USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1007 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 171:sc= 0.209 USER MOD Set 1.2: A 83 SER OG : rot 98:sc= 0.123 USER MOD Set 2.1: A 57 TYR OH : rot -51:sc= -0.568! USER MOD Set 2.2: B 204 A O2' : rot 176:sc= 0.883 USER MOD Set 3.1: A 41 ASN : amide:sc= 0.32 K(o=1.6,f=-0.42) USER MOD Set 3.2: A 122 GLN : amide:sc= 1.24 K(o=1.6,f=-0.42) USER MOD Set 4.1: A 25 ASN : amide:sc= 0.32 K(o=0.49,f=-1.3) USER MOD Set 4.2: A 96 GLN : amide:sc= 0.175 K(o=0.49,f=-0.8) USER MOD Set 5.1: A 19 LYS NZ :NH3+ 171:sc= 1.08 (180deg=-0.0725) USER MOD Set 5.2: A 21 ASN : amide:sc= 0.898 K(o=2,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0877 (180deg=0) USER MOD Single : A 3 MET CE :methyl -110:sc= -0.518 (180deg=-1.18) USER MOD Single : A 5 MET CE :methyl 165:sc= -2.57 (180deg=-3.23!) USER MOD Single : A 7 MET CE :methyl -120:sc= -1.01 (180deg=-4.4!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -80:sc= -0.0631 USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.19) USER MOD Single : A 22 ASN : amide:sc= -2.73! C(o=-2.7!,f=-2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 40:sc= 1.18 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -99:sc= -1.06 USER MOD Single : A 44 TYR OH : rot 123:sc= -1.96! USER MOD Single : A 45 THR OG1 : rot 43:sc= 0.509 USER MOD Single : A 48 GLN : amide:sc= -0.974 K(o=-0.97,f=0) USER MOD Single : A 49 SER OG : rot 157:sc= 0.972 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.0046) USER MOD Single : A 63 SER OG : rot -130:sc=-0.00466 USER MOD Single : A 68 SER OG : rot -35:sc= 0.086 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -144:sc= 1.38 (180deg=0.785) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0.417) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 79:sc= 1.28 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.0503 (180deg=-0.274) USER MOD Single : A 98 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-3.9!) USER MOD Single : A 99 CYS SG : rot 74:sc= 0.305 USER MOD Single : A 101 ASN : amide:sc= -0.0656 K(o=-0.066,f=-1.4!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -123:sc= 0.245 (180deg=-0.571) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 59:sc= -2.08! USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 205 C O2' : rot 138:sc= 0.274 USER MOD Single : B 205 C O3' : rot 138:sc= 0.665 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.882 14.476 7.912 1.00 4.50 N ATOM 2 CA GLY A 1 -6.403 14.688 6.544 1.00 3.82 C ATOM 3 C GLY A 1 -7.823 15.204 6.559 1.00 3.11 C ATOM 4 O GLY A 1 -8.443 15.292 7.617 1.00 3.68 O ATOM 0 H1 GLY A 1 -5.074 15.109 8.078 1.00 4.50 H new ATOM 0 H2 GLY A 1 -6.630 14.682 8.604 1.00 4.50 H new ATOM 0 H3 GLY A 1 -5.575 13.488 8.017 1.00 4.50 H new ATOM 0 HA2 GLY A 1 -5.764 15.397 6.017 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -6.363 13.750 5.990 1.00 3.82 H new ATOM 10 N ALA A 2 -8.347 15.526 5.390 1.00 2.29 N ATOM 11 CA ALA A 2 -9.703 16.027 5.273 1.00 2.08 C ATOM 12 C ALA A 2 -10.649 14.881 4.941 1.00 1.48 C ATOM 13 O ALA A 2 -10.801 14.504 3.775 1.00 1.84 O ATOM 14 CB ALA A 2 -9.781 17.115 4.211 1.00 2.71 C ATOM 0 H ALA A 2 -7.849 15.448 4.503 1.00 2.29 H new ATOM 0 HA ALA A 2 -10.002 16.464 6.225 1.00 2.08 H new ATOM 0 HB1 ALA A 2 -10.806 17.479 4.137 1.00 2.71 H new ATOM 0 HB2 ALA A 2 -9.122 17.939 4.485 1.00 2.71 H new ATOM 0 HB3 ALA A 2 -9.471 16.707 3.249 1.00 2.71 H new ATOM 20 N MET A 3 -11.265 14.318 5.983 1.00 1.46 N ATOM 21 CA MET A 3 -12.135 13.157 5.835 1.00 1.11 C ATOM 22 C MET A 3 -11.353 12.004 5.226 1.00 0.83 C ATOM 23 O MET A 3 -11.820 11.308 4.319 1.00 0.86 O ATOM 24 CB MET A 3 -13.366 13.499 4.989 1.00 1.57 C ATOM 25 CG MET A 3 -14.501 14.146 5.775 1.00 2.17 C ATOM 26 SD MET A 3 -14.032 15.694 6.585 1.00 3.21 S ATOM 27 CE MET A 3 -13.662 16.737 5.174 1.00 4.12 C ATOM 0 H MET A 3 -11.174 14.652 6.942 1.00 1.46 H new ATOM 0 HA MET A 3 -12.491 12.855 6.820 1.00 1.11 H new ATOM 0 HB2 MET A 3 -13.066 14.171 4.185 1.00 1.57 H new ATOM 0 HB3 MET A 3 -13.736 12.587 4.521 1.00 1.57 H new ATOM 0 HG2 MET A 3 -15.336 14.337 5.101 1.00 2.17 H new ATOM 0 HG3 MET A 3 -14.855 13.444 6.530 1.00 2.17 H new ATOM 0 HE1 MET A 3 -12.589 16.922 5.130 1.00 4.12 H new ATOM 0 HE2 MET A 3 -13.982 16.239 4.259 1.00 4.12 H new ATOM 0 HE3 MET A 3 -14.190 17.685 5.274 1.00 4.12 H new ATOM 37 N ALA A 4 -10.148 11.818 5.745 1.00 0.78 N ATOM 38 CA ALA A 4 -9.231 10.816 5.233 1.00 0.62 C ATOM 39 C ALA A 4 -9.551 9.442 5.794 1.00 0.57 C ATOM 40 O ALA A 4 -9.251 9.143 6.950 1.00 0.79 O ATOM 41 CB ALA A 4 -7.795 11.198 5.560 1.00 0.73 C ATOM 0 H ALA A 4 -9.782 12.356 6.530 1.00 0.78 H new ATOM 0 HA ALA A 4 -9.348 10.774 4.150 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -7.118 10.438 5.170 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -7.561 12.160 5.104 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -7.675 11.271 6.641 1.00 0.73 H new ATOM 47 N MET A 5 -10.166 8.615 4.971 1.00 0.40 N ATOM 48 CA MET A 5 -10.492 7.256 5.352 1.00 0.39 C ATOM 49 C MET A 5 -9.324 6.336 5.051 1.00 0.36 C ATOM 50 O MET A 5 -8.852 6.289 3.921 1.00 0.38 O ATOM 51 CB MET A 5 -11.723 6.763 4.585 1.00 0.41 C ATOM 52 CG MET A 5 -13.044 7.282 5.123 1.00 0.47 C ATOM 53 SD MET A 5 -14.464 6.494 4.340 1.00 0.54 S ATOM 54 CE MET A 5 -14.225 4.797 4.856 1.00 1.31 C ATOM 0 H MET A 5 -10.452 8.865 4.024 1.00 0.40 H new ATOM 0 HA MET A 5 -10.705 7.245 6.421 1.00 0.39 H new ATOM 0 HB2 MET A 5 -11.628 7.059 3.540 1.00 0.41 H new ATOM 0 HB3 MET A 5 -11.738 5.673 4.607 1.00 0.41 H new ATOM 0 HG2 MET A 5 -13.086 7.113 6.199 1.00 0.47 H new ATOM 0 HG3 MET A 5 -13.098 8.359 4.967 1.00 0.47 H new ATOM 0 HE1 MET A 5 -15.142 4.233 4.687 1.00 1.31 H new ATOM 0 HE2 MET A 5 -13.414 4.352 4.280 1.00 1.31 H new ATOM 0 HE3 MET A 5 -13.974 4.771 5.916 1.00 1.31 H new ATOM 64 N PRO A 6 -8.817 5.608 6.051 1.00 0.38 N ATOM 65 CA PRO A 6 -7.837 4.558 5.804 1.00 0.37 C ATOM 66 C PRO A 6 -8.408 3.568 4.799 1.00 0.32 C ATOM 67 O PRO A 6 -9.551 3.134 4.933 1.00 0.30 O ATOM 68 CB PRO A 6 -7.651 3.903 7.174 1.00 0.47 C ATOM 69 CG PRO A 6 -8.074 4.940 8.157 1.00 0.53 C ATOM 70 CD PRO A 6 -9.150 5.741 7.478 1.00 0.49 C ATOM 0 HA PRO A 6 -6.896 4.922 5.393 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -8.257 3.001 7.266 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -6.614 3.608 7.333 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -8.448 4.481 9.072 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -7.234 5.575 8.440 