USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 954 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 41 TYR OH : rot 36:sc= 1.24 USER MOD Set 1.2: B 74 HIS : no HE2:sc= 1.68 K(o=2.9,f=-6.2!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 61 GLN : amide:sc= -0.656! C(o=0.58!,f=-11!) USER MOD Set 3.1: A 24 MET CE :methyl 158:sc= 0 (180deg=-0.173) USER MOD Set 3.2: A 60 HIS : no HE2:sc= 0.321 K(o=0.32,f=-4.9!) USER MOD Set 4.1: A 14 THR OG1 : rot -36:sc= 1.24 USER MOD Set 4.2: A 16 SER OG : rot 64:sc= 0.328 USER MOD Single : A 21 SER OG : rot -90:sc= 1.25 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 2.25 (180deg=1.88) USER MOD Single : A 25 GLN : amide:sc= 1.18 K(o=1.2,f=-0.01) USER MOD Single : A 26 GLN : amide:sc= 0.62 K(o=0.62,f=-6.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.32 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl -165:sc= 0 (180deg=-0.0415) USER MOD Single : A 36 TYR OH : rot -122:sc= 1.31 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= 0.0825 (180deg=-1.32!) USER MOD Single : A 44 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.5) USER MOD Single : A 45 MET CE :methyl 180:sc= -0.98 (180deg=-0.98) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= 0.628 (180deg=-0.437!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -130:sc= -0.145 USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= 1.26 (180deg=-0.239) USER MOD Single : A 74 GLN : amide:sc= -0.0119 K(o=-0.012,f=-0.96) USER MOD Single : A 76 ASN : amide:sc= 1.17 K(o=1.2,f=-0.022) USER MOD Single : A 77 THR OG1 : rot 62:sc= 0.997 USER MOD Single : B 29 MET CE :methyl 173:sc= -0.537 (180deg=-0.614) USER MOD Single : B 30 SER OG : rot -35:sc= 1.18 USER MOD Single : B 47 HIS : no HD1:sc= -0.816 X(o=-0.82,f=-0.57) USER MOD Single : B 48 ASN : amide:sc= 0.345 K(o=0.35,f=-0.79) USER MOD Single : B 57 SER OG : rot 63:sc= 0.907 USER MOD Single : B 60 THR OG1 : rot -77:sc= 1.24 USER MOD Single : B 70 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 75 LYS NZ :NH3+ 158:sc= 1.29 (180deg=0.915) USER MOD Single : B 81 THR OG1 : rot 82:sc= -0.748! USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.652 -7.395 7.497 1.00 0.00 N ATOM 2 CA THR A 14 -15.275 -6.072 7.681 1.00 0.00 C ATOM 3 C THR A 14 -14.498 -5.017 6.909 1.00 0.00 C ATOM 4 O THR A 14 -13.373 -5.266 6.467 1.00 0.00 O ATOM 5 CB THR A 14 -15.311 -5.672 9.170 1.00 0.00 C ATOM 6 OG1 THR A 14 -13.977 -5.574 9.680 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.088 -6.688 9.995 1.00 0.00 C ATOM 0 HA THR A 14 -16.297 -6.134 7.307 1.00 0.00 H new ATOM 0 HB THR A 14 -15.811 -4.706 9.246 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.418 -6.266 9.269 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.096 -6.379 11.040 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.112 -6.749 9.627 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.613 -7.665 9.910 1.00 0.00 H new ATOM 15 N VAL A 15 -15.103 -3.848 6.748 1.00 0.00 N ATOM 16 CA VAL A 15 -14.466 -2.743 6.040 1.00 0.00 C ATOM 17 C VAL A 15 -13.161 -2.349 6.728 1.00 0.00 C ATOM 18 O VAL A 15 -12.158 -2.069 6.073 1.00 0.00 O ATOM 19 CB VAL A 15 -15.388 -1.508 5.969 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.766 -0.414 5.114 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.761 -1.887 5.435 1.00 0.00 C ATOM 0 H VAL A 15 -16.038 -3.639 7.099 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.261 -3.086 5.026 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.509 -1.122 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.435 0.446 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.811 -0.114 5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.605 -0.789 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.393 -1.000 5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.659 -2.306 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.216 -2.627 6.094 1.00 0.00 H new ATOM 31 N SER A 16 -13.180 -2.365 8.055 1.00 0.00 N ATOM 32 CA SER A 16 -12.015 -2.003 8.842 1.00 0.00 C ATOM 33 C SER A 16 -10.843 -2.946 8.571 1.00 0.00 C ATOM 34 O SER A 16 -9.745 -2.496 8.268 1.00 0.00 O ATOM 35 CB SER A 16 -12.378 -2.009 10.326 1.00 0.00 C ATOM 36 OG SER A 16 -13.644 -2.612 10.532 1.00 0.00 O ATOM 0 H SER A 16 -13.996 -2.627 8.608 1.00 0.00 H new ATOM 0 HA SER A 16 -11.700 -1.001 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.617 -2.549 10.889 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.391 -0.987 10.706 1.00 0.00 H new ATOM 0 HG SER A 16 -13.605 -3.554 10.266 1.00 0.00 H new ATOM 42 N GLU A 17 -11.089 -4.256 8.652 1.00 0.00 N ATOM 43 CA GLU A 17 -10.045 -5.260 8.420 1.00 0.00 C ATOM 44 C GLU A 17 -9.482 -5.170 6.998 1.00 0.00 C ATOM 45 O GLU A 17 -8.307 -5.459 6.764 1.00 0.00 O ATOM 46 CB GLU A 17 -10.596 -6.665 8.665 1.00 0.00 C ATOM 47 CG GLU A 17 -11.022 -6.919 10.102 1.00 0.00 C ATOM 48 CD GLU A 17 -12.041 -8.034 10.210 1.00 0.00 C ATOM 49 OE1 GLU A 17 -13.030 -8.005 9.448 1.00 0.00 O ATOM 50 OE2 GLU A 17 -11.863 -8.934 11.048 1.00 0.00 O ATOM 0 H GLU A 17 -12.004 -4.648 8.877 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.235 -5.058 9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.451 -6.829 8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.836 -7.396 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.146 -7.171 10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.441 -6.005 10.522 1.00 0.00 H new ATOM 57 N TRP A 18 -10.333 -4.770 6.062 1.00 0.00 N ATOM 58 CA TRP A 18 -9.945 -4.632 4.662 1.00 0.00 C ATOM 59 C TRP A 18 -8.997 -3.439 4.491 1.00 0.00 C ATOM 60 O TRP A 18 -8.021 -3.500 3.743 1.00 0.00 O ATOM 61 CB TRP A 18 -11.205 -4.458 3.802 1.00 0.00 C ATOM 62 CG TRP A 18 -10.924 -4.310 2.342 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.558 -5.295 1.476 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.994 -3.104 1.577 1.00 0.00 C ATOM 65 NE1 TRP A 18 -10.381 -4.774 0.219 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.641 -3.429 0.256 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.315 -1.779 1.883 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.602 -2.477 -0.759 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.277 -0.835 0.876 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.921 -1.187 -0.430 1.00 0.00 C ATOM 0 H TRP A 18 -11.307 -4.533 6.249 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.418 -5.529 4.338 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.857 -5.319 3.951 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.751 -3.580 4.148 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.426 -6.334 1.740 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -10.102 -5.302 -0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.588 -1.498 2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.330 -2.746 -1.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.526 0.192 1.100 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.897 -0.425 -1.195 1.00 0.00 H new ATOM 81 N LEU A 19 -9.296 -2.361 5.196 1.00 0.00 N ATOM 82 CA LEU A 19 -8.475 -1.156 5.143 1.00 0.00 C ATOM 83 C LEU A 19 -7.233 -1.306 6.016 1.00 0.00 C ATOM 84 O LEU A 19 -6.167 -0.775 5.705 1.00 0.00 O ATOM 85 CB LEU A 19 -9.293 0.067 5.570 1.00 0.00 C ATOM 86 CG LEU A 19 -10.156 0.669 4.463 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.119 1.700 5.031 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.275 1.294 3.394 1.00 0.00 C ATOM 0 H LEU A 19 -10.104 -2.293 5.815 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.147 -1.010 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.937 -0.215 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.612 0.833 5.940 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.744 -0.129 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.724 2.116 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.770 1.225 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.555 2.500 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.901 1.720 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.665 2.080 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.626 0.530 2.965 1.00 0.00 H new ATOM 100 N GLU A 20 -7.385 -2.034 7.108 1.00 0.00 N ATOM 101 CA GLU A 20 -6.303 -2.273 8.049 1.00 0.00 C ATOM 102 C GLU A 20 -5.161 -3.086 7.418 1.00 0.00 C ATOM 103 O GLU A 20 -3.993 -2.728 7.572 1.00 0.00 O ATOM 104 CB GLU A 20 -6.880 -2.977 9.284 1.00 0.00 C ATOM 105 CG GLU A 20 -5.854 -3.592 10.214 1.00 0.00 C ATOM 106 CD GLU A 20 -4.921 -2.569 10.824 1.00 0.00 C ATOM 107 OE1 GLU A 20 -5.399 -1.498 11.245 1.00 0.00 O ATOM 108 OE2 GLU A 20 -3.705 -2.841 10.893 1.00 0.00 O ATOM 0 H GLU A 20 -8.265 -2.478 7.369 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.865 -1.319 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.473 -2.258 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.561 -3.760 8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.369 -4.127 11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.268 -4.328 9.664 1.00 0.00 H new ATOM 115 N SER A 21 -5.496 -4.156 6.698 1.00 0.00 N ATOM 116 CA SER A 21 -4.488 -5.016 6.065 1.00 0.00 C ATOM 117 C SER A 21 -3.521 -4.227 5.168 1.00 0.00 C ATOM 118 O SER A 21 -2.321 -4.493 5.169 1.00 0.00 O ATOM 119 CB SER A 21 -5.177 -6.141 5.279 1.00 0.00 C ATOM 120 OG SER A 21 -6.455 -5.734 4.829 1.00 0.00 O ATOM 0 H SER A 21 -6.459 -4.451 6.536 1.00 0.00 H new ATOM 0 HA SER A 21 -3.883 -5.454 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.560 -6.425 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.274 -7.024 5.910 1.00 0.00 H new ATOM 0 HG SER A 21 -7.128 -5.962 5.504 1.00 0.00 H new ATOM 126 N ILE A 22 -4.031 -3.256 4.412 1.00 0.00 N ATOM 127 CA ILE A 22 -3.163 -2.447 3.545 1.00 0.00 C ATOM 128 C ILE A 22 -2.604 -1.231 4.277 1.00 0.00 C ATOM 129 O ILE A 22 -1.954 -0.383 3.673 1.00 0.00 O ATOM 130 CB ILE A 22 -3.891 -1.966 2.277 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.372 -1.695 2.566 1.00 0.00 C ATOM 132 CG2 ILE A 22 -3.723 -2.986 1.165 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.132 -1.124 1.388 1.00 0.00 C ATOM 0 H ILE A 22 -5.020 -3.010 4.378 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.343 -3.104 3.256 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.446 -1.026 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.848 -2.625 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.448 -1.003 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.241 -2.638 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.663 -3.112 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.144 -3.941 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.172 -0.960 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.683 -0.176 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.089 -1.824 0.554 1.00 0.00 H new ATOM 145 N LYS A 23 -2.893 -1.154 5.571 1.00 0.00 N ATOM 146 CA LYS A 23 -2.435 -0.070 6.438 1.00 0.00 C ATOM 147 C LYS A 23 -3.090 1.265 6.076 1.00 0.00 C ATOM 148 O LYS A 23 -2.490 2.326 6.206 1.00 0.00 O ATOM 149 CB LYS A 23 -0.900 0.052 6.431 1.00 0.00 C ATOM 150 CG LYS A 23 -0.198 -1.065 7.201 1.00 0.00 C ATOM 151 CD LYS A 23 -0.457 -0.958 8.702 1.00 0.00 C ATOM 152 CE LYS A 23 0.184 -2.093 9.492 1.00 0.00 C ATOM 153 NZ LYS A 23 0.705 -1.599 10.794 1.00 0.00 N ATOM 0 H LYS A 23 -3.459 -1.851 6.055 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.745 -0.325 7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.548 0.049 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.618 1.013 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.546 -2.032 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.875 -1.021 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.072 -0.005 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.532 -0.957 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.548 -2.882 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.996 -2.532 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.337 -2.313 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.232 -0.715 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.090 -1.423 11.441 1.00 0.00 H new ATOM 167 N MET A 24 -4.347 1.215 5.657 1.00 0.00 N ATOM 168 CA MET A 24 -5.079 2.426 5.310 1.00 0.00 C ATOM 169 C MET A 24 -6.217 2.604 6.307 1.00 0.00 C ATOM 170 O MET A 24 -7.230 3.243 6.021 1.00 0.00 O ATOM 171 CB MET A 24 -5.613 2.364 3.865 1.00 0.00 C ATOM 172 CG MET A 24 -4.559 2.029 2.814 1.00 0.00 C ATOM 173 SD MET A 24 -3.443 3.403 2.466 1.00 0.00 S ATOM 174 CE MET A 24 -1.970 2.521 1.928 1.00 0.00 C ATOM 0 H MET A 24 -4.880 0.352 5.549 1.00 0.00 H new ATOM 0 HA MET A 24 -4.408 3.283 5.361 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.406 1.618 3.816 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.063 3.325 3.616 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.976 1.173 3.153 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.057 1.731 1.891 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.350 3.183 1.324 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.405 2.190 2.800 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.261 1.655 1.334 1.00 0.00 H new ATOM 184 N GLN A 25 -6.018 2.036 7.497 1.00 0.00 N ATOM 185 CA GLN A 25 -6.994 2.076 8.581 1.00 0.00 C ATOM 186 C GLN A 25 -7.435 3.501 8.942 1.00 0.00 C ATOM 187 O GLN A 25 -8.563 3.693 9.414 1.00 0.00 O ATOM 188 CB GLN A 25 -6.432 1.377 9.828 1.00 0.00 C ATOM 189 CG GLN A 25 -4.957 1.660 10.079 1.00 0.00 C ATOM 190 CD GLN A 25 -4.645 1.945 11.536 1.00 0.00 C ATOM 191 OE1 GLN A 25 -4.557 3.098 11.959 1.00 0.00 O ATOM 192 NE2 GLN A 25 -4.497 0.890 12.314 1.00 0.00 N ATOM 0 H GLN A 25 -5.165 1.530 7.736 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.878 1.549 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.006 1.692 10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.574 0.301 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.368 0.805 9.748 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.649 2.513 9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.578 -0.048 11.922 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.302 1.012 13.308 1.00 0.00 H new ATOM 201 N GLN A 26 -6.590 4.505 8.716 1.00 0.00 N ATOM 202 CA GLN A 26 -6.934 5.881 9.061 1.00 0.00 C ATOM 203 C GLN A 26 -7.797 6.537 7.985 1.00 0.00 C ATOM 204 O GLN A 26 -8.258 7.663 8.143 1.00 0.00 O ATOM 205 CB GLN A 26 -5.650 6.717 9.286 1.00 0.00 C ATOM 206 CG GLN A 26 -4.726 6.841 8.066 1.00 0.00 C ATOM 207 CD GLN A 26 -3.654 5.762 8.005 1.00 0.00 C ATOM 208 