 4.442 -6.866 -1.675 1.00 10.00 S ATOM 29 CE MET A 14 3.766 -7.152 -0.022 1.00 10.00 C ATOM 0 H MET A 14 8.800 -7.318 -2.762 1.00 10.00 H new ATOM 0 HA MET A 14 6.160 -6.857 -3.785 1.00 10.00 H new ATOM 0 HB2 MET A 14 7.924 -5.626 -1.644 1.00 10.00 H new ATOM 0 HB3 MET A 14 6.398 -4.880 -2.077 1.00 10.00 H new ATOM 0 HG2 MET A 14 6.626 -7.844 -1.361 1.00 10.00 H new ATOM 0 HG3 MET A 14 6.303 -6.611 -0.159 1.00 10.00 H new ATOM 0 HE1 MET A 14 2.679 -7.213 -0.079 1.00 10.00 H new ATOM 0 HE2 MET A 14 4.161 -8.087 0.376 1.00 10.00 H new ATOM 0 HE3 MET A 14 4.050 -6.329 0.634 1.00 10.00 H new ATOM 39 N LEU A 15 6.982 -5.435 -5.752 1.00 10.00 N ATOM 40 CA LEU A 15 7.168 -4.426 -6.793 1.00 10.00 C ATOM 41 C LEU A 15 6.114 -3.325 -6.659 1.00 10.00 C ATOM 42 O LEU A 15 4.978 -3.593 -6.271 1.00 10.00 O ATOM 43 CB LEU A 15 7.076 -5.096 -8.184 1.00 10.00 C ATOM 44 CG LEU A 15 8.355 -4.836 -9.001 1.00 10.00 C ATOM 45 CD1 LEU A 15 9.556 -5.511 -8.330 1.00 10.00 C ATOM 46 CD2 LEU A 15 8.174 -5.412 -10.408 1.00 10.00 C ATOM 0 H LEU A 15 6.570 -6.308 -6.081 1.00 10.00 H new ATOM 0 HA LEU A 15 8.153 -3.972 -6.681 1.00 10.00 H new ATOM 0 HB2 LEU A 15 6.926 -6.169 -8.067 1.00 10.00 H new ATOM 0 HB3 LEU A 15 6.210 -4.710 -8.722 1.00 10.00 H new ATOM 0 HG LEU A 15 8.535 -3.762 -9.055 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.455 -5.321 -8.916 1.00 10.00 H new ATOM 0 HD12 LEU A 15 9.686 -5.108 -7.326 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.383 -6.585 -8.270 1.00 10.00 H new ATOM 0 HD21 LEU A 15 9.076 -5.232 -10.994 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.993 -6.485 -10.341 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.325 -4.930 -10.892 1.00 10.00 H new ATOM 58 N CYS A 16 6.510 -2.080 -6.962 1.00 10.00 N ATOM 59 CA CYS A 16 5.614 -0.913 -6.856 1.00 10.00 C ATOM 60 C CYS A 16 4.203 -1.162 -7.419 1.00 10.00 C ATOM 61 O CYS A 16 4.039 -1.690 -8.518 1.00 10.00 O ATOM 62 CB CYS A 16 6.235 0.284 -7.579 1.00 10.00 C ATOM 63 SG CYS A 16 5.455 1.807 -6.990 1.00 10.00 S ATOM 0 H CYS A 16 7.450 -1.852 -7.285 1.00 10.00 H new ATOM 0 HA CYS A 16 5.501 -0.713 -5.790 1.00 10.00 H new ATOM 0 HB2 CYS A 16 7.309 0.317 -7.396 1.00 10.00 H new ATOM 0 HB3 CYS A 16 6.098 0.184 -8.656 1.00 10.00 H new ATOM 0 HG CYS A 16 4.837 2.388 -7.976 1.00 10.00 H new ATOM 68 N SER A 17 3.200 -0.773 -6.627 1.00 10.00 N ATOM 69 CA SER A 17 1.798 -0.948 -7.010 1.00 10.00 C ATOM 70 C SER A 17 1.443 -0.093 -8.230 1.00 10.00 C ATOM 71 O SER A 17 0.605 -0.490 -9.042 1.00 10.00 O ATOM 72 CB SER A 17 0.887 -0.573 -5.839 1.00 10.00 C ATOM 73 OG SER A 17 1.220 -1.374 -4.714 1.00 10.00 O ATOM 0 H SER A 17 3.334 -0.334 -5.716 1.00 10.00 H new ATOM 0 HA SER A 17 1.650 -1.996 -7.271 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.003 0.483 -5.596 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.157 -0.724 -6.112 1.00 10.00 H new ATOM 0 HG SER A 17 0.640 -1.137 -3.960 1.00 10.00 H new ATOM 79 N THR A 18 2.075 1.078 -8.348 1.00 10.00 N ATOM 80 CA THR A 18 1.801 1.977 -9.474 1.00 10.00 C ATOM 81 C THR A 18 2.390 1.452 -10.797 1.00 10.00 C ATOM 82 O THR A 18 2.027 1.949 -11.865 1.00 10.00 O ATOM 83 CB THR A 18 2.350 3.375 -9.181 1.00 10.00 C ATOM 84 OG1 THR A 18 3.744 3.294 -8.934 1.00 10.00 O ATOM 85 CG2 THR A 18 1.644 3.962 -7.955 1.00 10.00 C ATOM 0 H THR A 18 2.771 1.423 -7.687 1.00 10.00 H new ATOM 0 HA THR A 18 0.718 2.024 -9.591 1.00 10.00 H new ATOM 0 HB THR A 18 2.171 4.020 -10.041 1.00 10.00 H new ATOM 0 HG1 THR A 18 4.058 4.139 -8.549 1.00 10.00 H new ATOM 0 HG21 THR A 18 2.038 4.957 -7.750 1.00 10.00 H new ATOM 0 HG22 THR A 18 0.573 4.028 -8.149 1.00 10.00 H new ATOM 0 HG23 THR A 18 1.817 3.319 -7.092 1.00 10.00 H new ATOM 93 N GLY A 19 3.280 0.448 -10.733 1.00 10.00 N ATOM 94 CA GLY A 19 3.875 -0.118 -11.945 1.00 10.00 C ATOM 95 C GLY A 19 4.934 0.805 -12.539 1.00 10.00 C ATOM 96 O GLY A 19 4.973 1.005 -13.755 1.00 10.00 O ATOM 0 H GLY A 19 3.598 0.019 -9.864 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.323 -1.084 -11.713 1.00 10.00 H new ATOM 0 HA3 GLY A 19 3.094 -0.298 -12.684 1.00 10.00 H new ATOM 100 N CYS A 20 5.793 1.362 -11.689 1.00 10.00 N ATOM 101 CA CYS A 20 6.841 2.271 -12.152 1.00 10.00 C ATOM 102 C CYS A 20 8.084 1.507 -12.657 1.00 10.00 C ATOM 103 O CYS A 20 8.945 2.094 -13.309 1.00 10.00 O ATOM 104 CB CYS A 20 7.221 3.257 -11.035 1.00 10.00 C ATOM 105 SG CYS A 20 8.085 2.480 -9.658 1.00 10.00 S ATOM 0 H CYS A 20 5.786 1.202 -10.682 1.00 10.00 H new ATOM 0 HA CYS A 20 6.444 2.832 -12.998 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.851 4.042 -11.453 1.00 10.00 H new ATOM 0 HB3 CYS A 20 6.317 3.738 -10.662 1.00 10.00 H new ATOM 0 HG CYS A 20 7.286 2.397 -8.636 1.00 10.00 H new ATOM 110 N GLY A 21 8.174 0.196 -12.358 1.00 10.00 N ATOM 111 CA GLY A 21 9.313 -0.612 -12.817 1.00 10.00 C ATOM 112 C GLY A 21 10.425 -0.746 -11.764 1.00 10.00 C ATOM 113 O GLY A 21 11.474 -1.324 -12.053 1.00 10.00 O ATOM 0 H GLY A 21 7.483 -0.316 -11.810 1.00 10.00 H new ATOM 0 HA2 GLY A 21 8.958 -1.606 -13.090 1.00 10.00 H new ATOM 0 HA3 GLY A 21 9.728 -0.163 -13.719 1.00 10.00 H new ATOM 117 N PHE A 22 10.198 -0.218 -10.557 1.00 10.00 N ATOM 118 CA PHE A 22 11.195 -0.287 -9.488 1.00 10.00 C ATOM 119 C PHE A 22 10.710 -1.158 -8.342 1.00 10.00 C ATOM 120 O PHE A 22 9.573 -1.628 -8.357 1.00 10.00 O ATOM 121 CB PHE A 22 11.522 1.127 -9.009 1.00 10.00 C ATOM 122 CG PHE A 22 12.350 1.857 -10.030 1.00 10.00 C ATOM 123 CD1 PHE A 22 13.738 1.783 -9.983 1.00 10.00 C ATOM 124 CD2 PHE A 22 11.752 2.578 -11.056 1.00 10.00 C ATOM 125 CE1 PHE A 22 14.516 2.416 -10.937 1.00 10.00 C ATOM 126 CE2 PHE A 22 12.525 3.218 -12.012 1.00 10.00 C ATOM 127 CZ PHE A 22 13.910 3.137 -11.954 1.00 10.00 C ATOM 0 H PHE A 22 9.335 0.260 -10.298 1.00 10.00 H new ATOM 0 HA PHE A 22 12.103 -0.747 -9.877 1.00 10.00 H new ATOM 0 HB2 PHE A 22 10.599 1.676 -8.823 1.00 10.00 H new ATOM 0 HB3 PHE A 22 12.061 1.080 -8.063 1.00 10.00 H new ATOM 0 HD1 PHE A 22 14.215 1.224 -9.192 1.00 10.00 H new ATOM 0 HD2 PHE A 22 10.675 2.640 -11.109 1.00 10.00 H new ATOM 0 HE1 PHE A 22 15.593 2.348 -10.889 1.00 10.00 H new ATOM 0 HE2 PHE A 22 12.050 3.780 -12.802 1.00 10.00 H new ATOM 0 HZ PHE A 22 14.513 3.634 -12.699 1.00 10.00 H new ATOM 137 N TYR A 23 11.576 -1.375 -7.356 1.00 10.00 N ATOM 138 CA TYR A 23 11.232 -2.200 -6.208 1.00 10.00 C ATOM 139 C TYR A 23 10.600 -1.370 -5.092 1.00 10.00 C ATOM 140 O TYR A 23 10.990 -0.231 -4.864 1.00 10.00 O ATOM 141 CB TYR A 23 12.473 -2.918 -5.677 1.00 10.00 C ATOM 142 CG TYR A 23 12.623 -4.304 -6.253 1.00 10.00 C ATOM 143 CD1 TYR A 23 13.106 -4.471 -7.543 1.00 10.00 C ATOM 144 CD2 TYR A 23 12.266 -5.435 -5.527 1.00 10.00 C ATOM 145 CE1 TYR A 23 13.235 -5.728 -8.102 1.00 10.00 C ATOM 146 CE2 TYR A 23 12.389 -6.700 -6.077 1.00 10.00 C ATOM 147 CZ TYR A 23 12.875 -6.842 -7.367 1.00 10.00 C ATOM 148 OH TYR A 23 13.005 -8.103 -7.917 1.00 10.00 O ATOM 0 H TYR A 23 12.520 -0.990 -7.331 1.00 10.00 H new ATOM 0 HA TYR A 23 10.502 -2.938 -6.540 1.00 10.00 H new ATOM 0 HB2 TYR A 23 13.360 -2.330 -5.915 1.00 10.00 H new ATOM 0 HB3 TYR A 23 12.415 -2.983 -4.590 1.00 10.00 H new ATOM 0 HD1 TYR A 23 13.386 -3.603 -8.121 1.00 10.00 H new ATOM 0 HD2 TYR A 23 11.888 -5.325 -4.521 1.00 10.00 H new ATOM 0 HE1 TYR A 23 13.615 -5.839 -9.107 1.00 10.00 H new ATOM 0 HE2 TYR A 23 12.108 -7.571 -5.504 1.00 10.00 H new ATOM 0 HH TYR A 23 12.709 -8.775 -7.268 1.00 10.00 H new ATOM 158 N GLY A 24 9.614 -1.956 -4.404 1.00 10.00 N ATOM 159 CA GLY A 24 8.935 -1.270 -3.313 1.00 10.00 C ATOM 160 C GLY A 24 9.248 -1.904 -1.969 1.00 10.00 C ATOM 161 O GLY A 24 9.926 -2.931 -1.907 1.00 10.00 O ATOM 0 H GLY A 24 9.274 -2.900 -4.587 1.00 10.00 H new ATOM 0 HA2 GLY A 24 9.235 -0.222 -3.300 1.00 10.00 H new ATOM 0 HA3 GLY A 24 7.859 -1.291 -3.484 1.00 10.00 H new ATOM 165 N ASN A 25 8.761 -1.296 -0.890 1.00 10.00 N ATOM 166 CA ASN A 25 8.999 -1.814 0.452 1.00 10.00 C ATOM 167 C ASN A 25 7.682 -2.213 1.122 1.00 10.00 C ATOM 168 O ASN A 25 6.754 -1.423 1.179 1.00 10.00 O ATOM 169 CB ASN A 25 9.684 -0.760 1.320 1.00 10.00 C ATOM 170 CG ASN A 25 11.159 -1.087 1.543 1.00 10.00 C ATOM 171 OD1 ASN A 25 11.824 -1.604 0.655 1.00 10.00 O ATOM 172 ND2 ASN A 25 11.690 -0.783 2.720 1.00 10.00 N ATOM 0 H ASN A 25 8.200 -0.445 -0.920 1.00 10.00 H new ATOM 0 HA ASN A 25 9.641 -2.690 0.357 1.00 10.00 H new ATOM 0 HB2 ASN A 25 9.595 0.217 0.845 1.00 10.00 H new ATOM 0 HB3 ASN A 25 9.176 -0.694 2.282 1.00 10.00 H new ATOM 0 HD21 ASN A 25 12.674 -0.980 2.902 1.00 10.00 H new ATOM 0 HD22 ASN A 25 11.114 -0.353 3.443 1.00 10.00 H new ATOM 179 N PRO A 26 7.555 -3.447 1.644 1.00 10.00 N ATOM 180 CA PRO A 26 6.296 -3.888 2.324 1.00 10.00 C ATOM 181 C PRO A 26 6.048 -3.129 3.632 1.00 10.00 C ATOM 182 O PRO A 26 4.912 -3.075 4.110 1.00 10.00 O ATOM 183 CB PRO A 26 6.511 -5.376 2.572 1.00 10.00 C ATOM 184 CG PRO A 26 7.990 -5.551 2.619 1.00 10.00 C ATOM 185 CD PRO A 26 8.563 -4.530 1.644 1.00 10.00 C ATOM 0 HA PRO A 26 5.412 -3.687 1.718 1.00 10.00 H new ATOM 0 HB2 PRO A 26 6.047 -5.691 3.506 1.00 10.00 H new ATOM 0 HB3 PRO A 26 6.068 -5.976 1.777 1.00 10.00 H new ATOM 0 HG2 PRO A 26 8.371 -5.385 3.627 1.00 10.00 H new ATOM 0 HG3 PRO A 26 8.273 -6.564 2.334 1.00 10.00 H new ATOM 0 HD2 PRO A 26 9.539 -4.169 1.968 1.00 10.00 H new ATOM 0 HD3 PRO A 26 8.695 -4.955 0.649 1.00 10.00 H new ATOM 193 N ARG A 27 7.098 -2.506 4.187 1.00 10.00 N ATOM 194 CA ARG A 27 6.956 -1.714 5.413 1.00 10.00 C ATOM 195 C ARG A 27 6.168 -0.431 5.112 1.00 10.00 C ATOM 196 O ARG A 27 5.335 -0.003 5.910 1.00 10.00 O ATOM 197 CB ARG A 27 8.333 -1.336 5.963 1.00 10.00 C ATOM 198 CG ARG A 27 9.136 -2.603 6.267 1.00 10.00 C ATOM 199 CD ARG A 27 10.476 -2.222 6.909 1.00 10.00 C ATOM 200 NE ARG A 27 10.260 -1.677 8.260 1.00 10.00 N ATOM 201 CZ ARG A 27 11.269 -1.448 9.124 1.00 10.00 C ATOM 202 NH1 ARG A 27 12.518 -1.734 8.829 1.00 10.00 N ATOM 203 NH2 ARG A 27 10.999 -0.933 10.293 1.00 10.00 N ATOM 0 H ARG A 27 8.045 -2.536 3.809 1.00 10.00 H new ATOM 0 HA ARG A 27 6.424 -2.311 6.153 1.00 10.00 H new ATOM 0 HB2 ARG A 27 8.867 -0.721 5.239 1.00 10.00 H new ATOM 0 HB3 ARG A 27 8.222 -0.739 6.868 1.00 10.00 H new ATOM 0 HG2 ARG A 27 8.572 -3.251 6.937 1.00 10.00 H new ATOM 0 HG3 ARG A 27 9.308 -3.166 5.349 1.00 10.00 H new ATOM 0 HD2 ARG A 27 11.123 -3.097 6.962 1.00 10.00 H new ATOM 0 HD3 ARG A 27 10.987 -1.485 6.290 1.00 10.00 H new ATOM 0 HE ARG A 27 9.307 -1.464 8.554 1.00 10.00 H new ATOM 0 HH11 ARG A 27 12.747 -2.142 7.923 1.00 10.00 H new ATOM 0 HH12 ARG A 27 13.258 -1.548 9.506 1.00 10.00 H new ATOM 0 HH21 ARG A 27 10.035 -0.710 10.542 1.00 10.00 H new ATOM 0 HH22 ARG A 27 11.752 -0.754 10.958 1.00 10.00 H new ATOM 217 N THR A 28 6.427 0.152 3.931 1.00 10.00 N ATOM 218 CA THR A 28 5.726 1.356 3.502 1.00 10.00 C ATOM 219 C THR A 28 4.336 0.944 2.975 1.00 10.00 C ATOM 220 O THR A 28 3.807 -0.086 3.398 1.00 10.00 O ATOM 221 CB THR A 28 6.558 2.092 2.428 1.00 10.00 C ATOM 222 OG1 THR A 28 6.667 1.271 1.274 1.00 10.00 O ATOM 223 CG2 THR A 28 7.961 2.411 2.961 1.00 10.00 C ATOM 0 H THR A 28 7.116 -0.195 3.263 1.00 10.00 H new ATOM 0 HA THR A 28 5.593 2.047 4.334 1.00 10.00 H new ATOM 0 HB THR A 28 6.058 3.027 2.174 1.00 10.00 H new ATOM 0 HG1 THR A 28 6.580 0.330 1.533 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.533 2.929 2.192 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.879 3.047 3.843 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.468 1.484 3.228 1.00 10.00 H new ATOM 231 N ASN A 29 3.746 1.729 