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -10.143 5.349 7.698 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -9.140 6.783 7.799 1.00 0.49 H new ATOM 78 N MET A 7 -7.632 3.246 3.774 1.00 0.31 N ATOM 79 CA MET A 7 -8.135 2.439 2.665 1.00 0.28 C ATOM 80 C MET A 7 -8.593 1.054 3.115 1.00 0.27 C ATOM 81 O MET A 7 -9.413 0.426 2.454 1.00 0.29 O ATOM 82 CB MET A 7 -7.093 2.322 1.559 1.00 0.30 C ATOM 83 CG MET A 7 -6.851 3.617 0.803 1.00 0.33 C ATOM 84 SD MET A 7 -6.002 3.348 -0.761 1.00 1.17 S ATOM 85 CE MET A 7 -7.209 2.346 -1.623 1.00 0.48 C ATOM 0 H MET A 7 -6.656 3.528 3.685 1.00 0.31 H new ATOM 0 HA MET A 7 -9.009 2.957 2.271 1.00 0.28 H new ATOM 0 HB2 MET A 7 -6.152 1.985 1.994 1.00 0.30 H new ATOM 0 HB3 MET A 7 -7.411 1.555 0.853 1.00 0.30 H new ATOM 0 HG2 MET A 7 -7.805 4.109 0.616 1.00 0.33 H new ATOM 0 HG3 MET A 7 -6.261 4.292 1.423 1.00 0.33 H new ATOM 0 HE1 MET A 7 -6.768 1.382 -1.876 1.00 0.48 H new ATOM 0 HE2 MET A 7 -8.077 2.191 -0.983 1.00 0.48 H new ATOM 0 HE3 MET A 7 -7.518 2.854 -2.536 1.00 0.48 H new ATOM 95 N ILE A 8 -8.075 0.585 4.241 1.00 0.26 N ATOM 96 CA ILE A 8 -8.550 -0.661 4.826 1.00 0.25 C ATOM 97 C ILE A 8 -9.969 -0.465 5.355 1.00 0.24 C ATOM 98 O ILE A 8 -10.871 -1.243 5.049 1.00 0.26 O ATOM 99 CB ILE A 8 -7.618 -1.140 5.959 1.00 0.23 C ATOM 100 CG1 ILE A 8 -6.221 -1.451 5.400 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.202 -2.353 6.667 1.00 0.25 C ATOM 102 CD1 ILE A 8 -6.206 -2.560 4.366 1.00 0.27 C ATOM 0 H ILE A 8 -7.330 1.045 4.765 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.551 -1.429 4.052 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.527 -0.340 6.693 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -5.809 -0.546 4.954 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -5.564 -1.727 6.224 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -7.526 -2.671 7.461 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.170 -2.093 7.096 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.329 -3.166 5.952 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -5.185 -2.721 4.019 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -6.586 -3.479 4.812 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -6.836 -2.279 3.522 1.00 0.27 H new ATOM 114 N GLU A 9 -10.151 0.612 6.113 1.00 0.26 N ATOM 115 CA GLU A 9 -11.463 1.029 6.610 1.00 0.28 C ATOM 116 C GLU A 9 -12.452 1.185 5.450 1.00 0.26 C ATOM 117 O GLU A 9 -13.631 0.851 5.567 1.00 0.28 O ATOM 118 CB GLU A 9 -11.305 2.368 7.349 1.00 0.32 C ATOM 119 CG GLU A 9 -12.595 2.981 7.873 1.00 0.40 C ATOM 120 CD GLU A 9 -13.053 2.363 9.175 1.00 0.87 C ATOM 121 OE1 GLU A 9 -12.304 2.431 10.164 1.00 1.01 O ATOM 122 OE2 GLU A 9 -14.167 1.798 9.209 1.00 1.62 O ATOM 0 H GLU A 9 -9.389 1.225 6.403 1.00 0.26 H new ATOM 0 HA GLU A 9 -11.853 0.271 7.289 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -10.625 2.222 8.188 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -10.831 3.082 6.675 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -12.451 4.052 8.016 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -13.378 2.862 7.125 1.00 0.40 H new ATOM 129 N TYR A 10 -11.947 1.689 4.328 1.00 0.28 N ATOM 130 CA TYR A 10 -12.754 1.888 3.129 1.00 0.29 C ATOM 131 C TYR A 10 -13.296 0.549 2.623 1.00 0.28 C ATOM 132 O TYR A 10 -14.496 0.398 2.382 1.00 0.31 O ATOM 133 CB TYR A 10 -11.915 2.570 2.037 1.00 0.31 C ATOM 134 CG TYR A 10 -12.728 3.186 0.914 1.00 0.39 C ATOM 135 CD1 TYR A 10 -13.356 4.412 1.090 1.00 0.50 C ATOM 136 CD2 TYR A 10 -12.861 2.554 -0.318 1.00 0.47 C ATOM 137 CE1 TYR A 10 -14.092 4.991 0.076 1.00 0.59 C ATOM 138 CE2 TYR A 10 -13.599 3.128 -1.339 1.00 0.57 C ATOM 139 CZ TYR A 10 -14.213 4.346 -1.135 1.00 0.60 C ATOM 140 OH TYR A 10 -14.946 4.926 -2.148 1.00 0.71 O ATOM 0 H TYR A 10 -10.972 1.970 4.224 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.598 2.531 3.378 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.306 3.348 2.497 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -11.229 1.837 1.612 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -13.267 4.922 2.038 1.00 0.50 H new ATOM 0 HD2 TYR A 10 -12.381 1.600 -0.481 1.00 0.47 H new ATOM 0 HE1 TYR A 10 -14.571 5.946 0.232 1.00 0.59 H new ATOM 0 HE2 TYR A 10 -13.693 2.625 -2.290 1.00 0.57 H new ATOM 0 HH TYR A 10 -14.932 4.344 -2.936 1.00 0.71 H new ATOM 150 N LEU A 11 -12.409 -0.428 2.492 1.00 0.27 N ATOM 151 CA LEU A 11 -12.783 -1.733 1.961 1.00 0.28 C ATOM 152 C LEU A 11 -13.684 -2.503 2.917 1.00 0.28 C ATOM 153 O LEU A 11 -14.552 -3.256 2.478 1.00 0.31 O ATOM 154 CB LEU A 11 -11.545 -2.551 1.589 1.00 0.32 C ATOM 155 CG LEU A 11 -11.057 -2.349 0.146 1.00 0.55 C ATOM 156 CD1 LEU A 11 -10.704 -0.891 -0.113 1.00 1.14 C ATOM 157 CD2 LEU A 11 -9.866 -3.247 -0.147 1.00 1.24 C ATOM 0 H LEU A 11 -11.425 -0.342 2.746 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.358 -1.557 1.052 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -10.736 -2.293 2.272 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -11.765 -3.608 1.740 1.00 0.32 H new ATOM 0 HG LEU A 11 -11.870 -2.624 -0.526 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -10.362 -0.777 -1.142 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -11.585 -0.269 0.047 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -9.912 -0.582 0.569 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -9.535 -3.089 -1.174 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -9.052 -3.007 0.537 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -10.155 -4.290 -0.015 1.00 1.24 H new ATOM 169 N GLU A 12 -13.497 -2.307 4.211 1.00 0.29 N ATOM 170 CA GLU A 12 -14.352 -2.949 5.201 1.00 0.34 C ATOM 171 C GLU A 12 -15.807 -2.527 5.014 1.00 0.39 C ATOM 172 O GLU A 12 -16.707 -3.360 4.942 1.00 0.43 O ATOM 173 CB GLU A 12 -13.906 -2.589 6.618 1.00 0.40 C ATOM 174 CG GLU A 12 -12.494 -3.024 6.951 1.00 0.39 C ATOM 175 CD GLU A 12 -12.112 -2.681 8.372 1.00 0.81 C ATOM 176 OE1 GLU A 12 -12.037 -1.484 8.700 1.00 1.22 O ATOM 177 OE2 GLU A 12 -11.895 -3.610 9.176 1.00 1.50 O ATOM 0 H GLU A 12 -12.766 -1.712 4.601 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.268 -4.026 5.059 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -13.982 -1.510 6.748 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -14.593 -3.045 7.331 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -12.402 -4.100 6.801 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -11.796 -2.546 6.263 1.00 0.39 H new ATOM 184 N ARG A 13 -16.017 -1.224 4.912 1.00 0.40 N ATOM 185 CA ARG A 13 -17.360 -0.656 4.914 1.00 