OE1 GLN A 26 -3.831 4.659 8.517 1.00 0.00 O ATOM 209 NE2 GLN A 26 -2.535 6.072 7.366 1.00 0.00 N ATOM 0 H GLN A 26 -5.667 4.392 8.297 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.514 5.850 9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.939 7.718 9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.085 6.272 10.105 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.328 6.796 7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.245 7.819 8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.423 6.998 6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.786 5.385 7.287 1.00 0.00 H new ATOM 218 N TYR A 27 -8.025 5.826 6.892 1.00 0.00 N ATOM 219 CA TYR A 27 -8.828 6.359 5.802 1.00 0.00 C ATOM 220 C TYR A 27 -10.264 5.870 5.915 1.00 0.00 C ATOM 221 O TYR A 27 -11.103 6.177 5.071 1.00 0.00 O ATOM 222 CB TYR A 27 -8.242 5.951 4.449 1.00 0.00 C ATOM 223 CG TYR A 27 -6.951 6.657 4.097 1.00 0.00 C ATOM 224 CD1 TYR A 27 -6.952 7.958 3.606 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.729 6.025 4.270 1.00 0.00 C ATOM 226 CE1 TYR A 27 -5.770 8.605 3.298 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.541 6.663 3.960 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.567 7.955 3.478 1.00 0.00 C ATOM 229 OH TYR A 27 -3.392 8.611 3.178 1.00 0.00 O ATOM 0 H TYR A 27 -7.668 4.883 6.736 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.818 7.447 5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.067 4.875 4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.978 6.153 3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.891 8.471 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.704 5.016 4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.788 9.616 2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.599 6.152 4.095 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.632 8.020 3.359 1.00 0.00 H new ATOM 239 N THR A 28 -10.538 5.113 6.972 1.00 0.00 N ATOM 240 CA THR A 28 -11.871 4.563 7.202 1.00 0.00 C ATOM 241 C THR A 28 -12.908 5.666 7.443 1.00 0.00 C ATOM 242 O THR A 28 -14.076 5.527 7.074 1.00 0.00 O ATOM 243 CB THR A 28 -11.867 3.566 8.382 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.719 2.710 8.295 1.00 0.00 O ATOM 245 CG2 THR A 28 -13.128 2.719 8.375 1.00 0.00 C ATOM 0 H THR A 28 -9.853 4.865 7.686 1.00 0.00 H new ATOM 0 HA THR A 28 -12.155 4.028 6.296 1.00 0.00 H new ATOM 0 HB THR A 28 -11.831 4.136 9.310 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.963 3.128 8.759 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.104 2.024 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.001 3.366 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.185 2.159 7.442 1.00 0.00 H new ATOM 253 N GLU A 29 -12.462 6.760 8.056 1.00 0.00 N ATOM 254 CA GLU A 29 -13.318 7.903 8.355 1.00 0.00 C ATOM 255 C GLU A 29 -13.909 8.451 7.064 1.00 0.00 C ATOM 256 O GLU A 29 -15.118 8.613 6.923 1.00 0.00 O ATOM 257 CB GLU A 29 -12.474 8.977 9.044 1.00 0.00 C ATOM 258 CG GLU A 29 -11.705 8.473 10.245 1.00 0.00 C ATOM 259 CD GLU A 29 -10.715 9.497 10.736 1.00 0.00 C ATOM 260 OE1 GLU A 29 -11.119 10.438 11.448 1.00 0.00 O ATOM 261 OE2 GLU A 29 -9.522 9.368 10.413 1.00 0.00 O ATOM 0 H GLU A 29 -11.495 6.878 8.359 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.134 7.600 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.771 9.392 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.126 9.792 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.401 8.225 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.180 7.554 9.983 1.00 0.00 H new ATOM 268 N HIS A 30 -13.025 8.705 6.114 1.00 0.00 N ATOM 269 CA HIS A 30 -13.412 9.216 4.804 1.00 0.00 C ATOM 270 C HIS A 30 -14.363 8.246 4.094 1.00 0.00 C ATOM 271 O HIS A 30 -15.325 8.671 3.454 1.00 0.00 O ATOM 272 CB HIS A 30 -12.176 9.476 3.942 1.00 0.00 C ATOM 273 CG HIS A 30 -11.502 10.780 4.251 1.00 0.00 C ATOM 274 ND1 HIS A 30 -10.396 10.929 5.069 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.816 12.024 3.820 1.00 0.00 C ATOM 276 CE1 HIS A 30 -10.087 12.233 5.103 1.00 0.00 C ATOM 277 NE2 HIS A 30 -10.917 12.938 4.359 1.00 0.00 N ATOM 0 H HIS A 30 -12.021 8.564 6.226 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.938 10.159 4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.464 8.664 4.086 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.465 9.464 2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.636 12.268 3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.266 12.651 5.666 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.903 13.947 4.210 1.00 0.00 H new ATOM 285 N PHE A 31 -14.096 6.945 4.213 1.00 0.00 N ATOM 286 CA PHE A 31 -14.947 5.920 3.596 1.00 0.00 C ATOM 287 C PHE A 31 -16.365 5.974 4.179 1.00 0.00 C ATOM 288 O PHE A 31 -17.353 5.834 3.453 1.00 0.00 O ATOM 289 CB PHE A 31 -14.355 4.529 3.833 1.00 0.00 C ATOM 290 CG PHE A 31 -13.415 4.046 2.765 1.00 0.00 C ATOM 291 CD1 PHE A 31 -12.149 4.589 2.636 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.785 3.010 1.921 1.00 0.00 C ATOM 293 CE1 PHE A 31 -11.269 4.114 1.683 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.911 2.534 0.959 1.00 0.00 C ATOM 295 CZ PHE A 31 -11.650 3.086 0.844 1.00 0.00 C ATOM 0 H PHE A 31 -13.299 6.574 4.730 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.994 6.117 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.826 4.534 4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.173 3.814 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.845 5.394 3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.766 2.569 2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.283 4.547 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -13.214 1.734 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.963 2.714 0.099 1.00 0.00 H new ATOM 305 N MET A 32 -16.440 6.158 5.500 1.00 0.00 N ATOM 306 CA MET A 32 -17.707 6.248 6.225 1.00 0.00 C ATOM 307 C MET A 32 -18.539 7.435 5.753 1.00 0.00 C ATOM 308 O MET A 32 -19.742 7.306 5.520 1.00 0.00 O ATOM 309 CB MET A 32 -17.437 6.379 7.729 1.00 0.00 C ATOM 310 CG MET A 32 -17.020 5.083 8.402 1.00 0.00 C ATOM 311 SD MET A 32 -16.735 5.286 10.171 1.00 0.00 S ATOM 312 CE MET A 32 -16.419 3.588 10.656 1.00 0.00 C ATOM 0 H MET A 32 -15.619 6.249 6.098 1.00 0.00 H new ATOM 0 HA MET A 32 -18.271 5.337 6.026 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.655 7.123 7.883 1.00 0.00 H new ATOM 0 HB3 MET A 32 -18.336 6.756 8.217 1.00 0.00 H new ATOM 0 HG2 MET A 32 -17.793 4.331 8.246 1.00 0.00 H new ATOM 0 HG3 MET A 32 -16.111 4.709 7.931 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.488 3.500 11.740 1.00 0.00 H new ATOM 0 HE2 MET A 32 -17.157 2.934 10.191 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.420 3.297 10.331 1.00 0.00 H new ATOM 322 N ALA A 33 -17.906 8.593 5.605 1.00 0.00 N ATOM 323 CA ALA A 33 -18.615 9.784 5.165 1.00 0.00 C ATOM 324 C ALA A 33 -19.002 9.670 3.698 1.00 0.00 C ATOM 325 O ALA A 33 -19.958 10.293 3.244 1.00 0.00 O ATOM 326 CB ALA A 33 -17.763 11.016 5.402 1.00 0.00 C ATOM 0 H ALA A 33 -16.911 8.730 5.782 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.531 9.878 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -18.304 11.902 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -17.540 11.105 6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.832 10.928 4.842 1.00 0.00 H new ATOM 332 N ALA A 34 -18.258 8.861 2.964 1.00 0.00 N ATOM 333 CA ALA A 34 -18.532 8.648 1.555 1.00 0.00 C ATOM 334 C ALA A 34 -19.763 7.768 1.378 1.00 0.00 C ATOM 335 O ALA A 34 -20.390 7.760 0.320 1.00 0.00 O ATOM 336 CB ALA A 34 -17.326 8.025 0.889 1.00 0.00 C ATOM 0 H ALA A 34 -17.458 8.340 3.322 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.735 9.609 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.536 7.867 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.469 8.690 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -17.103 7.069 1.362 1.00 0.00 H new ATOM 342 N GLY A 35 -20.099 7.031 2.429 1.00 0.00 N ATOM 343 CA GLY A 35 -21.259 6.166 2.393 1.00 0.00 C ATOM 344 C GLY A 35 -20.895 4.706 2.234 1.00 0.00 C ATOM 345 O GLY A 35 -21.771 3.842 2.192 1.00 0.00 O ATOM 0 H GLY A 35 -19.585 7.018 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.832 6.295 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.906 6.467 1.569 1.00 0.00 H new ATOM 349 N TYR A 36 -19.604 4.422 2.164 1.00 0.00 N ATOM 350 CA TYR A 36 -19.134 3.057 2.000 1.00 0.00 C ATOM 351 C TYR A 36 -18.845 2.430 3.356 1.00 0.00 C ATOM 352 O TYR A 36 -17.691 2.259 3.745 1.00 0.00 O ATOM 353 CB TYR A 36 -17.885 3.033 1.121 1.00 0.00 C ATOM 354 CG TYR A 36 -18.099 3.681 -0.227 1.00 0.00 C ATOM 355 CD1 TYR A 36 -18.921 3.092 -1.175 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.485 4.883 -0.549 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.128 3.679 -2.407 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.686 5.478 -1.779 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.508 4.871 -2.703 1.00 0.00 C ATOM 360 OH TYR A 36 -18.712 5.458 -3.930 1.00 0.00 O ATOM 0 H TYR A 36 -18.863 5.120 2.218 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.914 2.473 1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -17.073 3.544 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.570 2.000 0.975 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.409 2.156 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.840 5.361 0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -19.772 3.206 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.202 6.414 -2.015 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.852 5.571 -4.385 1.00 0.00 H new ATOM 370 N THR A 37 -19.905 2.100 4.074 1.00 0.00 N ATOM 371 CA THR A 37 -19.781 1.497 5.390 1.00 0.00 C ATOM 372 C THR A 37 -20.042 -0.001 5.331 1.00 0.00 C ATOM 373 O THR A 37 -20.242 -0.651 6.357 1.00 0.00 O ATOM 374 CB THR A 37 -20.769 2.142 6.373 1.00 0.00 C ATOM 375 OG1 THR A 37 -21.867 2.713 5.648 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.091 3.217 7.204 1.00 0.00 C ATOM 0 H THR A 37 -20.867 2.241 3.765 1.00 0.00 H new ATOM 0 HA THR A 37 -18.761 1.666 5.735 1.00 0.00 H new ATOM 0 HB THR A 37 -21.135 1.368 7.048 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.497 3.122 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.814 3.656 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 37 -19.273 2.775 7.773 1.00 0.00 H new ATOM 0 HG23 THR A 37 -19.699 3.992 6.546 1.00 0.00 H new ATOM 384 N ALA A 38 -20.049 -0.542 4.122 1.00 0.00 N ATOM 385 CA ALA A 38 -20.288 -1.959 3.924 1.00 0.00 C ATOM 386 C ALA A 38 -19.532 -2.458 2.699 1.00 0.00 C ATOM 387 O ALA A 38 -19.367 -1.728 1.722 1.00 0.00 O ATOM 388 CB ALA A 38 -21.776 -2.237 3.803 1.00 0.00 C ATOM 0 H ALA A 38 -19.891 -0.017 3.262 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.917 -2.502 4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.936 -3.305 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -22.281 -1.917 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -22.181 -1.688 2.953 1.00 0.00 H new ATOM 394 N ILE A 39 -19.079 -3.706 2.771 1.00 0.00 N ATOM 395 CA ILE A 39 -18.304 -4.338 1.703 1.00 0.00 C ATOM 396 C ILE A 39 -18.994 -4.275 0.337 1.00 0.00 C ATOM 397 O ILE A 39 -18.350 -3.964 -0.667 1.00 0.00 O ATOM 398 CB ILE A 39 -18.002 -5.816 2.047 1.00 0.00 C ATOM 399 CG1 ILE A 39 -17.224 -5.913 3.367 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.227 -6.495 0.922 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.844 -5.290 3.317 1.00 0.00 C ATOM 0 H ILE A 39 -19.239 -4.312 3.575 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.377 -3.769 1.632 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.954 -6.335 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.802 -5.428 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.127 -6.963 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.029 -7.532 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.815 -6.464 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.282 -5.974 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.360 -5.400 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.247 -5.790 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.931 -4.231 3.073 1.00 0.00 H new ATOM 413 N GLU A 40 -20.298 -4.537 0.299 1.00 0.00 N ATOM 414 CA GLU A 40 -21.033 -4.532 -0.967 1.00 0.00 C ATOM 415 C GLU A 40 -21.049 -3.143 -1.600 1.00 0.00 C ATOM 416 O GLU A 40 -21.163 -3.012 -2.818 1.00 0.00 O ATOM 417 CB GLU A 40 -22.472 -5.050 -0.804 1.00 0.00 C ATOM 418 CG GLU A 40 -22.910 -5.319 0.630 1.00 0.00 C ATOM 419 CD GLU A 40 -23.506 -4.099 1.299 1.00 0.00 C ATOM 420 OE1 GLU A 40 -22.965 -2.992 1.123 1.00 0.00 O ATOM 421 OE2 GLU A 40 -24.525 -4.243 2.004 1.00 0.00 O ATOM 0 H GLU A 40 -20.864 -4.753 1.119 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.502 -5.213 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.154 -4.323 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.576 -5.972 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.643 -6.126 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.053 -5.663 1.209 1.00 0.00 H new ATOM 428 N LYS A 41 -20.953 -2.112 -0.777 1.00 0.00 N ATOM 429 CA LYS A 41 -20.935 -0.744 -1.272 1.00 0.00 C ATOM 430 C LYS A 41 -19.525 -0.334 -1.669 1.00 0.00 C ATOM 431 O LYS A 41 -19.333 0.404 -2.634 1.00 0.00 O ATOM 432 CB LYS A 41 -21.489 0.207 -0.215 1.00 0.00 C ATOM 433 CG LYS A 41 -22.990 0.082 -0.034 1.00 0.00 C ATOM 434 CD LYS A 41 -23.420 0.467 1.370 1.00 0.00 C ATOM 435 CE LYS A 41 -24.841 0.011 1.657 1.00 0.00 C ATOM 436 NZ LYS A 41 -25.089 -1.378 1.182 1.00 0.00 N ATOM 0 H LYS A 41 -20.886 -2.196 0.237 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.568 -0.689 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.996 0.010 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.246 1.232 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.498 0.719 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.297 -0.943 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.739 0.022 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.352 1.548 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -25.030 0.066 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.544 0.690 1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.862 -1.801 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.353 -1.359 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.226 -1.946 1.303 1.00 0.00 H new ATOM 450 N VAL A 42 -18.540 -0.834 -0.934 1.00 0.00 N ATOM 451 