2.066 1.00 10.00 N ATOM 232 CA ASN A 29 2.426 1.412 1.517 1.00 10.00 C ATOM 233 C ASN A 29 2.521 0.539 0.254 1.00 10.00 C ATOM 234 O ASN A 29 1.632 0.588 -0.601 1.00 10.00 O ATOM 235 CB ASN A 29 1.696 2.720 1.190 1.00 10.00 C ATOM 236 CG ASN A 29 1.072 3.293 2.458 1.00 10.00 C ATOM 237 OD1 ASN A 29 1.751 3.430 3.475 1.00 10.00 O ATOM 238 ND2 ASN A 29 -0.184 3.637 2.461 1.00 10.00 N ATOM 0 H ASN A 29 4.161 2.585 1.697 1.00 10.00 H new ATOM 0 HA ASN A 29 1.874 0.843 2.265 1.00 10.00 H new ATOM 0 HB2 ASN A 29 2.393 3.439 0.760 1.00 10.00 H new ATOM 0 HB3 ASN A 29 0.923 2.539 0.443 1.00 10.00 H new ATOM 0 HD21 ASN A 29 -0.606 4.020 3.307 1.00 10.00 H new ATOM 0 HD22 ASN A 29 -0.746 3.523 1.617 1.00 10.00 H new ATOM 245 N GLY A 30 3.602 -0.246 0.124 1.00 10.00 N ATOM 246 CA GLY A 30 3.790 -1.092 -1.054 1.00 10.00 C ATOM 247 C GLY A 30 4.447 -0.311 -2.202 1.00 10.00 C ATOM 248 O GLY A 30 4.486 -0.794 -3.336 1.00 10.00 O ATOM 0 H GLY A 30 4.350 -0.309 0.815 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.410 -1.950 -0.793 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.827 -1.483 -1.382 1.00 10.00 H new ATOM 252 N MET A 31 4.944 0.907 -1.912 1.00 10.00 N ATOM 253 CA MET A 31 5.567 1.744 -2.931 1.00 10.00 C ATOM 254 C MET A 31 7.008 2.093 -2.555 1.00 10.00 C ATOM 255 O MET A 31 7.405 1.980 -1.394 1.00 10.00 O ATOM 256 CB MET A 31 4.761 3.035 -3.080 1.00 10.00 C ATOM 257 CG MET A 31 3.603 2.825 -4.055 1.00 10.00 C ATOM 258 SD MET A 31 2.288 1.868 -3.259 1.00 10.00 S ATOM 259 CE MET A 31 0.891 2.878 -3.819 1.00 10.00 C ATOM 0 H MET A 31 4.922 1.324 -0.981 1.00 10.00 H new ATOM 0 HA MET A 31 5.580 1.191 -3.870 1.00 10.00 H new ATOM 0 HB2 MET A 31 4.376 3.346 -2.109 1.00 10.00 H new ATOM 0 HB3 MET A 31 5.407 3.836 -3.439 1.00 10.00 H new ATOM 0 HG2 MET A 31 3.214 3.789 -4.384 1.00 10.00 H new ATOM 0 HG3 MET A 31 3.956 2.303 -4.945 1.00 10.00 H new ATOM 0 HE1 MET A 31 0.047 2.231 -4.058 1.00 10.00 H new ATOM 0 HE2 MET A 31 0.604 3.572 -3.029 1.00 10.00 H new ATOM 0 HE3 MET A 31 1.181 3.439 -4.707 1.00 10.00 H new ATOM 269 N CYS A 32 7.779 2.516 -3.554 1.00 10.00 N ATOM 270 CA CYS A 32 9.170 2.893 -3.349 1.00 10.00 C ATOM 271 C CYS A 32 9.244 4.243 -2.618 1.00 10.00 C ATOM 272 O CYS A 32 8.230 4.742 -2.140 1.00 10.00 O ATOM 273 CB CYS A 32 9.895 2.926 -4.706 1.00 10.00 C ATOM 274 SG CYS A 32 9.136 4.051 -5.892 1.00 10.00 S ATOM 0 H CYS A 32 7.459 2.606 -4.518 1.00 10.00 H new ATOM 0 HA CYS A 32 9.671 2.157 -2.721 1.00 10.00 H new ATOM 0 HB2 CYS A 32 10.933 3.221 -4.549 1.00 10.00 H new ATOM 0 HB3 CYS A 32 9.909 1.921 -5.127 1.00 10.00 H new ATOM 0 HG CYS A 32 9.509 3.730 -7.095 1.00 10.00 H new ATOM 279 N SER A 33 10.431 4.835 -2.522 1.00 10.00 N ATOM 280 CA SER A 33 10.595 6.115 -1.814 1.00 10.00 C ATOM 281 C SER A 33 10.102 7.317 -2.623 1.00 10.00 C ATOM 282 O SER A 33 9.889 8.398 -2.073 1.00 10.00 O ATOM 283 CB SER A 33 12.069 6.324 -1.451 1.00 10.00 C ATOM 284 OG SER A 33 12.817 6.613 -2.600 1.00 10.00 O ATOM 0 H SER A 33 11.291 4.458 -2.920 1.00 10.00 H new ATOM 0 HA SER A 33 9.981 6.054 -0.916 1.00 10.00 H new ATOM 0 HB2 SER A 33 12.162 7.140 -0.734 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.462 5.429 -0.969 1.00 10.00 H new ATOM 0 HG SER A 33 13.756 6.746 -2.354 1.00 10.00 H new ATOM 290 N VAL A 34 9.913 7.118 -3.924 1.00 10.00 N ATOM 291 CA VAL A 34 9.479 8.192 -4.817 1.00 10.00 C ATOM 292 C VAL A 34 7.949 8.315 -4.896 1.00 10.00 C ATOM 293 O VAL A 34 7.406 9.417 -4.809 1.00 10.00 O ATOM 294 CB VAL A 34 10.049 7.987 -6.238 1.00 10.00 C ATOM 295 CG1 VAL A 34 9.635 9.142 -7.145 1.00 10.00 C ATOM 296 CG2 VAL A 34 11.573 7.869 -6.193 1.00 10.00 C ATOM 0 H VAL A 34 10.054 6.220 -4.387 1.00 10.00 H new ATOM 0 HA VAL A 34 9.867 9.118 -4.393 1.00 10.00 H new ATOM 0 HB VAL A 34 9.643 7.060 -6.643 1.00 10.00 H new ATOM 0 HG11 VAL A 34 10.043 8.985 -8.143 1.00 10.00 H new ATOM 0 HG12 VAL A 34 8.547 9.189 -7.201 1.00 10.00 H new ATOM 0 HG13 VAL A 34 10.018 10.078 -6.739 1.00 10.00 H new ATOM 0 HG21 VAL A 34 11.957 7.725 -7.203 1.00 10.00 H new ATOM 0 HG22 VAL A 34 11.996 8.780 -5.771 1.00 10.00 H new ATOM 0 HG23 VAL A 34 11.854 7.017 -5.573 1.00 10.00 H new ATOM 306 N CYS A 35 7.269 7.188 -5.048 1.00 10.00 N ATOM 307 CA CYS A 35 5.808 7.162 -5.151 1.00 10.00 C ATOM 308 C CYS A 35 5.120 7.271 -3.792 1.00 10.00 C ATOM 309 O CYS A 35 3.988 7.747 -3.707 1.00 10.00 O ATOM 310 CB CYS A 35 5.379 5.881 -5.854 1.00 10.00 C ATOM 311 SG CYS A 35 6.029 5.773 -7.530 1.00 10.00 S ATOM 0 H CYS A 35 7.706 6.268 -5.104 1.00 10.00 H new ATOM 0 HA CYS A 35 5.501 8.034 -5.729 1.00 10.00 H new ATOM 0 HB2 CYS A 35 5.720 5.021 -5.278 1.00 10.00 H new ATOM 0 HB3 CYS A 35 4.291 5.833 -5.885 1.00 10.00 H new ATOM 0 HG CYS A 35 7.215 5.241 -7.502 1.00 10.00 H new ATOM 316 N TYR A 36 5.818 6.853 -2.737 1.00 10.00 N ATOM 317 CA TYR A 36 5.264 6.894 -1.375 1.00 10.00 C ATOM 318 C TYR A 36 4.887 8.320 -0.943 1.00 10.00 C ATOM 319 O TYR A 36 3.786 8.538 -0.436 1.00 10.00 O ATOM 320 CB TYR A 36 6.278 6.271 -0.385 1.00 10.00 C ATOM 321 CG TYR A 36 5.771 6.285 1.054 1.00 10.00 C ATOM 322 CD1 TYR A 36 4.437 5.955 1.357 1.00 10.00 C ATOM 323 CD2 TYR A 36 6.654 6.616 2.089 1.00 10.00 C ATOM 324 CE1 TYR A 36 3.996 5.961 2.686 1.00 10.00 C ATOM 325 CE2 TYR A 36 6.211 6.624 3.417 1.00 10.00 C ATOM 326 CZ TYR A 36 4.885 6.297 3.717 1.00 10.00 C ATOM 327 OH TYR A 36 4.451 6.300 5.026 1.00 10.00 O ATOM 0 H TYR A 36 6.766 6.482 -2.794 1.00 10.00 H new ATOM 0 HA TYR A 36 4.343 6.311 -1.369 1.00 10.00 H new ATOM 0 HB2 TYR A 36 6.488 5.244 -0.683 1.00 10.00 H new ATOM 0 HB3 TYR A 36 7.219 6.818 -0.441 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.752 5.697 0.563 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.680 6.866 1.862 1.00 10.00 H new ATOM 0 HE1 TYR A 36 2.972 5.707 2.917 1.00 10.00 H new ATOM 0 HE2 TYR A 36 6.895 6.883 4.212 1.00 10.00 H new ATOM 0 HH TYR A 36 5.192 6.554 5.616 1.00 10.00 H new ATOM 337 N LYS A 37 5.795 9.276 -1.141 1.00 10.00 N ATOM 338 CA LYS A 37 5.525 10.660 -0.751 1.00 10.00 C ATOM 339 C LYS A 37 4.507 11.282 -1.702 1.00 10.00 C ATOM 340 O LYS A 37 3.585 11.976 -1.271 1.00 10.00 O ATOM 341 CB LYS A 37 6.820 11.494 -0.712 1.00 10.00 C ATOM 342 CG LYS A 37 7.499 11.530 -2.085 1.00 10.00 C ATOM 343 CD LYS A 37 8.792 12.337 -1.996 1.00 10.00 C ATOM 344 CE LYS A 37 9.309 12.626 -3.405 1.00 10.00 C ATOM 345 NZ LYS A 37 10.711 13.126 -3.326 1.00 10.00 N ATOM 0 H LYS A 37 6.711 9.122 -1.563 1.00 10.00 H new ATOM 0 HA LYS A 37 5.108 10.657 0.256 1.00 10.00 H new ATOM 0 HB2 LYS A 37 6.592 12.510 -0.390 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.505 11.073 0.024 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.714 10.516 -2.422 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.830 11.976 -2.821 1.00 10.00 H new ATOM 0 HD2 LYS A 37 8.614 13.271 -1.463 1.00 10.00 H new ATOM 0 HD3 LYS A 37 9.540 11.784 -1.429 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.268 11.722 -4.012 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.674 13.366 -3.892 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 11.064 13.323 -4.284 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 10.737 13.999 -2.761 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 11.312 12.405 -2.877 1.00 10.00 H new ATOM 359 N GLU A 38 4.699 11.040 -3.001 1.00 10.00 N ATOM 360 CA GLU A 38 3.813 11.588 -4.033 1.00 10.00 C ATOM 361 C GLU A 38 2.345 11.231 -3.782 1.00 10.00 C ATOM 362 O GLU A 38 1.461 12.063 -4.005 1.00 10.00 O ATOM 363 CB GLU A 38 4.234 11.063 -5.409 1.00 10.00 C ATOM 364 CG GLU A 38 5.430 11.868 -5.923 1.00 10.00 C ATOM 365 CD GLU A 38 4.956 13.213 -6.461 1.00 10.00 C ATOM 366 OE1 GLU A 38 4.000 13.223 -7.216 1.00 10.00 O ATOM 367 OE2 GLU A 38 5.559 14.212 -6.108 1.00 10.00 O ATOM 0 H GLU A 38 5.461 10.467 -3.364 1.00 10.00 H new ATOM 0 HA GLU A 38 3.904 12.674 -3.998 1.00 10.00 H new ATOM 0 HB2 GLU A 38 4.496 10.007 -5.342 1.00 10.00 H new ATOM 0 HB3 GLU A 38 3.402 11.141 -6.109 1.00 10.00 H new ATOM 0 HG2 GLU A 38 6.149 12.021 -5.119 1.00 10.00 H new ATOM 0 HG3 GLU A 38 5.943 11.313 -6.708 1.00 10.00 H new ATOM 374 N HIS A 39 2.086 9.995 -3.333 1.00 10.00 N ATOM 375 CA HIS A 39 0.705 9.569 -3.081 1.00 10.00 C ATOM 376 C HIS A 39 0.232 9.975 -1.676 1.00 10.00 C ATOM 377 O HIS A 39 -0.947 10.274 -1.474 1.00 10.00 O ATOM 378 CB HIS A 39 0.528 8.050 -3.357 1.00 10.00 C ATOM 379 CG HIS A 39 1.012 7.154 -2.230 1.00 10.00 C ATOM 380 ND1 HIS A 39 0.711 7.097 -0.889 1.00 10.00 N flip ATOM 381 CD2 HIS A 39 1.866 6.088 -2.464 1.00 10.00 C flip ATOM 382 CE1 HIS A 39 1.357 6.014 -0.305 1.00 10.00 C flip ATOM 383 NE2 HIS A 39 2.038 5.438 -1.298 1.00 10.00 N flip ATOM 0 H HIS A 39 2.796 9.289 -3.141 1.00 10.00 H new ATOM 0 HA HIS A 39 0.059 10.095 -3.783 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -0.527 7.846 -3.542 1.00 10.00 H new ATOM 0 HB3 HIS A 39 1.067 7.792 -4.269 1.00 10.00 H new ATOM 0 HD2 HIS A 39 2.313 5.826 -3.412 1.00 10.00 H new ATOM 0 HE1 HIS A 39 1.317 5.705 0.729 1.00 10.00 H new ATOM 0 HE2 HIS A 39 2.618 4.606 -1.187 1.00 10.00 H new ATOM 392 N LEU A 40 1.159 9.975 -0.715 1.00 10.00 N ATOM 393 CA LEU A 40 0.838 10.340 0.674 1.00 10.00 C ATOM 394 C LEU A 40 0.349 11.791 0.776 1.00 10.00 C ATOM 395 O LEU A 40 -0.455 12.119 1.650 1.00 10.00 O ATOM 396 CB LEU A 40 2.078 10.156 1.558 1.00 10.00 C ATOM 397 CG LEU A 40 1.679 10.195 3.034 1.00 10.00 C ATOM 398 CD1 LEU A 40 0.996 8.877 3.411 1.00 10.00 C ATOM 399 CD2 LEU A 40 2.933 10.390 3.898 1.00 10.00 C ATOM 0 H LEU A 40 2.137 9.728 -0.869 1.00 10.00 H new ATOM 0 HA LEU A 40 0.036 9.686 1.015 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.561 9.206 1.328 1.00 10.00 H new ATOM 0 HB3 LEU A 40 2.804 10.941 1.348 1.00 10.00 H new ATOM 0 HG LEU A 40 0.990 11.023 3.204 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.711 8.903 4.463 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.106 8.740 2.797 1.00 10.00 H new ATOM 0 HD13 LEU A 40 1.685 8.049 3.242 1.00 10.00 H new ATOM 0 HD21 LEU A 40 2.649 10.418 4.950 1.00 10.00 H new ATOM 0 HD22 LEU A 40 3.623 9.563 3.730 1.00 10.00 H new ATOM 0 HD23 LEU A 40 3.419 11.328 3.628 1.00 10.00 H new ATOM 411 N GLN A 41 0.845 12.647 -0.116 1.00 10.00 N ATOM 412 CA GLN A 41 0.466 14.063 -0.119 1.00 10.00 C ATOM 413 C GLN A 41 -1.016 14.242 -0.469 1.00 10.00 C ATOM 414 O GLN A 41 -1.696 15.090 0.117 1.00 10.00 O ATOM 415 CB GLN A 41 1.339 14.820 -1.129 1.00 10.00 C ATOM 416 CG GLN A 41 2.612 15.324 -0.439 1.00 10.00 C ATOM 417 CD GLN A 41 3.530 15.988 -1.456 1.00 10.00 C ATOM 418 OE1 GLN A 41 4.336 15.314 -2.100 1.00 10.00 O ATOM 419 NE2 GLN A 41 3.459 17.278 -1.638 1.00 10.00 N ATOM 0 H GLN A 41 1.509 12.388 -0.845 1.00 10.00 H new ATOM 0 HA GLN A 41 0.623 14.466 0.882 1.00 10.00 H new ATOM 0 HB2 GLN A 41 1.600 14.166 -1.961 1.00 10.00 H new ATOM 0 HB3 GLN A 41 0.784 15.660 -1.546 1.00 10.00 H new ATOM 0 HG2 GLN A 41 2.353 16.034 0.346 1.00 10.00 H new ATOM 0 HG3 GLN A 41 3.129 14.493 0.041 1.00 10.00 H new ATOM 0 HE21 GLN A 41 2.791 17.832 -1.103 1.00 10.00 H new ATOM 0 HE22 GLN A 41 4.072 17.732 -2.315 1.00 10.00 H new ATOM 428 N ARG A 42 -1.505 13.444 -1.420 1.00 10.00 N ATOM 429 CA ARG A 42 -2.910 13.525 -1.837 1.00 10.00 C ATOM 430 C ARG A 42 -3.826 12.806 -0.847 1.00 10.00 C ATOM 431 O ARG A 42 -4.980 13.197 -0.666 1.00 10.00 O ATOM 432 CB ARG A 42 -3.078 12.904 -3.223 1.00 10.00 C ATOM 433 CG ARG A 42 -2.442 13.822 -4.266 1.00 10.00 C ATOM 434 CD ARG A 42 -2.286 13.065 -5.584 1.00 10.00 C ATOM 435 NE