0.47 C ATOM 186 C ARG A 13 -18.056 -0.779 3.561 1.00 0.45 C ATOM 187 O ARG A 13 -19.262 -1.009 3.500 1.00 0.55 O ATOM 188 CB ARG A 13 -17.289 0.812 5.332 1.00 0.55 C ATOM 189 CG ARG A 13 -16.617 1.010 6.677 1.00 0.80 C ATOM 190 CD ARG A 13 -16.335 2.478 6.963 1.00 0.71 C ATOM 191 NE ARG A 13 -17.556 3.273 7.106 1.00 0.77 N ATOM 192 CZ ARG A 13 -17.609 4.457 7.716 1.00 0.92 C ATOM 193 NH1 ARG A 13 -16.525 4.950 8.312 1.00 1.19 N ATOM 194 NH2 ARG A 13 -18.756 5.126 7.753 1.00 1.10 N ATOM 0 H ARG A 13 -15.270 -0.534 4.826 1.00 0.40 H new ATOM 0 HA ARG A 13 -17.955 -1.226 5.628 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -16.745 1.375 4.573 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -18.298 1.223 5.371 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -17.253 0.603 7.463 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -15.682 0.450 6.701 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -15.745 2.559 7.876 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -15.730 2.891 6.156 1.00 0.71 H new ATOM 0 HE ARG A 13 -18.420 2.898 6.715 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -15.653 4.421 8.302 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -16.567 5.856 8.778 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -19.590 4.733 7.316 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -18.803 6.032 8.218 1.00 1.10 H new ATOM 208 N PHE A 14 -17.310 -0.626 2.478 1.00 0.40 N ATOM 209 CA PHE A 14 -17.929 -0.548 1.159 1.00 0.42 C ATOM 210 C PHE A 14 -17.719 -1.808 0.325 1.00 0.43 C ATOM 211 O PHE A 14 -18.587 -2.181 -0.464 1.00 0.55 O ATOM 212 CB PHE A 14 -17.388 0.659 0.386 1.00 0.42 C ATOM 213 CG PHE A 14 -17.547 1.963 1.108 1.00 0.46 C ATOM 214 CD1 PHE A 14 -18.770 2.607 1.148 1.00 0.61 C ATOM 215 CD2 PHE A 14 -16.468 2.542 1.749 1.00 0.42 C ATOM 216 CE1 PHE A 14 -18.913 3.805 1.817 1.00 0.67 C ATOM 217 CE2 PHE A 14 -16.602 3.738 2.419 1.00 0.50 C ATOM 218 CZ PHE A 14 -17.826 4.372 2.453 1.00 0.60 C ATOM 0 H PHE A 14 -16.293 -0.554 2.481 1.00 0.40 H new ATOM 0 HA PHE A 14 -19.000 -0.441 1.331 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.331 0.499 0.174 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -17.899 0.722 -0.575 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.622 2.168 0.650 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.507 2.050 1.724 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -19.873 4.299 1.843 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -15.750 4.178 2.917 1.00 0.50 H new ATOM 0 HZ PHE A 14 -17.935 5.311 2.976 1.00 0.60 H new ATOM 228 N SER A 15 -16.582 -2.464 0.490 1.00 0.39 N ATOM 229 CA SER A 15 -16.195 -3.512 -0.452 1.00 0.46 C ATOM 230 C SER A 15 -16.466 -4.923 0.075 1.00 0.49 C ATOM 231 O SER A 15 -17.142 -5.719 -0.582 1.00 0.59 O ATOM 232 CB SER A 15 -14.712 -3.354 -0.786 1.00 0.47 C ATOM 233 OG SER A 15 -14.418 -2.014 -1.146 1.00 1.46 O ATOM 0 H SER A 15 -15.921 -2.298 1.249 1.00 0.39 H new ATOM 0 HA SER A 15 -16.808 -3.394 -1.346 1.00 0.46 H new ATOM 0 HB2 SER A 15 -14.108 -3.646 0.073 1.00 0.47 H new ATOM 0 HB3 SER A 15 -14.446 -4.022 -1.605 1.00 0.47 H new ATOM 0 HG SER A 15 -14.678 -1.861 -2.079 1.00 1.46 H new ATOM 239 N LEU A 16 -15.964 -5.230 1.263 1.00 0.45 N ATOM 240 CA LEU A 16 -16.042 -6.591 1.789 1.00 0.51 C ATOM 241 C LEU A 16 -17.175 -6.760 2.791 1.00 0.57 C ATOM 242 O LEU A 16 -17.610 -7.880 3.056 1.00 0.67 O ATOM 243 CB LEU A 16 -14.712 -6.992 2.433 1.00 0.54 C ATOM 244 CG LEU A 16 -13.643 -7.492 1.458 1.00 0.57 C ATOM 245 CD1 LEU A 16 -12.264 -7.371 2.075 1.00 1.13 C ATOM 246 CD2 LEU A 16 -13.914 -8.940 1.074 1.00 1.33 C ATOM 0 H LEU A 16 -15.501 -4.562 1.879 1.00 0.45 H new ATOM 0 HA LEU A 16 -16.251 -7.247 0.944 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -14.315 -6.133 2.974 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -14.903 -7.772 3.169 1.00 0.54 H new ATOM 0 HG LEU A 16 -13.681 -6.875 0.561 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -11.516 -7.731 1.368 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -12.063 -6.327 2.315 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -12.219 -7.968 2.986 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -13.146 -9.282 0.380 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -13.899 -9.563 1.969 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -14.892 -9.013 0.598 1.00 1.33 H new ATOM 258 N LYS A 17 -17.637 -5.639 3.349 1.00 0.56 N ATOM 259 CA LYS A 17 -18.698 -5.640 4.358 1.00 0.66 C ATOM 260 C LYS A 17 -18.283 -6.445 5.585 1.00 0.72 C ATOM 261 O LYS A 17 -19.123 -6.931 6.343 1.00 0.83 O ATOM 262 CB LYS A 17 -20.009 -6.185 3.781 1.00 0.75 C ATOM 263 CG LYS A 17 -20.696 -5.229 2.820 1.00 0.77 C ATOM 264 CD LYS A 17 -20.948 -3.887 3.485 1.00 1.12 C ATOM 265 CE LYS A 17 -21.745 -2.950 2.595 1.00 1.28 C ATOM 266 NZ LYS A 17 -21.949 -1.631 3.247 1.00 2.11 N ATOM 0 H LYS A 17 -17.288 -4.709 3.116 1.00 0.56 H new ATOM 0 HA LYS A 17 -18.863 -4.607 4.664 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -19.806 -7.123 3.264 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -20.690 -6.414 4.601 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -20.078 -5.090 1.933 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -21.641 -5.658 2.486 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -21.485 -4.042 4.421 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -19.994 -3.423 3.737 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -21.223 -2.813 1.648 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -22.712 -3.398 2.365 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -22.407 -0.980 2.578 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -22.554 -1.748 4.085 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -21.029 -1.241 3.536 1.00 2.11 H new ATOM 280 N ALA A 18 -16.981 -6.564 5.776 1.00 0.68 N ATOM 281 CA ALA A 18 -16.425 -7.324 6.879 1.00 0.75 C ATOM 282 C ALA A 18 -15.162 -6.651 7.385 1.00 0.72 C ATOM 283 O ALA A 18 -14.488 -5.941 6.635 1.00 0.96 O ATOM 284 CB ALA A 18 -16.127 -8.746 6.432 1.00 0.78 C ATOM 0 H ALA A 18 -16.280 -6.136 5.170 1.00 0.68 H new ATOM 0 HA ALA A 18 -17.151 -7.360 7.691 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -15.710 -9.310 7.266 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -17.048 -9.223 6.097 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -15.409 -8.727 5.612 1.00 0.78 H new ATOM 290 N LYS A 19 -14.856 -6.863 8.654 1.00 0.64 N ATOM 291 CA LYS A 19 -13.675 -6.281 9.268 1.00 0.62 C ATOM 292 C LYS A 19 -12.419 -6.958 8.746 1.00 0.55 C ATOM 293 O LYS A 19 -12.295 -8.182 8.784 1.00 0.61 O ATOM 294 CB LYS A 19 -13.764 -6.404 10.791 1.00 0.72 C ATOM 295 CG LYS A 19 -12.568 -5.829 11.533 1.00 0.76 C ATOM 296 CD LYS A 19 -12.803 -5.823 13.038 1.00 1.24 C ATOM 297 CE LYS A 19 -12.997 -7.228 13.588 1.00 2.05 C ATOM 298 NZ LYS A 19 -11.769 -8.056 13.461 1.00 2.59 N ATOM 0 H LYS A 19 -15.415 -7.439 9.284 1.00 0.64 H new ATOM 0 HA LYS A 19 -13.624 -5.224 9.007 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -14.667 -5.898 11.133 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -13.869 -7.457 11.054 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -11.678 -6.416 11.304 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -12.377 -4.813 11.188 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -11.955 -5.352 13.536 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -13.682 -5.220 13.266 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -13.286 -7.169 14.637 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -13.817 -7.714 13.058 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -11.896 -8.947 13.981 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -11.592 -8.263 12.457 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -10.958 -7.537 13.855 1.00 2.59 H new ATOM 312 N ILE A 20 -11.504 -6.145 8.254 1.00 0.48 N ATOM 313 CA ILE A 20 -10.253 -6.634 7.707 1.00 0.45 C ATOM 314 C ILE A 20 -9.342 -7.131 8.828 1.00 0.54 C ATOM 315 O ILE A 20 -9.036 -6.394 9.768 1.00 0.61 O ATOM 316 CB ILE A 20 -9.535 -5.526 6.901 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.270 -5.220 5.588 1.00 0.34 C ATOM 318 CG2 ILE A 20 -8.091 -5.914 6.608 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.322 -6.391 4.641 1.00 0.30 C ATOM 0 H ILE A 20 -11.606 -5.131 8.222 1.00 0.48 H new ATOM 0 HA ILE A 20 -10.478 -7.463 7.036 1.00 0.45 H new ATOM 0 HB ILE A 20 -9.541 -4.626 7.515 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -11.287 -4.902 5.816 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -9.778 -4.383 5.092 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -7.608 -5.118 6.040 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -7.557 -6.065 7.546 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.073 -6.836 6.027 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -10.856 -6.103 3.735 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.308 -6.696 4.383 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -10.840 -7.222 5.119 1.00 0.30 H new ATOM 331 N ASN A 21 -8.929 -8.382 8.725 1.00 0.59 N ATOM 332 CA ASN A 21 -8.037 -8.987 9.699 1.00 0.73 C ATOM 333 C ASN A 21 -6.703 -9.308 9.052 1.00 0.75 C ATOM 334 O ASN A 21 -6.506 -9.052 7.865 1.00 0.71 O ATOM 335 CB ASN A 21 -8.641 -10.266 10.288 1.00 0.83 C ATOM 336 CG ASN A 21 -9.657 -10.003 11.381 1.00 1.27 C ATOM 337 OD1 ASN A 21 -10.339 -8.979 11.391 1.00 1.96 O ATOM 338 ND2 ASN A 21 -9.756 -10.932 12.319 1.00 1.76 N ATOM 0 H ASN A 21 -9.202 -9.006 7.966 1.00 0.59 H new ATOM 0 HA ASN A 21 -7.891 -8.272 10.508 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -9.116 -10.836 9.490 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -7.839 -10.887 10.689 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -10.417 -10.813 13.087 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -9.172 -11.767 12.274 1.00 1.76 H new ATOM 345 N ASN A 22 -5.800 -9.898 9.816 1.00 0.88 N ATOM 346 CA ASN A 22 -4.477 -10.233 9.305 1.00 0.98 C ATOM 347 C ASN A 22 -4.545 -11.415 8.337 1.00 0.93 C ATOM 348 O ASN A 22 -3.654 -11.598 7.505 1.00 1.05 O ATOM 349 CB ASN A 22 -3.516 -10.541 10.464 1.00 1.19 C ATOM 350 CG ASN A 22 -3.969 -11.710 11.319 1.00 1.98 C ATOM 351 OD1 ASN A 22 -4.779 -11.548 12.232 1.00 2.79 O ATOM 352 ND2 ASN A 22 -3.432 -12.888 11.051 1.00 2.54 N ATOM 0 H ASN A 22 -5.956 -10.156 10.791 1.00 0.88 H new ATOM 0 HA ASN A 22 -4.098 -9.370 8.757 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -2.527 -10.756 10.060 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -3.418 -9.656 11.092 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -3.686 -13.703 11.609 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -2.764 -12.982 10.286 1.00 2.54 H new ATOM 359 N THR A 23 -5.605 -12.207 8.437 1.00 0.85 N ATOM 360 CA THR A 23 -5.743 -13.398 7.608 1.00 0.88 C ATOM 361 C THR A 23 -6.810 -13.234 6.526 1.00 0.71 C ATOM 362 O THR A 23 -7.055 -14.158 5.750 1.00 0.74 O ATOM 363 CB THR A 23 -6.085 -14.628 8.468 1.00 1.04 C ATOM 364 OG1 THR A 23 -7.130 -14.301 9.395 1.00 1.30 O ATOM 365 CG2 THR A 23 -4.865 -15.129 9.221 1.00 1.69 C ATOM 0 H THR A 23 -6.379 -12.047 9.081 1.00 0.85 H new ATOM 0 HA THR A 23 -4.780 -13.544 7.119 1.00 0.88 H new ATOM 0 HB THR A 23 -6.424 -15.423 7.803 1.00 1.04 H new ATOM 0 HG1 THR A 23 -7.344 -15.088 9.938 1.00 1.30 H new ATOM 0 HG21 THR A 23 -5.138 -15.998 9.819 1.00 1.69 H new ATOM 0 HG22 THR A 23 -4.088 -15.408 8.510 1.00 1.69 H new ATOM 0 HG23 THR A 23 -4.492 -14.341 9.875 1.00 1.69 H new ATOM 373 N THR A 24 -7.442 -12.068 6.466 1.00 0.57 N ATOM 374 CA THR A 24 -8.495 -11.842 5.485 1.00 0.45 C ATOM 375 C THR A 24 -7.911 -11.405 4.152 1.00 0.42 C ATOM 376 O THR A 24 -7.222 -10.384 4.064 1.00 0.50 O ATOM 377 CB THR A 24 -9.503 -10.777 5.958 1.00 0.44 C ATOM 378 OG1 THR A 24 -8.816 -9.578 6.324 1.00 1.08 O ATOM 379 CG2 THR A 24 -10.318 -11.275 7.140 1.00 0.92 C ATOM 0 H THR A 24 -7.247 -11.274 7.076 1.00 0.57 H new ATOM 0 HA THR A 24 -9.017 -12.791 5.366 1.00 0.45 H new ATOM 0 HB THR A 24 -10.184 -10.572 5.132 1.00 0.44 H new ATOM 0 HG1 THR A 24 -8.092 -9.408 5.685 1.00 1.08 H new ATOM 0 HG21 THR A 24 -11.020 -10.501 7.450 1.00 0.92 H new ATOM 0 HG22 THR A 24 -10.869 -12.170 6.851 1.00 0.92 H new ATOM 0 HG23 THR A 24 -9.650 -11.512 7.968 1.00 0.92 H new ATOM 387 N ASN A 25 -8.174 -12.183 3.121 1.00 0.43 N ATOM 388 CA ASN A 25 -7.789 -11.808 1.779 1.00 0.52 C ATOM 389 C ASN A 25 -8.772 -10.796 1.220 1.00 0.50 C ATOM 390 O ASN A 25 -9.914 -11.126 0.909 1.00 0.52 O ATOM 391 CB ASN A 25 -7.708 -13.028 0.860 1.00 0.64 C ATOM 392 CG ASN A 25 -6.420 -13.805 1.046 1.00 0.91 C ATOM 393 OD1 ASN A 25 -5.412 -13.516 0.398 1.00 1.72 O ATOM 394 ND2 ASN A 25 -6.439 -14.789 1.931 1.00 1.40 N ATOM 0 H ASN A 25 -8.654 -13.080 3.189 1.00 0.43 H new ATOM 0 HA ASN A 25 -6.797 -11.359 1.826 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -8.557 -13.684 1.055 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -7.787 -12.704 -0.178 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -5.598 -15.341 2.098 