CA VAL A 42 -17.141 -0.522 -1.203 1.00 0.00 C ATOM 452 C VAL A 42 -16.741 -0.959 -2.613 1.00 0.00 C ATOM 453 O VAL A 42 -15.995 -0.267 -3.298 1.00 0.00 O ATOM 454 CB VAL A 42 -16.205 -1.195 -0.168 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.743 -0.984 -0.531 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.478 -0.666 1.232 1.00 0.00 C ATOM 0 H VAL A 42 -18.685 -1.461 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.033 0.560 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.411 -2.265 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.110 -1.467 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.545 -1.417 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.524 0.084 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.809 -1.153 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.309 0.411 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.512 -0.876 1.505 1.00 0.00 H new ATOM 466 N VAL A 43 -17.273 -2.089 -3.061 1.00 0.00 N ATOM 467 CA VAL A 43 -16.944 -2.607 -4.387 1.00 0.00 C ATOM 468 C VAL A 43 -17.688 -1.867 -5.502 1.00 0.00 C ATOM 469 O VAL A 43 -17.439 -2.113 -6.685 1.00 0.00 O ATOM 470 CB VAL A 43 -17.236 -4.119 -4.501 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.419 -4.897 -3.481 1.00 0.00 C ATOM 472 CG2 VAL A 43 -18.722 -4.406 -4.336 1.00 0.00 C ATOM 0 H VAL A 43 -17.930 -2.662 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.874 -2.439 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.944 -4.446 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.637 -5.961 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.357 -4.727 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.676 -4.561 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.897 -5.478 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -19.053 -4.061 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.282 -3.884 -5.112 1.00 0.00 H new ATOM 482 N GLN A 44 -18.587 -0.960 -5.130 1.00 0.00 N ATOM 483 CA GLN A 44 -19.353 -0.200 -6.113 1.00 0.00 C ATOM 484 C GLN A 44 -18.559 1.004 -6.602 1.00 0.00 C ATOM 485 O GLN A 44 -18.799 1.511 -7.698 1.00 0.00 O ATOM 486 CB GLN A 44 -20.683 0.267 -5.519 1.00 0.00 C ATOM 487 CG GLN A 44 -21.599 -0.871 -5.106 1.00 0.00 C ATOM 488 CD GLN A 44 -22.854 -0.391 -4.404 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.348 0.705 -4.668 1.00 0.00 O ATOM 490 NE2 GLN A 44 -23.376 -1.208 -3.504 1.00 0.00 N ATOM 0 H GLN A 44 -18.802 -0.734 -4.159 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.555 -0.857 -6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.483 0.894 -4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.199 0.890 -6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.879 -1.444 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.056 -1.547 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.935 -2.108 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.220 -0.938 -2.999 1.00 0.00 H new ATOM 499 N MET A 45 -17.623 1.461 -5.779 1.00 0.00 N ATOM 500 CA MET A 45 -16.786 2.608 -6.122 1.00 0.00 C ATOM 501 C MET A 45 -15.892 2.311 -7.328 1.00 0.00 C ATOM 502 O MET A 45 -15.902 1.204 -7.872 1.00 0.00 O ATOM 503 CB MET A 45 -15.925 3.026 -4.924 1.00 0.00 C ATOM 504 CG MET A 45 -14.738 2.110 -4.660 1.00 0.00 C ATOM 505 SD MET A 45 -13.589 2.786 -3.446 1.00 0.00 S ATOM 506 CE MET A 45 -14.690 3.118 -2.073 1.00 0.00 C ATOM 0 H MET A 45 -17.423 1.054 -4.865 1.00 0.00 H new ATOM 0 HA MET A 45 -17.452 3.429 -6.387 1.00 0.00 H new ATOM 0 HB2 MET A 45 -15.558 4.039 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.552 3.056 -4.033 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.102 1.144 -4.310 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.208 1.932 -5.595 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.121 3.540 -1.245 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.457 3.826 -2.385 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.162 2.189 -1.753 1.00 0.00 H new ATOM 516 N THR A 46 -15.105 3.297 -7.728 1.00 0.00 N ATOM 517 CA THR A 46 -14.215 3.143 -8.862 1.00 0.00 C ATOM 518 C THR A 46 -12.869 3.800 -8.564 1.00 0.00 C ATOM 519 O THR A 46 -12.700 4.421 -7.515 1.00 0.00 O ATOM 520 CB THR A 46 -14.835 3.726 -10.155 1.00 0.00 C ATOM 521 OG1 THR A 46 -13.992 3.448 -11.282 1.00 0.00 O ATOM 522 CG2 THR A 46 -15.055 5.230 -10.042 1.00 0.00 C ATOM 0 H THR A 46 -15.066 4.213 -7.282 1.00 0.00 H new ATOM 0 HA THR A 46 -14.060 2.077 -9.028 1.00 0.00 H new ATOM 0 HB THR A 46 -15.804 3.248 -10.297 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.397 3.821 -12.093 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.491 5.604 -10.968 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.731 5.438 -9.212 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.100 5.725 -9.865 1.00 0.00 H new ATOM 530 N ASN A 47 -11.928 3.663 -9.491 1.00 0.00 N ATOM 531 CA ASN A 47 -10.586 4.221 -9.333 1.00 0.00 C ATOM 532 C ASN A 47 -10.626 5.713 -9.017 1.00 0.00 C ATOM 533 O ASN A 47 -10.023 6.164 -8.041 1.00 0.00 O ATOM 534 CB ASN A 47 -9.766 3.976 -10.605 1.00 0.00 C ATOM 535 CG ASN A 47 -9.189 2.574 -10.661 1.00 0.00 C ATOM 536 OD1 ASN A 47 -9.880 1.618 -11.013 1.00 0.00 O ATOM 537 ND2 ASN A 47 -7.913 2.443 -10.331 1.00 0.00 N ATOM 0 H ASN A 47 -12.070 3.165 -10.370 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.114 3.717 -8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.397 4.141 -11.478 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.955 4.702 -10.656 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.469 1.525 -10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.374 3.260 -10.044 1.00 0.00 H new ATOM 544 N ASP A 48 -11.342 6.474 -9.842 1.00 0.00 N ATOM 545 CA ASP A 48 -11.467 7.922 -9.661 1.00 0.00 C ATOM 546 C ASP A 48 -12.084 8.267 -8.311 1.00 0.00 C ATOM 547 O ASP A 48 -11.682 9.231 -7.661 1.00 0.00 O ATOM 548 CB ASP A 48 -12.324 8.526 -10.781 1.00 0.00 C ATOM 549 CG ASP A 48 -12.434 10.037 -10.682 1.00 0.00 C ATOM 550 OD1 ASP A 48 -11.458 10.732 -11.040 1.00 0.00 O ATOM 551 OD2 ASP A 48 -13.494 10.534 -10.259 1.00 0.00 O ATOM 0 H ASP A 48 -11.849 6.110 -10.649 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.463 8.344 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.894 8.259 -11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.322 8.090 -10.745 1.00 0.00 H new ATOM 556 N ASP A 49 -13.033 7.444 -7.874 1.00 0.00 N ATOM 557 CA ASP A 49 -13.735 7.676 -6.614 1.00 0.00 C ATOM 558 C ASP A 49 -12.776 7.627 -5.428 1.00 0.00 C ATOM 559 O ASP A 49 -12.893 8.416 -4.488 1.00 0.00 O ATOM 560 CB ASP A 49 -14.861 6.659 -6.426 1.00 0.00 C ATOM 561 CG ASP A 49 -15.811 7.069 -5.322 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.035 8.282 -5.152 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.337 6.184 -4.627 1.00 0.00 O ATOM 0 H ASP A 49 -13.335 6.608 -8.375 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.170 8.675 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.413 6.552 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.434 5.683 -6.194 1.00 0.00 H new ATOM 568 N ILE A 50 -11.807 6.719 -5.490 1.00 0.00 N ATOM 569 CA ILE A 50 -10.786 6.584 -4.455 1.00 0.00 C ATOM 570 C ILE A 50 -9.993 7.860 -4.307 1.00 0.00 C ATOM 571 O ILE A 50 -9.415 8.140 -3.261 1.00 0.00 O ATOM 572 CB ILE A 50 -9.851 5.337 -4.727 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.553 3.950 -4.574 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.571 5.334 -3.834 1.00 0.00 C ATOM 575 CD1 ILE A 50 -9.754 2.731 -5.082 1.00 0.00 C ATOM 0 H ILE A 50 -11.707 6.056 -6.259 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.291 6.403 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.577 5.463 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.784 3.795 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.503 3.985 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.968 4.456 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.989 6.235 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.860 5.310 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.337 1.823 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.546 2.850 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.815 2.658 -4.534 1.00 0.00 H new ATOM 587 N LYS A 51 -9.897 8.584 -5.405 1.00 0.00 N ATOM 588 CA LYS A 51 -9.146 9.827 -5.430 1.00 0.00 C ATOM 589 C LYS A 51 -10.013 11.009 -4.991 1.00 0.00 C ATOM 590 O LYS A 51 -9.503 12.088 -4.686 1.00 0.00 O ATOM 591 CB LYS A 51 -8.613 10.077 -6.841 1.00 0.00 C ATOM 592 CG LYS A 51 -7.971 8.855 -7.475 1.00 0.00 C ATOM 593 CD LYS A 51 -7.718 9.061 -8.959 1.00 0.00 C ATOM 594 CE LYS A 51 -6.578 10.034 -9.209 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.268 9.340 -9.236 1.00 0.00 N ATOM 0 H LYS A 51 -10.330 8.333 -6.294 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.315 9.736 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.432 10.416 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.881 10.884 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.029 8.636 -6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.617 7.989 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.486 8.103 -9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.625 9.435 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.738 10.548 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.571 10.796 -8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.504 10.036 -9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.226 8.647 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.153 8.850 -10.146 1.00 0.00 H new ATOM 609 N ARG A 52 -11.317 10.794 -4.944 1.00 0.00 N ATOM 610 CA ARG A 52 -12.255 11.837 -4.561 1.00 0.00 C ATOM 611 C ARG A 52 -12.514 11.810 -3.055 1.00 0.00 C ATOM 612 O ARG A 52 -12.628 12.858 -2.411 1.00 0.00 O ATOM 613 CB ARG A 52 -13.569 11.634 -5.318 1.00 0.00 C ATOM 614 CG ARG A 52 -14.675 12.582 -4.886 1.00 0.00 C ATOM 615 CD ARG A 52 -16.014 12.219 -5.517 1.00 0.00 C ATOM 616 NE ARG A 52 -16.525 10.933 -5.031 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.677 10.765 -4.377 1.00 0.00 C ATOM 618 NH1 ARG A 52 -18.447 11.805 -4.066 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.047 9.542 -4.030 1.00 0.00 N ATOM 0 H ARG A 52 -11.753 9.900 -5.168 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.827 12.807 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.387 11.764 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.906 10.607 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.768 12.561 -3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.408 13.602 -5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.740 13.002 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.904 12.178 -6.601 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.957 10.104 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.160 12.748 -4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.324 11.659 -3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.455 8.745 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.924 9.397 -3.530 1.00 0.00 H new ATOM 633 N ILE A 53 -12.593 10.597 -2.503 1.00 0.00 N ATOM 634 CA ILE A 53 -12.859 10.386 -1.070 1.00 0.00 C ATOM 635 C ILE A 53 -11.680 10.799 -0.183 1.00 0.00 C ATOM 636 O ILE A 53 -11.643 10.473 1.002 1.00 0.00 O ATOM 637 CB ILE A 53 -13.226 8.915 -0.760 1.00 0.00 C ATOM 638 CG1 ILE A 53 -12.088 7.967 -1.156 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.504 8.524 -1.483 1.00 0.00 C ATOM 640 CD1 ILE A 53 -12.356 6.518 -0.798 1.00 0.00 C ATOM 0 H ILE A 53 -12.475 9.733 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.709 11.027 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.385 8.829 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.920 8.043 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.169 8.290 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.748 7.487 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.319 9.169 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.362 8.635 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.510 5.904 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.495 6.429 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.257 6.178 -1.309 1.00 0.00 H new ATOM 652 N GLY A 54 -10.715 11.491 -0.762 1.00 0.00 N ATOM 653 CA GLY A 54 -9.582 11.961 0.005 1.00 0.00 C ATOM 654 C GLY A 54 -8.256 11.586 -0.613 1.00 0.00 C ATOM 655 O GLY A 54 -7.665 12.394 -1.326 1.00 0.00 O ATOM 0 H GLY A 54 -10.695 11.737 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.639 13.045 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.636 11.550 1.013 1.00 0.00 H new ATOM 659 N VAL A 55 -7.790 10.371 -0.293 1.00 0.00 N ATOM 660 CA VAL A 55 -6.522 9.806 -0.786 1.00 0.00 C ATOM 661 C VAL A 55 -6.044 10.417 -2.104 1.00 0.00 C ATOM 662 O VAL A 55 -6.507 10.045 -3.183 1.00 0.00 O ATOM 663 CB VAL A 55 -6.641 8.274 -0.976 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.268 7.630 -1.079 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.439 7.646 0.161 1.00 0.00 C ATOM 0 H VAL A 55 -8.293 9.738 0.329 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.785 10.049 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.174 8.095 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.380 6.554 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.733 8.047 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.705 7.826 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.509 6.569 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.939 7.844 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.441 8.075 0.183 1.00 0.00 H new ATOM 675 N ARG A 56 -5.115 11.365 -2.009 1.00 0.00 N ATOM 676 CA ARG A 56 -4.576 12.012 -3.195 1.00 0.00 C ATOM 677 C ARG A 56 -3.259 11.365 -3.603 1.00 0.00 C ATOM 678 O ARG A 56 -2.747 11.611 -4.693 1.00 0.00 O ATOM 679 CB ARG A 56 -4.385 13.515 -2.951 1.00 0.00 C ATOM 680 CG ARG A 56 -3.323 13.854 -1.910 1.00 0.00 C ATOM 681 CD ARG A 56 -2.013 14.299 -2.552 1.00 0.00 C ATOM 682 NE ARG A 56 -1.040 14.746 -1.553 1.00 0.00 N ATOM 683 CZ ARG A 56 0.262 14.926 -1.791 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.767 14.683 -2.996 1.00 0.00 N ATOM 685 NH2 ARG A 56 1.059 15.349 -0.820 1.00 0.00 N ATOM 0 H ARG A 56 -4.724 11.698 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.289 11.885 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.118 13.993 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.336 13.943 -2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.694 