ARG A 42 -1.464 13.840 -6.520 1.00 10.00 N ATOM 436 CZ ARG A 42 -1.900 14.967 -7.113 1.00 10.00 C ATOM 437 NH1 ARG A 42 -3.113 15.433 -6.918 1.00 10.00 N ATOM 438 NH2 ARG A 42 -1.099 15.609 -7.918 1.00 10.00 N ATOM 0 H ARG A 42 -0.956 12.740 -1.913 1.00 10.00 H new ATOM 0 HA ARG A 42 -3.190 14.578 -1.865 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -2.609 11.920 -3.253 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -4.136 12.760 -3.444 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -3.062 14.707 -4.414 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -1.470 14.169 -3.916 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -1.825 12.094 -5.402 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -3.266 12.875 -6.021 1.00 10.00 H new ATOM 0 HE ARG A 42 -0.522 13.511 -6.730 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -3.757 14.937 -6.301 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -3.411 16.290 -7.383 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -0.158 15.255 -8.090 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -1.414 16.465 -8.375 1.00 10.00 H new ATOM 452 N GLN A 43 -3.300 11.759 -0.208 1.00 10.00 N ATOM 453 CA GLN A 43 -4.069 10.995 0.767 1.00 10.00 C ATOM 454 C GLN A 43 -4.178 11.777 2.078 1.00 10.00 C ATOM 455 O GLN A 43 -5.217 11.753 2.739 1.00 10.00 O ATOM 456 CB GLN A 43 -3.386 9.648 1.018 1.00 10.00 C ATOM 457 CG GLN A 43 -4.409 8.627 1.527 1.00 10.00 C ATOM 458 CD GLN A 43 -5.104 7.936 0.355 1.00 10.00 C ATOM 459 OE1 GLN A 43 -4.519 7.776 -0.717 1.00 10.00 O ATOM 460 NE2 GLN A 43 -6.331 7.513 0.500 1.00 10.00 N ATOM 0 H GLN A 43 -2.347 11.424 -0.350 1.00 10.00 H new ATOM 0 HA GLN A 43 -5.072 10.823 0.376 1.00 10.00 H new ATOM 0 HB2 GLN A 43 -2.927 9.287 0.098 1.00 10.00 H new ATOM 0 HB3 GLN A 43 -2.585 9.768 1.748 1.00 10.00 H new ATOM 0 HG2 GLN A 43 -3.911 7.885 2.151 1.00 10.00 H new ATOM 0 HG3 GLN A 43 -5.149 9.126 2.153 1.00 10.00 H new ATOM 0 HE21 GLN A 43 -6.815 7.646 1.388 1.00 10.00 H new ATOM 0 HE22 GLN A 43 -6.806 7.050 -0.275 1.00 10.00 H new ATOM 469 N GLN A 44 -3.094 12.465 2.442 1.00 10.00 N ATOM 470 CA GLN A 44 -3.060 13.254 3.674 1.00 10.00 C ATOM 471 C GLN A 44 -3.890 14.531 3.529 1.00 10.00 C ATOM 472 O GLN A 44 -4.596 14.928 4.460 1.00 10.00 O ATOM 473 CB GLN A 44 -1.618 13.625 4.020 1.00 10.00 C ATOM 474 CG GLN A 44 -1.530 13.985 5.504 1.00 10.00 C ATOM 475 CD GLN A 44 -0.074 14.084 5.933 1.00 10.00 C ATOM 476 OE1 GLN A 44 0.374 13.330 6.798 1.00 10.00 O ATOM 477 NE2 GLN A 44 0.699 14.976 5.379 1.00 10.00 N ATOM 0 H GLN A 44 -2.229 12.492 1.902 1.00 10.00 H new ATOM 0 HA GLN A 44 -3.485 12.648 4.474 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -0.952 12.791 3.796 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -1.291 14.467 3.410 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -2.036 14.933 5.687 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -2.042 13.230 6.100 1.00 10.00 H new ATOM 0 HE21 GLN A 44 0.326 15.600 4.663 1.00 10.00 H new ATOM 0 HE22 GLN A 44 1.676 15.050 5.662 1.00 10.00 H new ATOM 486 N ASN A 45 -3.793 15.170 2.361 1.00 10.00 N ATOM 487 CA ASN A 45 -4.534 16.408 2.103 1.00 10.00 C ATOM 488 C ASN A 45 -6.040 16.144 2.065 1.00 10.00 C ATOM 489 O ASN A 45 -6.828 16.920 2.609 1.00 10.00 O ATOM 490 CB ASN A 45 -4.087 17.021 0.769 1.00 10.00 C ATOM 491 CG ASN A 45 -2.807 17.832 0.963 1.00 10.00 C ATOM 492 OD1 ASN A 45 -2.620 18.458 2.007 1.00 10.00 O ATOM 493 ND2 ASN A 45 -1.910 17.858 0.014 1.00 10.00 N ATOM 0 H ASN A 45 -3.213 14.854 1.584 1.00 10.00 H new ATOM 0 HA ASN A 45 -4.322 17.105 2.913 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -3.918 16.232 0.036 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -4.875 17.661 0.372 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.053 18.397 0.137 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.066 17.339 -0.850 1.00 10.00 H new ATOM 500 N SER A 46 -6.428 15.043 1.416 1.00 10.00 N ATOM 501 CA SER A 46 -7.840 14.680 1.307 1.00 10.00 C ATOM 502 C SER A 46 -8.367 14.135 2.632 1.00 10.00 C ATOM 503 O SER A 46 -9.258 14.732 3.243 1.00 10.00 O ATOM 504 CB SER A 46 -8.026 13.629 0.211 1.00 10.00 C ATOM 505 OG SER A 46 -9.368 13.673 -0.259 1.00 10.00 O ATOM 0 H SER A 46 -5.787 14.392 0.961 1.00 10.00 H new ATOM 0 HA SER A 46 -8.403 15.578 1.052 1.00 10.00 H new ATOM 0 HB2 SER A 46 -7.334 13.817 -0.610 1.00 10.00 H new ATOM 0 HB3 SER A 46 -7.797 12.637 0.600 1.00 10.00 H new ATOM 0 HG SER A 46 -9.490 13.002 -0.963 1.00 10.00 H new ATOM 512 N MET B 1 23.440 -0.066 9.458 1.00 10.00 N ATOM 513 CA MET B 1 23.698 -1.433 8.970 1.00 10.00 C ATOM 514 C MET B 1 24.979 -1.455 8.111 1.00 10.00 C ATOM 515 O MET B 1 25.309 -0.496 7.424 1.00 10.00 O ATOM 516 CB MET B 1 22.497 -1.926 8.146 1.00 10.00 C ATOM 517 CG MET B 1 22.299 -1.172 6.821 1.00 10.00 C ATOM 518 SD MET B 1 20.878 -1.747 5.830 1.00 10.00 S ATOM 519 CE MET B 1 21.261 -0.954 4.284 1.00 10.00 C ATOM 0 H1 MET B 1 22.566 -0.058 10.022 1.00 10.00 H new ATOM 0 H2 MET B 1 24.236 0.248 10.049 1.00 10.00 H new ATOM 0 H3 MET B 1 23.336 0.578 8.648 1.00 10.00 H new ATOM 0 HA MET B 1 23.839 -2.097 9.823 1.00 10.00 H new ATOM 0 HB2 MET B 1 22.626 -2.987 7.933 1.00 10.00 H new ATOM 0 HB3 MET B 1 21.593 -1.829 8.747 1.00 10.00 H new ATOM 0 HG2 MET B 1 22.170 -0.111 7.037 1.00 10.00 H new ATOM 0 HG3 MET B 1 23.206 -1.268 6.223 1.00 10.00 H new ATOM 0 HE1 MET B 1 20.492 -1.196 3.551 1.00 10.00 H new ATOM 0 HE2 MET B 1 21.298 0.126 4.428 1.00 10.00 H new ATOM 0 HE3 MET B 1 22.228 -1.305 3.925 1.00 10.00 H new ATOM 531 N GLN B 2 25.689 -2.583 8.179 1.00 10.00 N ATOM 532 CA GLN B 2 26.866 -2.741 7.325 1.00 10.00 C ATOM 533 C GLN B 2 26.488 -3.520 6.063 1.00 10.00 C ATOM 534 O GLN B 2 25.616 -4.382 6.071 1.00 10.00 O ATOM 535 CB GLN B 2 27.993 -3.434 8.086 1.00 10.00 C ATOM 536 CG GLN B 2 27.835 -4.959 8.191 1.00 10.00 C ATOM 537 CD GLN B 2 29.008 -5.642 8.896 1.00 10.00 C ATOM 538 OE1 GLN B 2 30.151 -4.995 8.922 1.00 10.00 O flip ATOM 539 NE2 GLN B 2 28.906 -6.756 9.376 1.00 10.00 N flip ATOM 0 H GLN B 2 25.481 -3.372 8.791 1.00 10.00 H new ATOM 0 HA GLN B 2 27.227 -1.756 7.028 1.00 10.00 H new ATOM 0 HB2 GLN B 2 28.940 -3.211 7.594 1.00 10.00 H new ATOM 0 HB3 GLN B 2 28.049 -3.015 9.091 1.00 10.00 H new ATOM 0 HG2 GLN B 2 26.915 -5.186 8.729 1.00 10.00 H new ATOM 0 HG3 GLN B 2 27.729 -5.376 7.190 1.00 10.00 H new ATOM 0 HE21 GLN B 2 28.011 -7.244 9.347 1.00 10.00 H new ATOM 0 HE22 GLN B 2 29.716 -7.202 9.807 1.00 10.00 H new ATOM 548 N ILE B 3 27.163 -3.131 4.984 1.00 10.00 N ATOM 549 CA ILE B 3 27.077 -3.869 3.719 1.00 10.00 C ATOM 550 C ILE B 3 28.511 -3.983 3.175 1.00 10.00 C ATOM 551 O ILE B 3 29.381 -3.185 3.514 1.00 10.00 O ATOM 552 CB ILE B 3 26.081 -3.257 2.698 1.00 10.00 C ATOM 553 CG1 ILE B 3 26.628 -2.094 1.850 1.00 10.00 C ATOM 554 CG2 ILE B 3 24.714 -2.931 3.322 1.00 10.00 C ATOM 555 CD1 ILE B 3 27.004 -0.823 2.607 1.00 10.00 C ATOM 0 H ILE B 3 27.773 -2.314 4.956 1.00 10.00 H new ATOM 0 HA ILE B 3 26.657 -4.859 3.898 1.00 10.00 H new ATOM 0 HB ILE B 3 25.929 -4.061 1.978 1.00 10.00 H new ATOM 0 HG12 ILE B 3 27.509 -2.446 1.314 1.00 10.00 H new ATOM 0 HG13 ILE B 3 25.880 -1.837 1.100 1.00 10.00 H new ATOM 0 HG21 ILE B 3 24.059 -2.506 2.562 1.00 10.00 H new ATOM 0 HG22 ILE B 3 24.267 -3.844 3.717 1.00 10.00 H new ATOM 0 HG23 ILE B 3 24.845 -2.212 4.131 1.00 10.00 H new ATOM 0 HD11 ILE B 3 27.376 -0.077 1.904 1.00 10.00 H new ATOM 0 HD12 ILE B 3 26.126 -0.432 3.120 1.00 10.00 H new ATOM 0 HD13 ILE B 3 27.780 -1.051 3.338 1.00 10.00 H new ATOM 567 N PHE B 4 28.689 -4.953 2.285 1.00 10.00 N ATOM 568 CA PHE B 4 30.020 -5.232 1.728 1.00 10.00 C ATOM 569 C PHE B 4 30.049 -4.878 0.241 1.00 10.00 C ATOM 570 O PHE B 4 29.056 -5.012 -0.462 1.00 10.00 O ATOM 571 CB PHE B 4 30.347 -6.715 1.933 1.00 10.00 C ATOM 572 CG PHE B 4 30.107 -7.143 3.383 1.00 10.00 C ATOM 573 CD1 PHE B 4 31.007 -6.786 4.379 1.00 10.00 C ATOM 574 CD2 PHE B 4 28.948 -7.837 3.703 1.00 10.00 C ATOM 575 CE1 PHE B 4 30.746 -7.135 5.697 1.00 10.00 C ATOM 576 CE2 PHE B 4 28.692 -8.191 5.020 1.00 10.00 C ATOM 577 CZ PHE B 4 29.591 -7.841 6.018 1.00 10.00 C ATOM 0 H PHE B 4 27.944 -5.555 1.934 1.00 10.00 H new ATOM 0 HA PHE B 4 30.768 -4.625 2.239 1.00 10.00 H new ATOM 0 HB2 PHE B 4 29.733 -7.320 1.267 1.00 10.00 H new ATOM 0 HB3 PHE B 4 31.387 -6.901 1.664 1.00 10.00 H new ATOM 0 HD1 PHE B 4 31.905 -6.240 4.129 1.00 10.00 H new ATOM 0 HD2 PHE B 4 28.245 -8.101 2.927 1.00 10.00 H new ATOM 0 HE1 PHE B 4 31.441 -6.858 6.475 1.00 10.00 H new ATOM 0 HE2 PHE B 4 27.795 -8.738 5.268 1.00 10.00 H new ATOM 0 HZ PHE B 4 29.394 -8.117 7.043 1.00 10.00 H new ATOM 587 N VAL B 5 31.162 -4.280 -0.164 1.00 10.00 N ATOM 588 CA VAL B 5 31.403 -3.904 -1.568 1.00 10.00 C ATOM 589 C VAL B 5 32.684 -4.612 -2.019 1.00 10.00 C ATOM 590 O VAL B 5 33.784 -4.263 -1.618 1.00 10.00 O ATOM 591 CB VAL B 5 31.520 -2.375 -1.742 1.00 10.00 C ATOM 592 CG1 VAL B 5 31.795 -1.990 -3.199 1.00 10.00 C ATOM 593 CG2 VAL B 5 30.243 -1.662 -1.288 1.00 10.00 C ATOM 0 H VAL B 5 31.928 -4.038 0.464 1.00 10.00 H new ATOM 0 HA VAL B 5 30.558 -4.212 -2.184 1.00 10.00 H new ATOM 0 HB VAL B 5 32.358 -2.061 -1.120 1.00 10.00 H new ATOM 0 HG11 VAL B 5 31.871 -0.906 -3.281 1.00 10.00 H new ATOM 0 HG12 VAL B 5 32.730 -2.445 -3.525 1.00 10.00 H new ATOM 0 HG13 VAL B 5 30.980 -2.345 -3.829 1.00 10.00 H new ATOM 0 HG21 VAL B 5 30.359 -0.587 -1.424 1.00 10.00 H new ATOM 0 HG22 VAL B 5 29.399 -2.014 -1.881 1.00 10.00 H new ATOM 0 HG23 VAL B 5 30.061 -1.877 -0.235 1.00 10.00 H new ATOM 603 N LYS B 6 32.464 -5.702 -2.754 1.00 10.00 N ATOM 604 CA LYS B 6 33.568 -6.479 -3.320 1.00 10.00 C ATOM 605 C LYS B 6 34.129 -5.779 -4.560 1.00 10.00 C ATOM 606 O LYS B 6 33.411 -5.351 -5.453 1.00 10.00 O ATOM 607 CB LYS B 6 33.038 -7.838 -3.753 1.00 10.00 C ATOM 608 CG LYS B 6 32.596 -8.724 -2.583 1.00 10.00 C ATOM 609 CD LYS B 6 31.987 -10.024 -3.118 1.00 10.00 C ATOM 610 CE LYS B 6 32.990 -10.805 -3.978 1.00 10.00 C ATOM 611 NZ LYS B 6 32.329 -11.879 -4.726 1.00 10.00 N ATOM 0 H LYS B 6 31.536 -6.066 -2.971 1.00 10.00 H new ATOM 0 HA LYS B 6 34.350 -6.580 -2.567 1.00 10.00 H new ATOM 0 HB2 LYS B 6 32.194 -7.692 -4.427 1.00 10.00 H new ATOM 0 HB3 LYS B 6 33.811 -8.357 -4.319 1.00 10.00 H new ATOM 0 HG2 LYS B 6 33.449 -8.948 -1.942 1.00 10.00 H new ATOM 0 HG3 LYS B 6 31.866 -8.195 -1.970 1.00 10.00 H new ATOM 0 HD2 LYS B 6 31.662 -10.645 -2.283 1.00 10.00 H new ATOM 0 HD3 LYS B 6 31.100 -9.795 -3.709 1.00 10.00 H new ATOM 0 HE2 LYS B 6 33.483 -10.125 -4.673 1.00 10.00 H new ATOM 0 HE3 LYS B 6 33.767 -11.228 -3.341 1.00 10.00 H new ATOM 0 HZ1 LYS B 6 33.045 -12.451 -5.217 1.00 10.00 H new ATOM 0 HZ2 LYS B 6 31.795 -12.482 -4.068 1.00 10.00 H new ATOM 0 HZ3 LYS B 6 31.678 -11.466 -5.424 1.00 10.00 H new ATOM 625 N THR B 7 35.463 -5.718 -4.580 1.00 10.00 N ATOM 626 CA THR B 7 36.177 -5.222 -5.762 1.00 10.00 C ATOM 627 C THR B 7 36.752 -6.442 -6.494 1.00 10.00 C ATOM 628 O THR B 7 36.874 -7.535 -5.944 1.00 10.00 O ATOM 629 CB THR B 7 37.296 -4.235 -5.389 1.00 10.00 C ATOM 630 OG1 THR B 7 38.331 -4.950 -4.726 1.00 10.00 O ATOM 631 CG2 THR B 7 36.807 -3.094 -4.490 1.00 10.00 C ATOM 0 H THR B 7 36.063 -6.001 -3.805 1.00 10.00 H new ATOM 0 HA THR B 7 35.487 -4.672 -6.402 1.00 10.00 H new ATOM 0 HB THR B 7 37.659 -3.780 -6.311 1.00 10.00 H new ATOM 0 HG1 THR B 7 39.115 -5.008 -5.311 1.00 10.00 H new ATOM 0 HG21 THR B 7 37.640 -2.430 -4.260 1.00 10.00 H new ATOM 0 HG22 THR B 7 36.027 -2.533 -5.005 1.00 10.00 H new ATOM 0 