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -7.295 -14.995 2.446 1.00 1.40 H new ATOM 401 N LEU A 26 -8.310 -9.558 1.093 1.00 0.56 N ATOM 402 CA LEU A 26 -9.087 -8.484 0.473 1.00 0.60 C ATOM 403 C LEU A 26 -9.387 -8.810 -0.986 1.00 0.60 C ATOM 404 O LEU A 26 -10.065 -8.054 -1.674 1.00 0.63 O ATOM 405 CB LEU A 26 -8.320 -7.156 0.545 1.00 0.68 C ATOM 406 CG LEU A 26 -8.017 -6.640 1.960 1.00 0.78 C ATOM 407 CD1 LEU A 26 -6.812 -7.344 2.567 1.00 1.36 C ATOM 408 CD2 LEU A 26 -7.803 -5.141 1.935 1.00 1.61 C ATOM 0 H LEU A 26 -7.387 -9.267 1.416 1.00 0.56 H new ATOM 0 HA LEU A 26 -10.025 -8.391 1.020 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -7.377 -7.272 0.010 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -8.895 -6.396 0.016 1.00 0.68 H new ATOM 0 HG LEU A 26 -8.878 -6.864 2.590 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -6.628 -6.953 3.568 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -7.008 -8.415 2.626 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -5.936 -7.169 1.943 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -7.589 -4.787 2.944 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -6.963 -4.904 1.282 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -8.702 -4.651 1.562 1.00 1.61 H new ATOM 420 N ASP A 27 -8.884 -9.955 -1.436 1.00 0.60 N ATOM 421 CA ASP A 27 -8.916 -10.345 -2.838 1.00 0.61 C ATOM 422 C ASP A 27 -10.342 -10.513 -3.337 1.00 0.64 C ATOM 423 O ASP A 27 -10.615 -10.349 -4.520 1.00 0.71 O ATOM 424 CB ASP A 27 -8.132 -11.645 -3.021 1.00 0.63 C ATOM 425 CG ASP A 27 -7.647 -11.828 -4.440 1.00 0.60 C ATOM 426 OD1 ASP A 27 -6.852 -10.993 -4.914 1.00 0.80 O ATOM 427 OD2 ASP A 27 -8.076 -12.802 -5.082 1.00 0.73 O ATOM 0 H ASP A 27 -8.439 -10.644 -0.830 1.00 0.60 H new ATOM 0 HA ASP A 27 -8.455 -9.553 -3.427 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -7.278 -11.650 -2.344 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -8.763 -12.489 -2.744 1.00 0.63 H new ATOM 432 N TYR A 28 -11.254 -10.810 -2.419 1.00 0.70 N ATOM 433 CA TYR A 28 -12.659 -10.977 -2.770 1.00 0.84 C ATOM 434 C TYR A 28 -13.263 -9.668 -3.264 1.00 0.89 C ATOM 435 O TYR A 28 -14.325 -9.658 -3.880 1.00 1.21 O ATOM 436 CB TYR A 28 -13.453 -11.512 -1.579 1.00 0.96 C ATOM 437 CG TYR A 28 -13.051 -12.912 -1.178 1.00 0.93 C ATOM 438 CD1 TYR A 28 -13.384 -14.005 -1.967 1.00 1.22 C ATOM 439 CD2 TYR A 28 -12.336 -13.138 -0.010 1.00 1.09 C ATOM 440 CE1 TYR A 28 -13.016 -15.284 -1.602 1.00 1.31 C ATOM 441 CE2 TYR A 28 -11.965 -14.414 0.361 1.00 1.13 C ATOM 442 CZ TYR A 28 -12.317 -15.487 -0.444 1.00 1.08 C ATOM 443 OH TYR A 28 -11.934 -16.754 -0.075 1.00 1.22 O ATOM 0 H TYR A 28 -11.047 -10.940 -1.429 1.00 0.70 H new ATOM 0 HA TYR A 28 -12.715 -11.703 -3.581 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -13.316 -10.844 -0.729 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -14.515 -11.502 -1.824 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -13.940 -13.852 -2.880 1.00 1.22 H new ATOM 0 HD2 TYR A 28 -12.066 -12.302 0.618 1.00 1.09 H new ATOM 0 HE1 TYR A 28 -13.279 -16.123 -2.229 1.00 1.31 H new ATOM 0 HE2 TYR A 28 -11.405 -14.576 1.270 1.00 1.13 H new ATOM 0 HH TYR A 28 -11.446 -16.714 0.774 1.00 1.22 H new ATOM 453 N SER A 29 -12.621 -8.557 -2.943 1.00 0.70 N ATOM 454 CA SER A 29 -13.006 -7.283 -3.518 1.00 0.71 C ATOM 455 C SER A 29 -11.899 -6.702 -4.402 1.00 0.59 C ATOM 456 O SER A 29 -12.142 -6.334 -5.545 1.00 0.61 O ATOM 457 CB SER A 29 -13.346 -6.307 -2.404 1.00 0.81 C ATOM 458 OG SER A 29 -14.351 -6.836 -1.555 1.00 1.03 O ATOM 0 H SER A 29 -11.837 -8.513 -2.292 1.00 0.70 H new ATOM 0 HA SER A 29 -13.880 -7.446 -4.149 1.00 0.71 H new ATOM 0 HB2 SER A 29 -12.451 -6.088 -1.822 1.00 0.81 H new ATOM 0 HB3 SER A 29 -13.686 -5.364 -2.833 1.00 0.81 H new ATOM 0 HG SER A 29 -15.221 -6.460 -1.804 1.00 1.03 H new ATOM 464 N ARG A 30 -10.668 -6.697 -3.885 1.00 0.54 N ATOM 465 CA ARG A 30 -9.559 -5.962 -4.504 1.00 0.52 C ATOM 466 C ARG A 30 -9.239 -6.489 -5.900 1.00 0.42 C ATOM 467 O ARG A 30 -8.862 -5.724 -6.785 1.00 0.40 O ATOM 468 CB ARG A 30 -8.314 -6.023 -3.611 1.00 0.58 C ATOM 469 CG ARG A 30 -7.642 -7.378 -3.602 1.00 0.86 C ATOM 470 CD ARG A 30 -6.566 -7.479 -2.533 1.00 1.15 C ATOM 471 NE ARG A 30 -6.152 -8.870 -2.319 1.00 1.84 N ATOM 472 CZ ARG A 30 -5.640 -9.343 -1.176 1.00 2.40 C ATOM 473 NH1 ARG A 30 -5.425 -8.531 -0.147 1.00 2.56 N ATOM 474 NH2 ARG A 30 -5.331 -10.633 -1.067 1.00 3.30 N ATOM 0 H ARG A 30 -10.412 -7.197 -3.034 1.00 0.54 H new ATOM 0 HA ARG A 30 -9.871 -4.923 -4.609 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -7.598 -5.274 -3.948 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -8.595 -5.759 -2.591 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -8.391 -8.152 -3.435 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -7.199 -7.568 -4.580 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -5.703 -6.882 -2.826 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -6.940 -7.061 -1.598 1.00 1.15 H new ATOM 0 HE ARG A 30 -6.262 -9.522 -3.095 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -5.650 -7.539 -0.224 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -5.035 -8.899 0.720 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -5.484 -11.262 -1.855 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -4.941 -10.992 -0.196 1.00 3.30 H new ATOM 488 N ARG A 31 -9.435 -7.782 -6.099 1.00 0.42 N ATOM 489 CA ARG A 31 -9.116 -8.421 -7.367 1.00 0.45 C ATOM 490 C ARG A 31 -10.072 -7.940 -8.456 1.00 0.46 C ATOM 491 O ARG A 31 -9.804 -8.074 -9.650 1.00 0.57 O ATOM 492 CB ARG A 31 -9.222 -9.934 -7.201 1.00 0.57 C ATOM 493 CG ARG A 31 -8.692 -10.743 -8.367 1.00 0.83 C ATOM 494 CD ARG A 31 -8.829 -12.226 -8.076 1.00 1.22 C ATOM 495 NE ARG A 31 -8.003 -13.047 -8.953 1.00 1.73 N ATOM 496 CZ ARG A 31 -7.027 -13.839 -8.510 1.00 2.33 C ATOM 497 NH1 ARG A 31 -6.739 -13.880 -7.213 1.00 2.65 N ATOM 498 NH2 ARG A 31 -6.332 -14.578 -9.362 1.00 3.18 N ATOM 0 H ARG A 31 -9.816 -8.414 -5.395 1.00 0.42 H new ATOM 0 HA ARG A 31 -8.101 -8.157 -7.663 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -8.681 -10.225 -6.300 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -10.268 -10.195 -7.043 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -9.240 -10.490 -9.275 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -7.646 -10.495 -8.547 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -8.552 -12.416 -7.039 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -9.873 -12.519 -8.186 1.00 1.22 H new ATOM 0 HE ARG A 31 -8.181 -13.014 -9.957 