14.645 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.141 12.982 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.591 13.474 -3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.210 15.108 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.380 14.933 -0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.159 14.357 -3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.762 14.823 -3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.678 15.537 0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.053 15.487 -1.000 1.00 0.00 H new ATOM 699 N LEU A 57 -2.720 10.531 -2.721 1.00 0.00 N ATOM 700 CA LEU A 57 -1.461 9.851 -2.988 1.00 0.00 C ATOM 701 C LEU A 57 -1.692 8.667 -3.930 1.00 0.00 C ATOM 702 O LEU A 57 -2.464 7.760 -3.614 1.00 0.00 O ATOM 703 CB LEU A 57 -0.810 9.381 -1.679 1.00 0.00 C ATOM 704 CG LEU A 57 -0.352 10.497 -0.726 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.289 9.920 0.531 1.00 0.00 C ATOM 706 CD2 LEU A 57 0.622 11.433 -1.417 1.00 0.00 C ATOM 0 H LEU A 57 -3.136 10.311 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.782 10.554 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.519 8.744 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.052 8.762 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.238 11.062 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.603 10.733 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.434 9.292 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.157 9.321 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.931 12.214 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.497 10.871 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.139 11.888 -2.282 1.00 0.00 H new ATOM 718 N PRO A 58 -1.032 8.668 -5.105 1.00 0.00 N ATOM 719 CA PRO A 58 -1.180 7.607 -6.113 1.00 0.00 C ATOM 720 C PRO A 58 -0.808 6.225 -5.593 1.00 0.00 C ATOM 721 O PRO A 58 -1.483 5.239 -5.892 1.00 0.00 O ATOM 722 CB PRO A 58 -0.217 8.013 -7.233 1.00 0.00 C ATOM 723 CG PRO A 58 0.702 9.011 -6.618 1.00 0.00 C ATOM 724 CD PRO A 58 -0.088 9.708 -5.550 1.00 0.00 C ATOM 0 HA PRO A 58 -2.220 7.523 -6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.334 7.151 -7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.755 8.442 -8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.580 8.523 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.060 9.721 -7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.549 10.050 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.607 10.584 -5.939 1.00 0.00 H new ATOM 732 N GLY A 59 0.278 6.148 -4.839 1.00 0.00 N ATOM 733 CA GLY A 59 0.690 4.876 -4.304 1.00 0.00 C ATOM 734 C GLY A 59 -0.271 4.363 -3.244 1.00 0.00 C ATOM 735 O GLY A 59 -0.436 3.157 -3.084 1.00 0.00 O ATOM 0 H GLY A 59 0.874 6.938 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.759 4.148 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.687 4.970 -3.874 1.00 0.00 H new ATOM 739 N HIS A 60 -0.901 5.275 -2.496 1.00 0.00 N ATOM 740 CA HIS A 60 -1.866 4.860 -1.484 1.00 0.00 C ATOM 741 C HIS A 60 -3.109 4.363 -2.198 1.00 0.00 C ATOM 742 O HIS A 60 -3.804 3.469 -1.719 1.00 0.00 O ATOM 743 CB HIS A 60 -2.228 6.004 -0.533 1.00 0.00 C ATOM 744 CG HIS A 60 -1.307 6.159 0.638 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.650 5.811 1.924 1.00 0.00 N ATOM 746 CD2 HIS A 60 -0.054 6.665 0.715 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.619 6.112 2.726 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.375 6.634 2.041 1.00 0.00 N ATOM 0 H HIS A 60 -0.762 6.283 -2.572 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.424 4.071 -0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.238 6.937 -1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.241 5.844 -0.163 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.535 5.396 2.216 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.523 7.035 -0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.606 5.948 3.793 1.00 0.00 H new ATOM 756 N GLN A 61 -3.344 4.942 -3.369 1.00 0.00 N ATOM 757 CA GLN A 61 -4.485 4.582 -4.200 1.00 0.00 C ATOM 758 C GLN A 61 -4.293 3.177 -4.726 1.00 0.00 C ATOM 759 O GLN A 61 -5.111 2.296 -4.485 1.00 0.00 O ATOM 760 CB GLN A 61 -4.614 5.556 -5.366 1.00 0.00 C ATOM 761 CG GLN A 61 -5.379 6.816 -5.029 1.00 0.00 C ATOM 762 CD GLN A 61 -5.012 7.971 -5.932 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.556 7.782 -7.058 1.00 0.00 O ATOM 764 NE2 GLN A 61 -5.235 9.182 -5.454 1.00 0.00 N ATOM 0 H GLN A 61 -2.752 5.671 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.395 4.629 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.617 5.829 -5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.111 5.052 -6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.448 6.621 -5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.182 7.091 -3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.614 9.297 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.028 10.002 -6.025 1.00 0.00 H new ATOM 773 N LYS A 62 -3.229 3.015 -5.508 1.00 0.00 N ATOM 774 CA LYS A 62 -2.854 1.719 -6.065 1.00 0.00 C ATOM 775 C LYS A 62 -2.967 0.602 -5.027 1.00 0.00 C ATOM 776 O LYS A 62 -3.440 -0.486 -5.344 1.00 0.00 O ATOM 777 CB LYS A 62 -1.430 1.766 -6.620 1.00 0.00 C ATOM 778 CG LYS A 62 -1.294 2.533 -7.924 1.00 0.00 C ATOM 779 CD LYS A 62 0.156 2.588 -8.374 1.00 0.00 C ATOM 780 CE LYS A 62 0.519 1.420 -9.286 1.00 0.00 C ATOM 781 NZ LYS A 62 0.547 0.112 -8.567 1.00 0.00 N ATOM 0 H LYS A 62 -2.604 3.776 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.551 1.501 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.777 2.220 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.078 0.746 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.900 2.057 -8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.678 3.545 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.337 3.526 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.807 2.581 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.201 1.365 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.496 1.604 -9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.240 -0.518 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.815 0.267 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.395 -0.326 -8.606 1.00 0.00 H new ATOM 795 N ARG A 63 -2.506 0.863 -3.804 1.00 0.00 N ATOM 796 CA ARG A 63 -2.595 -0.127 -2.732 1.00 0.00 C ATOM 797 C ARG A 63 -4.054 -0.533 -2.518 1.00 0.00 C ATOM 798 O ARG A 63 -4.396 -1.714 -2.535 1.00 0.00 O ATOM 799 CB ARG A 63 -2.003 0.432 -1.433 1.00 0.00 C ATOM 800 CG ARG A 63 -1.196 -0.583 -0.635 1.00 0.00 C ATOM 801 CD ARG A 63 0.300 -0.295 -0.716 1.00 0.00 C ATOM 802 NE ARG A 63 0.933 -0.960 -1.858 1.00 0.00 N ATOM 803 CZ ARG A 63 1.304 -0.337 -2.977 1.00 0.00 C ATOM 804 NH1 ARG A 63 1.134 0.970 -3.108 1.00 0.00 N ATOM 805 NH2 ARG A 63 1.872 -1.018 -3.960 1.00 0.00 N ATOM 0 H ARG A 63 -2.070 1.744 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.020 -1.007 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.364 1.282 -1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.813 0.809 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.515 -0.565 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.396 -1.586 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.457 0.781 -0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.781 -0.623 0.205 1.00 0.00 H new ATOM 0 HE ARG A 63 1.101 -1.964 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.716 1.509 -2.349 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.421 1.438 -3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.027 -2.021 -3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.155 -0.539 -4.815 1.00 0.00 H new ATOM 819 N ILE A 64 -4.906 0.466 -2.324 1.00 0.00 N ATOM 820 CA ILE A 64 -6.335 0.244 -2.125 1.00 0.00 C ATOM 821 C ILE A 64 -6.965 -0.448 -3.340 1.00 0.00 C ATOM 822 O ILE A 64 -7.768 -1.373 -3.193 1.00 0.00 O ATOM 823 CB ILE A 64 -7.062 1.577 -1.847 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.505 2.222 -0.572 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.562 1.344 -1.730 1.00 0.00 C ATOM 826 CD1 ILE A 64 -7.003 3.630 -0.314 1.00 0.00 C ATOM 0 H ILE A 64 -4.630 1.448 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.447 -0.409 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.889 2.259 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.765 1.596 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.417 2.240 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.063 2.292 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.938 0.920 -2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.760 0.653 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.560 4.010 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.719 4.274 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.089 3.620 -0.217 1.00 0.00 H new ATOM 838 N ALA A 65 -6.599 0.008 -4.536 1.00 0.00 N ATOM 839 CA ALA A 65 -7.116 -0.562 -5.778 1.00 0.00 C ATOM 840 C ALA A 65 -6.823 -2.057 -5.868 1.00 0.00 C ATOM 841 O ALA A 65 -7.649 -2.835 -6.348 1.00 0.00 O ATOM 842 CB ALA A 65 -6.536 0.178 -6.978 1.00 0.00 C ATOM 0 H ALA A 65 -5.942 0.776 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.199 -0.440 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.929 -0.256 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.814 1.231 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.450 0.089 -6.970 1.00 0.00 H new ATOM 848 N TYR A 66 -5.651 -2.452 -5.393 1.00 0.00 N ATOM 849 CA TYR A 66 -5.248 -3.853 -5.404 1.00 0.00 C ATOM 850 C TYR A 66 -6.207 -4.685 -4.567 1.00 0.00 C ATOM 851 O TYR A 66 -6.637 -5.768 -4.965 1.00 0.00 O ATOM 852 CB TYR A 66 -3.841 -3.985 -4.826 1.00 0.00 C ATOM 853 CG TYR A 66 -2.869 -4.740 -5.698 1.00 0.00 C ATOM 854 CD1 TYR A 66 -2.980 -6.111 -5.881 1.00 0.00 C ATOM 855 CD2 TYR A 66 -1.817 -4.076 -6.311 1.00 0.00 C ATOM 856 CE1 TYR A 66 -2.066 -6.800 -6.660 1.00 0.00 C ATOM 857 CE2 TYR A 66 -0.898 -4.757 -7.081 1.00 0.00 C ATOM 858 CZ TYR A 66 -1.025 -6.116 -7.252 1.00 0.00 C ATOM 859 OH TYR A 66 -0.094 -6.795 -8.008 1.00 0.00 O ATOM 0 H TYR A 66 -4.958 -1.819 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.264 -4.213 -6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.443 -2.987 -4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.905 -4.485 -3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.790 -6.648 -5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.716 -3.008 -6.183 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.168 -7.866 -6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.082 -4.226 -7.548 1.00 0.00 H new ATOM 0 HH TYR A 66 0.571 -6.163 -8.353 1.00 0.00 H new ATOM 869 N SER A 67 -6.530 -4.172 -3.396 1.00 0.00 N ATOM 870 CA SER A 67 -7.426 -4.856 -2.489 1.00 0.00 C ATOM 871 C SER A 67 -8.870 -4.841 -2.994 1.00 0.00 C ATOM 872 O SER A 67 -9.668 -5.712 -2.631 1.00 0.00 O ATOM 873 CB SER A 67 -7.311 -4.237 -1.104 1.00 0.00 C ATOM 874 OG SER A 67 -5.945 -4.040 -0.775 1.00 0.00 O ATOM 0 H SER A 67 -6.182 -3.278 -3.050 1.00 0.00 H new ATOM 0 HA SER A 67 -7.132 -5.904 -2.434 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.842 -3.285 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.782 -4.886 -0.366 1.00 0.00 H new ATOM 0 HG SER A 67 -5.766 -4.412 0.114 1.00 0.00 H new ATOM 880 N LEU A 68 -9.213 -3.865 -3.831 1.00 0.00 N ATOM 881 CA LEU A 68 -10.559 -3.784 -4.379 1.00 0.00 C ATOM 882 C LEU A 68 -10.788 -4.895 -5.392 1.00 0.00 C ATOM 883 O LEU A 68 -11.899 -5.410 -5.529 1.00 0.00 O ATOM 884 CB LEU A 68 -10.796 -2.429 -5.051 1.00 0.00 C ATOM 885 CG LEU A 68 -11.317 -1.327 -4.139 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.215 0.018 -4.845 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.754 -1.631 -3.751 1.00 0.00 C ATOM 0 H LEU A 68 -8.582 -3.126 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.261 -3.896 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.859 -2.095 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.505 -2.567 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.714 -1.281 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.589 0.803 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.173 0.220 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.809 -0.005 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.129 -0.843 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.370 -1.682 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.795 -2.586 -3.228 1.00 0.00 H new ATOM 899 N LEU A 69 -9.728 -5.264 -6.095 1.00 0.00 N ATOM 900 CA LEU A 69 -9.805 -6.313 -7.096 1.00 0.00 C ATOM 901 C LEU A 69 -10.138 -7.643 -6.441 1.00 0.00 C ATOM 902 O LEU A 69 -10.957 -8.411 -6.950 1.00 0.00 O ATOM 903 CB LEU A 69 -8.482 -6.410 -7.849 1.00 0.00 C ATOM 904 CG LEU A 69 -8.049 -5.123 -8.552 1.00 0.00 C ATOM 905 CD1 LEU A 69 -6.664 -5.287 -9.145 1.00 0.00 C ATOM 906 CD2 LEU A 69 -9.040 -4.734 -9.638 1.00 0.00 C ATOM 0 H LEU A 69 -8.802 -4.850 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.597 -6.069 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.701 -6.705 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.560 -7.204 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.025 -4.325 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.369 -4.363 -9.642 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.953 -5.515 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.672 -6.102 -9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.708 -3.815 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.101 -5.532 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.023 -4.575 -9.194 1.00 0.00 H new ATOM 918 N GLY A 70 -9.501 -7.895 -5.303 1.00 0.00 N ATOM 919 CA GLY A 70 -9.735 -9.120 -4.567 1.00 0.00 C ATOM 920 C GLY A 70 -11.183 -9.265 -4.150 1.00 0.00 C ATOM 921 O GLY A 70 -11.783 -10.324 -4.319 1.00 0.00 O ATOM 0 H GLY A 70 -8.821 -7.266 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.448 -9.973 -5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.100 -9.138 -3.682 1.00 0.00 H new ATOM 925 N LEU A 71 -11.750 -8.188 -3.616 1.00 0.00 N ATOM 926 CA LEU A 71 -13.136 -8.195 -3.165 1.00 0.00 C ATOM 927 C LEU A 71 -14.090 -8.553 -4.300 1.00 0.00 C ATOM 928 O LEU A 71 -15.012 -9.350 -4.120 1.00 0.00 O ATOM 929 CB LEU A 71 -13.513 -6.831 -2.589 1.00 0.00 C ATOM 930 CG LEU A 71 -13.062 -6.562 -1.151 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.629 -5.233 -0.678 1.00 0.00 C ATOM 932 CD2 LEU A 71 -13.489 -7.689 -0.215 1.00 0.00 C ATOM 0 H LEU A 71 -11.269 -7.298 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.226 -8.955 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.091 -6.058 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.597 -6.727 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.973 -6.516 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.307 -5.044 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.270 -4.433 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.718 -5.268 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.153 -7.467 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.575 -7.779 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.044 -8.627 -0.548 1.00 0.00 H new ATOM 944 N LYS A 72 -13.858 -7.968 -5.470 1.00 0.00 N ATOM 945 CA LYS A 72 -14.700 -8.224 -6.631 1.00 0.00 C ATOM 946 C LYS A 72 -14.562 -9.679 -7.084 1.00 0.00 C ATOM 947 O LYS A 72 -15.545 -10.314 -7.472 1.00 0.00 O ATOM 948 CB LYS A 72 -14.334 -7.269 -7.773 1.00 0.00 C ATOM 949 CG LYS A 72 -14.670 -5.816 -7.475 1.00 0.00 C ATOM 950 CD LYS A 72 -14.121 -4.883 -8.543 1.00 0.00 C ATOM 951 CE LYS A 72 -14.598 -3.455 -8.329 1.00 0.00 C ATOM 952 NZ LYS A 72 -16.013 -3.277 -8.747 1.00 0.00 N ATOM 0 H LYS A 72 -13.094 -7.314 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.739 -8.050 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.267 -7.353 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.859 -7.578 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.752 -5.698 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.260 -5.539 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.031 -4.911 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.435 -5.230 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.494 -3.191 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.964 -2.771 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.072 -2.524 -9.