HG23 THR B 7 36.406 -3.507 -3.564 1.00 10.00 H new ATOM 639 N LEU B 8 37.174 -6.212 -7.733 1.00 10.00 N ATOM 640 CA LEU B 8 37.633 -7.299 -8.613 1.00 10.00 C ATOM 641 C LEU B 8 39.052 -7.804 -8.314 1.00 10.00 C ATOM 642 O LEU B 8 39.450 -8.874 -8.764 1.00 10.00 O ATOM 643 CB LEU B 8 37.430 -6.895 -10.075 1.00 10.00 C ATOM 644 CG LEU B 8 35.977 -6.463 -10.340 1.00 10.00 C ATOM 645 CD1 LEU B 8 35.805 -6.087 -11.809 1.00 10.00 C ATOM 646 CD2 LEU B 8 34.941 -7.520 -9.929 1.00 10.00 C ATOM 0 H LEU B 8 37.210 -5.285 -8.157 1.00 10.00 H new ATOM 0 HA LEU B 8 37.013 -8.170 -8.402 1.00 10.00 H new ATOM 0 HB2 LEU B 8 38.106 -6.078 -10.326 1.00 10.00 H new ATOM 0 HB3 LEU B 8 37.687 -7.732 -10.725 1.00 10.00 H new ATOM 0 HG LEU B 8 35.788 -5.593 -9.711 1.00 10.00 H new ATOM 0 HD11 LEU B 8 34.774 -5.782 -11.988 1.00 10.00 H new ATOM 0 HD12 LEU B 8 36.475 -5.263 -12.054 1.00 10.00 H new ATOM 0 HD13 LEU B 8 36.043 -6.947 -12.435 1.00 10.00 H new ATOM 0 HD21 LEU B 8 33.939 -7.150 -10.144 1.00 10.00 H new ATOM 0 HD22 LEU B 8 35.116 -8.438 -10.489 1.00 10.00 H new ATOM 0 HD23 LEU B 8 35.032 -7.723 -8.862 1.00 10.00 H new ATOM 658 N THR B 9 39.788 -6.995 -7.560 1.00 10.00 N ATOM 659 CA THR B 9 41.065 -7.420 -6.947 1.00 10.00 C ATOM 660 C THR B 9 40.838 -8.584 -5.972 1.00 10.00 C ATOM 661 O THR B 9 41.677 -9.478 -5.866 1.00 10.00 O ATOM 662 CB THR B 9 41.753 -6.263 -6.208 1.00 10.00 C ATOM 663 OG1 THR B 9 40.840 -5.630 -5.306 1.00 10.00 O ATOM 664 CG2 THR B 9 42.340 -5.243 -7.187 1.00 10.00 C ATOM 0 H THR B 9 39.529 -6.031 -7.351 1.00 10.00 H new ATOM 0 HA THR B 9 41.716 -7.747 -7.758 1.00 10.00 H new ATOM 0 HB THR B 9 42.579 -6.680 -5.632 1.00 10.00 H new ATOM 0 HG1 THR B 9 41.294 -4.896 -4.842 1.00 10.00 H new ATOM 0 HG21 THR B 9 42.819 -4.438 -6.630 1.00 10.00 H new ATOM 0 HG22 THR B 9 43.077 -5.732 -7.824 1.00 10.00 H new ATOM 0 HG23 THR B 9 41.542 -4.831 -7.805 1.00 10.00 H new ATOM 672 N GLY B 10 39.676 -8.557 -5.310 1.00 10.00 N ATOM 673 CA GLY B 10 39.283 -9.581 -4.325 1.00 10.00 C ATOM 674 C GLY B 10 38.994 -8.963 -2.952 1.00 10.00 C ATOM 675 O GLY B 10 38.276 -9.554 -2.145 1.00 10.00 O ATOM 0 H GLY B 10 38.978 -7.825 -5.440 1.00 10.00 H new ATOM 0 HA2 GLY B 10 38.398 -10.108 -4.681 1.00 10.00 H new ATOM 0 HA3 GLY B 10 40.078 -10.321 -4.231 1.00 10.00 H new ATOM 679 N LYS B 11 39.589 -7.802 -2.695 1.00 10.00 N ATOM 680 CA LYS B 11 39.369 -7.056 -1.438 1.00 10.00 C ATOM 681 C LYS B 11 37.875 -6.701 -1.304 1.00 10.00 C ATOM 682 O LYS B 11 37.171 -6.472 -2.286 1.00 10.00 O ATOM 683 CB LYS B 11 40.214 -5.780 -1.427 1.00 10.00 C ATOM 684 CG LYS B 11 40.365 -5.237 0.003 1.00 10.00 C ATOM 685 CD LYS B 11 40.120 -3.729 0.096 1.00 10.00 C ATOM 686 CE LYS B 11 41.195 -2.874 -0.581 1.00 10.00 C ATOM 687 NZ LYS B 11 42.462 -2.892 0.166 1.00 10.00 N ATOM 0 H LYS B 11 40.234 -7.346 -3.340 1.00 10.00 H new ATOM 0 HA LYS B 11 39.668 -7.679 -0.595 1.00 10.00 H new ATOM 0 HB2 LYS B 11 41.198 -5.987 -1.848 1.00 10.00 H new ATOM 0 HB3 LYS B 11 39.748 -5.025 -2.060 1.00 10.00 H new ATOM 0 HG2 LYS B 11 39.665 -5.755 0.659 1.00 10.00 H new ATOM 0 HG3 LYS B 11 41.368 -5.460 0.367 1.00 10.00 H new ATOM 0 HD2 LYS B 11 39.154 -3.501 -0.354 1.00 10.00 H new ATOM 0 HD3 LYS B 11 40.056 -3.447 1.147 1.00 10.00 H new ATOM 0 HE2 LYS B 11 41.365 -3.240 -1.593 1.00 10.00 H new ATOM 0 HE3 LYS B 11 40.840 -1.847 -0.669 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 43.158 -2.288 -0.316 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 42.302 -2.535 1.130 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 42.823 -3.866 0.213 1.00 10.00 H new ATOM 701 N THR B 12 37.438 -6.648 -0.048 1.00 10.00 N ATOM 702 CA THR B 12 36.047 -6.301 0.295 1.00 10.00 C ATOM 703 C THR B 12 36.059 -5.070 1.203 1.00 10.00 C ATOM 704 O THR B 12 36.681 -5.055 2.254 1.00 10.00 O ATOM 705 CB THR B 12 35.365 -7.487 0.999 1.00 10.00 C ATOM 706 OG1 THR B 12 35.329 -8.598 0.102 1.00 10.00 O ATOM 707 CG2 THR B 12 33.938 -7.176 1.467 1.00 10.00 C ATOM 0 H THR B 12 38.028 -6.842 0.761 1.00 10.00 H new ATOM 0 HA THR B 12 35.484 -6.078 -0.611 1.00 10.00 H new ATOM 0 HB THR B 12 35.951 -7.711 1.891 1.00 10.00 H new ATOM 0 HG1 THR B 12 34.898 -9.360 0.542 1.00 10.00 H new ATOM 0 HG21 THR B 12 33.516 -8.054 1.955 1.00 10.00 H new ATOM 0 HG22 THR B 12 33.959 -6.345 2.172 1.00 10.00 H new ATOM 0 HG23 THR B 12 33.324 -6.908 0.608 1.00 10.00 H new ATOM 715 N ILE B 13 35.243 -4.097 0.795 1.00 10.00 N ATOM 716 CA ILE B 13 35.043 -2.865 1.575 1.00 10.00 C ATOM 717 C ILE B 13 33.807 -3.094 2.456 1.00 10.00 C ATOM 718 O ILE B 13 32.766 -3.523 1.973 1.00 10.00 O ATOM 719 CB ILE B 13 34.766 -1.647 0.662 1.00 10.00 C ATOM 720 CG1 ILE B 13 35.486 -1.673 -0.700 1.00 10.00 C ATOM 721 CG2 ILE B 13 35.062 -0.341 1.415 1.00 10.00 C ATOM 722 CD1 ILE B 13 37.009 -1.856 -0.653 1.00 10.00 C ATOM 0 H ILE B 13 34.707 -4.134 -0.072 1.00 10.00 H new ATOM 0 HA ILE B 13 35.942 -2.654 2.154 1.00 10.00 H new ATOM 0 HB ILE B 13 33.706 -1.705 0.414 1.00 10.00 H new ATOM 0 HG12 ILE B 13 35.061 -2.480 -1.298 1.00 10.00 H new ATOM 0 HG13 ILE B 13 35.268 -0.741 -1.222 1.00 10.00 H new ATOM 0 HG21 ILE B 13 34.863 0.509 0.762 1.00 10.00 H new ATOM 0 HG22 ILE B 13 34.425 -0.277 2.297 1.00 10.00 H new ATOM 0 HG23 ILE B 13 36.108 -0.326 1.721 1.00 10.00 H new ATOM 0 HD11 ILE B 13 37.407 -1.859 -1.668 1.00 10.00 H new ATOM 0 HD12 ILE B 13 37.457 -1.037 -0.090 1.00 10.00 H new ATOM 0 HD13 ILE B 13 37.247 -2.802 -0.167 1.00 10.00 H new ATOM 734 N THR B 14 33.956 -2.774 3.739 1.00 10.00 N ATOM 735 CA THR B 14 32.807 -2.768 4.660 1.00 10.00 C ATOM 736 C THR B 14 32.400 -1.309 4.878 1.00 10.00 C ATOM 737 O THR B 14 33.223 -0.460 5.204 1.00 10.00 O ATOM 738 CB THR B 14 33.167 -3.430 5.999 1.00 10.00 C ATOM 739 OG1 THR B 14 33.562 -4.783 5.766 1.00 10.00 O ATOM 740 CG2 THR B 14 31.994 -3.411 6.981 1.00 10.00 C ATOM 0 H THR B 14 34.846 -2.518 4.167 1.00 10.00 H new ATOM 0 HA THR B 14 31.983 -3.339 4.232 1.00 10.00 H new ATOM 0 HB THR B 14 33.985 -2.861 6.442 1.00 10.00 H new ATOM 0 HG1 THR B 14 32.766 -5.335 5.617 1.00 10.00 H new ATOM 0 HG21 THR B 14 32.293 -3.889 7.914 1.00 10.00 H new ATOM 0 HG22 THR B 14 31.702 -2.380 7.179 1.00 10.00 H new ATOM 0 HG23 THR B 14 31.150 -3.951 6.551 1.00 10.00 H new ATOM 748 N LEU B 15 31.098 -1.080 4.723 1.00 10.00 N ATOM 749 CA LEU B 15 30.518 0.257 4.935 1.00 10.00 C ATOM 750 C LEU B 15 29.389 0.219 5.968 1.00 10.00 C ATOM 751 O LEU B 15 28.634 -0.741 6.037 1.00 10.00 O ATOM 752 CB LEU B 15 29.977 0.804 3.610 1.00 10.00 C ATOM 753 CG LEU B 15 31.042 0.947 2.518 1.00 10.00 C ATOM 754 CD1 LEU B 15 30.360 1.290 1.195 1.00 10.00 C ATOM 755 CD2 LEU B 15 32.059 2.035 2.874 1.00 10.00 C ATOM 0 H LEU B 15 30.422 -1.795 4.453 1.00 10.00 H new ATOM 0 HA LEU B 15 31.306 0.908 5.313 1.00 10.00 H new ATOM 0 HB2 LEU B 15 29.188 0.144 3.250 1.00 10.00 H new ATOM 0 HB3 LEU B 15 29.521 1.778 3.789 1.00 10.00 H new ATOM 0 HG LEU B 15 31.578 0.002 2.429 1.00 10.00 H new ATOM 0 HD11 LEU B 15 31.113 1.393 0.414 1.00 10.00 H new ATOM 0 HD12 LEU B 15 29.665 0.494 0.927 1.00 10.00 H new ATOM 0 HD13 LEU B 15 29.814 2.228 1.299 1.00 10.00 H new ATOM 0 HD21 LEU B 15 32.802 2.113 2.080 1.00 10.00 H new ATOM 0 HD22 LEU B 15 31.546 2.990 2.986 1.00 10.00 H new ATOM 0 HD23 LEU B 15 32.554 1.778 3.810 1.00 10.00 H new ATOM 767 N GLU B 16 29.333 1.298 6.749 1.00 10.00 N ATOM 768 CA GLU B 16 28.222 1.570 7.679 1.00 10.00 C ATOM 769 C GLU B 16 27.287 2.581 7.011 1.00 10.00 C ATOM 770 O GLU B 16 27.646 3.727 6.778 1.00 10.00 O ATOM 771 CB GLU B 16 28.777 2.139 8.992 1.00 10.00 C ATOM 772 CG GLU B 16 27.675 2.497 9.998 1.00 10.00 C ATOM 773 CD GLU B 16 26.806 1.298 10.394 1.00 10.00 C ATOM 774 OE1 GLU B 16 27.371 0.200 10.588 1.00 10.00 O ATOM 775 OE2 GLU B 16 25.582 1.514 10.508 1.00 10.00 O ATOM 0 H GLU B 16 30.058 2.015 6.759 1.00 10.00 H new ATOM 0 HA GLU B 16 27.677 0.654 7.908 1.00 10.00 H new ATOM 0 HB2 GLU B 16 29.451 1.410 9.442 1.00 10.00 H new ATOM 0 HB3 GLU B 16 29.368 3.029 8.776 1.00 10.00 H new ATOM 0 HG2 GLU B 16 28.132 2.918 10.894 1.00 10.00 H new ATOM 0 HG3 GLU B 16 27.040 3.273 9.570 1.00 10.00 H new ATOM 782 N VAL B 17 26.104 2.075 6.648 1.00 10.00 N ATOM 783 CA VAL B 17 25.123 2.860 5.887 1.00 10.00 C ATOM 784 C VAL B 17 23.718 2.785 6.512 1.00 10.00 C ATOM 785 O VAL B 17 23.449 2.050 7.452 1.00 10.00 O ATOM 786 CB VAL B 17 25.084 2.396 4.415 1.00 10.00 C ATOM 787 CG1 VAL B 17 26.437 2.560 3.717 1.00 10.00 C ATOM 788 CG2 VAL B 17 24.557 0.964 4.287 1.00 10.00 C ATOM 0 H VAL B 17 25.801 1.126 6.868 1.00 10.00 H new ATOM 0 HA VAL B 17 25.441 3.902 5.922 1.00 10.00 H new ATOM 0 HB VAL B 17 24.382 3.052 3.900 1.00 10.00 H new ATOM 0 HG11 VAL B 17 26.357 2.220 2.684 1.00 10.00 H new ATOM 0 HG12 VAL B 17 26.729 3.610 3.732 1.00 10.00 H new ATOM 0 HG13 VAL B 17 27.189 1.967 4.237 1.00 10.00 H new ATOM 0 HG21 VAL B 17 24.544 0.673 3.237 1.00 10.00 H new ATOM 0 HG22 VAL B 17 25.205 0.287 4.843 1.00 10.00 H new ATOM 0 HG23 VAL B 17 23.546 0.911 4.690 1.00 10.00 H new ATOM 798 N GLU B 18 22.825 3.538 5.891 1.00 10.00 N ATOM 799 CA GLU B 18 21.375 3.487 6.127 1.00 10.00 C ATOM 800 C GLU B 18 20.688 3.164 4.796 1.00 10.00 C ATOM 801 O GLU B 18 21.151 3.599 3.746 1.00 10.00 O ATOM 802 CB GLU B 18 20.899 4.849 6.649 1.00 10.00 C ATOM 803 CG GLU B 18 21.518 5.210 8.008 1.00 10.00 C ATOM 804 CD GLU B 18 21.252 4.181 9.119 1.00 10.00 C ATOM 805 OE1 GLU B 18 20.240 3.452 9.016 1.00 10.00 O ATOM 806 OE2 GLU B 18 22.067 4.161 10.065 1.00 10.00 O ATOM 0 H GLU B 18 23.088 4.226 5.185 1.00 10.00 H new ATOM 0 HA GLU B 18 21.131 2.724 6.866 1.00 10.00 H new ATOM 0 HB2 GLU B 18 21.152 5.621 5.922 1.00 10.00 H new ATOM 0 HB3 GLU B 18 19.813 4.840 6.740 1.00 10.00 H new ATOM 0 HG2 GLU B 18 22.595 5.323 7.885 1.00 10.00 H new ATOM 0 HG3 GLU B 18 21.130 6.178 8.325 1.00 10.00 H new ATOM 813 N SER B 19 19.509 2.537 4.878 1.00 10.00 N ATOM 814 CA SER B 19 18.691 2.244 3.678 1.00 10.00 C ATOM 815 C SER B 19 18.234 3.519 2.950 1.00 10.00 C ATOM 816 O SER B 19 18.060 3.530 1.733 1.00 10.00 O ATOM 817 CB SER B 19 17.443 1.437 4.037 1.00 10.00 C ATOM 818 OG SER B 19 17.826 0.187 4.612 1.00 10.00 O ATOM 0 H SER B 19 19.095 2.221 5.755 1.00 10.00 H new ATOM 0 HA SER B 19 19.339 1.668 3.018 1.00 10.00 H new ATOM 0 HB2 SER B 19 16.826 1.997 4.739 1.00 10.00 H new ATOM 0 HB3 SER B 19 16.839 1.268 3.146 1.00 10.00 H new ATOM 0 HG SER B 19 17.024 -0.327 4.842 1.00 10.00 H new ATOM 824 N SER B 20 18.120 4.597 3.726 1.00 10.00 N ATOM 825 CA SER B 20 17.767 5.941 3.233 1.00 10.00 C ATOM 826 C SER B 20 18.868 6.646 2.423 1.00 10.00 C ATOM 827 O SER B 20 18.591 7.643 1.759 1.00 10.00 O ATOM 828 CB SER B 20 17.320 6.833 4.394 1.00 10.00 C ATOM 829 OG SER B 20 18.301 6.822 5.440 1.00 10.00 O ATOM 0 H SER B 20 18.272 4.567 4.734 1.00 10.00 H new ATOM 0 HA SER B 20 16.947 5.781 2.533 1.00 10.00 H new ATOM 0 HB2 SER B 20 17.168 7.853 4.040 1.00 10.00 H new ATOM 0 HB3 SER B 20 16.363 6.484 4.781 1.00 10.00 H new ATOM 0 HG SER B 20 18.002 7.398 6.175 1.00 10.00 H new ATOM 835 N ASP B 21 20.086 6.109 2.446 1.00 10.00 N ATOM 836 CA ASP B 21 21.203 6.693 1.674 1.00 10.00 C ATOM 837 C ASP B 21 20.944 6.610 0.174 1.00 10.00 C ATOM 838 O ASP B 21 20.561 5.572 -0.355 1.00 10.00 O ATOM 839 CB ASP B 21 22.528 6.000 1.996 1.00 10.00 C ATOM 840 CG ASP B 21 23.018 6.298 3.418 1.00 10.00 C ATOM 841 OD1 ASP B 21 22.599 7.324 3.996 1.00 10.00 O ATOM 842 OD2 ASP B 21 23.887 5.529 3.870 1.00 10.00 O ATOM 0 H ASP B 21 20.333 5.278 2.983 1.00 10.00 H new ATOM 0 HA ASP B 21 21.272 