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -7.265 -13.305 -6.555 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -5.992 -14.487 -6.875 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -6.543 -14.541 -10.359 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -5.585 -15.183 -9.021 1.00 3.18 H new ATOM 512 N PHE A 32 -11.193 -7.378 -8.028 1.00 0.45 N ATOM 513 CA PHE A 32 -12.198 -6.865 -8.943 1.00 0.49 C ATOM 514 C PHE A 32 -12.189 -5.344 -8.922 1.00 0.43 C ATOM 515 O PHE A 32 -12.717 -4.696 -9.825 1.00 0.49 O ATOM 516 CB PHE A 32 -13.585 -7.367 -8.539 1.00 0.59 C ATOM 517 CG PHE A 32 -13.616 -8.828 -8.207 1.00 0.98 C ATOM 518 CD1 PHE A 32 -13.680 -9.759 -9.220 1.00 1.54 C ATOM 519 CD2 PHE A 32 -13.585 -9.271 -6.896 1.00 1.11 C ATOM 520 CE1 PHE A 32 -13.712 -11.106 -8.943 1.00 2.18 C ATOM 521 CE2 PHE A 32 -13.617 -10.622 -6.607 1.00 1.68 C ATOM 522 CZ PHE A 32 -13.668 -11.523 -7.551 1.00 2.21 C ATOM 0 H PHE A 32 -11.429 -7.266 -7.042 1.00 0.45 H new ATOM 0 HA PHE A 32 -11.966 -7.218 -9.948 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -13.932 -6.799 -7.676 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -14.285 -7.172 -9.352 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -13.705 -9.426 -10.247 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -13.535 -8.553 -6.090 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -13.768 -11.834 -9.738 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -13.599 -10.941 -5.575 1.00 1.68 H new ATOM 0 HZ PHE A 32 -13.677 -12.573 -7.299 1.00 2.21 H new ATOM 532 N LEU A 33 -11.576 -4.785 -7.882 1.00 0.41 N ATOM 533 CA LEU A 33 -11.574 -3.345 -7.675 1.00 0.39 C ATOM 534 C LEU A 33 -10.409 -2.678 -8.393 1.00 0.30 C ATOM 535 O LEU A 33 -10.316 -1.459 -8.401 1.00 0.31 O ATOM 536 CB LEU A 33 -11.517 -3.002 -6.181 1.00 0.47 C ATOM 537 CG LEU A 33 -12.685 -3.512 -5.335 1.00 0.63 C ATOM 538 CD1 LEU A 33 -12.632 -2.898 -3.948 1.00 0.74 C ATOM 539 CD2 LEU A 33 -14.019 -3.220 -6.004 1.00 0.72 C ATOM 0 H LEU A 33 -11.073 -5.312 -7.168 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.505 -2.964 -8.094 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -10.592 -3.406 -5.770 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -11.465 -1.918 -6.078 1.00 0.47 H new ATOM 0 HG LEU A 33 -12.593 -4.594 -5.243 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -13.468 -3.268 -3.354 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -11.694 -3.172 -3.464 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -12.696 -1.813 -4.028 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -14.829 -3.594 -5.379 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -14.131 -2.144 -6.138 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -14.054 -3.712 -6.976 1.00 0.72 H new ATOM 551 N GLU A 34 -9.525 -3.480 -8.989 1.00 0.27 N ATOM 552 CA GLU A 34 -8.396 -2.953 -9.766 1.00 0.25 C ATOM 553 C GLU A 34 -8.786 -1.780 -10.680 1.00 0.25 C ATOM 554 O GLU A 34 -8.145 -0.731 -10.629 1.00 0.26 O ATOM 555 CB GLU A 34 -7.737 -4.053 -10.597 1.00 0.28 C ATOM 556 CG GLU A 34 -6.654 -4.795 -9.849 1.00 0.35 C ATOM 557 CD GLU A 34 -5.825 -5.679 -10.754 1.00 0.48 C ATOM 558 OE1 GLU A 34 -4.902 -5.169 -11.414 1.00 0.71 O ATOM 559 OE2 GLU A 34 -6.087 -6.901 -10.796 1.00 0.65 O ATOM 0 H GLU A 34 -9.567 -4.498 -8.950 1.00 0.27 H new ATOM 0 HA GLU A 34 -7.684 -2.573 -9.033 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -8.499 -4.763 -10.919 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -7.311 -3.613 -11.498 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -6.002 -4.076 -9.353 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -7.109 -5.405 -9.068 1.00 0.35 H new ATOM 566 N PRO A 35 -9.832 -1.917 -11.528 1.00 0.28 N ATOM 567 CA PRO A 35 -10.243 -0.832 -12.424 1.00 0.33 C ATOM 568 C PRO A 35 -10.737 0.409 -11.675 1.00 0.32 C ATOM 569 O PRO A 35 -10.755 1.508 -12.228 1.00 0.36 O ATOM 570 CB PRO A 35 -11.374 -1.445 -13.255 1.00 0.41 C ATOM 571 CG PRO A 35 -11.864 -2.597 -12.450 1.00 0.54 C ATOM 572 CD PRO A 35 -10.664 -3.120 -11.716 1.00 0.30 C ATOM 0 HA PRO A 35 -9.404 -0.477 -13.023 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -12.169 -0.721 -13.433 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -11.015 -1.770 -14.231 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -12.643 -2.285 -11.754 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -12.297 -3.366 -13.090 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -10.940 -3.571 -10.763 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.142 -3.885 -12.291 1.00 0.30 H new ATOM 580 N PHE A 36 -11.133 0.223 -10.419 1.00 0.32 N ATOM 581 CA PHE A 36 -11.547 1.332 -9.565 1.00 0.36 C ATOM 582 C PHE A 36 -10.325 1.980 -8.923 1.00 0.34 C ATOM 583 O PHE A 36 -10.258 3.198 -8.770 1.00 0.37 O ATOM 584 CB PHE A 36 -12.525 0.839 -8.487 1.00 0.44 C ATOM 585 CG PHE A 36 -12.807 1.844 -7.404 1.00 0.51 C ATOM 586 CD1 PHE A 36 -13.584 2.960 -7.658 1.00 0.58 C ATOM 587 CD2 PHE A 36 -12.290 1.668 -6.129 1.00 0.57 C ATOM 588 CE1 PHE A 36 -13.843 3.882 -6.663 1.00 0.67 C ATOM 589 CE2 PHE A 36 -12.545 2.587 -5.129 1.00 0.67 C ATOM 590 CZ PHE A 36 -13.324 3.696 -5.397 1.00 0.72 C ATOM 0 H PHE A 36 -11.176 -0.691 -9.968 1.00 0.32 H new ATOM 0 HA PHE A 36 -12.057 2.077 -10.176 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.465 0.563 -8.964 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -12.121 -0.065 -8.032 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -13.993 3.112 -8.646 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -11.681 0.802 -5.915 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -14.452 4.749 -6.875 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -12.136 2.439 -4.140 1.00 0.67 H new ATOM 0 HZ PHE A 36 -13.527 4.416 -4.618 1.00 0.72 H new ATOM 600 N LEU A 37 -9.360 1.142 -8.555 1.00 0.32 N ATOM 601 CA LEU A 37 -8.092 1.601 -7.994 1.00 0.34 C ATOM 602 C LEU A 37 -7.301 2.372 -9.043 1.00 0.30 C ATOM 603 O LEU A 37 -6.436 3.186 -8.717 1.00 0.31 O ATOM 604 CB LEU A 37 -7.264 0.408 -7.486 1.00 0.39 C ATOM 605 CG LEU A 37 -7.536 -0.042 -6.041 1.00 0.47 C ATOM 606 CD1 LEU A 37 -7.119 1.036 -5.064 1.00 1.04 C ATOM 607 CD2 LEU A 37 -8.999 -0.392 -5.831 1.00 0.90 C ATOM 0 H LEU A 37 -9.434 0.128 -8.637 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.306 2.261 -7.154 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.443 -0.439 -8.148 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.208 0.663 -7.572 1.00 0.39 H new ATOM 0 HG LEU A 37 -6.944 -0.939 -5.860 