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.370 -4.166 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.589 -3.016 -7.921 1.00 0.00 H new ATOM 966 N ASP A 73 -13.344 -10.204 -7.020 1.00 0.00 N ATOM 967 CA ASP A 73 -13.076 -11.584 -7.418 1.00 0.00 C ATOM 968 C ASP A 73 -13.680 -12.575 -6.425 1.00 0.00 C ATOM 969 O ASP A 73 -14.243 -13.595 -6.818 1.00 0.00 O ATOM 970 CB ASP A 73 -11.570 -11.822 -7.538 1.00 0.00 C ATOM 971 CG ASP A 73 -11.219 -13.297 -7.545 1.00 0.00 C ATOM 972 OD1 ASP A 73 -11.517 -13.981 -8.546 1.00 0.00 O ATOM 973 OD2 ASP A 73 -10.653 -13.779 -6.542 1.00 0.00 O ATOM 0 H ASP A 73 -12.522 -9.694 -6.695 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.543 -11.745 -8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.203 -11.359 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.060 -11.333 -6.708 1.00 0.00 H new ATOM 978 N GLN A 74 -13.563 -12.271 -5.137 1.00 0.00 N ATOM 979 CA GLN A 74 -14.111 -13.147 -4.103 1.00 0.00 C ATOM 980 C GLN A 74 -15.639 -13.185 -4.152 1.00 0.00 C ATOM 981 O GLN A 74 -16.239 -14.233 -3.915 1.00 0.00 O ATOM 982 CB GLN A 74 -13.633 -12.727 -2.709 1.00 0.00 C ATOM 983 CG GLN A 74 -12.149 -12.985 -2.480 1.00 0.00 C ATOM 984 CD GLN A 74 -11.748 -12.915 -1.020 1.00 0.00 C ATOM 985 OE1 GLN A 74 -12.520 -13.269 -0.128 1.00 0.00 O ATOM 986 NE2 GLN A 74 -10.536 -12.452 -0.766 1.00 0.00 N ATOM 0 H GLN A 74 -13.099 -11.434 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.741 -14.152 -4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.837 -11.666 -2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.209 -13.266 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.893 -13.969 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.569 -12.255 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.927 -12.169 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.210 -12.378 0.198 1.00 0.00 H new ATOM 995 N VAL A 75 -16.270 -12.054 -4.477 1.00 0.00 N ATOM 996 CA VAL A 75 -17.722 -11.987 -4.555 1.00 0.00 C ATOM 997 C VAL A 75 -18.217 -12.727 -5.799 1.00 0.00 C ATOM 998 O VAL A 75 -19.385 -13.100 -5.900 1.00 0.00 O ATOM 999 CB VAL A 75 -18.221 -10.512 -4.571 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -18.212 -9.929 -5.974 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -19.606 -10.384 -3.962 1.00 0.00 C ATOM 0 H VAL A 75 -15.795 -11.177 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.130 -12.469 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 75 -17.522 -9.940 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.567 -8.899 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.197 -9.951 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.866 -10.518 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.921 -9.341 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.311 -10.992 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.582 -10.728 -2.928 1.00 0.00 H new ATOM 1011 N ASN A 76 -17.302 -12.954 -6.737 1.00 0.00 N ATOM 1012 CA ASN A 76 -17.632 -13.659 -7.973 1.00 0.00 C ATOM 1013 C ASN A 76 -17.363 -15.144 -7.817 1.00 0.00 C ATOM 1014 O ASN A 76 -17.722 -15.942 -8.676 1.00 0.00 O ATOM 1015 CB ASN A 76 -16.831 -13.128 -9.168 1.00 0.00 C ATOM 1016 CG ASN A 76 -17.554 -12.019 -9.914 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -18.337 -12.279 -10.828 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -17.290 -10.775 -9.545 1.00 0.00 N ATOM 0 H ASN A 76 -16.328 -12.661 -6.666 1.00 0.00 H new ATOM 0 HA ASN A 76 -18.691 -13.488 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.868 -12.757 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.626 -13.948 -9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.741 -9.995 -10.023 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.636 -10.597 -8.783 1.00 0.00 H new ATOM 1025 N THR A 77 -16.729 -15.506 -6.715 1.00 0.00 N ATOM 1026 CA THR A 77 -16.405 -16.894 -6.446 1.00 0.00 C ATOM 1027 C THR A 77 -17.591 -17.614 -5.801 1.00 0.00 C ATOM 1028 O THR A 77 -18.142 -17.145 -4.805 1.00 0.00 O ATOM 1029 CB THR A 77 -15.182 -16.983 -5.518 1.00 0.00 C ATOM 1030 OG1 THR A 77 -14.113 -16.189 -6.048 1.00 0.00 O ATOM 1031 CG2 THR A 77 -14.710 -18.419 -5.354 1.00 0.00 C ATOM 0 H THR A 77 -16.428 -14.854 -5.990 1.00 0.00 H new ATOM 0 HA THR A 77 -16.175 -17.378 -7.395 1.00 0.00 H new ATOM 0 HB THR A 77 -15.477 -16.607 -4.539 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.393 -15.251 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.844 -18.444 -4.692 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.513 -19.019 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.434 -18.825 -6.327 1.00 0.00 H new ATOM 1064 N MET B 29 11.643 4.871 8.894 1.00 0.00 N ATOM 1065 CA MET B 29 12.530 3.723 8.784 1.00 0.00 C ATOM 1066 C MET B 29 13.881 4.124 8.196 1.00 0.00 C ATOM 1067 O MET B 29 14.537 3.325 7.527 1.00 0.00 O ATOM 1068 CB MET B 29 11.882 2.633 7.923 1.00 0.00 C ATOM 1069 CG MET B 29 11.523 3.089 6.519 1.00 0.00 C ATOM 1070 SD MET B 29 10.879 1.749 5.503 1.00 0.00 S ATOM 1071 CE MET B 29 10.379 2.648 4.038 1.00 0.00 C ATOM 0 HA MET B 29 12.700 3.331 9.787 1.00 0.00 H new ATOM 0 HB2 MET B 29 12.563 1.784 7.856 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.980 2.279 8.421 1.00 0.00 H new ATOM 0 HG2 MET B 29 10.781 3.885 6.578 1.00 0.00 H new ATOM 0 HG3 MET B 29 12.407 3.511 6.040 1.00 0.00 H new ATOM 0 HE1 MET B 29 10.074 1.943 3.265 1.00 0.00 H new ATOM 0 HE2 MET B 29 9.543 3.304 4.281 1.00 0.00 H new ATOM 0 HE3 MET B 29 11.215 3.246 3.675 1.00 0.00 H new ATOM 1081 N SER B 30 14.299 5.356 8.458 1.00 0.00 N ATOM 1082 CA SER B 30 15.578 5.850 7.960 1.00 0.00 C ATOM 1083 C SER B 30 16.719 4.988 8.494 1.00 0.00 C ATOM 1084 O SER B 30 17.577 4.540 7.735 1.00 0.00 O ATOM 1085 CB SER B 30 15.779 7.307 8.373 1.00 0.00 C ATOM 1086 OG SER B 30 14.611 8.070 8.120 1.00 0.00 O ATOM 0 H SER B 30 13.772 6.031 9.012 1.00 0.00 H new ATOM 0 HA SER B 30 15.575 5.793 6.871 1.00 0.00 H new ATOM 0 HB2 SER B 30 16.029 7.358 9.433 1.00 0.00 H new ATOM 0 HB3 SER B 30 16.621 7.731 7.826 1.00 0.00 H new ATOM 0 HG SER B 30 14.177 7.744 7.304 1.00 0.00 H new ATOM 1092 N ALA B 31 16.717 4.762 9.805 1.00 0.00 N ATOM 1093 CA ALA B 31 17.733 3.934 10.448 1.00 0.00 C ATOM 1094 C ALA B 31 17.721 2.521 9.871 1.00 0.00 C ATOM 1095 O ALA B 31 18.764 1.879 9.739 1.00 0.00 O ATOM 1096 CB ALA B 31 17.514 3.897 11.953 1.00 0.00 C ATOM 0 H ALA B 31 16.020 5.143 10.445 1.00 0.00 H new ATOM 0 HA ALA B 31 18.710 4.375 10.251 1.00 0.00 H new ATOM 0 HB1 ALA B 31 18.280 3.276 12.417 1.00 0.00 H new ATOM 0 HB2 ALA B 31 17.575 4.908 12.355 1.00 0.00 H new ATOM 0 HB3 ALA B 31 16.530 3.480 12.167 1.00 0.00 H new ATOM 1102 N TRP B 32 16.532 2.055 9.516 1.00 0.00 N ATOM 1103 CA TRP B 32 16.357 0.728 8.939 1.00 0.00 C ATOM 1104 C TRP B 32 16.963 0.685 7.536 1.00 0.00 C ATOM 1105 O TRP B 32 17.657 -0.263 7.171 1.00 0.00 O ATOM 1106 CB TRP B 32 14.860 0.394 8.897 1.00 0.00 C ATOM 1107 CG TRP B 32 14.533 -1.000 8.453 1.00 0.00 C ATOM 1108 CD1 TRP B 32 14.382 -2.100 9.247 1.00 0.00 C ATOM 1109 CD2 TRP B 32 14.287 -1.438 7.110 1.00 0.00 C ATOM 1110 NE1 TRP B 32 14.057 -3.193 8.480 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.997 -2.813 7.167 1.00 0.00 C ATOM 1112 CE3 TRP B 32 14.286 -0.802 5.867 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.709 -3.561 6.029 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 14.001 -1.546 4.738 1.00 0.00 C ATOM 1115 CH2 TRP B 32 13.714 -2.913 4.827 1.00 0.00 C ATOM 0 H TRP B 32 15.665 2.582 9.619 1.00 0.00 H new ATOM 0 HA TRP B 32 16.869 -0.014 9.552 1.00 0.00 H new ATOM 0 HB2 TRP B 32 14.440 0.550 9.891 1.00 0.00 H new ATOM 0 HB3 TRP B 32 14.365 1.098 8.228 1.00 0.00 H new ATOM 0 HD1 TRP B 32 14.501 -2.110 10.320 1.00 0.00 H new ATOM 0 HE1 TRP B 32 13.888 -4.135 8.833 1.00 0.00 H new ATOM 0 HE3 TRP B 32 14.504 0.253 5.789 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.489 -4.616 6.094 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 14.000 -1.065 3.771 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.492 -3.467 3.927 1.00 0.00 H new ATOM 1126 N LEU B 33 16.723 1.740 6.771 1.00 0.00 N ATOM 1127 CA LEU B 33 17.232 1.830 5.409 1.00 0.00 C ATOM 1128 C LEU B 33 18.728 2.128 5.399 1.00 0.00 C ATOM 1129 O LEU B 33 19.432 1.768 4.457 1.00 0.00 O ATOM 1130 CB LEU B 33 16.469 2.890 4.620 1.00 0.00 C ATOM 1131 CG LEU B 33 15.089 2.453 4.126 1.00 0.00 C ATOM 1132 CD1 LEU B 33 14.286 3.653 3.667 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.216 1.435 3.000 1.00 0.00 C ATOM 0 H LEU B 33 16.178 2.548 7.071 1.00 0.00 H new ATOM 0 HA LEU B 33 17.079 0.863 4.929 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.352 3.774 5.246 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.070 3.186 3.760 1.00 0.00 H new ATOM 0 HG LEU B 33 14.563 1.981 4.956 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.307 3.324 3.319 1.00 0.00 H new ATOM 0 HD12 LEU B 33 14.161 4.347 4.498 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.811 4.153 2.853 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.222 1.138 2.664 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.763 1.879 2.168 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.754 0.558 3.361 1.00 0.00 H new ATOM 1145 N ARG B 34 19.205 2.803 6.443 1.00 0.00 N ATOM 1146 CA ARG B 34 20.626 3.128 6.579 1.00 0.00 C ATOM 1147 C ARG B 34 21.477 1.860 6.605 1.00 0.00 C ATOM 1148 O ARG B 34 22.666 1.892 6.287 1.00 0.00 O ATOM 1149 CB ARG B 34 20.868 3.926 7.861 1.00 0.00 C ATOM 1150 CG ARG B 34 22.309 4.378 8.030 1.00 0.00 C ATOM 1151 CD ARG B 34 22.478 5.836 7.654 1.00 0.00 C ATOM 1152 NE ARG B 34 21.899 6.726 8.658 1.00 0.00 N ATOM 1153 CZ ARG B 34 21.431 7.943 8.392 1.00 0.00 C ATOM 1154 NH1 ARG B 34 21.366 8.377 7.139 1.00 0.00 N ATOM 1155 NH2 ARG B 34 20.997 8.716 9.377 1.00 0.00 N ATOM 0 H ARG B 34 18.625 3.138 7.212 1.00 0.00 H new ATOM 0 HA ARG B 34 20.915 3.728 5.716 1.00 0.00 H new ATOM 0 HB2 ARG B 34 20.218 4.801 7.863 1.00 0.00 H new ATOM 0 HB3 ARG B 34 20.584 3.316 8.718 1.00 0.00 H new ATOM 0 HG2 ARG B 34 22.620 4.229 9.064 1.00 0.00 H new ATOM 0 HG3 ARG B 34 22.960 3.763 7.409 1.00 0.00 H new ATOM 0 HD2 ARG B 34 23.538 6.061 7.537 1.00 0.00 H new ATOM 0 HD3 ARG B 34 22.005 6.020 6.689 1.00 0.00 H new ATOM 0 HE ARG B 34 21.851 6.394 9.621 1.00 0.00 H new ATOM 0 HH11 ARG B 34 21.676 7.777 6.375 1.00 0.00 H new ATOM 0 HH12 ARG B 34 21.006 9.311 6.941 1.00 0.00 H new ATOM 0 HH21 ARG B 34 21.022 8.378 10.339 1.00 0.00 H new ATOM 0 HH22 ARG B 34 20.638 9.649 9.173 1.00 0.00 H new ATOM 1169 N ALA B 35 20.847 0.749 6.963 1.00 0.00 N ATOM 1170 CA ALA B 35 21.532 -0.535 7.035 1.00 0.00 C ATOM 1171 C ALA B 35 22.153 -0.889 5.685 1.00 0.00 C ATOM 1172 O ALA B 35 23.212 -1.511 5.616 1.00 0.00 O ATOM 1173 CB ALA B 35 20.572 -1.623 7.486 1.00 0.00 C ATOM 0 H ALA B 35 19.858 0.711 7.209 1.00 0.00 H new ATOM 0 HA ALA B 35 22.334 -0.458 7.769 1.00 0.00 H new ATOM 0 HB1 ALA B 35 21.099 -2.576 7.535 1.00 0.00 H new ATOM 0 HB2 ALA B 35 20.178 -1.375 8.472 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.749 -1.699 6.775 1.00 0.00 H new ATOM 1179 N ILE B 36 21.482 -0.482 4.615 1.00 0.00 N ATOM 1180 CA ILE B 36 21.958 -0.731 3.260 1.00 0.00 C ATOM 1181 C ILE B 36 22.144 0.582 2.504 1.00 0.00 C ATOM 1182 O ILE B 36 22.272 0.594 1.280 1.00 0.00 O ATOM 1183 CB ILE B 36 20.976 -1.624 2.481 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.550 -1.078 2.612 1.00 0.00 C ATOM 1185 CG2 ILE B 36 21.058 -3.057 2.986 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.583 -1.646 1.598 1.00 0.00 C ATOM 0 H ILE B 36 20.599 0.026 4.661 1.00 0.00 H new ATOM 0 HA ILE B 36 22.916 -1.244 3.342 1.00 0.00 H new ATOM 0 HB ILE B 36 21.249 -1.618 1.426 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.179 -1.294 3.614 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.575 0.007 2.508 1.00 0.00 H new ATOM 0 HG21 ILE B 36 20.359 -3.680 2.428 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.071 -3.434 2.847 1.00 0.00 H new ATOM 0 HG23 ILE B 36 20.803 -3.085 4.045 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.595 -1.212 1.754 1.00 0.00 H new ATOM 0 HD12 ILE B 36 18.929 -1.408 0.592 1.00 0.00 H new ATOM 0 HD13 ILE B 36 18.527 -2.728 1.716 1.00 0.00 H new ATOM 1198 N GLY B 37 22.213 1.674 3.258 1.00 0.00 N ATOM 1199 CA GLY B 37 22.364 3.000 2.675 1.00 0.00 C ATOM 1200 C GLY B 37 21.323 3.317 1.611 1.00 0.00 C ATOM 1201 O GLY B 37 21.659 3.823 0.539 1.00 0.00 O ATOM 0 H GLY B 37 22.166 1.665 4.277 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.301 3.746 3.467 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.358 3.084 2.236 1.00 