7.741 1.966 1.00 10.00 H new ATOM 0 HB2 ASP B 21 22.410 4.923 1.874 1.00 10.00 H new ATOM 0 HB3 ASP B 21 23.285 6.320 1.280 1.00 10.00 H new ATOM 847 N THR B 22 21.148 7.764 -0.468 1.00 10.00 N ATOM 848 CA THR B 22 21.087 7.858 -1.936 1.00 10.00 C ATOM 849 C THR B 22 22.304 7.114 -2.510 1.00 10.00 C ATOM 850 O THR B 22 23.347 7.015 -1.879 1.00 10.00 O ATOM 851 CB THR B 22 21.092 9.319 -2.420 1.00 10.00 C ATOM 852 OG1 THR B 22 22.349 9.933 -2.120 1.00 10.00 O ATOM 853 CG2 THR B 22 19.927 10.120 -1.824 1.00 10.00 C ATOM 0 H THR B 22 21.356 8.646 0.001 1.00 10.00 H new ATOM 0 HA THR B 22 20.155 7.410 -2.281 1.00 10.00 H new ATOM 0 HB THR B 22 20.955 9.317 -3.501 1.00 10.00 H new ATOM 0 HG1 THR B 22 22.343 10.862 -2.433 1.00 10.00 H new ATOM 0 HG21 THR B 22 19.966 11.146 -2.190 1.00 10.00 H new ATOM 0 HG22 THR B 22 18.982 9.664 -2.121 1.00 10.00 H new ATOM 0 HG23 THR B 22 20.004 10.120 -0.737 1.00 10.00 H new ATOM 861 N ILE B 23 22.152 6.628 -3.745 1.00 10.00 N ATOM 862 CA ILE B 23 23.260 5.956 -4.457 1.00 10.00 C ATOM 863 C ILE B 23 24.470 6.888 -4.617 1.00 10.00 C ATOM 864 O ILE B 23 25.607 6.493 -4.350 1.00 10.00 O ATOM 865 CB ILE B 23 22.768 5.425 -5.819 1.00 10.00 C ATOM 866 CG1 ILE B 23 21.636 4.400 -5.636 1.00 10.00 C ATOM 867 CG2 ILE B 23 23.892 4.871 -6.707 1.00 10.00 C ATOM 868 CD1 ILE B 23 21.975 3.189 -4.755 1.00 10.00 C ATOM 0 H ILE B 23 21.282 6.683 -4.275 1.00 10.00 H new ATOM 0 HA ILE B 23 23.592 5.107 -3.859 1.00 10.00 H new ATOM 0 HB ILE B 23 22.370 6.287 -6.354 1.00 10.00 H new ATOM 0 HG12 ILE B 23 20.774 4.910 -5.206 1.00 10.00 H new ATOM 0 HG13 ILE B 23 21.335 4.039 -6.619 1.00 10.00 H new ATOM 0 HG21 ILE B 23 23.471 4.516 -7.648 1.00 10.00 H new ATOM 0 HG22 ILE B 23 24.618 5.659 -6.909 1.00 10.00 H new ATOM 0 HG23 ILE B 23 24.386 4.045 -6.196 1.00 10.00 H new ATOM 0 HD11 ILE B 23 21.109 2.531 -4.693 1.00 10.00 H new ATOM 0 HD12 ILE B 23 22.813 2.645 -5.191 1.00 10.00 H new ATOM 0 HD13 ILE B 23 22.244 3.530 -3.755 1.00 10.00 H new ATOM 880 N ASP B 24 24.171 8.150 -4.908 1.00 10.00 N ATOM 881 CA ASP B 24 25.197 9.205 -5.005 1.00 10.00 C ATOM 882 C ASP B 24 25.985 9.343 -3.690 1.00 10.00 C ATOM 883 O ASP B 24 27.209 9.453 -3.704 1.00 10.00 O ATOM 884 CB ASP B 24 24.522 10.533 -5.370 1.00 10.00 C ATOM 885 CG ASP B 24 25.543 11.669 -5.479 1.00 10.00 C ATOM 886 OD1 ASP B 24 26.419 11.561 -6.361 1.00 10.00 O ATOM 887 OD2 ASP B 24 25.421 12.596 -4.654 1.00 10.00 O ATOM 0 H ASP B 24 23.221 8.478 -5.084 1.00 10.00 H new ATOM 0 HA ASP B 24 25.909 8.931 -5.784 1.00 10.00 H new ATOM 0 HB2 ASP B 24 23.993 10.425 -6.317 1.00 10.00 H new ATOM 0 HB3 ASP B 24 23.777 10.783 -4.615 1.00 10.00 H new ATOM 892 N ASN B 25 25.258 9.255 -2.578 1.00 10.00 N ATOM 893 CA ASN B 25 25.838 9.307 -1.225 1.00 10.00 C ATOM 894 C ASN B 25 26.768 8.111 -0.952 1.00 10.00 C ATOM 895 O ASN B 25 27.845 8.280 -0.385 1.00 10.00 O ATOM 896 CB ASN B 25 24.697 9.346 -0.209 1.00 10.00 C ATOM 897 CG ASN B 25 25.186 9.321 1.231 1.00 10.00 C ATOM 898 OD1 ASN B 25 24.677 8.370 1.966 1.00 10.00 O flip ATOM 899 ND2 ASN B 25 26.013 10.109 1.673 1.00 10.00 N flip ATOM 0 H ASN B 25 24.244 9.145 -2.583 1.00 10.00 H new ATOM 0 HA ASN B 25 26.450 10.205 -1.138 1.00 10.00 H new ATOM 0 HB2 ASN B 25 24.104 10.246 -0.370 1.00 10.00 H new ATOM 0 HB3 ASN B 25 24.037 8.495 -0.378 1.00 10.00 H new ATOM 0 HD21 ASN B 25 26.392 10.841 1.072 1.00 10.00 H new ATOM 0 HD22 ASN B 25 26.323 10.033 2.642 1.00 10.00 H new ATOM 906 N VAL B 26 26.369 6.934 -1.432 1.00 10.00 N ATOM 907 CA VAL B 26 27.190 5.706 -1.339 1.00 10.00 C ATOM 908 C VAL B 26 28.498 5.868 -2.129 1.00 10.00 C ATOM 909 O VAL B 26 29.578 5.599 -1.613 1.00 10.00 O ATOM 910 CB VAL B 26 26.395 4.478 -1.825 1.00 10.00 C ATOM 911 CG1 VAL B 26 27.251 3.206 -1.934 1.00 10.00 C ATOM 912 CG2 VAL B 26 25.243 4.186 -0.863 1.00 10.00 C ATOM 0 H VAL B 26 25.472 6.795 -1.897 1.00 10.00 H new ATOM 0 HA VAL B 26 27.447 5.544 -0.292 1.00 10.00 H new ATOM 0 HB VAL B 26 26.031 4.731 -2.821 1.00 10.00 H new ATOM 0 HG11 VAL B 26 26.631 2.379 -2.281 1.00 10.00 H new ATOM 0 HG12 VAL B 26 28.063 3.373 -2.642 1.00 10.00 H new ATOM 0 HG13 VAL B 26 27.667 2.962 -0.956 1.00 10.00 H new ATOM 0 HG21 VAL B 26 24.687 3.317 -1.214 1.00 10.00 H new ATOM 0 HG22 VAL B 26 25.642 3.984 0.131 1.00 10.00 H new ATOM 0 HG23 VAL B 26 24.578 5.049 -0.819 1.00 10.00 H new ATOM 922 N LYS B 27 28.377 6.323 -3.375 1.00 10.00 N ATOM 923 CA LYS B 27 29.537 6.533 -4.261 1.00 10.00 C ATOM 924 C LYS B 27 30.550 7.524 -3.667 1.00 10.00 C ATOM 925 O LYS B 27 31.758 7.298 -3.726 1.00 10.00 O ATOM 926 CB LYS B 27 29.076 7.024 -5.634 1.00 10.00 C ATOM 927 CG LYS B 27 28.289 5.941 -6.369 1.00 10.00 C ATOM 928 CD LYS B 27 27.844 6.435 -7.742 1.00 10.00 C ATOM 929 CE LYS B 27 27.114 5.319 -8.488 1.00 10.00 C ATOM 930 NZ LYS B 27 26.638 5.788 -9.793 1.00 10.00 N ATOM 0 H LYS B 27 27.481 6.557 -3.803 1.00 10.00 H new ATOM 0 HA LYS B 27 30.038 5.571 -4.366 1.00 10.00 H new ATOM 0 HB2 LYS B 27 28.456 7.912 -5.517 1.00 10.00 H new ATOM 0 HB3 LYS B 27 29.941 7.316 -6.229 1.00 10.00 H new ATOM 0 HG2 LYS B 27 28.905 5.049 -6.480 1.00 10.00 H new ATOM 0 HG3 LYS B 27 27.418 5.655 -5.780 1.00 10.00 H new ATOM 0 HD2 LYS B 27 27.189 7.299 -7.632 1.00 10.00 H new ATOM 0 HD3 LYS B 27 28.710 6.763 -8.318 1.00 10.00 H new ATOM 0 HE2 LYS B 27 27.783 4.469 -8.624 1.00 10.00 H new ATOM 0 HE3 LYS B 27 26.271 4.969 -7.893 1.00 10.00 H new ATOM 0 HZ1 LYS B 27 25.755 5.296 -10.038 1.00 10.00 H new ATOM 0 HZ2 LYS B 27 26.464 6.812 -9.751 1.00 10.00 H new ATOM 0 HZ3 LYS B 27 27.357 5.588 -10.517 1.00 10.00 H new ATOM 944 N SER B 28 30.017 8.535 -2.980 1.00 10.00 N ATOM 945 CA SER B 28 30.819 9.496 -2.195 1.00 10.00 C ATOM 946 C SER B 28 31.551 8.820 -1.019 1.00 10.00 C ATOM 947 O SER B 28 32.749 9.013 -0.827 1.00 10.00 O ATOM 948 CB SER B 28 29.929 10.623 -1.667 1.00 10.00 C ATOM 949 OG SER B 28 30.749 11.591 -1.013 1.00 10.00 O ATOM 0 H SER B 28 29.014 8.718 -2.947 1.00 10.00 H new ATOM 0 HA SER B 28 31.574 9.906 -2.866 1.00 10.00 H new ATOM 0 HB2 SER B 28 29.380 11.086 -2.487 1.00 10.00 H new ATOM 0 HB3 SER B 28 29.189 10.225 -0.973 1.00 10.00 H new ATOM 0 HG SER B 28 30.188 12.319 -0.672 1.00 10.00 H new ATOM 955 N LYS B 29 30.867 7.869 -0.376 1.00 10.00 N ATOM 956 CA LYS B 29 31.460 7.022 0.682 1.00 10.00 C ATOM 957 C LYS B 29 32.591 6.125 0.142 1.00 10.00 C ATOM 958 O LYS B 29 33.595 5.914 0.817 1.00 10.00 O ATOM 959 CB LYS B 29 30.410 6.125 1.347 1.00 10.00 C ATOM 960 CG LYS B 29 29.360 6.904 2.141 1.00 10.00 C ATOM 961 CD LYS B 29 28.353 5.925 2.747 1.00 10.00 C ATOM 962 CE LYS B 29 27.223 6.623 3.506 1.00 10.00 C ATOM 963 NZ LYS B 29 27.685 7.263 4.747 1.00 10.00 N ATOM 0 H LYS B 29 29.888 7.659 -0.568 1.00 10.00 H new ATOM 0 HA LYS B 29 31.870 7.714 1.417 1.00 10.00 H new ATOM 0 HB2 LYS B 29 29.910 5.534 0.580 1.00 10.00 H new ATOM 0 HB3 LYS B 29 30.912 5.423 2.013 1.00 10.00 H new ATOM 0 HG2 LYS B 29 29.840 7.484 2.929 1.00 10.00 H new ATOM 0 HG3 LYS B 29 28.848 7.613 1.490 1.00 10.00 H new ATOM 0 HD2 LYS B 29 27.926 5.313 1.952 1.00 10.00 H new ATOM 0 HD3 LYS B 29 28.875 5.249 3.424 1.00 10.00 H new ATOM 0 HE2 LYS B 29 26.768 7.375 2.861 1.00 10.00 H new ATOM 0 HE3 LYS B 29 26.447 5.896 3.744 1.00 10.00 H new ATOM 0 HZ1 LYS B 29 26.881 7.721 5.222 1.00 10.00 H new ATOM 0 HZ2 LYS B 29 28.095 6.544 5.377 1.00 10.00 H new ATOM 0 HZ3 LYS B 29 28.406 7.978 4.521 1.00 10.00 H new ATOM 977 N ILE B 30 32.449 5.686 -1.110 1.00 10.00 N ATOM 978 CA ILE B 30 33.485 4.909 -1.830 1.00 10.00 C ATOM 979 C ILE B 30 34.707 5.796 -2.113 1.00 10.00 C ATOM 980 O ILE B 30 35.846 5.370 -1.942 1.00 10.00 O ATOM 981 CB ILE B 30 32.919 4.278 -3.119 1.00 10.00 C ATOM 982 CG1 ILE B 30 31.898 3.193 -2.743 1.00 10.00 C ATOM 983 CG2 ILE B 30 34.023 3.723 -4.046 1.00 10.00 C ATOM 984 CD1 ILE B 30 31.134 2.577 -3.924 1.00 10.00 C ATOM 0 H ILE B 30 31.610 5.856 -1.665 1.00 10.00 H new ATOM 0 HA ILE B 30 33.807 4.084 -1.194 1.00 10.00 H new ATOM 0 HB ILE B 30 32.422 5.061 -3.692 1.00 10.00 H new ATOM 0 HG12 ILE B 30 32.418 2.396 -2.212 1.00 10.00 H new ATOM 0 HG13 ILE B 30 31.176 3.621 -2.048 1.00 10.00 H new ATOM 0 HG21 ILE B 30 33.567 3.291 -4.937 1.00 10.00 H new ATOM 0 HG22 ILE B 30 34.694 4.531 -4.337 1.00 10.00 H new ATOM 0 HG23 ILE B 30 34.588 2.954 -3.519 1.00 10.00 H new ATOM 0 HD11 ILE B 30 30.439 1.823 -3.554 1.00 10.00 H new ATOM 0 HD12 ILE B 30 30.579 3.357 -4.445 1.00 10.00 H new ATOM 0 HD13 ILE B 30 31.841 2.113 -4.612 1.00 10.00 H new ATOM 996 N GLN B 31 34.441 7.016 -2.577 1.00 10.00 N ATOM 997 CA GLN B 31 35.493 8.019 -2.805 1.00 10.00 C ATOM 998 C GLN B 31 36.257 8.314 -1.505 1.00 10.00 C ATOM 999 O GLN B 31 37.485 8.374 -1.517 1.00 10.00 O ATOM 1000 CB GLN B 31 34.847 9.294 -3.341 1.00 10.00 C ATOM 1001 CG GLN B 31 35.898 10.350 -3.689 1.00 10.00 C ATOM 1002 CD GLN B 31 35.264 11.636 -4.208 1.00 10.00 C ATOM 1003 OE1 GLN B 31 34.154 12.033 -3.875 1.00 10.00 O ATOM 1004 NE2 GLN B 31 35.972 12.292 -5.094 1.00 10.00 N ATOM 0 H GLN B 31 33.501 7.340 -2.805 1.00 10.00 H new ATOM 0 HA GLN B 31 36.209 7.633 -3.531 1.00 10.00 H new ATOM 0 HB2 GLN B 31 34.257 9.060 -4.227 1.00 10.00 H new ATOM 0 HB3 GLN B 31 34.159 9.695 -2.597 1.00 10.00 H new ATOM 0 HG2 GLN B 31 36.496 10.572 -2.805 1.00 10.00 H new ATOM 0 HG3 GLN B 31 36.578 9.951 -4.442 1.00 10.00 H new ATOM 0 HE21 GLN B 31 36.895 11.951 -5.363 1.00 10.00 H new ATOM 0 HE22 GLN B 31 35.600 13.144 -5.515 1.00 10.00 H new ATOM 1013 N ASP B 32 35.524 8.306 -0.397 1.00 10.00 N ATOM 1014 CA ASP B 32 36.095 8.503 0.947 1.00 10.00 C ATOM 1015 C ASP B 32 37.013 7.375 1.432 1.00 10.00 C ATOM 1016 O ASP B 32 37.879 7.619 2.273 1.00 10.00 O ATOM 1017 CB ASP B 32 34.989 8.796 1.964 1.00 10.00 C ATOM 1018 CG ASP B 32 34.428 10.214 1.802 1.00 10.00 C ATOM 1019 OD1 ASP B 32 35.214 11.119 1.445 1.00 10.00 O ATOM 1020 OD2 ASP B 32 33.219 10.367 2.084 1.00 10.00 O ATOM 0 H ASP B 32 34.514 8.163 -0.397 1.00 10.00 H new ATOM 0 HA ASP B 32 36.749 9.371 0.859 1.00 10.00 H new ATOM 0 HB2 ASP B 32 34.184 8.071 1.845 1.00 10.00 H new ATOM 0 HB3 ASP B 32 35.382 8.673 2.973 1.00 10.00 H new ATOM 1025 N LYS B 33 36.824 6.167 0.904 1.00 10.00 N ATOM 1026 CA LYS B 33 37.688 5.028 1.259 1.00 10.00 C ATOM 1027 C LYS B 33 38.752 4.683 0.210 1.00 10.00 C ATOM 1028 O LYS B 33 39.894 4.398 0.547 1.00 10.00 O ATOM 1029 CB LYS B 33 36.869 3.770 1.559 1.00 10.00 C ATOM 1030 CG LYS B 33 36.146 3.854 2.909 1.00 10.00 C ATOM 1031 CD LYS B 33 35.790 2.462 3.443 1.00 10.00 C ATOM 1032 CE LYS B 33 37.050 1.671 3.817 1.00 10.00 C ATOM 1033 NZ LYS B 33 36.737 0.340 4.352 1.00 10.00 N ATOM 0 H LYS B 33 36.088 5.946 0.233 1.00 10.00 H new ATOM 0 HA LYS B 33 38.213 5.364 2.153 1.00 10.00 H new ATOM 0 HB2 LYS B 33 36.137 3.618 0.766 1.00 10.00 H new ATOM 0 HB3 LYS B 33 37.527 2.901 1.555 1.00 10.00 H new ATOM 0 HG2 LYS B 33 36.779 4.371 3.630 1.00 10.00 H new ATOM 0 HG3 LYS B 33 35.238 4.446 2.800 1.00 10.00 H new ATOM 0 HD2 LYS B 33 35.146 2.559 4.317 1.00 10.00 H new ATOM 0 HD3 LYS B 33 35.224 1.914 2.689 1.00 10.00 H new ATOM 0 HE2 LYS B 33 37.684 1.566 2.937 1.00 10.00 H new ATOM 0 HE3 LYS B 33 37.622 2.232 4.557 1.00 10.00 H new ATOM 0 HZ1 LYS B 33 37.225 0.208 5.261 1.00 10.00 H new ATOM 0 HZ2 LYS B 33 35.710 0.256 4.494 1.00 10.00 H new ATOM 0 HZ3 LYS B 33 37.054 -0.388 3.680 1.00 10.00 H new ATOM 1047 N GLU B 34 38.375 4.779 -1.061 1.00 10.00 N ATOM 1048 CA GLU B 34 39.240 4.336 -2.171 1.00 10.00 C ATOM 1049 C GLU B 34 39.912 5.473 -2.944 1.00 10.00 C ATOM 1050 O GLU B 34 40.981 5.275 -3.524 1.00 10.00 O ATOM 1051 CB GLU B 34 38.430 3.447 -3.118 1.00 10.00 C ATOM 1052 CG GLU B 34 38.065 2.110 -2.466 1.00 10.00 C ATOM 1053 CD GLU B 34 39.289 1.274 -2.066 1.00 10.00 C ATOM 1054 OE1 GLU B 34 40.271 1.270 -2.842 1.00 10.00 O ATOM 1055 OE2 GLU B 34 39.182 0.591 -1.024 1.00 10.00 O ATOM 0 H GLU B 34 37.476 5.159 -1.358 1.00 10.00 H new ATOM 0 HA GLU B 34 40.059 3.776 -1.721 1.00 10.00 H new ATOM 0 HB2 GLU B 34 37.520 3.967 -3.416 1.00 10.00 H new ATOM 0 HB3 GLU B 34 39.004 3.264 -4.026 1.00 10.00 H new ATOM 0 HG2 GLU B 34 37.458 2.299 -1.581 1.00 10.00 H new ATOM 0 HG3 GLU B 34 37.450 1.533 -3.157 1.00 10.00 H new ATOM 1062 N GLY B 35 39.229 6.620 -3.004 1.00 10.00 N ATOM 1063 CA GLY B 35 39.698 7.788 -3.773 1.00 10.00 C ATOM 1064 C GLY B 35 39.116 7.828 -5.197 1.00 10.00 C ATOM 1065 O GLY B 35 39.403 8.737 -5.966 1.00 10.00 O ATOM 0 H GLY B 35 38.341 6.770 -2.526 1.00 10.00 H new ATOM 0 HA2 GLY B 35 39.422 8.701 -3.245 1.00 10.00 H new ATOM 0 HA3 GLY B 35 40.786 7.769 -3.829 1.00 10.00 H new ATOM 1069 N ILE B 36 38.254 6.855 -5.495 1.00 10.00 N ATOM 1070 CA ILE B 36 37.585 6.731 -6.805 1.00 10.00 C ATOM 1071 C ILE B 36 36.552 7.860 -6.960 1.00 10.00 C ATOM 1072 O ILE B 36 35.611 7.947 -6.169 1.00 10.00 O ATOM 1073 CB ILE B 36 36.935 5.345 -6.997 1.00 10.00 C ATOM 1074 CG1 ILE B 36 37.979 4.232 -6.794 1.00 10.00 C ATOM 1075 CG2 ILE B 36 36.311 5.238 -8.402 1.00 10.00 C ATOM 1076 CD1 ILE B 36 37.392 2.814 -6.747 1.00 10.00 C ATOM 0 H ILE B 36 37.994 6.122 -4.835 1.00 10.00 H new ATOM 0 HA ILE B 36 38.339 6.826 -7.586 1.00 10.00 H new ATOM 0 HB ILE B 36 36.147 5.225 -6.253 1.00 10.00 H new ATOM 0 HG12 ILE B 36 38.709 4.283 -7.602 1.00 10.00 H new ATOM 0 HG13 ILE B 36 38.517 4.420 -5.865 1.00 10.00 H new ATOM 0 HG21 ILE B 36 35.856 4.255 -8.524 1.00 10.00 H new ATOM 0 HG22 ILE B 36 35.549 6.008 -8.521 1.00 10.00 H new ATOM 0 HG23 ILE B 36 37.086 5.375 -9.156 1.00 10.00 H new ATOM 0 HD11 ILE B 36 38.196 2.092 -6.601 1.00 10.00 H new ATOM 0 HD12 ILE B 36 36.684 2.740 -5.921 1.00 10.00 H new ATOM 0 HD13 ILE B 36 36.879 2.601 -7.685 1.00 10.00 H new ATOM 1088 N PRO B 37 36.670 8.625 -8.059 1.00 10.00 N ATOM 1089 CA PRO B 37 35.687 9.658 -8.428 1.00 10.00 C ATOM 1090 C PRO B 37 34.296 9.026 -8.621 1.00 10.00 C ATOM 1091 O PRO B 37 34.161 8.050 -9.359 1.00 10.00 O ATOM 1092 CB PRO B 37 36.208 10.237 -9.741 1.00 10.00 C ATOM 1093 CG PRO B 37 37.718 10.056 -9.620 1.00 10.00 C ATOM 1094 CD PRO B 37 37.849 8.695 -8.941 1.00 10.00 C ATOM 0 HA PRO B 37 35.577 10.424 -7.660 1.00 10.00 H new ATOM 0 HB2 PRO B 37 35.806 9.706 -10.604 1.00 10.00 H new ATOM 0 HB3 PRO B 37 35.935 11.286 -9.856 1.00 10.00 H new ATOM 0 HG2 PRO B 37 38.205 10.069 -10.595 1.00 10.00 H new ATOM 0 HG3 PRO B 37 38.173 10.849 -9.026 1.00 10.00 H new ATOM 0 HD2 PRO B 37 37.852 7.884 -9.669 1.00 10.00 H new ATOM 0 HD3 PRO B 37 38.777 8.619 -8.374 1.00 10.00 H new ATOM 1102 N PRO B 38 33.269 9.585 -7.958 1.00 10.00 N ATOM 1103 CA PRO B 38 31.873 9.096 -8.011 1.00 10.00 C ATOM 1104 C PRO B 38 31.289 9.018 -9.424 1.00 10.00 C ATOM 1105 O PRO B 38 30.675 8.041 -9.800 1.00 10.00 O ATOM 1106 CB PRO B 38 31.073 10.102 -7.182 1.00 10.00 C ATOM 1107 CG PRO B 38 32.096 10.595 -6.163 1.00 10.00 C ATOM 1108 CD PRO B 38 33.383 10.683 -6.984 1.00 10.00 C ATOM 0 HA PRO B 38 31.831 8.074 -7.635 1.00 10.00 H new ATOM 0 HB2 PRO B 38 30.689 10.917 -7.796 1.00 10.00 H new ATOM 0 HB3 PRO B 38 30.214 9.635 -6.699 1.00 10.00 H new ATOM 0 HG2 PRO B 38 31.816 11.562 -5.746 1.00 10.00 H new ATOM 0 HG3 PRO B 38 32.197 9.904 -5.326 1.00 10.00 H new ATOM 0 HD2 PRO B 38 33.472 11.649 -7.482 1.00 10.00 H new ATOM 0 HD3 PRO B 38 34.265 10.566 -6.354 1.00 10.00 H new ATOM 1116 N ASP B 39 31.672 10.006 -10.252 1.00 10.00 N ATOM 1117 CA ASP B 39 31.243 10.103 -11.658 1.00 10.00 C ATOM 1118 C ASP B 39 31.986 9.152 -12.616 1.00 10.00 C ATOM 1119 O ASP B 39 32.004 9.358 -13.826 1.00 10.00 O ATOM 1120 CB ASP B 39 31.368 11.573 -12.113 1.00 10.00 C ATOM 1121 CG ASP B 39 32.778 12.175 -12.006 1.00 10.00 C ATOM 1122 OD1 ASP B 39 33.530 11.769 -11.091 1.00 10.00 O ATOM 1123 OD2 ASP B 39 33.047 13.115 -12.783 1.00 10.00 O ATOM 0 H ASP B 39 32.291 10.763 -9.963 1.00 10.00 H new ATOM 0 HA ASP B 39 30.204 9.776 -11.704 1.00 10.00 H new ATOM 0 HB2 ASP B 39 31.038 11.645 -13.149 1.00 10.00 H new ATOM 0 HB3 ASP B 39 30.685 12.180 -11.518 1.00 10.00 H new ATOM 1128 N GLN B 40 32.664 8.161 -12.041 1.00 10.00 N ATOM 1129 CA GLN B 40 33.312 7.078 -12.801 1.00 10.00 C ATOM 1130 C GLN B 40 32.923 5.688 -12.252 1.00 10.00 C ATOM 1131 O GLN B 40 33.442 4.651 -12.663 1.00 10.00 O ATOM 1132 CB GLN B 40 34.823 7.298 -12.725 1.00 10.00 C ATOM 1133 CG GLN B 40 35.567 6.431 -13.750 1.00 10.00 C ATOM 1134 CD GLN B 40 37.055 6.267 -13.433 1.00 10.00 C ATOM 1135 OE1 GLN B 40 37.410 6.299 -12.167 1.00 10.00 O flip ATOM 1136 NE2 GLN B 40 37.887 6.091 -14.314 1.00 10.00 N flip ATOM 0 H GLN B 40 32.784 8.080 -11.031 1.00 10.00 H new ATOM 0 HA GLN B 40 32.978 7.102 -13.838 1.00 10.00 H new ATOM 0 HB2 GLN B 40 35.049 8.349 -12.903 1.00 10.00 H new ATOM 0 HB3 GLN B 40 35.177 7.062 -11.721 1.00 10.00 H new ATOM 0 HG2 GLN B 40 35.100 5.447 -13.791 1.00 10.00 H new ATOM 0 HG3 GLN B 40 35.460 6.876 -14.739 1.00 10.00 H new ATOM 0 HE21 GLN B 40 37.597 6.068 -15.292 1.00 10.00 H new ATOM 0 HE22 GLN B 40 38.870 5.967 -14.070 1.00 10.00 H new ATOM 1145 N GLN B 41 31.987 5.686 -11.308 1.00 10.00 N ATOM 1146 CA GLN B 41 31.511 4.457 -10.657 1.00 10.00 C ATOM 1147 C GLN B 41 30.160 4.057 -11.258 1.00 10.00 C ATOM 1148 O GLN B 41 29.272 4.880 -11.442 1.00 10.00 O ATOM 1149 CB GLN B 41 31.295 4.736 -9.170 1.00 10.00 C ATOM 1150 CG GLN B 41 32.556 5.213 -8.446 1.00 10.00 C ATOM 1151 CD GLN B 41 32.258 5.489 -6.973 1.00 10.00 C ATOM 1152 OE1 GLN B 41 31.544 4.769 -6.289 1.00 10.00 O ATOM 1153 NE2 GLN B 41 32.850 6.533 -6.447 1.00 10.00 N ATOM 0 H GLN B 41 31.533 6.534 -10.968 1.00 10.00 H new ATOM 0 HA GLN B 41 32.244 3.663 -10.801 1.00 10.00 H new ATOM 0 HB2 GLN B 41 30.516 5.490 -9.060 1.00 10.00 H new ATOM 0 HB3 GLN B 41 30.931 3.829 -8.688 1.00 10.00 H new ATOM 0 HG2 GLN B 41 33.337 4.458 -8.529 1.00 10.00 H new ATOM 0 HG3 GLN B 41 32.935 6.118 -8.922 1.00 10.00 H new ATOM 0 HE21 GLN B 41 33.444 7.128 -7.025 1.00 10.00 H new ATOM 0 HE22 GLN B 41 32.717 6.751 -5.459 1.00 10.00 H new ATOM 1162 N ARG B 42 30.068 2.762 -11.569 1.00 10.00 N ATOM 1163 CA ARG B 42 28.806 2.125 -11.986 1.00 10.00 C ATOM 1164 C ARG B 42 28.520 0.960 -11.035 1.00 10.00 C ATOM 1165 O ARG B 42 29.275 -0.008 -10.987 1.00 10.00 O ATOM 1166 CB ARG B 42 28.902 1.611 -13.428 1.00 10.00 C ATOM 1167 CG ARG B 42 29.037 2.760 -14.429 1.00 10.00 C ATOM 1168 CD ARG B 42 29.342 2.255 -15.840 1.00 10.00 C ATOM 1169 NE ARG B 42 28.198 1.574 -16.467 1.00 10.00 N ATOM 1170 CZ ARG B 42 28.234 0.989 -17.675 1.00 10.00 C ATOM 1171 NH1 ARG B 42 29.348 0.964 -18.390 1.00 10.00 N ATOM 1172 NH2 ARG B 42 27.140 0.471 -18.195 1.00 10.00 N ATOM 0 H ARG B 42 30.862 2.122 -11.541 1.00 10.00 H new ATOM 0 HA ARG B 42 27.999 2.857 -11.946 1.00 10.00 H new ATOM 0 HB2 ARG B 42 29.760 0.945 -13.521 1.00 10.00 H new ATOM 0 HB3 ARG B 42 28.015 1.024 -13.665 1.00 10.00 H new ATOM 0 HG2 ARG B 42 28.114 3.340 -14.443 1.00 10.00 H new ATOM 0 HG3 ARG B 42 29.831 3.433 -14.105 1.00 10.00 H new ATOM 0 HD2 ARG B 42 29.643 3.097 -16.464 1.00 10.00 H new ATOM 0 HD3 ARG B 42 30.188 1.569 -15.799 1.00 10.00 H new ATOM 0 HE ARG B 42 27.319 1.544 -15.950 1.00 10.00 H new ATOM 0 HH11 ARG B 42 30.198 1.394 -18.025 1.00 10.00 H new ATOM 0 HH12 ARG B 42 29.356 0.515 -19.306 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.261 0.513 -17.680 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.172 0.028 -19.113 1.00 10.00 H new ATOM 1186 N LEU B 43 27.511 1.161 -10.189 1.00 10.00 N ATOM 1187 CA LEU B 43 27.145 0.171 -9.161 1.00 10.00 C ATOM 1188 C LEU B 43 26.000 -0.733 -9.628 1.00 10.00 C ATOM 1189 O LEU B 43 25.024 -0.269 -10.199 1.00 10.00 O ATOM 1190 CB LEU B 43 26.734 0.850 -7.852 1.00 10.00 C ATOM 1191 CG LEU B 43 27.847 1.666 -7.189 1.00 10.00 C ATOM 1192 CD1 LEU B 43 27.314 2.278 -5.896 1.00 10.00 C ATOM 1193 CD2 LEU B 43 29.076 0.807 -6.877 1.00 10.00 C ATOM 0 H LEU B 43 26.929 1.998 -10.190 1.00 10.00 H new ATOM 0 HA LEU B 43 28.033 -0.437 -8.990 1.00 10.00 H new ATOM 0 HB2 LEU B 43 25.886 1.506 -8.047 1.00 10.00 H new ATOM 0 HB3 LEU B 43 26.393 0.087 -7.152 1.00 10.00 H new ATOM 0 HG LEU B 43 28.155 2.446 -7.885 1.00 10.00 H new ATOM 0 HD11 LEU B 43 28.101 2.861 -5.418 1.00 10.00 H new ATOM 0 HD12 LEU B 43 26.468 2.927 -6.122 1.00 10.00 H new ATOM 0 HD13 LEU B 43 26.991 1.483 -5.223 1.00 10.00 H new ATOM 0 HD21 LEU B 43 29.842 1.424 -6.407 1.00 10.00 H new ATOM 0 HD22 LEU B 43 28.794 0.001 -6.200 1.00 10.00 H new ATOM 0 HD23 LEU B 43 29.468 0.383 -7.802 1.00 10.00 H new ATOM 1205 N ILE B 44 26.177 -2.021 -9.343 1.00 10.00 N ATOM 1206 CA ILE B 44 25.211 -3.064 -9.735 1.00 10.00 C ATOM 1207 C ILE B 44 24.712 -3.770 -8.471 1.00 10.00 C ATOM 1208 O ILE B 44 25.500 -4.127 -7.595 1.00 10.00 O ATOM 1209 CB ILE B 44 25.844 -4.068 -10.737 1.00 10.00 C ATOM 1210 CG1 ILE B 44 26.108 -3.441 -12.112 1.00 10.00 C ATOM 1211 CG2 ILE B 44 24.997 -5.329 -10.975 1.00 10.00 C ATOM 1212 CD1 ILE B 44 27.290 -2.467 -12.183 1.00 10.00 C ATOM 0 H ILE B 44 26.987 -2.378 -8.837 1.00 10.00 H new ATOM 0 HA ILE B 44 24.365 -2.605 -10.247 1.00 10.00 H new ATOM 0 HB ILE B 44 26.780 -4.348 -10.254 1.00 10.00 H new ATOM 0 HG12 ILE B 44 26.278 -4.243 -12.830 1.00 10.00 H new ATOM 0 HG13 ILE B 44 25.208 -2.915 -12.430 1.00 10.00 H new ATOM 0 HG21 ILE B 44 25.506 -5.980 -11.686 1.00 10.00 H new ATOM 0 HG22 ILE B 44 24.860 -5.858 -10.032 1.00 10.00 H new ATOM 0 HG23 ILE B 44 24.024 -5.044 -11.376 1.00 10.00 H new ATOM 0 HD11 ILE B 44 27.385 -2.084 -13.199 1.00 10.00 H new ATOM 0 HD12 ILE B 44 27.119 -1.637 -11.497 1.00 10.00 H new ATOM 0 HD13 ILE B 44 28.207 -2.986 -11.903 1.00 10.00 H new ATOM 1224 N PHE B 45 23.420 -4.061 -8.503 1.00 10.00 N ATOM 1225 CA PHE B 45 22.768 -4.938 -7.517 1.00 10.00 C ATOM 1226 C PHE B 45 21.504 -5.540 -8.134 1.00 10.00 C ATOM 1227 O PHE B 45 20.714 -4.831 -8.753 1.00 10.00 O ATOM 1228 CB PHE B 45 22.419 -4.146 -6.255 1.00 10.00 C ATOM 1229 CG PHE B 45 21.781 -5.052 -5.202 1.00 10.00 C ATOM 1230 CD1 PHE B 45 22.575 -5.924 -4.469 1.00 10.00 C ATOM 1231 CD2 PHE B 45 20.407 -5.014 -5.000 1.00 10.00 C ATOM 1232 CE1 PHE B 45 21.993 -6.764 -3.530 1.00 10.00 C ATOM 1233 CE2 PHE B 45 19.824 -5.848 -4.052 1.00 10.00 C ATOM 1234 CZ PHE B 45 20.618 -6.724 -3.319 1.00 10.00 C ATOM 0 H PHE B 45 22.784 -3.698 -9.213 1.00 10.00 H new ATOM 0 HA PHE B 45 23.450 -5.742 -7.240 1.00 10.00 H new ATOM 0 HB2 PHE B 45 23.320 -3.687 -5.848 1.00 10.00 H new ATOM 0 HB3 PHE B 45 21.734 -3.336 -6.507 1.00 10.00 H new ATOM 0 HD1 PHE B 45 23.643 -5.948 -4.629 1.00 10.00 H new ATOM 0 HD2 PHE B 45 19.793 -4.339 -5.578 1.00 10.00 H new ATOM 0 HE1 PHE B 45 22.607 -7.448 -2.963 1.00 10.00 H new ATOM 0 HE2 PHE B 45 18.757 -5.816 -3.885 1.00 10.00 H new ATOM 0 HZ PHE B 45 20.166 -7.374 -2.585 1.00 10.00 H new ATOM 1244 N ALA B 46 21.421 -6.868 -8.049 1.00 10.00 N ATOM 1245 CA ALA B 46 20.267 -7.651 -8.561 1.00 10.00 C ATOM 1246 C ALA B 46 19.956 -7.336 -10.040 1.00 10.00 C ATOM 1247 O ALA B 46 18.801 -7.160 -10.458 1.00 10.00 O ATOM 1248 CB ALA B 46 19.063 -7.463 -7.621 1.00 10.00 C ATOM 0 H ALA B 46 22.148 -7.444 -7.624 1.00 10.00 H new ATOM 0 HA ALA B 46 20.524 -8.710 -8.558 1.00 10.00 H new ATOM 0 HB1 ALA B 46 18.216 -8.037 -7.996 1.00 