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -7.318 0.701 -4.046 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -6.054 1.238 -5.178 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -7.684 1.946 -5.264 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -9.154 -0.706 -4.799 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -9.616 0.482 -6.041 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -9.279 -1.204 -6.502 1.00 0.90 H new ATOM 619 N ARG A 38 -7.608 2.105 -10.304 1.00 0.30 N ATOM 620 CA ARG A 38 -6.955 2.780 -11.409 1.00 0.34 C ATOM 621 C ARG A 38 -7.477 4.202 -11.551 1.00 0.34 C ATOM 622 O ARG A 38 -8.486 4.442 -12.215 1.00 0.43 O ATOM 623 CB ARG A 38 -7.183 2.022 -12.713 1.00 0.45 C ATOM 624 CG ARG A 38 -6.403 2.602 -13.878 1.00 0.56 C ATOM 625 CD ARG A 38 -6.707 1.882 -15.173 1.00 0.90 C ATOM 626 NE ARG A 38 -5.896 2.395 -16.273 1.00 1.91 N ATOM 627 CZ ARG A 38 -6.204 2.267 -17.558 1.00 2.44 C ATOM 628 NH1 ARG A 38 -7.308 1.629 -17.927 1.00 2.16 N ATOM 629 NH2 ARG A 38 -5.393 2.775 -18.475 1.00 3.59 N ATOM 0 H ARG A 38 -8.310 1.421 -10.585 1.00 0.30 H new ATOM 0 HA ARG A 38 -5.886 2.811 -11.198 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -6.898 0.979 -12.575 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -8.246 2.033 -12.953 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -6.643 3.660 -13.985 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -5.335 2.537 -13.668 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -6.522 0.815 -15.050 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -7.764 1.996 -15.415 1.00 0.90 H new ATOM 0 HE ARG A 38 -5.033 2.886 -16.038 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -7.928 1.232 -17.221 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -7.536 1.536 -18.917 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -4.541 3.259 -18.191 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -5.621 2.682 -19.465 1.00 3.59 H new ATOM 643 N GLY A 39 -6.790 5.140 -10.928 1.00 0.29 N ATOM 644 CA GLY A 39 -7.175 6.527 -11.040 1.00 0.29 C ATOM 645 C GLY A 39 -7.684 7.101 -9.737 1.00 0.28 C ATOM 646 O GLY A 39 -8.558 7.969 -9.736 1.00 0.38 O ATOM 0 H GLY A 39 -5.971 4.966 -10.345 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -6.319 7.111 -11.379 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.949 6.624 -11.801 1.00 0.29 H new ATOM 650 N ILE A 40 -7.154 6.620 -8.622 1.00 0.26 N ATOM 651 CA ILE A 40 -7.479 7.215 -7.328 1.00 0.25 C ATOM 652 C ILE A 40 -6.285 8.010 -6.829 1.00 0.26 C ATOM 653 O ILE A 40 -5.208 7.947 -7.417 1.00 0.32 O ATOM 654 CB ILE A 40 -7.870 6.175 -6.244 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.721 5.199 -5.976 1.00 0.21 C ATOM 656 CG2 ILE A 40 -9.132 5.422 -6.643 1.00 0.24 C ATOM 657 CD1 ILE A 40 -6.893 4.379 -4.710 1.00 0.23 C ATOM 0 H ILE A 40 -6.507 5.832 -8.583 1.00 0.26 H new ATOM 0 HA ILE A 40 -8.349 7.852 -7.490 1.00 0.25 H new ATOM 0 HB ILE A 40 -8.074 6.718 -5.321 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.626 4.522 -6.825 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -5.789 5.760 -5.910 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.385 4.699 -5.867 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -9.954 6.128 -6.764 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -8.962 4.899 -7.584 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -6.039 3.712 -4.590 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -6.956 5.046 -3.850 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -7.807 3.789 -4.780 1.00 0.23 H new ATOM 669 N ASN A 41 -6.465 8.761 -5.762 1.00 0.31 N ATOM 670 CA ASN A 41 -5.350 9.438 -5.141 1.00 0.33 C ATOM 671 C ASN A 41 -5.324 9.092 -3.663 1.00 0.32 C ATOM 672 O ASN A 41 -6.365 9.072 -3.001 1.00 0.40 O ATOM 673 CB ASN A 41 -5.411 10.957 -5.368 1.00 0.43 C ATOM 674 CG ASN A 41 -6.433 11.671 -4.497 1.00 1.11 C ATOM 675 OD1 ASN A 41 -6.137 12.066 -3.368 1.00 1.99 O ATOM 676 ND2 ASN A 41 -7.634 11.868 -5.024 1.00 1.65 N ATOM 0 H ASN A 41 -7.367 8.916 -5.311 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.423 9.098 -5.603 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -4.426 11.383 -5.178 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -5.644 11.149 -6.415 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -8.350 12.362 -4.491 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -7.842 11.526 -5.962 1.00 1.65 H new ATOM 683 N VAL A 42 -4.148 8.768 -3.160 1.00 0.29 N ATOM 684 CA VAL A 42 -4.014 8.341 -1.781 1.00 0.31 C ATOM 685 C VAL A 42 -3.071 9.253 -1.031 1.00 0.23 C ATOM 686 O VAL A 42 -2.018 9.628 -1.544 1.00 0.23 O ATOM 687 CB VAL A 42 -3.497 6.885 -1.663 1.00 0.39 C ATOM 688 CG1 VAL A 42 -4.506 5.903 -2.220 1.00 0.66 C ATOM 689 CG2 VAL A 42 -2.153 6.713 -2.358 1.00 0.93 C ATOM 0 H VAL A 42 -3.274 8.792 -3.685 1.00 0.29 H new ATOM 0 HA VAL A 42 -5.012 8.389 -1.344 1.00 0.31 H new ATOM 0 HB VAL A 42 -3.359 6.675 -0.602 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -4.118 4.889 -2.125 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -5.440 5.987 -1.665 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -4.687 6.125 -3.272 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -1.820 5.680 -2.256 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -2.256 6.958 -3.415 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -1.420 7.378 -1.901 1.00 0.93 H new ATOM 699 N VAL A 43 -3.456 9.632 0.168 1.00 0.21 N ATOM 700 CA VAL A 43 -2.544 10.308 1.053 1.00 0.19 C ATOM 701 C VAL A 43 -1.743 9.254 1.789 1.00 0.21 C ATOM 702 O VAL A 43 -2.251 8.584 2.691 1.00 0.24 O ATOM 703 CB VAL A 43 -3.283 11.215 2.054 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.302 11.896 2.995 1.00 0.22 C ATOM 705 CG2 VAL A 43 -4.116 12.242 1.309 1.00 0.25 C ATOM 0 H VAL A 43 -4.391 9.483 0.548 1.00 0.21 H new ATOM 0 HA VAL A 43 -1.889 10.954 0.469 1.00 0.19 H new ATOM 0 HB VAL A 43 -3.948 10.597 2.657 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -2.848 12.531 3.692 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.747 11.140 3.551 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.607 12.505 2.417 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.635 12.879 2.026 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.466 12.854 0.684 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -4.847 11.732 0.681 1.00 0.25 H new ATOM 715 N TYR A 44 -0.506 9.080 1.375 1.00 0.22 N ATOM 716 CA TYR A 44 0.316 8.026 1.914 1.00 0.26 C ATOM 717 C TYR A 44 1.084 8.521 3.120 1.00 0.31 C ATOM 