0.00 H new ATOM 1205 N LEU B 38 20.061 3.025 1.899 1.00 0.00 N ATOM 1206 CA LEU B 38 18.983 3.300 0.951 1.00 0.00 C ATOM 1207 C LEU B 38 17.978 4.287 1.538 1.00 0.00 C ATOM 1208 O LEU B 38 16.870 4.435 1.022 1.00 0.00 O ATOM 1209 CB LEU B 38 18.258 2.010 0.555 1.00 0.00 C ATOM 1210 CG LEU B 38 18.532 1.510 -0.866 1.00 0.00 C ATOM 1211 CD1 LEU B 38 19.961 1.010 -0.993 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.542 0.415 -1.242 1.00 0.00 C ATOM 0 H LEU B 38 19.757 2.600 2.775 1.00 0.00 H new ATOM 0 HA LEU B 38 19.435 3.740 0.062 1.00 0.00 H new ATOM 0 HB2 LEU B 38 18.539 1.226 1.258 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.185 2.168 0.665 1.00 0.00 H new ATOM 0 HG LEU B 38 18.403 2.343 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU B 38 20.135 0.659 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU B 38 20.652 1.822 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU B 38 20.123 0.190 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU B 38 17.749 0.069 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.640 -0.419 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.527 0.810 -1.194 1.00 0.00 H new ATOM 1224 N GLU B 39 18.366 4.943 2.627 1.00 0.00 N ATOM 1225 CA GLU B 39 17.504 5.917 3.307 1.00 0.00 C ATOM 1226 C GLU B 39 16.971 7.003 2.364 1.00 0.00 C ATOM 1227 O GLU B 39 15.948 7.622 2.648 1.00 0.00 O ATOM 1228 CB GLU B 39 18.242 6.563 4.487 1.00 0.00 C ATOM 1229 CG GLU B 39 19.405 7.458 4.084 1.00 0.00 C ATOM 1230 CD GLU B 39 20.728 6.723 4.035 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.911 5.878 3.141 1.00 0.00 O ATOM 1232 OE2 GLU B 39 21.595 6.999 4.886 1.00 0.00 O ATOM 0 H GLU B 39 19.279 4.819 3.064 1.00 0.00 H new ATOM 0 HA GLU B 39 16.642 5.361 3.676 1.00 0.00 H new ATOM 0 HB2 GLU B 39 17.531 7.151 5.067 1.00 0.00 H new ATOM 0 HB3 GLU B 39 18.615 5.776 5.142 1.00 0.00 H new ATOM 0 HG2 GLU B 39 19.200 7.892 3.105 1.00 0.00 H new ATOM 0 HG3 GLU B 39 19.481 8.285 4.790 1.00 0.00 H new ATOM 1239 N ARG B 40 17.643 7.220 1.240 1.00 0.00 N ATOM 1240 CA ARG B 40 17.210 8.236 0.286 1.00 0.00 C ATOM 1241 C ARG B 40 15.945 7.807 -0.460 1.00 0.00 C ATOM 1242 O ARG B 40 15.277 8.630 -1.082 1.00 0.00 O ATOM 1243 CB ARG B 40 18.320 8.541 -0.721 1.00 0.00 C ATOM 1244 CG ARG B 40 19.558 9.182 -0.112 1.00 0.00 C ATOM 1245 CD ARG B 40 20.254 10.099 -1.111 1.00 0.00 C ATOM 1246 NE ARG B 40 20.320 9.504 -2.448 1.00 0.00 N ATOM 1247 CZ ARG B 40 21.446 9.138 -3.060 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.621 9.284 -2.459 1.00 0.00 N ATOM 1249 NH2 ARG B 40 21.396 8.617 -4.279 1.00 0.00 N ATOM 0 H ARG B 40 18.484 6.711 0.967 1.00 0.00 H new ATOM 0 HA ARG B 40 16.983 9.137 0.857 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.611 7.614 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG B 40 17.924 9.203 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.277 9.752 0.774 1.00 0.00 H new ATOM 0 HG3 ARG B 40 20.249 8.405 0.215 1.00 0.00 H new ATOM 0 HD2 ARG B 40 19.722 11.049 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.263 10.317 -0.761 1.00 0.00 H new ATOM 0 HE ARG B 40 19.442 9.360 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.668 9.679 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG B 40 23.477 9.001 -2.936 1.00 0.00 H new ATOM 0 HH21 ARG B 40 20.497 8.497 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.256 8.336 -4.749 1.00 0.00 H new ATOM 1263 N TYR B 41 15.608 6.525 -0.393 1.00 0.00 N ATOM 1264 CA TYR B 41 14.430 6.021 -1.087 1.00 0.00 C ATOM 1265 C TYR B 41 13.167 6.173 -0.247 1.00 0.00 C ATOM 1266 O TYR B 41 12.061 6.183 -0.791 1.00 0.00 O ATOM 1267 CB TYR B 41 14.636 4.566 -1.497 1.00 0.00 C ATOM 1268 CG TYR B 41 15.631 4.417 -2.622 1.00 0.00 C ATOM 1269 CD1 TYR B 41 16.996 4.394 -2.366 1.00 0.00 C ATOM 1270 CD2 TYR B 41 15.209 4.317 -3.941 1.00 0.00 C ATOM 1271 CE1 TYR B 41 17.910 4.272 -3.392 1.00 0.00 C ATOM 1272 CE2 TYR B 41 16.117 4.196 -4.974 1.00 0.00 C ATOM 1273 CZ TYR B 41 17.467 4.174 -4.693 1.00 0.00 C ATOM 1274 OH TYR B 41 18.381 4.053 -5.716 1.00 0.00 O ATOM 0 H TYR B 41 16.129 5.821 0.130 1.00 0.00 H new ATOM 0 HA TYR B 41 14.294 6.623 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR B 41 14.979 3.994 -0.635 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.681 4.139 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.347 4.473 -1.348 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.152 4.334 -4.163 1.00 0.00 H new ATOM 0 HE1 TYR B 41 18.968 4.253 -3.176 1.00 0.00 H new ATOM 0 HE2 TYR B 41 15.773 4.119 -5.995 1.00 0.00 H new ATOM 0 HH TYR B 41 19.138 3.508 -5.415 1.00 0.00 H new ATOM 1284 N GLU B 42 13.332 6.267 1.076 1.00 0.00 N ATOM 1285 CA GLU B 42 12.203 6.447 1.999 1.00 0.00 C ATOM 1286 C GLU B 42 11.291 7.590 1.547 1.00 0.00 C ATOM 1287 O GLU B 42 10.082 7.556 1.764 1.00 0.00 O ATOM 1288 CB GLU B 42 12.726 6.731 3.410 1.00 0.00 C ATOM 1289 CG GLU B 42 11.676 6.575 4.501 1.00 0.00 C ATOM 1290 CD GLU B 42 12.231 6.842 5.886 1.00 0.00 C ATOM 1291 OE1 GLU B 42 13.388 7.292 5.993 1.00 0.00 O ATOM 1292 OE2 GLU B 42 11.511 6.601 6.879 1.00 0.00 O ATOM 0 H GLU B 42 14.241 6.221 1.536 1.00 0.00 H new ATOM 0 HA GLU B 42 11.619 5.527 2.001 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.557 6.058 3.621 1.00 0.00 H new ATOM 0 HB3 GLU B 42 13.121 7.746 3.443 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.850 7.260 4.306 1.00 0.00 H new ATOM 0 HG3 GLU B 42 11.268 5.565 4.466 1.00 0.00 H new ATOM 1299 N GLU B 43 11.895 8.581 0.902 1.00 0.00 N ATOM 1300 CA GLU B 43 11.166 9.738 0.392 1.00 0.00 C ATOM 1301 C GLU B 43 10.022 9.301 -0.524 1.00 0.00 C ATOM 1302 O GLU B 43 8.888 9.766 -0.387 1.00 0.00 O ATOM 1303 CB GLU B 43 12.108 10.667 -0.369 1.00 0.00 C ATOM 1304 CG GLU B 43 13.038 11.452 0.535 1.00 0.00 C ATOM 1305 CD GLU B 43 13.761 12.558 -0.202 1.00 0.00 C ATOM 1306 OE1 GLU B 43 13.095 13.529 -0.625 1.00 0.00 O ATOM 1307 OE2 GLU B 43 14.997 12.459 -0.361 1.00 0.00 O ATOM 0 H GLU B 43 12.898 8.606 0.718 1.00 0.00 H new ATOM 0 HA GLU B 43 10.746 10.273 1.244 1.00 0.00 H new ATOM 0 HB2 GLU B 43 12.703 10.077 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU B 43 11.517 11.364 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU B 43 12.465 11.881 1.357 1.00 0.00 H new ATOM 0 HG3 GLU B 43 13.769 10.774 0.976 1.00 0.00 H new ATOM 1314 N GLY B 44 10.325 8.410 -1.461 1.00 0.00 N ATOM 1315 CA GLY B 44 9.318 7.924 -2.383 1.00 0.00 C ATOM 1316 C GLY B 44 8.410 6.879 -1.764 1.00 0.00 C ATOM 1317 O GLY B 44 7.239 6.779 -2.122 1.00 0.00 O ATOM 0 H GLY B 44 11.255 8.014 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY B 44 8.715 8.763 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY B 44 9.809 7.500 -3.259 1.00 0.00 H new ATOM 1321 N LEU B 45 8.936 6.134 -0.799 1.00 0.00 N ATOM 1322 CA LEU B 45 8.179 5.074 -0.133 1.00 0.00 C ATOM 1323 C LEU B 45 7.116 5.629 0.823 1.00 0.00 C ATOM 1324 O LEU B 45 6.562 4.894 1.639 1.00 0.00 O ATOM 1325 CB LEU B 45 9.137 4.155 0.628 1.00 0.00 C ATOM 1326 CG LEU B 45 10.020 3.265 -0.252 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.349 2.981 0.434 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.303 1.964 -0.577 1.00 0.00 C ATOM 0 H LEU B 45 9.890 6.244 -0.456 1.00 0.00 H new ATOM 0 HA LEU B 45 7.656 4.510 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.780 4.769 1.259 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.554 3.518 1.293 1.00 0.00 H new ATOM 0 HG LEU B 45 10.221 3.794 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU B 45 11.961 2.347 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.870 3.920 0.621 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.168 2.472 1.381 1.00 0.00 H new ATOM 0 HD21 LEU B 45 9.943 1.342 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.074 1.434 0.348 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.377 2.182 -1.109 1.00 0.00 H new ATOM 1340 N VAL B 46 6.816 6.913 0.708 1.00 0.00 N ATOM 1341 CA VAL B 46 5.822 7.546 1.563 1.00 0.00 C ATOM 1342 C VAL B 46 4.509 7.733 0.800 1.00 0.00 C ATOM 1343 O VAL B 46 3.424 7.704 1.380 1.00 0.00 O ATOM 1344 CB VAL B 46 6.323 8.917 2.086 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.200 9.711 2.741 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.472 8.728 3.067 1.00 0.00 C ATOM 0 H VAL B 46 7.248 7.540 0.029 1.00 0.00 H new ATOM 0 HA VAL B 46 5.653 6.892 2.419 1.00 0.00 H new ATOM 0 HB VAL B 46 6.679 9.485 1.227 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.588 10.666 3.095 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.408 9.889 2.014 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.799 9.147 3.583 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.810 9.701 3.423 1.00 0.00 H new ATOM 0 HG22 VAL B 46 7.134 8.130 3.913 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.296 8.218 2.568 1.00 0.00 H new ATOM 1356 N HIS B 47 4.613 7.873 -0.516 1.00 0.00 N ATOM 1357 CA HIS B 47 3.434 8.085 -1.352 1.00 0.00 C ATOM 1358 C HIS B 47 2.656 6.798 -1.589 1.00 0.00 C ATOM 1359 O HIS B 47 1.543 6.839 -2.113 1.00 0.00 O ATOM 1360 CB HIS B 47 3.819 8.690 -2.704 1.00 0.00 C ATOM 1361 CG HIS B 47 3.845 10.191 -2.715 1.00 0.00 C ATOM 1362 ND1 HIS B 47 3.517 10.957 -3.814 1.00 0.00 N ATOM 1363 CD2 HIS B 47 4.157 11.069 -1.727 1.00 0.00 C ATOM 1364 CE1 HIS B 47 3.634 12.245 -3.466 1.00 0.00 C ATOM 1365 NE2 HIS B 47 4.019 12.368 -2.211 1.00 0.00 N ATOM 0 H HIS B 47 5.496 7.844 -1.027 1.00 0.00 H new ATOM 0 HA HIS B 47 2.795 8.780 -0.807 1.00 0.00 H new ATOM 0 HB2 HIS B 47 4.802 8.318 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS B 47 3.114 8.343 -3.460 1.00 0.00 H new ATOM 0 HD2 HIS B 47 4.463 10.803 -0.726 1.00 0.00 H new ATOM 0 HE1 HIS B 47 3.438 13.076 -4.128 1.00 0.00 H new ATOM 0 HE2 HIS B 47 4.182 13.235 -1.700 1.00 0.00 H new ATOM 1373 N ASN B 48 3.235 5.662 -1.223 1.00 0.00 N ATOM 1374 CA ASN B 48 2.569 4.376 -1.423 1.00 0.00 C ATOM 1375 C ASN B 48 2.169 3.753 -0.093 1.00 0.00 C ATOM 1376 O ASN B 48 1.537 2.697 -0.060 1.00 0.00 O ATOM 1377 CB ASN B 48 3.466 3.399 -2.195 1.00 0.00 C ATOM 1378 CG ASN B 48 4.327 4.072 -3.251 1.00 0.00 C ATOM 1379 OD1 ASN B 48 5.310 4.734 -2.929 1.00 0.00 O ATOM 1380 ND2 ASN B 48 3.984 3.889 -4.518 1.00 0.00 N ATOM 0 H ASN B 48 4.156 5.601 -0.790 1.00 0.00 H new ATOM 0 HA ASN B 48 1.671 4.568 -2.010 1.00 0.00 H new ATOM 0 HB2 ASN B 48 4.112 2.877 -1.490 1.00 0.00 H new ATOM 0 HB3 ASN B 48 2.841 2.645 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN B 48 4.543 4.304 -5.263 1.00 0.00 H new ATOM 0 HD22 ASN B 48 3.161 3.333 -4.748 1.00 0.00 H new ATOM 1387 N GLY B 49 2.521 4.424 0.997 1.00 0.00 N ATOM 1388 CA GLY B 49 2.196 3.920 2.318 1.00 0.00 C ATOM 1389 C GLY B 49 3.094 2.779 2.745 1.00 0.00 C ATOM 1390 O GLY B 49 2.615 1.710 3.124 1.00 0.00 O ATOM 0 H GLY B 49 3.027 5.310 0.990 1.00 0.00 H new ATOM 0 HA2 GLY B 49 2.277 4.731 3.042 1.00 0.00 H new ATOM 0 HA3 GLY B 49 1.159 3.585 2.329 1.00 0.00 H new ATOM 1394 N TRP B 50 4.401 2.996 2.675 1.00 0.00 N ATOM 1395 CA TRP B 50 5.362 1.978 3.068 1.00 0.00 C ATOM 1396 C TRP B 50 6.170 2.456 4.263 1.00 0.00 C ATOM 1397 O TRP B 50 7.261 1.958 4.534 1.00 0.00 O ATOM 1398 CB TRP B 50 6.289 1.622 1.905 1.00 0.00 C ATOM 1399 CG TRP B 50 5.617 0.810 0.845 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.454 1.145 -0.466 1.00 0.00 C ATOM 1401 CD2 TRP B 50 5.011 -0.476 1.010 1.00 0.00 C ATOM 1402 NE1 TRP B 50 4.780 0.148 -1.128 1.00 0.00 N ATOM 1403 CE2 TRP B 50 4.498 -0.860 -0.242 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.853 -1.340 2.096 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 3.838 -2.070 -0.434 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.199 -2.540 1.902 1.00 0.00 C ATOM 1407 CH2 TRP B 50 3.698 -2.896 0.646 1.00 0.00 C ATOM 0 H TRP B 50 4.818 3.868 2.350 1.00 0.00 H new ATOM 0 HA TRP B 50 4.814 1.079 3.349 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.674 2.540 1.461 1.00 0.00 H new ATOM 0 HB3 TRP B 50 7.147 1.069 2.288 1.00 0.00 H new ATOM 0 HD1 TRP B 50 5.804 2.061 -0.918 1.00 0.00 H new ATOM 0 HE1 TRP B 50 4.530 0.156 -2.117 1.00 0.00 H new ATOM 0 HE3 TRP B 50 5.236 -1.074 3.070 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 3.450 -2.347 -1.403 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 4.072 -3.216 2.735 1.00 0.00 H new ATOM 0 HH2 TRP B 50 3.191 -3.842 0.527 1.00 0.00 H new ATOM 1418 N ASP B 51 5.613 3.418 4.985 1.00 0.00 N ATOM 1419 CA ASP B 51 6.261 3.978 6.164 1.00 0.00 C ATOM 1420 C ASP B 51 5.999 3.093 7.381 1.00 0.00 C ATOM 1421 O ASP B 51 6.375 3.427 8.508 1.00 0.00 O ATOM 1422 CB ASP B 51 5.773 5.411 6.419 1.00 0.00 C ATOM 1423 CG ASP B 51 4.260 5.533 6.436 1.00 0.00 C ATOM 1424 OD1 ASP B 51 3.629 5.266 5.393 1.00 0.00 O ATOM 1425 OD2 ASP B 51 3.703 5.919 7.487 1.00 0.00 O ATOM 0 H ASP B 51 4.705 3.831 4.772 1.00 0.00 H new ATOM 0 HA ASP B 51 7.336 4.013 5.987 1.00 0.00 H new ATOM 0 HB2 ASP B 51 6.170 5.759 7.373 1.00 0.00 H new ATOM 0 HB3 ASP B 51 6.175 6.068 5.648 1.00 0.00 H new ATOM 1430 N ASP B 52 5.349 1.965 7.133 1.00 0.00 N ATOM 1431 CA ASP B 52 5.038 0.996 8.173 1.00 0.00 C ATOM 1432 C ASP B 52 5.866 -0.266 7.949 1.00 0.00 C ATOM 1433 O ASP B 52 5.656 -0.994 6.978 1.00 0.00 O ATOM 1434 CB ASP B 52 3.544 0.667 8.164 1.00 0.00 C ATOM 1435 CG ASP B 52 3.167 -0.341 9.228 1.00 0.00 C ATOM 1436 OD1 ASP B 52 3.309 -1.553 8.979 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.714 0.075 10.315 1.00 0.00 O ATOM 0 H ASP B 52 5.022 1.696 6.205 1.00 0.00 H new ATOM 0 HA ASP B 52 5.285 1.418 9.147 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.973 1.583 8.317 1.00 0.00 H new ATOM 0 HB3 ASP B 52 3.267 0.278 7.184 1.00 0.00 H new ATOM 1442 N LEU B 53 6.803 -0.517 8.855 1.00 0.00 N ATOM 1443 CA LEU B 53 7.707 -1.664 8.750 1.00 0.00 C ATOM 1444 C LEU B 53 6.981 -3.008 8.776 1.00 0.00 C ATOM 1445 O LEU B 53 7.445 -3.977 8.169 1.00 0.00 O ATOM 1446 CB LEU B 53 8.750 -1.610 9.866 1.00 0.00 C ATOM 1447 CG LEU B 53 9.782 -0.491 9.727 1.00 0.00 C ATOM 1448 CD1 LEU B 53 10.612 -0.368 10.993 1.00 0.00 C ATOM 1449 CD2 LEU B 53 10.680 -0.749 8.526 1.00 0.00 C ATOM 0 H LEU B 53 6.960 0.062 9.680 1.00 0.00 H new ATOM 0 HA LEU B 53 8.194 -1.592 7.778 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.235 -1.494 10.820 1.00 0.00 H new ATOM 0 HB3 LEU B 53 9.274 -2.565 9.901 1.00 0.00 H new ATOM 0 HG LEU B 53 9.253 0.449 9.572 1.00 0.00 H new ATOM 0 HD11 LEU B 53 11.341 0.434 10.874 1.00 0.00 H new ATOM 0 HD12 LEU B 53 9.959 -0.142 11.836 1.00 0.00 H new ATOM 0 HD13 LEU B 53 11.133 -1.307 11.179 1.00 