10.00 H new ATOM 0 HB2 ALA B 46 19.324 -7.811 -6.622 1.00 10.00 H new ATOM 0 HB3 ALA B 46 18.796 -6.407 -7.579 1.00 10.00 H new ATOM 1254 N GLY B 47 21.024 -7.243 -10.829 1.00 10.00 N ATOM 1255 CA GLY B 47 20.960 -6.961 -12.285 1.00 10.00 C ATOM 1256 C GLY B 47 20.411 -5.565 -12.623 1.00 10.00 C ATOM 1257 O GLY B 47 19.821 -5.358 -13.682 1.00 10.00 O ATOM 0 H GLY B 47 21.976 -7.361 -10.483 1.00 10.00 H new ATOM 0 HA2 GLY B 47 21.959 -7.061 -12.709 1.00 10.00 H new ATOM 0 HA3 GLY B 47 20.334 -7.713 -12.764 1.00 10.00 H new ATOM 1261 N LYS B 48 20.669 -4.617 -11.730 1.00 10.00 N ATOM 1262 CA LYS B 48 20.220 -3.220 -11.869 1.00 10.00 C ATOM 1263 C LYS B 48 21.409 -2.277 -11.667 1.00 10.00 C ATOM 1264 O LYS B 48 22.215 -2.466 -10.763 1.00 10.00 O ATOM 1265 CB LYS B 48 19.158 -2.916 -10.807 1.00 10.00 C ATOM 1266 CG LYS B 48 17.774 -3.449 -11.195 1.00 10.00 C ATOM 1267 CD LYS B 48 16.704 -3.040 -10.177 1.00 10.00 C ATOM 1268 CE LYS B 48 16.803 -3.803 -8.851 1.00 10.00 C ATOM 1269 NZ LYS B 48 16.429 -5.215 -9.019 1.00 10.00 N ATOM 0 H LYS B 48 21.201 -4.789 -10.877 1.00 10.00 H new ATOM 0 HA LYS B 48 19.800 -3.076 -12.864 1.00 10.00 H new ATOM 0 HB2 LYS B 48 19.461 -3.357 -9.857 1.00 10.00 H new ATOM 0 HB3 LYS B 48 19.099 -1.838 -10.654 1.00 10.00 H new ATOM 0 HG2 LYS B 48 17.502 -3.072 -12.181 1.00 10.00 H new ATOM 0 HG3 LYS B 48 17.810 -4.536 -11.269 1.00 10.00 H new ATOM 0 HD2 LYS B 48 16.790 -1.971 -9.980 1.00 10.00 H new ATOM 0 HD3 LYS B 48 15.718 -3.206 -10.611 1.00 10.00 H new ATOM 0 HE2 LYS B 48 17.821 -3.737 -8.466 1.00 10.00 H new ATOM 0 HE3 LYS B 48 16.152 -3.337 -8.111 1.00 10.00 H new ATOM 0 HZ1 LYS B 48 17.145 -5.820 -8.568 1.00 10.00 H new ATOM 0 HZ2 LYS B 48 15.504 -5.384 -8.575 1.00 10.00 H new ATOM 0 HZ3 LYS B 48 16.373 -5.441 -10.033 1.00 10.00 H new ATOM 1283 N GLN B 49 21.521 -1.313 -12.586 1.00 10.00 N ATOM 1284 CA GLN B 49 22.493 -0.216 -12.443 1.00 10.00 C ATOM 1285 C GLN B 49 21.880 0.857 -11.540 1.00 10.00 C ATOM 1286 O GLN B 49 20.743 1.276 -11.718 1.00 10.00 O ATOM 1287 CB GLN B 49 22.842 0.407 -13.795 1.00 10.00 C ATOM 1288 CG GLN B 49 23.376 -0.636 -14.780 1.00 10.00 C ATOM 1289 CD GLN B 49 24.103 0.013 -15.957 1.00 10.00 C ATOM 1290 OE1 GLN B 49 24.882 0.948 -15.826 1.00 10.00 O ATOM 1291 NE2 GLN B 49 23.909 -0.547 -17.130 1.00 10.00 N ATOM 0 H GLN B 49 20.956 -1.267 -13.434 1.00 10.00 H new ATOM 0 HA GLN B 49 23.410 -0.617 -12.012 1.00 10.00 H new ATOM 0 HB2 GLN B 49 21.956 0.884 -14.215 1.00 10.00 H new ATOM 0 HB3 GLN B 49 23.588 1.189 -13.653 1.00 10.00 H new ATOM 0 HG2 GLN B 49 24.056 -1.311 -14.261 1.00 10.00 H new ATOM 0 HG3 GLN B 49 22.549 -1.241 -15.153 1.00 10.00 H new ATOM 0 HE21 GLN B 49 23.256 -1.325 -17.222 1.00 10.00 H new ATOM 0 HE22 GLN B 49 24.411 -0.203 -17.949 1.00 10.00 H new ATOM 1300 N LEU B 50 22.670 1.262 -10.549 1.00 10.00 N ATOM 1301 CA LEU B 50 22.188 2.196 -9.525 1.00 10.00 C ATOM 1302 C LEU B 50 22.250 3.645 -10.019 1.00 10.00 C ATOM 1303 O LEU B 50 23.224 4.094 -10.602 1.00 10.00 O ATOM 1304 CB LEU B 50 22.973 1.974 -8.228 1.00 10.00 C ATOM 1305 CG LEU B 50 22.981 0.505 -7.778 1.00 10.00 C ATOM 1306 CD1 LEU B 50 23.687 0.385 -6.433 1.00 10.00 C ATOM 1307 CD2 LEU B 50 21.585 -0.127 -7.697 1.00 10.00 C ATOM 0 H LEU B 50 23.638 0.964 -10.430 1.00 10.00 H new ATOM 0 HA LEU B 50 21.136 2.000 -9.318 1.00 10.00 H new ATOM 0 HB2 LEU B 50 24.000 2.311 -8.369 1.00 10.00 H new ATOM 0 HB3 LEU B 50 22.541 2.588 -7.438 1.00 10.00 H new ATOM 0 HG LEU B 50 23.520 -0.051 -8.545 1.00 10.00 H new ATOM 0 HD11 LEU B 50 23.691 -0.658 -6.116 1.00 10.00 H new ATOM 0 HD12 LEU B 50 24.713 0.740 -6.528 1.00 10.00 H new ATOM 0 HD13 LEU B 50 23.162 0.987 -5.692 1.00 10.00 H new ATOM 0 HD21 LEU B 50 21.673 -1.164 -7.373 1.00 10.00 H new ATOM 0 HD22 LEU B 50 20.976 0.426 -6.982 1.00 10.00 H new ATOM 0 HD23 LEU B 50 21.113 -0.093 -8.679 1.00 10.00 H new ATOM 1319 N GLU B 51 21.155 4.354 -9.748 1.00 10.00 N ATOM 1320 CA GLU B 51 20.943 5.730 -10.202 1.00 10.00 C ATOM 1321 C GLU B 51 21.097 6.710 -9.044 1.00 10.00 C ATOM 1322 O GLU B 51 20.531 6.499 -7.976 1.00 10.00 O ATOM 1323 CB GLU B 51 19.541 5.833 -10.790 1.00 10.00 C ATOM 1324 CG GLU B 51 19.251 4.825 -11.898 1.00 10.00 C ATOM 1325 CD GLU B 51 19.994 5.146 -13.177 1.00 10.00 C ATOM 1326 OE1 GLU B 51 21.132 4.664 -13.346 1.00 10.00 O ATOM 1327 OE2 GLU B 51 19.428 5.862 -14.029 1.00 10.00 O ATOM 0 H GLU B 51 20.379 3.985 -9.199 1.00 10.00 H new ATOM 0 HA GLU B 51 21.688 5.983 -10.957 1.00 10.00 H new ATOM 0 HB2 GLU B 51 18.813 5.696 -9.990 1.00 10.00 H new ATOM 0 HB3 GLU B 51 19.397 6.839 -11.183 1.00 10.00 H new ATOM 0 HG2 GLU B 51 19.529 3.827 -11.560 1.00 10.00 H new ATOM 0 HG3 GLU B 51 18.180 4.807 -12.098 1.00 10.00 H new ATOM 1334 N ASP B 52 21.787 7.810 -9.307 1.00 10.00 N ATOM 1335 CA ASP B 52 22.148 8.794 -8.258 1.00 10.00 C ATOM 1336 C ASP B 52 20.975 9.279 -7.399 1.00 10.00 C ATOM 1337 O ASP B 52 21.079 9.258 -6.165 1.00 10.00 O ATOM 1338 CB ASP B 52 22.859 10.004 -8.875 1.00 10.00 C ATOM 1339 CG ASP B 52 24.285 9.683 -9.324 1.00 10.00 C ATOM 1340 OD1 ASP B 52 24.969 8.954 -8.572 1.00 10.00 O ATOM 1341 OD2 ASP B 52 24.627 10.131 -10.437 1.00 10.00 O ATOM 0 H ASP B 52 22.117 8.058 -10.240 1.00 10.00 H new ATOM 0 HA ASP B 52 22.815 8.253 -7.586 1.00 10.00 H new ATOM 0 HB2 ASP B 52 22.285 10.361 -9.730 1.00 10.00 H new ATOM 0 HB3 ASP B 52 22.885 10.815 -8.147 1.00 10.00 H new ATOM 1346 N GLY B 53 19.862 9.621 -8.082 1.00 10.00 N ATOM 1347 CA GLY B 53 18.645 10.125 -7.433 1.00 10.00 C ATOM 1348 C GLY B 53 17.745 9.057 -6.807 1.00 10.00 C ATOM 1349 O GLY B 53 16.617 9.361 -6.396 1.00 10.00 O ATOM 0 H GLY B 53 19.787 9.554 -9.097 1.00 10.00 H new ATOM 0 HA2 GLY B 53 18.934 10.833 -6.656 1.00 10.00 H new ATOM 0 HA3 GLY B 53 18.064 10.680 -8.170 1.00 10.00 H new ATOM 1353 N ARG B 54 18.212 7.806 -6.774 1.00 10.00 N ATOM 1354 CA ARG B 54 17.468 6.707 -6.140 1.00 10.00 C ATOM 1355 C ARG B 54 18.196 6.310 -4.859 1.00 10.00 C ATOM 1356 O ARG B 54 19.352 6.691 -4.654 1.00 10.00 O ATOM 1357 CB ARG B 54 17.343 5.491 -7.074 1.00 10.00 C ATOM 1358 CG ARG B 54 16.687 5.766 -8.441 1.00 10.00 C ATOM 1359 CD ARG B 54 15.243 6.276 -8.362 1.00 10.00 C ATOM 1360 NE ARG B 54 14.323 5.269 -7.834 1.00 10.00 N ATOM 1361 CZ ARG B 54 13.056 5.096 -8.223 1.00 10.00 C ATOM 1362 NH1 ARG B 54 12.539 5.757 -9.254 1.00 10.00 N ATOM 1363 NH2 ARG B 54 12.285 4.272 -7.540 1.00 10.00 N ATOM 0 H ARG B 54 19.105 7.525 -7.180 1.00 10.00 H new ATOM 0 HA ARG B 54 16.457 7.047 -5.917 1.00 10.00 H new ATOM 0 HB2 ARG B 54 18.339 5.083 -7.245 1.00 10.00 H new ATOM 0 HB3 ARG B 54 16.766 4.720 -6.563 1.00 10.00 H new ATOM 0 HG2 ARG B 54 17.289 6.499 -8.978 1.00 10.00 H new ATOM 0 HG3 ARG B 54 16.703 4.848 -9.029 1.00 10.00 H new ATOM 0 HD2 ARG B 54 15.208 7.163 -7.729 1.00 10.00 H new ATOM 0 HD3 ARG B 54 14.913 6.580 -9.355 1.00 10.00 H new ATOM 0 HE ARG B 54 14.678 4.647 -7.108 1.00 10.00 H new ATOM 0 HH11 ARG B 54 13.113 6.420 -9.775 1.00 10.00 H new ATOM 0 HH12 ARG B 54 11.568 5.601 -9.525 1.00 10.00 H new ATOM 0 HH21 ARG B 54 12.658 3.779 -6.729 1.00 10.00 H new ATOM 0 HH22 ARG B 54 11.316 4.128 -7.823 1.00 10.00 H new ATOM 1377 N THR B 55 17.532 5.533 -4.014 1.00 10.00 N ATOM 1378 CA THR B 55 18.105 5.108 -2.733 1.00 10.00 C ATOM 1379 C THR B 55 18.221 3.588 -2.653 1.00 10.00 C ATOM 1380 O THR B 55 17.729 2.872 -3.522 1.00 10.00 O ATOM 1381 CB THR B 55 17.243 5.573 -1.541 1.00 10.00 C ATOM 1382 OG1 THR B 55 15.892 5.150 -1.737 1.00 10.00 O ATOM 1383 CG2 THR B 55 17.295 7.095 -1.359 1.00 10.00 C ATOM 0 H THR B 55 16.591 5.180 -4.189 1.00 10.00 H new ATOM 0 HA THR B 55 19.093 5.565 -2.678 1.00 10.00 H new ATOM 0 HB THR B 55 17.647 5.121 -0.635 1.00 10.00 H new ATOM 0 HG1 THR B 55 15.642 4.516 -1.032 1.00 10.00 H new ATOM 0 HG21 THR B 55 16.675 7.381 -0.509 1.00 10.00 H new ATOM 0 HG22 THR B 55 18.324 7.405 -1.178 1.00 10.00 H new ATOM 0 HG23 THR B 55 16.923 7.582 -2.260 1.00 10.00 H new ATOM 1391 N LEU B 56 18.882 3.109 -1.599 1.00 10.00 N ATOM 1392 CA LEU B 56 19.069 1.657 -1.383 1.00 10.00 C ATOM 1393 C LEU B 56 17.744 0.893 -1.243 1.00 10.00 C ATOM 1394 O LEU B 56 17.533 -0.136 -1.882 1.00 10.00 O ATOM 1395 CB LEU B 56 19.929 1.397 -0.144 1.00 10.00 C ATOM 1396 CG LEU B 56 21.359 1.917 -0.290 1.00 10.00 C ATOM 1397 CD1 LEU B 56 22.105 1.669 1.017 1.00 10.00 C ATOM 1398 CD2 LEU B 56 22.121 1.235 -1.427 1.00 10.00 C ATOM 0 H LEU B 56 19.300 3.697 -0.877 1.00 10.00 H new ATOM 0 HA LEU B 56 19.574 1.286 -2.275 1.00 10.00 H new ATOM 0 HB2 LEU B 56 19.463 1.869 0.721 1.00 10.00 H new ATOM 0 HB3 LEU B 56 19.956 0.326 0.054 1.00 10.00 H new ATOM 0 HG LEU B 56 21.301 2.980 -0.524 1.00 10.00 H new ATOM 0 HD11 LEU B 56 23.128 2.035 0.927 1.00 10.00 H new ATOM 0 HD12 LEU B 56 21.601 2.194 1.829 1.00 10.00 H new ATOM 0 HD13 LEU B 56 22.120 0.600 1.230 1.00 10.00 H new ATOM 0 HD21 LEU B 56 23.130 1.643 -1.485 1.00 10.00 H new ATOM 0 HD22 LEU B 56 22.173 0.163 -1.238 1.00 10.00 H new ATOM 0 HD23 LEU B 56 21.603 1.412 -2.370 1.00 10.00 H new ATOM 1410 N SER B 57 16.796 1.546 -0.554 1.00 10.00 N ATOM 1411 CA SER B 57 15.443 1.010 -0.346 1.00 10.00 C ATOM 1412 C SER B 57 14.703 0.830 -1.676 1.00 10.00 C ATOM 1413 O SER B 57 13.789 0.012 -1.773 1.00 10.00 O ATOM 1414 CB SER B 57 14.636 1.943 0.583 1.00 10.00 C ATOM 1415 OG SER B 57 14.530 3.247 0.042 1.00 10.00 O ATOM 0 H SER B 57 16.946 2.460 -0.126 1.00 10.00 H new ATOM 0 HA SER B 57 15.541 0.031 0.123 1.00 10.00 H new ATOM 0 HB2 SER B 57 13.639 1.530 0.739 1.00 10.00 H new ATOM 0 HB3 SER B 57 15.117 1.991 1.560 1.00 10.00 H new ATOM 0 HG SER B 57 14.013 3.813 0.652 1.00 10.00 H new ATOM 1421 N ASP B 58 15.098 1.610 -2.688 1.00 10.00 N ATOM 1422 CA ASP B 58 14.456 1.575 -4.017 1.00 10.00 C ATOM 1423 C ASP B 58 14.843 0.330 -4.821 1.00 10.00 C ATOM 1424 O ASP B 58 14.184 -0.013 -5.806 1.00 10.00 O ATOM 1425 CB ASP B 58 14.816 2.830 -4.818 1.00 10.00 C ATOM 1426 CG ASP B 58 14.050 4.053 -4.382 1.00 10.00 C ATOM 1427 OD1 ASP B 58 12.957 3.911 -3.775 1.00 10.00 O ATOM 1428 OD2 ASP B 58 14.540 5.163 -4.652 1.00 10.00 O ATOM 0 H ASP B 58 15.864 2.279 -2.616 1.00 10.00 H new ATOM 0 HA ASP B 58 13.380 1.540 -3.845 1.00 10.00 H new ATOM 0 HB2 ASP B 58 15.884 3.023 -4.718 1.00 10.00 H new ATOM 0 HB3 ASP B 58 14.623 2.646 -5.875 1.00 10.00 H new ATOM 1433 N TYR B 59 15.922 -0.332 -4.409 1.00 10.00 N ATOM 1434 CA TYR B 59 16.410 -1.544 -5.077 1.00 10.00 C ATOM 1435 C TYR B 59 16.305 -2.768 -4.159 1.00 10.00 C ATOM 1436 O TYR B 59 16.791 -3.857 -4.493 1.00 10.00 O ATOM 1437 CB TYR B 59 17.865 -1.344 -5.487 1.00 10.00 C ATOM 1438 CG TYR B 59 18.078 -0.263 -6.508 1.00 10.00 C ATOM 1439 CD1 TYR B 59 18.054 -0.556 -7.865 1.00 10.00 C ATOM 1440 CD2 TYR B 59 18.361 1.039 -6.117 1.00 10.00 C ATOM 1441 CE1 TYR B 59 18.308 0.418 -8.809 1.00 10.00 C ATOM 1442 CE2 TYR B 59 18.604 2.021 -7.055 1.00 10.00 C ATOM 1443 CZ TYR B 59 18.585 1.701 -8.398 1.00 10.00 C ATOM 1444 OH TYR B 59 18.854 2.669 -9.330 1.00 10.00 O ATOM 0 H TYR B 59 16.483 -0.048 -3.606 1.00 10.00 H new ATOM 0 HA TYR B 59 15.791 -1.722 -5.956 1.00 10.00 H new ATOM 0 HB2 TYR B 59 18.451 -1.109 -4.599 1.00 10.00 H new ATOM 0 HB3 TYR B 59 18.251 -2.283 -5.884 1.00 10.00 H new ATOM 0 HD1 TYR B 59 17.833 -1.563 -8.187 1.00 10.00 H new ATOM 0 HD2 TYR B 59 18.391 1.286 -5.066 1.00 10.00 H new ATOM 0 HE1 TYR B 59 18.289 0.175 -9.861 1.00 10.00 H new ATOM 0 HE2 TYR B 59 18.808 3.034 -6.741 1.00 10.00 H new ATOM 0 HH TYR B 59 18.052 3.212 -9.479 1.00 10.00 H new ATOM 1454 N ASN B 60 15.653 -2.572 -3.008 