0.00 H new ATOM 0 HD21 LEU B 53 11.410 0.055 8.438 1.00 0.00 H new ATOM 0 HD22 LEU B 53 11.199 -1.698 8.657 1.00 0.00 H new ATOM 0 HD23 LEU B 53 10.074 -0.789 7.621 1.00 0.00 H new ATOM 1461 N GLU B 54 5.850 -3.077 9.469 1.00 0.00 N ATOM 1462 CA GLU B 54 5.093 -4.321 9.551 1.00 0.00 C ATOM 1463 C GLU B 54 4.589 -4.721 8.171 1.00 0.00 C ATOM 1464 O GLU B 54 4.852 -5.826 7.699 1.00 0.00 O ATOM 1465 CB GLU B 54 3.918 -4.181 10.518 1.00 0.00 C ATOM 1466 CG GLU B 54 4.321 -3.726 11.909 1.00 0.00 C ATOM 1467 CD GLU B 54 3.144 -3.667 12.855 1.00 0.00 C ATOM 1468 OE1 GLU B 54 2.132 -3.025 12.510 1.00 0.00 O ATOM 1469 OE2 GLU B 54 3.225 -4.264 13.948 1.00 0.00 O ATOM 0 H GLU B 54 5.440 -2.294 9.978 1.00 0.00 H new ATOM 0 HA GLU B 54 5.756 -5.100 9.928 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.203 -3.469 10.106 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.405 -5.140 10.594 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.072 -4.407 12.309 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.785 -2.741 11.847 1.00 0.00 H new ATOM 1476 N PHE B 55 3.890 -3.805 7.514 1.00 0.00 N ATOM 1477 CA PHE B 55 3.356 -4.066 6.184 1.00 0.00 C ATOM 1478 C PHE B 55 4.490 -4.149 5.167 1.00 0.00 C ATOM 1479 O PHE B 55 4.387 -4.854 4.165 1.00 0.00 O ATOM 1480 CB PHE B 55 2.348 -2.985 5.790 1.00 0.00 C ATOM 1481 CG PHE B 55 1.498 -3.342 4.598 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.892 -4.587 4.499 1.00 0.00 C ATOM 1483 CD2 PHE B 55 1.306 -2.428 3.575 1.00 0.00 C ATOM 1484 CE1 PHE B 55 0.114 -4.910 3.402 1.00 0.00 C ATOM 1485 CE2 PHE B 55 0.530 -2.747 2.477 1.00 0.00 C ATOM 1486 CZ PHE B 55 -0.066 -3.989 2.391 1.00 0.00 C ATOM 0 H PHE B 55 3.680 -2.876 7.880 1.00 0.00 H new ATOM 0 HA PHE B 55 2.836 -5.024 6.197 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.696 -2.784 6.640 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.887 -2.062 5.575 1.00 0.00 H new ATOM 0 HD1 PHE B 55 1.030 -5.312 5.288 1.00 0.00 H new ATOM 0 HD2 PHE B 55 1.769 -1.454 3.636 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -0.352 -5.882 3.337 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.390 -2.025 1.686 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.673 -4.239 1.533 1.00 0.00 H new ATOM 1496 N LEU B 56 5.582 -3.440 5.443 1.00 0.00 N ATOM 1497 CA LEU B 56 6.750 -3.454 4.567 1.00 0.00 C ATOM 1498 C LEU B 56 7.352 -4.856 4.522 1.00 0.00 C ATOM 1499 O LEU B 56 8.037 -5.223 3.572 1.00 0.00 O ATOM 1500 CB LEU B 56 7.797 -2.450 5.056 1.00 0.00 C ATOM 1501 CG LEU B 56 9.025 -2.295 4.157 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.703 -1.425 2.952 1.00 0.00 C ATOM 1503 CD2 LEU B 56 10.187 -1.711 4.943 1.00 0.00 C ATOM 0 H LEU B 56 5.682 -2.848 6.268 1.00 0.00 H new ATOM 0 HA LEU B 56 6.436 -3.169 3.563 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.320 -1.476 5.163 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.130 -2.752 6.049 1.00 0.00 H new ATOM 0 HG LEU B 56 9.313 -3.282 3.796 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.590 -1.328 2.326 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.900 -1.885 2.375 1.00 0.00 H new ATOM 0 HD13 LEU B 56 8.387 -0.438 3.290 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.053 -1.607 4.289 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.907 -0.732 5.333 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.436 -2.374 5.772 1.00 0.00 H new ATOM 1515 N SER B 57 7.066 -5.645 5.552 1.00 0.00 N ATOM 1516 CA SER B 57 7.567 -7.008 5.635 1.00 0.00 C ATOM 1517 C SER B 57 6.776 -7.934 4.707 1.00 0.00 C ATOM 1518 O SER B 57 7.069 -9.125 4.603 1.00 0.00 O ATOM 1519 CB SER B 57 7.488 -7.511 7.078 1.00 0.00 C ATOM 1520 OG SER B 57 8.258 -6.694 7.949 1.00 0.00 O ATOM 0 H SER B 57 6.488 -5.361 6.343 1.00 0.00 H new ATOM 0 HA SER B 57 8.609 -7.012 5.315 1.00 0.00 H new ATOM 0 HB2 SER B 57 6.449 -7.519 7.407 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.846 -8.539 7.128 1.00 0.00 H new ATOM 0 HG SER B 57 7.896 -5.783 7.949 1.00 0.00 H new ATOM 1526 N ASP B 58 5.768 -7.381 4.043 1.00 0.00 N ATOM 1527 CA ASP B 58 4.943 -8.152 3.121 1.00 0.00 C ATOM 1528 C ASP B 58 4.981 -7.527 1.734 1.00 0.00 C ATOM 1529 O ASP B 58 4.131 -7.808 0.892 1.00 0.00 O ATOM 1530 CB ASP B 58 3.498 -8.233 3.619 1.00 0.00 C ATOM 1531 CG ASP B 58 3.199 -9.549 4.306 1.00 0.00 C ATOM 1532 OD1 ASP B 58 2.993 -10.561 3.606 1.00 0.00 O ATOM 1533 OD2 ASP B 58 3.173 -9.578 5.557 1.00 0.00 O ATOM 0 H ASP B 58 5.502 -6.400 4.126 1.00 0.00 H new ATOM 0 HA ASP B 58 5.346 -9.163 3.068 1.00 0.00 H new ATOM 0 HB2 ASP B 58 3.308 -7.413 4.312 1.00 0.00 H new ATOM 0 HB3 ASP B 58 2.818 -8.103 2.777 1.00 0.00 H new ATOM 1538 N ILE B 59 5.977 -6.678 1.508 1.00 0.00 N ATOM 1539 CA ILE B 59 6.137 -6.004 0.226 1.00 0.00 C ATOM 1540 C ILE B 59 6.565 -7.000 -0.855 1.00 0.00 C ATOM 1541 O ILE B 59 7.350 -7.917 -0.597 1.00 0.00 O ATOM 1542 CB ILE B 59 7.169 -4.846 0.324 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.074 -3.933 -0.899 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.588 -5.384 0.473 1.00 0.00 C ATOM 1545 CD1 ILE B 59 7.846 -2.637 -0.756 1.00 0.00 C ATOM 0 H ILE B 59 6.688 -6.440 2.199 1.00 0.00 H new ATOM 0 HA ILE B 59 5.172 -5.578 -0.048 1.00 0.00 H new ATOM 0 HB ILE B 59 6.931 -4.263 1.214 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.444 -4.471 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.026 -3.702 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.288 -4.551 0.539 1.00 0.00 H new ATOM 0 HG22 ILE B 59 8.655 -5.987 1.378 1.00 0.00 H new ATOM 0 HG23 ILE B 59 8.837 -5.999 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.731 -2.043 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE B 59 7.462 -2.077 0.096 1.00 0.00 H new ATOM 0 HD13 ILE B 59 8.902 -2.858 -0.599 1.00 0.00 H new ATOM 1557 N THR B 60 6.027 -6.837 -2.053 1.00 0.00 N ATOM 1558 CA THR B 60 6.368 -7.715 -3.157 1.00 0.00 C ATOM 1559 C THR B 60 7.354 -7.021 -4.089 1.00 0.00 C ATOM 1560 O THR B 60 7.708 -5.857 -3.876 1.00 0.00 O ATOM 1561 CB THR B 60 5.116 -8.126 -3.960 1.00 0.00 C ATOM 1562 OG1 THR B 60 4.506 -6.969 -4.548 1.00 0.00 O ATOM 1563 CG2 THR B 60 4.108 -8.842 -3.072 1.00 0.00 C ATOM 0 H THR B 60 5.354 -6.106 -2.284 1.00 0.00 H new ATOM 0 HA THR B 60 6.820 -8.614 -2.737 1.00 0.00 H new ATOM 0 HB THR B 60 5.430 -8.811 -4.748 1.00 0.00 H new ATOM 0 HG1 THR B 60 4.007 -6.478 -3.862 1.00 0.00 H new ATOM 0 HG21 THR B 60 3.236 -9.120 -3.663 1.00 0.00 H new ATOM 0 HG22 THR B 60 4.564 -9.739 -2.654 1.00 0.00 H new ATOM 0 HG23 THR B 60 3.801 -8.180 -2.262 1.00 0.00 H new ATOM 1571 N GLU B 61 7.796 -7.727 -5.122 1.00 0.00 N ATOM 1572 CA GLU B 61 8.725 -7.154 -6.083 1.00 0.00 C ATOM 1573 C GLU B 61 8.001 -6.144 -6.968 1.00 0.00 C ATOM 1574 O GLU B 61 8.634 -5.322 -7.636 1.00 0.00 O ATOM 1575 CB GLU B 61 9.373 -8.246 -6.939 1.00 0.00 C ATOM 1576 CG GLU B 61 10.505 -8.983 -6.238 1.00 0.00 C ATOM 1577 CD GLU B 61 11.525 -9.531 -7.216 1.00 0.00 C ATOM 1578 OE1 GLU B 61 11.691 -8.929 -8.298 1.00 0.00 O ATOM 1579 OE2 GLU B 61 12.165 -10.558 -6.909 1.00 0.00 O ATOM 0 H GLU B 61 7.527 -8.692 -5.314 1.00 0.00 H new ATOM 0 HA GLU B 61 9.517 -6.644 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.609 -8.966 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU B 61 9.756 -7.797 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU B 61 11.000 -8.307 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU B 61 10.093 -9.802 -5.649 1.00 0.00 H new ATOM 1586 N GLU B 62 6.671 -6.216 -6.960 1.00 0.00 N ATOM 1587 CA GLU B 62 5.837 -5.308 -7.740 1.00 0.00 C ATOM 1588 C GLU B 62 5.817 -3.940 -7.074 1.00 0.00 C ATOM 1589 O GLU B 62 6.078 -2.916 -7.708 1.00 0.00 O ATOM 1590 CB GLU B 62 4.394 -5.825 -7.826 1.00 0.00 C ATOM 1591 CG GLU B 62 4.265 -7.335 -7.928 1.00 0.00 C ATOM 1592 CD GLU B 62 4.333 -7.829 -9.352 1.00 0.00 C ATOM 1593 OE1 GLU B 62 3.769 -7.165 -10.247 1.00 0.00 O ATOM 1594 OE2 GLU B 62 4.938 -8.892 -9.583 1.00 0.00 O ATOM 0 H GLU B 62 6.146 -6.901 -6.416 1.00 0.00 H new ATOM 0 HA GLU B 62 6.255 -5.242 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU B 62 3.848 -5.486 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU B 62 3.912 -5.374 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU B 62 5.059 -7.804 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU B 62 3.319 -7.646 -7.484 1.00 0.00 H new ATOM 1601 N ASP B 63 5.481 -3.954 -5.786 1.00 0.00 N ATOM 1602 CA ASP B 63 5.399 -2.742 -4.975 1.00 0.00 C ATOM 1603 C ASP B 63 6.669 -1.910 -5.071 1.00 0.00 C ATOM 1604 O ASP B 63 6.594 -0.689 -5.203 1.00 0.00 O ATOM 1605 CB ASP B 63 5.128 -3.086 -3.512 1.00 0.00 C ATOM 1606 CG ASP B 63 3.875 -3.918 -3.313 1.00 0.00 C ATOM 1607 OD1 ASP B 63 2.765 -3.412 -3.579 1.00 0.00 O ATOM 1608 OD2 ASP B 63 4.006 -5.082 -2.882 1.00 0.00 O ATOM 0 H ASP B 63 5.258 -4.808 -5.275 1.00 0.00 H new ATOM 0 HA ASP B 63 4.571 -2.152 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP B 63 5.983 -3.628 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.037 -2.163 -2.940 1.00 0.00 H new ATOM 1613 N LEU B 64 7.835 -2.557 -4.956 1.00 0.00 N ATOM 1614 CA LEU B 64 9.116 -1.862 -5.066 1.00 0.00 C ATOM 1615 C LEU B 64 9.141 -0.973 -6.304 1.00 0.00 C ATOM 1616 O LEU B 64 9.335 0.237 -6.200 1.00 0.00 O ATOM 1617 CB LEU B 64 10.261 -2.881 -5.122 1.00 0.00 C ATOM 1618 CG LEU B 64 10.438 -3.731 -3.862 1.00 0.00 C ATOM 1619 CD1 LEU B 64 11.427 -4.857 -4.114 1.00 0.00 C ATOM 1620 CD2 LEU B 64 10.908 -2.869 -2.702 1.00 0.00 C ATOM 0 H LEU B 64 7.914 -3.560 -4.787 1.00 0.00 H new ATOM 0 HA LEU B 64 9.245 -1.230 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.093 -3.546 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.192 -2.348 -5.315 1.00 0.00 H new ATOM 0 HG LEU B 64 9.473 -4.167 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.541 -5.451 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU B 64 11.058 -5.492 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.393 -4.437 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.029 -3.489 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.862 -2.407 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.170 -2.091 -2.504 1.00 0.00 H new ATOM 1632 N GLU B 65 9.008 -1.603 -7.471 1.00 0.00 N ATOM 1633 CA GLU B 65 8.955 -0.892 -8.749 1.00 0.00 C ATOM 1634 C GLU B 65 8.078 0.361 -8.667 1.00 0.00 C ATOM 1635 O GLU B 65 8.480 1.438 -9.113 1.00 0.00 O ATOM 1636 CB GLU B 65 8.428 -1.833 -9.835 1.00 0.00 C ATOM 1637 CG GLU B 65 8.116 -1.142 -11.151 1.00 0.00 C ATOM 1638 CD GLU B 65 7.789 -2.118 -12.260 1.00 0.00 C ATOM 1639 OE1 GLU B 65 6.599 -2.466 -12.420 1.00 0.00 O ATOM 1640 OE2 GLU B 65 8.720 -2.526 -12.987 1.00 0.00 O ATOM 0 H GLU B 65 8.934 -2.617 -7.558 1.00 0.00 H new ATOM 0 HA GLU B 65 9.965 -0.568 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU B 65 9.166 -2.615 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU B 65 7.525 -2.323 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU B 65 7.275 -0.464 -11.010 1.00 0.00 H new ATOM 0 HG3 GLU B 65 8.970 -0.533 -11.448 1.00 0.00 H new ATOM 1647 N GLU B 66 6.887 0.214 -8.092 1.00 0.00 N ATOM 1648 CA GLU B 66 5.942 1.321 -7.942 1.00 0.00 C ATOM 1649 C GLU B 66 6.535 2.489 -7.147 1.00 0.00 C ATOM 1650 O GLU B 66 6.202 3.648 -7.390 1.00 0.00 O ATOM 1651 CB GLU B 66 4.677 0.812 -7.250 1.00 0.00 C ATOM 1652 CG GLU B 66 3.588 1.859 -7.102 1.00 0.00 C ATOM 1653 CD GLU B 66 2.470 1.404 -6.189 1.00 0.00 C ATOM 1654 OE1 GLU B 66 1.956 0.284 -6.384 1.00 0.00 O ATOM 1655 OE2 GLU B 66 2.090 2.165 -5.278 1.00 0.00 O ATOM 0 H GLU B 66 6.549 -0.673 -7.717 1.00 0.00 H new ATOM 0 HA GLU B 66 5.706 1.696 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU B 66 4.281 -0.032 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU B 66 4.942 0.437 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU B 66 4.023 2.778 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU B 66 3.178 2.094 -8.084 1.00 0.00 H new ATOM 1662 N ALA B 67 7.416 2.182 -6.207 1.00 0.00 N ATOM 1663 CA ALA B 67 8.038 3.210 -5.381 1.00 0.00 C ATOM 1664 C ALA B 67 9.290 3.779 -6.045 1.00 0.00 C ATOM 1665 O ALA B 67 9.999 4.594 -5.454 1.00 0.00 O ATOM 1666 CB ALA B 67 8.372 2.653 -4.006 1.00 0.00 C ATOM 0 H ALA B 67 7.717 1.231 -5.996 1.00 0.00 H new ATOM 0 HA ALA B 67 7.323 4.025 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA B 67 8.836 3.432 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA B 67 7.458 2.312 -3.520 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.062 1.816 -4.110 1.00 0.00 H new ATOM 1672 N GLY B 68 9.566 3.345 -7.269 1.00 0.00 N ATOM 1673 CA GLY B 68 10.729 3.836 -7.983 1.00 0.00 C ATOM 1674 C GLY B 68 11.902 2.879 -7.916 1.00 0.00 C ATOM 1675 O GLY B 68 12.907 3.066 -8.603 1.00 0.00 O ATOM 0 H GLY B 68 9.006 2.662 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY B 68 10.464 4.008 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY B 68 11.026 4.799 -7.567 1.00 0.00 H new ATOM 1679 N VAL B 69 11.774 1.843 -7.098 1.00 0.00 N ATOM 1680 CA VAL B 69 12.837 0.860 -6.950 1.00 0.00 C ATOM 1681 C VAL B 69 12.765 -0.163 -8.081 1.00 0.00 C ATOM 1682 O VAL B 69 12.302 -1.288 -7.895 1.00 0.00 O ATOM 1683 CB VAL B 69 12.766 0.134 -5.587 1.00 0.00 C ATOM 1684 CG1 VAL B 69 14.042 -0.655 -5.328 1.00 0.00 C ATOM 1685 CG2 VAL B 69 12.511 1.121 -4.455 1.00 0.00 C ATOM 0 H VAL B 69 10.947 1.662 -6.529 1.00 0.00 H new ATOM 0 HA VAL B 69 13.786 1.395 -6.995 1.00 0.00 H new ATOM 0 HB VAL B 69 11.930 -0.565 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL B 69 13.970 -1.158 -4.363 1.00 0.00 H new ATOM 0 HG12 VAL B 69 14.177 -1.397 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL B 69 14.894 0.024 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL B 69 12.466 0.584 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.319 1.851 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL B 69 11.565 1.635 -4.626 1.00 0.00 H new ATOM 1695 N GLN B 70 13.201 0.250 -9.263 1.00 0.00 N ATOM 1696 CA GLN B 70 13.185 -0.620 -10.432 1.00 0.00 C ATOM 1697 C GLN B 70 14.542 -1.277 -10.651 1.00 0.00 C ATOM 1698 O GLN B 70 14.662 -2.217 -11.434 1.00 0.00 O ATOM 1699 CB GLN B 70 12.790 0.175 -11.678 1.00 0.00 C ATOM 1700 CG GLN B 70 11.292 0.219 -11.922 1.00 0.00 C ATOM 1701 CD GLN B 70 10.909 1.171 -13.038 1.00 0.00 C ATOM 1702 OE1 GLN B 70 11.552 2.197 -13.245 1.00 0.00 O ATOM 1703 NE2 GLN B 70 9.862 0.829 -13.773 1.00 0.00 N ATOM 0 H GLN B 70 13.571 1.184 -9.438 1.00 0.00 H new ATOM 0 HA GLN B 70 12.449 -1.404 -10.254 1.00 0.00 H new ATOM 0 HB2 GLN B 70 13.164 1.194 -11.582 1.00 0.00 H new ATOM 0 HB3 GLN B 70 13.279 -0.263 -12.548 1.00 0.00 H new ATOM 0 HG2 GLN B 70 10.938 -0.783 -12.167 1.00 0.00 H new ATOM 0 HG3 GLN B 70 10.787 0.520 -11.004 1.00 0.00 H new ATOM 0 HE21 GLN B 70 9.355 -0.032 -13.568 1.00 0.00 H new ATOM 0 HE22 GLN B 70 9.563 1.426 -14.544 1.00 0.00 H new ATOM 1712 N ASP B 71 15.558 -0.787 -9.959 1.00 0.00 N ATOM 1713 CA ASP B 71 16.903 -1.332 -10.099 1.00 0.00 C ATOM 1714 C ASP B 71 16.989 -2.734 -9.503 1.00 0.00 C ATOM 1715 O ASP B 71 16.575 -2.957 -8.364 1.00 0.00 O ATOM 1716 CB ASP B 71 17.932 -0.420 -9.436 1.00 0.00 C ATOM 1717 CG ASP B 71 19.334 -0.992 -9.507 1.00 0.00 C ATOM 1718 OD1 ASP B 71 19.939 -0.961 -10.597 1.00 0.00 O ATOM 1719 OD2 ASP B 71 19.837 -1.475 -8.472 1.00 0.00 O ATOM 0 H ASP B 71 15.480 -0.016 -9.296 1.00 0.00 H new ATOM 0 HA ASP B 71 17.125 -1.393 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP B 71 17.915 0.556 -9.920 1.00 0.00 H new ATOM 0 HB3 ASP B 71 17.658 -0.264 -8.393 1.00 0.00 H new ATOM 1724 N PRO B 72 17.516 -3.696 -10.281 1.00 0.00 N ATOM 1725 CA PRO B 72 17.659 -5.094 -9.851 1.00 0.00 C ATOM 1726 C PRO B 72 18.383 -5.246 -8.515 1.00 0.00 C ATOM 1727 O PRO B 72 17.849 -5.852 -7.583 1.00 0.00 O ATOM 1728 CB PRO B 72 18.483 -5.727 -10.972 1.00 0.00 C ATOM 1729 CG PRO B 72 18.195 -4.896 -12.169 1.00 0.00 C ATOM 1730 CD PRO B 72 18.003 -3.497 -11.660 1.00 0.00 C ATOM 0 HA PRO B 72 16.686 -5.559 -9.690 1.00 0.00 H new ATOM 0 HB2 PRO B 72 19.546 -5.721 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO B 72 18.198 -6.767 -11.134 1.00 0.00 H new ATOM 0 HG2 PRO B 72 19.016 -4.943 -12.884 1.00 0.00 H new ATOM 0 HG3 PRO B 72 17.303 -5.250 -12.685 1.00 0.00 H new ATOM 0 HD2 PRO B 72 18.935 -2.932 -11.679 1.00 0.00 H new ATOM 0 HD3 PRO B 72 17.283 -2.945 -12.264 1.00 0.00 H new ATOM 1738 N ALA B 73 19.595 -4.701 -8.422 1.00 0.00 N ATOM 1739 CA ALA B 73 20.385 -4.789 -7.199 1.00 0.00 C ATOM 1740 C ALA B 73 19.655 -4.171 -6.013 1.00 0.00 C ATOM 1741 O ALA B 73 19.645 -4.739 -4.921 1.00 0.00 O ATOM 1742 CB ALA B 73 21.742 -4.125 -7.389 1.00 0.00 C ATOM 0 H ALA B 73 20.050 -4.194 -9.181 1.00 0.00 H new ATOM 0 HA ALA B 73 20.537 -5.846 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA B 73 22.317 -4.201 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA B 73 22.281 -4.624 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA B 73 21.601 -3.074 -7.643 1.00 0.00 H new ATOM 1748 N HIS B 74 19.038 -3.015 -6.232 1.00 0.00 N ATOM 1749 CA HIS B 74 18.304 -2.335 -5.170 1.00 0.00 C ATOM 1750 C HIS B 74 17.149 -3.198 -4.670 1.00 0.00 C ATOM 1751 O HIS B 74 16.904 -3.276 -3.465 1.00 0.00 O ATOM 1752 CB HIS B 74 17.789 -0.977 -5.646 1.00 0.00 C ATOM 1753 CG HIS B 74 18.819 0.111 -5.564 1.00 0.00 C ATOM 1754 ND1 HIS B 74 19.808 0.306 -6.499 1.00 0.00 N ATOM 1755 CD2 HIS B 74 18.998 1.074 -4.627 1.00 0.00 C ATOM 1756 CE1 HIS B 74 20.543 1.354 -6.115 1.00 0.00 C ATOM 1757 NE2 HIS B 74 20.092 1.859 -4.982 1.00 0.00 N ATOM 0 H HIS B 74 19.031 -2.531 -7.130 1.00 0.00 H new ATOM 0 HA HIS B 74 18.992 -2.168 -4.341 1.00 0.00 H new ATOM 0 HB2 HIS B 74 17.447 -1.067 -6.677 1.00 0.00 H new ATOM 0 HB3 HIS B 74 16.924 -0.694 -5.047 1.00 0.00 H new ATOM 0 HD1 HIS B 74 19.955 -0.252 -7.340 1.00 0.00 H new ATOM 0 HD2 HIS B 74 18.389 1.211 -3.746 1.00 0.00 H new ATOM 0 HE1 HIS B 74 21.393 1.737 -6.660 1.00 0.00 H new ATOM 1765 N LYS B 75 16.449 -3.852 -5.596 1.00 0.00 N ATOM 1766 CA LYS B 75 15.341 -4.726 -5.230 1.00 0.00 C ATOM 1767 C LYS B 75 15.860 -5.903 -4.409 1.00 0.00 C ATOM 1768 O LYS B 75 15.312 -6.231 -3.356 1.00 0.00 O ATOM 1769 CB LYS B 75 14.608 -5.242 -6.474 1.00 0.00 C ATOM 1770 CG LYS B 75 13.737 -4.195 -7.155 1.00 0.00 C ATOM 1771 CD LYS B 75 12.529 -4.825 -7.835 1.00 0.00 C ATOM 1772 CE LYS B 75 12.927 -5.675 -9.031 1.00 0.00 C ATOM 1773 NZ LYS B 75 11.816 -6.560 -9.473 1.00 0.00 N ATOM 0 H LYS B 75 16.630 -3.793 -6.598 1.00 0.00 H new ATOM 0 HA LYS B 75 14.634 -4.148 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS B 75 15.343 -5.611 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS B 75 13.985 -6.090 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS B 75 13.401 -3.466 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS B 75 14.329 -3.653 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS B 75 11.989 -5.441 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS B 75 11.846 -4.040 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS B 75 13.225 -5.027 -9.855 1.00 0.00 H new ATOM 0 HE3 LYS B 75 13.795 -6.282 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 11.965 -6.835 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 11.793 -7.412 -8.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 10.912 -6.053 -9.386 1.00 0.00 H new ATOM 1787 N ARG B 76 16.926 -6.521 -4.906 1.00 0.00 N ATOM 1788 CA ARG B 76 17.549 -7.657 -4.231 1.00 0.00 C ATOM 1789 C ARG B 76 17.985 -7.271 -2.818 1.00 0.00 C ATOM 1790 O ARG B 76 17.682 -7.976 -1.853 1.00 0.00 O ATOM 1791 CB ARG B 76 18.749 -8.166 -5.046 1.00 0.00 C ATOM 1792 CG ARG B 76 19.621 -9.180 -4.315 1.00 0.00 C ATOM 1793 CD ARG B 76 18.864 -10.460 -3.993 1.00 0.00 C ATOM 1794 NE ARG B 76 19.623 -11.324 -3.089 1.00 0.00 N ATOM 1795 CZ ARG B 76 19.382 -11.444 -1.782 1.00 0.00 C ATOM 1796 NH1 ARG B 76 18.382 -10.780 -1.215 1.00 0.00 N ATOM 1797 NH2 ARG B 76 20.144 -12.227 -1.036 1.00 0.00 N ATOM 0 H ARG B 76 17.380 -6.253 -5.779 1.00 0.00 H new ATOM 0 HA ARG B 76 16.815 -8.459 -4.153 1.00 0.00 H new ATOM 0 HB2 ARG B 76 18.382 -8.618 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG B 76 19.366 -7.314 -5.333 1.00 0.00 H new ATOM 0 HG2 ARG B 76 20.490 -9.418 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG B 76 19.994 -8.738 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG B 76 17.905 -10.211 -3.539 1.00 0.00 H new ATOM 0 HD3 ARG B 76 18.650 -10.998 -4.916 1.00 0.00 H new ATOM 0 HE ARG B 76 20.388 -11.871 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG B 76 17.789 -10.171 -1.779 1.00 0.00 H new ATOM 0 HH12 ARG B 76 18.206 -10.879 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG B 76 20.917 -12.740 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG B 76 19.958 -12.318 -0.037 1.00 0.00 H new ATOM 1811 N LEU B 77 18.700 -6.156 -2.709 1.00 0.00 N ATOM 1812 CA LEU B 77 19.181 -5.663 -1.424 1.00 0.00 C ATOM 1813 C LEU B 77 18.041 -5.432 -0.440 1.00 0.00 C ATOM 1814 O LEU B 77 18.108 -5.877 0.705 1.00 0.00 O ATOM 1815 CB LEU B 77 19.963 -4.363 -1.617 1.00 0.00 C ATOM 1816 CG LEU B 77 21.485 -4.495 -1.525 1.00 0.00 C ATOM 1817 CD1 LEU B 77 21.899 -4.999 -0.151 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.009 -5.417 -2.616 1.00 0.00 C ATOM 0 H LEU B 77 18.961 -5.572 -3.504 1.00 0.00 H new ATOM 0 HA LEU B 77 19.835 -6.429 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU B 77 19.709 -3.947 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.631 -3.644 -0.868 1.00 0.00 H new ATOM 0 HG LEU B 77 21.923 -3.508 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU B 77 22.985 -5.086 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU B 77 21.560 -4.298 0.611 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.450 -5.976 0.029 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.093 -5.498 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU B 77 21.562 -6.405 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU B 77 21.748 -5.010 -3.593 1.00 0.00 H new ATOM 1830 N LEU B 78 16.999 -4.741 -0.886 1.00 0.00 N ATOM 1831 CA LEU B 78 15.857 -4.455 -0.024 1.00 0.00 C ATOM 1832 C LEU B 78 15.234 -5.751 0.489 1.00 0.00 C ATOM 1833 O LEU B 78 14.937 -5.875 1.678 1.00 0.00 O ATOM 1834 CB LEU B 78 14.815 -3.617 -0.770 1.00 0.00 C ATOM 1835 CG LEU B 78 14.189 -2.488 0.052 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.823 -1.320 -0.848 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.962 -2.984 0.805 1.00 0.00 C ATOM 0 H LEU B 78 16.920 -4.370 -1.833 1.00 0.00 H new ATOM 0 HA LEU B 78 16.210 -3.881 0.832 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.283 -3.186 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.021 -4.277 -1.118 1.00 0.00 H new ATOM 0 HG LEU B 78 14.923 -2.149 0.783 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.379 -0.525 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.720 -0.945 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.107 -1.651 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.534 -2.165 1.382 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.223 -3.352 0.094 1.00 0.00 H new ATOM 0 HD23 LEU B 78 13.250 -3.791 1.479 1.00 0.00 H new ATOM 1849 N LEU B 79 15.053 -6.712 -0.411 1.00 0.00 N ATOM 1850 CA LEU B 79 14.484 -8.010 -0.053 1.00 0.00 C ATOM 1851 C LEU B 79 15.318 -8.698 1.026 1.00 0.00 C ATOM 1852 O LEU B 79 14.780 -9.360 1.911 1.00 0.00 O ATOM 1853 CB LEU B 79 14.393 -8.905 -1.292 1.00 0.00 C ATOM 1854 CG LEU B 79 12.973 -9.214 -1.777 1.00 0.00 C ATOM 1855 CD1 LEU B 79 12.252 -7.941 -2.195 1.00 0.00 C ATOM 1856 CD2 LEU B 79 13.013 -10.206 -2.928 1.00 0.00 C ATOM 0 H LEU B 79 15.293 -6.617 -1.398 1.00 0.00 H new ATOM 0 HA LEU B 79 13.483 -7.842 0.344 1.00 0.00 H new ATOM 0 HB2 LEU B 79 14.940 -8.428 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU B 79 14.898 -9.847 -1.077 1.00 0.00 H new ATOM 0 HG LEU B 79 12.419 -9.660 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.246 -8.187 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU B 79 12.191 -7.261 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU B 79 12.801 -7.461 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.997 -10.416 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU B 79 13.586 -9.783 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU B 79 13.484 -11.131 -2.595 1.00 0.00 H new ATOM 1868 N ASP B 80 16.633 -8.532 0.951 1.00 0.00 N ATOM 1869 CA ASP B 80 17.538 -9.132 1.928 1.00 0.00 C ATOM 1870 C ASP B 80 17.454 -8.384 3.253 1.00 0.00 C ATOM 1871 O ASP B 80 17.493 -8.985 4.329 1.00 0.00 O ATOM 1872 CB ASP B 80 18.977 -9.112 1.414 1.00 0.00 C ATOM 1873 CG ASP B 80 19.753 -10.345 1.829 1.00 0.00 C ATOM 1874 OD1 ASP B 80 19.325 -11.463 1.470 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.805 -10.203 2.483 1.00 0.00 O ATOM 0 H ASP B 80 17.098 -7.987 0.225 1.00 0.00 H new ATOM 0 HA ASP B 80 17.236 -10.168 2.082 1.00 0.00 H new ATOM 0 HB2 ASP B 80 18.971 -9.038 0.327 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.483 -8.223 1.791 1.00 0.00 H new ATOM 1880 N THR B 81 17.316 -7.066 3.158 1.00 0.00 N ATOM 1881 CA THR B 81 17.224 -6.205 4.331 1.00 0.00 C ATOM 1882 C THR B 81 16.010 -6.566 5.185 1.00 0.00 C ATOM 1883 O THR B 81 16.059 -6.472 6.413 1.00 0.00 O ATOM 1884 CB THR B 81 17.154 -4.722 3.919 1.00 0.00 C ATOM 1885 OG1 THR B 81 18.175 -4.444 2.956 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.337 -3.806 5.122 1.00 0.00 C ATOM 0 H THR B 81 17.265 -6.567 2.270 1.00 0.00 H new ATOM 0 HA THR B 81 18.124 -6.362 4.925 1.00 0.00 H new ATOM 0 HB THR B 81 16.170 -4.535 3.489 1.00 0.00 H new ATOM 0 HG1 THR B 81 17.872 -4.725 2.067 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.283 -2.766 4.799 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.550 -4.001 5.851 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.309 -3.994 5.578 1.00 0.00 H new ATOM 1894 N LEU B 82 14.927 -6.983 4.521 1.00 0.00 N ATOM 1895 CA LEU B 82 13.694 -7.388 5.201 1.00 0.00 C ATOM 1896 C LEU B 82 13.976 -8.450 6.261 1.00 0.00 C ATOM 1897 O LEU B 82 13.273 -8.543 7.267 1.00 0.00 O ATOM 1898 CB LEU B 82 12.681 -7.932 4.188 1.00 0.00 C ATOM 1899 CG LEU B 82 12.189 -6.929 3.141 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.312 -7.623 2.110 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.428 -5.794 3.809 1.00 0.00 C ATOM 0 H LEU B 82 14.881 -7.049 3.504 1.00 0.00 H new ATOM 0 HA LEU B 82 13.279 -6.507 5.691 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.131 -8.779 3.670 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.818 -8.314 4.733 1.00 0.00 H new ATOM 0 HG LEU B 82 13.056 -6.510 2.630 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.971 -6.895 1.373 1.00 0.00 H new ATOM 0 HD12 LEU B 82 11.886 -8.403 1.610 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.450 -8.068 2.606 1.00 0.00 H new ATOM 0 HD21 LEU B 82 11.085 -5.090 3.051 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.569 -6.198 4.344 1.00 0.00 H new ATOM 0 HD23 LEU B 82 12.084 -5.280 4.511 1.00 0.00 H new ATOM 1913 N GLN B 83 14.989 -9.267 6.013 1.00 0.00 N ATOM 1914 CA GLN B 83 15.375 -10.305 6.953 1.00 0.00 C ATOM 1915 C GLN B 83 16.504 -9.805 7.847 1.00 0.00 C ATOM 1916 O GLN B 83 16.445 -9.936 9.070 1.00 0.00 O ATOM 1917 CB GLN B 83 15.803 -11.570 6.208 1.00 0.00 C ATOM 1918 CG GLN B 83 14.755 -12.084 5.233 1.00 0.00 C ATOM 1919 CD GLN B 83 15.008 -13.513 4.791 1.00 0.00 C ATOM 1920 OE1 GLN B 83 16.149 -13.966 4.733 1.00 0.00 O ATOM 1921 NE2 GLN B 83 13.942 -14.232 4.480 1.00 0.00 N ATOM 0 H GLN B 83 15.558 -9.230 5.167 1.00 0.00 H new ATOM 0 HA GLN B 83 14.515 -10.550 7.577 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.725 -11.367 5.664 1.00 0.00 H new ATOM 0 HB3 GLN B 83 16.027 -12.352 6.934 1.00 0.00 H new ATOM 0 HG2 GLN B 83 13.772 -12.022 5.699 1.00 0.00 H new ATOM 0 HG3 GLN B 83 14.734 -11.437 4.356 1.00 0.00 H new ATOM 0 HE21 GLN B 83 13.012 -13.818 4.542 1.00 0.00 H new ATOM 0 HE22 GLN B 83 14.050 -15.200 4.179 1.00 0.00 H new ATOM 1930 N LEU B 84 17.532 -9.244 7.215 1.00 0.00 N ATOM 1931 CA LEU B 84 18.695 -8.698 7.918 1.00 0.00 C ATOM 1932 C LEU B 84 18.307 -7.805 9.099 1.00 0.00 C ATOM 1933 O LEU B 84 18.832 -7.969 10.201 1.00 0.00 O ATOM 1934 CB LEU B 84 19.563 -7.901 6.938 1.00 0.00 C ATOM 1935 CG LEU B 84 20.744 -7.151 7.559 1.00 0.00 C ATOM 1936 CD1 LEU B 84 21.906 -8.094 7.828 1.00 0.00 C ATOM 1937 CD2 LEU B 84 21.180 -6.009 6.654 1.00 0.00 C ATOM 0 H LEU B 84 17.584 -9.154 6.200 1.00 0.00 H new ATOM 0 HA LEU B 84 19.252 -9.544 8.321 1.00 0.00 H new ATOM 0 HB2 LEU B 84 19.948 -8.585 6.182 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.929 -7.180 6.422 1.00 0.00 H new ATOM 0 HG LEU B 84 20.421 -6.735 8.513 1.00 0.00 H new ATOM 0 HD11 LEU B 84 22.732 -7.537 8.269 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.588 -8.877 8.517 1.00 0.00 H new ATOM 0 HD13 LEU B 84 22.232 -8.546 6.891 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.021 -5.485 7.109 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.482 -6.407 5.685 1.00 0.00 H new ATOM 0 HD23 LEU B 84 20.350 -5.315 6.518 1.00 0.00 H new