1.00 10.00 N ATOM 1455 CA ASN B 60 15.455 -3.619 -1.993 1.00 10.00 C ATOM 1456 C ASN B 60 16.789 -4.078 -1.365 1.00 10.00 C ATOM 1457 O ASN B 60 16.925 -5.194 -0.861 1.00 10.00 O ATOM 1458 CB ASN B 60 14.650 -4.790 -2.570 1.00 10.00 C ATOM 1459 CG ASN B 60 14.012 -5.656 -1.495 1.00 10.00 C ATOM 1460 OD1 ASN B 60 13.622 -5.171 -0.429 1.00 10.00 O ATOM 1461 ND2 ASN B 60 13.915 -6.942 -1.764 1.00 10.00 N ATOM 0 H ASN B 60 15.243 -1.674 -2.750 1.00 10.00 H new ATOM 0 HA ASN B 60 14.871 -3.188 -1.180 1.00 10.00 H new ATOM 0 HB2 ASN B 60 13.871 -4.401 -3.226 1.00 10.00 H new ATOM 0 HB3 ASN B 60 15.305 -5.407 -3.185 1.00 10.00 H new ATOM 0 HD21 ASN B 60 13.505 -7.577 -1.079 1.00 10.00 H new ATOM 0 HD22 ASN B 60 14.250 -7.303 -2.657 1.00 10.00 H new ATOM 1468 N ILE B 61 17.771 -3.193 -1.438 1.00 10.00 N ATOM 1469 CA ILE B 61 19.092 -3.383 -0.805 1.00 10.00 C ATOM 1470 C ILE B 61 18.909 -3.174 0.701 1.00 10.00 C ATOM 1471 O ILE B 61 18.739 -2.053 1.171 1.00 10.00 O ATOM 1472 CB ILE B 61 20.138 -2.422 -1.405 1.00 10.00 C ATOM 1473 CG1 ILE B 61 20.268 -2.696 -2.911 1.00 10.00 C ATOM 1474 CG2 ILE B 61 21.494 -2.540 -0.682 1.00 10.00 C ATOM 1475 CD1 ILE B 61 21.182 -1.739 -3.685 1.00 10.00 C ATOM 0 H ILE B 61 17.685 -2.310 -1.941 1.00 10.00 H new ATOM 0 HA ILE B 61 19.471 -4.388 -0.992 1.00 10.00 H new ATOM 0 HB ILE B 61 19.803 -1.395 -1.262 1.00 10.00 H new ATOM 0 HG12 ILE B 61 20.639 -3.712 -3.046 1.00 10.00 H new ATOM 0 HG13 ILE B 61 19.273 -2.658 -3.356 1.00 10.00 H new ATOM 0 HG21 ILE B 61 22.207 -1.849 -1.131 1.00 10.00 H new ATOM 0 HG22 ILE B 61 21.366 -2.296 0.373 1.00 10.00 H new ATOM 0 HG23 ILE B 61 21.869 -3.559 -0.776 1.00 10.00 H new ATOM 0 HD11 ILE B 61 21.200 -2.024 -4.737 1.00 10.00 H new ATOM 0 HD12 ILE B 61 20.805 -0.721 -3.592 1.00 10.00 H new ATOM 0 HD13 ILE B 61 22.192 -1.791 -3.277 1.00 10.00 H new ATOM 1487 N GLN B 62 18.956 -4.276 1.434 1.00 10.00 N ATOM 1488 CA GLN B 62 18.769 -4.251 2.875 1.00 10.00 C ATOM 1489 C GLN B 62 20.096 -4.468 3.606 1.00 10.00 C ATOM 1490 O GLN B 62 21.163 -4.453 2.992 1.00 10.00 O ATOM 1491 CB GLN B 62 17.749 -5.328 3.271 1.00 10.00 C ATOM 1492 CG GLN B 62 16.379 -5.159 2.612 1.00 10.00 C ATOM 1493 CD GLN B 62 15.326 -6.112 3.167 1.00 10.00 C ATOM 1494 OE1 GLN B 62 15.763 -7.231 3.728 1.00 10.00 O flip ATOM 1495 NE2 GLN B 62 14.128 -5.835 3.109 1.00 10.00 N flip ATOM 0 H GLN B 62 19.124 -5.206 1.050 1.00 10.00 H new ATOM 0 HA GLN B 62 18.392 -3.271 3.167 1.00 10.00 H new ATOM 0 HB2 GLN B 62 18.149 -6.307 3.008 1.00 10.00 H new ATOM 0 HB3 GLN B 62 17.624 -5.315 4.354 1.00 10.00 H new ATOM 0 HG2 GLN B 62 16.040 -4.132 2.751 1.00 10.00 H new ATOM 0 HG3 GLN B 62 16.477 -5.320 1.538 1.00 10.00 H new ATOM 0 HE21 GLN B 62 13.826 -4.965 2.670 1.00 10.00 H new ATOM 0 HE22 GLN B 62 13.437 -6.475 3.500 1.00 10.00 H new ATOM 1504 N LYS B 63 20.024 -4.648 4.924 1.00 10.00 N ATOM 1505 CA LYS B 63 21.234 -4.873 5.735 1.00 10.00 C ATOM 1506 C LYS B 63 21.896 -6.187 5.298 1.00 10.00 C ATOM 1507 O LYS B 63 21.203 -7.130 4.934 1.00 10.00 O ATOM 1508 CB LYS B 63 20.893 -4.911 7.231 1.00 10.00 C ATOM 1509 CG LYS B 63 20.048 -6.116 7.662 1.00 10.00 C ATOM 1510 CD LYS B 63 19.711 -6.016 9.145 1.00 10.00 C ATOM 1511 CE LYS B 63 18.920 -7.240 9.600 1.00 10.00 C ATOM 1512 NZ LYS B 63 18.432 -7.028 10.968 1.00 10.00 N ATOM 0 H LYS B 63 19.153 -4.644 5.455 1.00 10.00 H new ATOM 0 HA LYS B 63 21.928 -4.047 5.577 1.00 10.00 H new ATOM 0 HB2 LYS B 63 21.821 -4.912 7.802 1.00 10.00 H new ATOM 0 HB3 LYS B 63 20.359 -3.997 7.492 1.00 10.00 H new ATOM 0 HG2 LYS B 63 19.131 -6.155 7.075 1.00 10.00 H new ATOM 0 HG3 LYS B 63 20.592 -7.040 7.466 1.00 10.00 H new ATOM 0 HD2 LYS B 63 20.629 -5.932 9.727 1.00 10.00 H new ATOM 0 HD3 LYS B 63 19.132 -5.112 9.332 1.00 10.00 H new ATOM 0 HE2 LYS B 63 18.081 -7.415 8.926 1.00 10.00 H new ATOM 0 HE3 LYS B 63 19.550 -8.128 9.561 1.00 10.00 H new ATOM 0 HZ1 LYS B 63 17.893 -7.862 11.278 1.00 10.00 H new ATOM 0 HZ2 LYS B 63 19.240 -6.881 11.606 1.00 10.00 H new ATOM 0 HZ3 LYS B 63 17.816 -6.190 10.991 1.00 10.00 H new ATOM 1526 N GLU B 64 23.233 -6.158 5.270 1.00 10.00 N ATOM 1527 CA GLU B 64 24.063 -7.339 4.932 1.00 10.00 C ATOM 1528 C GLU B 64 24.075 -7.691 3.434 1.00 10.00 C ATOM 1529 O GLU B 64 24.666 -8.696 3.044 1.00 10.00 O ATOM 1530 CB GLU B 64 23.603 -8.587 5.708 1.00 10.00 C ATOM 1531 CG GLU B 64 24.627 -9.105 6.714 1.00 10.00 C ATOM 1532 CD GLU B 64 25.081 -8.051 7.729 1.00 10.00 C ATOM 1533 OE1 GLU B 64 24.287 -7.141 8.064 1.00 10.00 O ATOM 1534 OE2 GLU B 64 26.253 -8.183 8.140 1.00 10.00 O ATOM 0 H GLU B 64 23.777 -5.321 5.479 1.00 10.00 H new ATOM 0 HA GLU B 64 25.074 -7.051 5.219 1.00 10.00 H new ATOM 0 HB2 GLU B 64 22.677 -8.354 6.234 1.00 10.00 H new ATOM 0 HB3 GLU B 64 23.374 -9.381 4.997 1.00 10.00 H new ATOM 0 HG2 GLU B 64 24.200 -9.953 7.250 1.00 10.00 H new ATOM 0 HG3 GLU B 64 25.498 -9.476 6.174 1.00 10.00 H new ATOM 1541 N SER B 65 23.484 -6.827 2.614 1.00 10.00 N ATOM 1542 CA SER B 65 23.505 -7.006 1.148 1.00 10.00 C ATOM 1543 C SER B 65 24.912 -6.722 0.633 1.00 10.00 C ATOM 1544 O SER B 65 25.633 -5.885 1.161 1.00 10.00 O ATOM 1545 CB SER B 65 22.557 -6.036 0.449 1.00 10.00 C ATOM 1546 OG SER B 65 21.201 -6.320 0.784 1.00 10.00 O ATOM 0 H SER B 65 22.984 -5.996 2.929 1.00 10.00 H new ATOM 0 HA SER B 65 23.194 -8.029 0.935 1.00 10.00 H new ATOM 0 HB2 SER B 65 22.800 -5.013 0.736 1.00 10.00 H new ATOM 0 HB3 SER B 65 22.691 -6.104 -0.631 1.00 10.00 H new ATOM 0 HG SER B 65 20.953 -5.825 1.593 1.00 10.00 H new ATOM 1552 N THR B 66 25.312 -7.508 -0.369 1.00 10.00 N ATOM 1553 CA THR B 66 26.608 -7.265 -1.020 1.00 10.00 C ATOM 1554 C THR B 66 26.378 -6.961 -2.507 1.00 10.00 C ATOM 1555 O THR B 66 25.552 -7.561 -3.177 1.00 10.00 O ATOM 1556 CB THR B 66 27.671 -8.372 -0.805 1.00 10.00 C ATOM 1557 OG1 THR B 66 27.807 -9.204 -1.954 1.00 10.00 O ATOM 1558 CG2 THR B 66 27.415 -9.270 0.414 1.00 10.00 C ATOM 0 H THR B 66 24.780 -8.295 -0.741 1.00 10.00 H new ATOM 0 HA THR B 66 27.047 -6.398 -0.527 1.00 10.00 H new ATOM 0 HB THR B 66 28.592 -7.819 -0.621 1.00 10.00 H new ATOM 0 HG1 THR B 66 28.486 -9.889 -1.783 1.00 10.00 H new ATOM 0 HG21 THR B 66 28.206 -10.016 0.489 1.00 10.00 H new ATOM 0 HG22 THR B 66 27.403 -8.661 1.318 1.00 10.00 H new ATOM 0 HG23 THR B 66 26.454 -9.771 0.301 1.00 10.00 H new ATOM 1566 N LEU B 67 27.035 -5.876 -2.905 1.00 10.00 N ATOM 1567 CA LEU B 67 27.016 -5.339 -4.268 1.00 10.00 C ATOM 1568 C LEU B 67 28.390 -5.613 -4.891 1.00 10.00 C ATOM 1569 O LEU B 67 29.355 -5.952 -4.216 1.00 10.00 O ATOM 1570 CB LEU B 67 26.775 -3.821 -4.202 1.00 10.00 C ATOM 1571 CG LEU B 67 25.347 -3.365 -3.846 1.00 10.00 C ATOM 1572 CD1 LEU B 67 24.840 -3.840 -2.482 1.00 10.00 C ATOM 1573 CD2 LEU B 67 25.329 -1.838 -3.834 1.00 10.00 C ATOM 0 H LEU B 67 27.614 -5.327 -2.270 1.00 10.00 H new ATOM 0 HA LEU B 67 26.228 -5.802 -4.862 1.00 10.00 H new ATOM 0 HB2 LEU B 67 27.461 -3.399 -3.468 1.00 10.00 H new ATOM 0 HB3 LEU B 67 27.039 -3.392 -5.168 1.00 10.00 H new ATOM 0 HG LEU B 67 24.691 -3.807 -4.596 1.00 10.00 H new ATOM 0 HD11 LEU B 67 23.828 -3.470 -2.321 1.00 10.00 H new ATOM 0 HD12 LEU B 67 24.836 -4.930 -2.454 1.00 10.00 H new ATOM 0 HD13 LEU B 67 25.495 -3.459 -1.698 1.00 10.00 H new ATOM 0 HD21 LEU B 67 24.327 -1.488 -3.584 1.00 10.00 H new ATOM 0 HD22 LEU B 67 26.037 -1.472 -3.091 1.00 10.00 H new ATOM 0 HD23 LEU B 67 25.609 -1.463 -4.818 1.00 10.00 H new ATOM 1585 N HIS B 68 28.425 -5.450 -6.211 1.00 10.00 N ATOM 1586 CA HIS B 68 29.678 -5.558 -6.967 1.00 10.00 C ATOM 1587 C HIS B 68 30.011 -4.226 -7.642 1.00 10.00 C ATOM 1588 O HIS B 68 29.133 -3.440 -7.976 1.00 10.00 O ATOM 1589 CB HIS B 68 29.589 -6.686 -7.995 1.00 10.00 C ATOM 1590 CG HIS B 68 29.722 -8.046 -7.308 1.00 10.00 C ATOM 1591 ND1 HIS B 68 28.740 -8.737 -6.735 1.00 10.00 N ATOM 1592 CD2 HIS B 68 30.839 -8.757 -7.217 1.00 10.00 C ATOM 1593 CE1 HIS B 68 29.255 -9.876 -6.285 1.00 10.00 C ATOM 1594 NE2 HIS B 68 30.550 -9.890 -6.589 1.00 10.00 N ATOM 0 H HIS B 68 27.605 -5.243 -6.781 1.00 10.00 H new ATOM 0 HA HIS B 68 30.484 -5.797 -6.273 1.00 10.00 H new ATOM 0 HB2 HIS B 68 28.638 -6.630 -8.524 1.00 10.00 H new ATOM 0 HB3 HIS B 68 30.375 -6.570 -8.741 1.00 10.00 H new ATOM 0 HD1 HIS B 68 27.766 -8.445 -6.655 1.00 10.00 H new ATOM 0 HD2 HIS B 68 31.810 -8.465 -7.588 1.00 10.00 H new ATOM 0 HE1 HIS B 68 28.717 -10.654 -5.764 1.00 10.00 H new ATOM 1603 N LEU B 69 31.321 -4.014 -7.753 1.00 10.00 N ATOM 1604 CA LEU B 69 31.881 -2.815 -8.380 1.00 10.00 C ATOM 1605 C LEU B 69 32.667 -3.208 -9.637 1.00 10.00 C ATOM 1606 O LEU B 69 33.541 -4.061 -9.607 1.00 10.00 O ATOM 1607 CB LEU B 69 32.804 -2.116 -7.371 1.00 10.00 C ATOM 1608 CG LEU B 69 33.545 -0.902 -7.950 1.00 10.00 C ATOM 1609 CD1 LEU B 69 32.577 0.212 -8.352 1.00 10.00 C ATOM 1610 CD2 LEU B 69 34.570 -0.384 -6.945 1.00 10.00 C ATOM 0 H LEU B 69 32.025 -4.668 -7.411 1.00 10.00 H new ATOM 0 HA LEU B 69 31.080 -2.136 -8.671 1.00 10.00 H new ATOM 0 HB2 LEU B 69 32.213 -1.795 -6.513 1.00 10.00 H new ATOM 0 HB3 LEU B 69 33.536 -2.835 -7.002 1.00 10.00 H new ATOM 0 HG LEU B 69 34.063 -1.226 -8.853 1.00 10.00 H new ATOM 0 HD11 LEU B 69 33.139 1.054 -8.757 1.00 10.00 H new ATOM 0 HD12 LEU B 69 31.887 -0.161 -9.108 1.00 10.00 H new ATOM 0 HD13 LEU B 69 32.015 0.539 -7.477 1.00 10.00 H new ATOM 0 HD21 LEU B 69 35.090 0.477 -7.366 1.00 10.00 H new ATOM 0 HD22 LEU B 69 34.062 -0.088 -6.027 1.00 10.00 H new ATOM 0 HD23 LEU B 69 35.292 -1.170 -6.723 1.00 10.00 H new ATOM 1622 N VAL B 70 32.346 -2.492 -10.738 1.00 10.00 N ATOM 1623 CA VAL B 70 33.063 -2.615 -11.987 1.00 10.00 C ATOM 1624 C VAL B 70 33.709 -1.240 -12.224 1.00 10.00 C ATOM 1625 O VAL B 70 33.069 -0.195 -12.015 1.00 10.00 O ATOM 1626 CB VAL B 70 32.084 -2.991 -13.163 1.00 10.00 C ATOM 1627 CG1 VAL B 70 32.777 -2.919 -14.531 1.00 10.00 C ATOM 1628 CG2 VAL B 70 31.443 -4.367 -12.927 1.00 10.00 C ATOM 0 H VAL B 70 31.580 -1.819 -10.766 1.00 10.00 H new ATOM 0 HA VAL B 70 33.810 -3.408 -11.948 1.00 10.00 H new ATOM 0 HB VAL B 70 31.286 -2.248 -13.174 1.00 10.00 H new ATOM 0 HG11 VAL B 70 32.066 -3.186 -15.313 1.00 10.00 H new ATOM 0 HG12 VAL B 70 33.141 -1.906 -14.702 1.00 10.00 H new ATOM 0 HG13 VAL B 70 33.616 -3.614 -14.551 1.00 10.00 H new ATOM 0 HG21 VAL B 70 30.772 -4.602 -13.753 1.00 10.00 H new ATOM 0 HG22 VAL B 70 32.223 -5.126 -12.866 1.00 10.00 H new ATOM 0 HG23 VAL B 70 30.879 -4.350 -11.995 1.00 10.00 H new ATOM 1638 N LEU B 71 34.963 -1.244 -12.654 1.00 10.00 N ATOM 1639 CA LEU B 71 35.713 -0.012 -12.826 1.00 10.00 C ATOM 1640 C LEU B 71 35.599 0.489 -14.270 1.00 10.00 C ATOM 1641 O LEU B 71 36.067 -0.171 -15.197 1.00 10.00 O ATOM 1642 CB LEU B 71 37.187 -0.236 -12.449 1.00 10.00 C ATOM 1643 CG LEU B 71 37.807 0.902 -11.652 1.00 10.00 C ATOM 1644 CD1 LEU B 71 37.555 0.670 -10.151 1.00 10.00 C ATOM 1645 CD2 LEU B 71 39.331 1.126 -12.014 1.00 10.00 C ATOM 0 H LEU B 71 35.482 -2.090 -12.890 1.00 10.00 H new ATOM 0 HA LEU B 71 35.294 0.748 -12.167 1.00 10.00 H new ATOM 0 HB2 LEU B 71 37.266 -1.156 -11.870 1.00 10.00 H new ATOM 0 HB3 LEU B 71 37.765 -0.383 -13.361 1.00 10.00 H new ATOM 0 HG LEU B 71 37.322 1.839 -11.927 1.00 10.00 H new ATOM 0 HD11 LEU B 71 37.998 1.484 -9.578 1.00 10.00 H new ATOM 0 HD12 LEU B 71 36.482 0.636 -9.963 1.00 10.00 H new ATOM 0 HD13 LEU B 71 38.006 -0.275 -9.848 1.00 10.00 H new ATOM 0 HD21 LEU B 71 39.729 1.948 -11.420 1.00 10.00 H new ATOM 0 HD22 LEU B 71 39.893 0.217 -11.799 1.00 10.00 H new ATOM 0 HD23 LEU B 71 39.422 1.367 -13.073 1.00 10.00 H new