718 O TYR A 44 1.916 9.420 3.006 1.00 0.37 O ATOM 719 CB TYR A 44 1.277 7.500 0.853 1.00 0.31 C ATOM 720 CG TYR A 44 1.931 6.205 1.255 1.00 0.52 C ATOM 721 CD1 TYR A 44 1.221 5.015 1.273 1.00 0.36 C ATOM 722 CD2 TYR A 44 3.271 6.178 1.605 1.00 1.24 C ATOM 723 CE1 TYR A 44 1.831 3.830 1.632 1.00 0.71 C ATOM 724 CE2 TYR A 44 3.891 5.003 1.960 1.00 1.69 C ATOM 725 CZ TYR A 44 3.104 3.809 2.015 1.00 1.41 C ATOM 726 OH TYR A 44 3.781 2.650 2.321 1.00 1.85 O ATOM 0 H TYR A 44 -0.051 9.656 0.667 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.334 7.209 2.226 1.00 0.26 H new ATOM 0 HB2 TYR A 44 0.736 7.355 -0.082 1.00 0.31 H new ATOM 0 HB3 TYR A 44 2.047 8.248 0.663 1.00 0.31 H new ATOM 0 HD1 TYR A 44 0.175 5.015 1.002 1.00 0.36 H new ATOM 0 HD2 TYR A 44 3.839 7.096 1.599 1.00 1.24 H new ATOM 0 HE1 TYR A 44 1.268 2.909 1.601 1.00 0.71 H new ATOM 0 HE2 TYR A 44 4.946 4.982 2.192 1.00 1.69 H new ATOM 0 HH TYR A 44 4.578 2.577 1.755 1.00 1.85 H new ATOM 736 N THR A 45 0.790 7.945 4.271 1.00 0.32 N ATOM 737 CA THR A 45 1.487 8.293 5.489 1.00 0.39 C ATOM 738 C THR A 45 2.683 7.369 5.691 1.00 0.41 C ATOM 739 O THR A 45 2.519 6.195 6.022 1.00 0.44 O ATOM 740 CB THR A 45 0.552 8.211 6.713 1.00 0.47 C ATOM 741 OG1 THR A 45 -0.076 6.922 6.770 1.00 1.27 O ATOM 742 CG2 THR A 45 -0.516 9.296 6.655 1.00 0.96 C ATOM 0 H THR A 45 0.070 7.232 4.385 1.00 0.32 H new ATOM 0 HA THR A 45 1.834 9.322 5.393 1.00 0.39 H new ATOM 0 HB THR A 45 1.154 8.361 7.609 1.00 0.47 H new ATOM 0 HG1 THR A 45 0.585 6.227 6.568 1.00 1.27 H new ATOM 0 HG21 THR A 45 -1.163 9.217 7.529 1.00 0.96 H new ATOM 0 HG22 THR A 45 -0.039 10.276 6.644 1.00 0.96 H new ATOM 0 HG23 THR A 45 -1.112 9.172 5.751 1.00 0.96 H new ATOM 750 N PRO A 46 3.898 7.879 5.461 1.00 0.45 N ATOM 751 CA PRO A 46 5.116 7.103 5.631 1.00 0.51 C ATOM 752 C PRO A 46 5.389 6.842 7.100 1.00 0.52 C ATOM 753 O PRO A 46 5.316 7.763 7.920 1.00 0.57 O ATOM 754 CB PRO A 46 6.217 7.988 5.029 1.00 0.56 C ATOM 755 CG PRO A 46 5.510 9.119 4.356 1.00 0.58 C ATOM 756 CD PRO A 46 4.181 9.250 5.037 1.00 0.51 C ATOM 0 HA PRO A 46 5.054 6.126 5.152 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.891 8.354 5.803 1.00 0.56 H new ATOM 0 HB3 PRO A 46 6.823 7.428 4.317 1.00 0.56 H new ATOM 0 HG2 PRO A 46 6.083 10.042 4.442 1.00 0.58 H new ATOM 0 HG3 PRO A 46 5.384 8.920 3.292 1.00 0.58 H new ATOM 0 HD2 PRO A 46 4.226 9.934 5.884 1.00 0.51 H new ATOM 0 HD3 PRO A 46 3.416 9.630 4.361 1.00 0.51 H new ATOM 764 N PRO A 47 5.676 5.577 7.449 1.00 0.60 N ATOM 765 CA PRO A 47 5.994 5.181 8.822 1.00 0.68 C ATOM 766 C PRO A 47 7.027 6.102 9.455 1.00 0.62 C ATOM 767 O PRO A 47 7.993 6.515 8.807 1.00 0.56 O ATOM 768 CB PRO A 47 6.559 3.770 8.657 1.00 0.82 C ATOM 769 CG PRO A 47 5.893 3.242 7.434 1.00 0.86 C ATOM 770 CD PRO A 47 5.696 4.425 6.524 1.00 0.73 C ATOM 0 HA PRO A 47 5.126 5.230 9.480 1.00 0.68 H new ATOM 0 HB2 PRO A 47 7.643 3.787 8.543 1.00 0.82 H new ATOM 0 HB3 PRO A 47 6.340 3.151 9.527 1.00 0.82 H new ATOM 0 HG2 PRO A 47 6.506 2.479 6.955 1.00 0.86 H new ATOM 0 HG3 PRO A 47 4.939 2.776 7.680 1.00 0.86 H new ATOM 0 HD2 PRO A 47 6.503 4.509 5.796 1.00 0.73 H new ATOM 0 HD3 PRO A 47 4.766 4.347 5.961 1.00 0.73 H new ATOM 778 N GLN A 48 6.801 6.409 10.728 1.00 0.73 N ATOM 779 CA GLN A 48 7.636 7.337 11.493 1.00 0.79 C ATOM 780 C GLN A 48 9.122 6.992 11.405 1.00 0.67 C ATOM 781 O GLN A 48 9.972 7.865 11.556 1.00 0.73 O ATOM 782 CB GLN A 48 7.189 7.343 12.955 1.00 1.03 C ATOM 783 CG GLN A 48 7.154 5.958 13.583 1.00 0.91 C ATOM 784 CD GLN A 48 6.710 5.976 15.032 1.00 1.24 C ATOM 785 OE1 GLN A 48 6.092 5.025 15.511 1.00 1.91 O ATOM 786 NE2 GLN A 48 7.040 7.038 15.746 1.00 1.84 N ATOM 0 H GLN A 48 6.027 6.019 11.265 1.00 0.73 H new ATOM 0 HA GLN A 48 7.509 8.328 11.057 1.00 0.79 H new ATOM 0 HB2 GLN A 48 7.863 7.978 13.530 1.00 1.03 H new ATOM 0 HB3 GLN A 48 6.197 7.789 13.022 1.00 1.03 H new ATOM 0 HG2 GLN A 48 6.479 5.322 13.010 1.00 0.91 H new ATOM 0 HG3 GLN A 48 8.146 5.510 13.518 1.00 0.91 H new ATOM 0 HE21 GLN A 48 7.553 7.805 15.312 1.00 1.84 H new ATOM 0 HE22 GLN A 48 6.782 7.090 16.731 1.00 1.84 H new ATOM 795 N SER A 49 9.421 5.724 11.145 1.00 0.60 N ATOM 796 CA SER A 49 10.794 5.260 11.003 1.00 0.59 C ATOM 797 C SER A 49 11.475 5.910 9.795 1.00 0.62 C ATOM 798 O SER A 49 12.689 6.108 9.793 1.00 0.71 O ATOM 799 CB SER A 49 10.808 3.734 10.864 1.00 0.71 C ATOM 800 OG SER A 49 12.122 3.240 10.659 1.00 1.55 O ATOM 0 H SER A 49 8.720 4.992 11.027 1.00 0.60 H new ATOM 0 HA SER A 49 11.351 5.548 11.894 1.00 0.59 H new ATOM 0 HB2 SER A 49 10.385 3.283 11.761 1.00 0.71 H new ATOM 0 HB3 SER A 49 10.173 3.438 10.029 1.00 0.71 H new ATOM 0 HG SER A 49 12.165 2.301 10.936 1.00 1.55 H new ATOM 806 N PHE A 50 10.691 6.254 8.778 1.00 0.62 N ATOM 807 CA PHE A 50 11.235 6.859 7.568 1.00 0.66 C ATOM 808 C PHE A 50 11.352 8.369 7.721 1.00 0.67 C ATOM 809 O PHE A 50 12.026 9.034 6.933 1.00 0.79 O ATOM 810 CB PHE A 50 10.364 6.534 6.351 1.00 0.69 C ATOM 811 CG PHE A 50 10.378 5.084 5.963 1.00 0.71 C ATOM 812 CD1 PHE A 50 11.481 4.535 5.332 1.00 0.91 C ATOM 813 CD2 PHE A 50 9.292 4.269 6.237 1.00 0.80 C ATOM 814 CE1 PHE A 50 11.501 3.200 4.981 1.00 1.01 C ATOM 815 CE2 PHE A 50 9.306 2.934 5.889 1.00 0.89 C ATOM 816 CZ PHE A 50 10.400 2.405 5.230 1.00 0.93 C ATOM 0 H PHE A 50 9.679 6.124 8.768 1.00 0.62 H new ATOM 0 HA PHE A 50 12.229 6.440 7.412 1.00 0.66 H new ATOM 0 HB2 PHE A 50 9.337 6.834 6.561 1.00 0.69 H new ATOM 0 HB3 PHE A 50 10.704 7.130 5.504 1.00 0.69 H new ATOM 0 HD1 PHE A 50 12.335 5.158 5.112 1.00 0.91 H new ATOM 0 HD2 PHE A 50 8.424 4.683 6.729 1.00 0.80 H new ATOM 0 HE1 PHE A 50 12.377 2.778 4.512 1.00 1.01 H new ATOM 0 HE2 PHE A 50 8.463 2.303 6.131 1.00 0.89 H new ATOM 0 HZ PHE A 50 10.393 1.373 4.911 1.00 0.93 H new ATOM 826 N GLN A 51 10.674 8.892 8.748 1.00 0.62 N ATOM 827 CA GLN A 51 10.672 10.325 9.056 1.00 0.70 C ATOM 828 C GLN A 51 10.237 11.148 7.850 1.00 0.62 C ATOM 829 O GLN A 51 10.665 12.288 7.673 1.00 0.72 O ATOM 830 CB GLN A 51 12.058 10.773 9.523 1.00 0.93 C ATOM 831 CG GLN A 51 12.574 9.985 10.712 1.00 1.08 C ATOM 832 CD GLN A 51 13.936 10.453 11.177 1.00 1.45 C ATOM 833 OE1 GLN A 51 14.042 11.326 12.035 1.00 1.53 O ATOM 834 NE2 GLN A 51 14.986 9.885 10.608 1.00 2.20 N ATOM 0 H GLN A 51 10.111 8.333 9.389 1.00 0.62 H new ATOM 0 HA GLN A 51 9.955 10.492 9.859 1.00 0.70 H new ATOM 0 HB2 GLN A 51 12.762 10.673 8.697 1.00 0.93 H new ATOM 0 HB3 GLN A 51 12.021 11.830 9.785 1.00 0.93 H new ATOM 0 HG2 GLN A 51 11.864 10.071 11.535 1.00 1.08 H new ATOM 0 HG3 GLN A 51 12.628 8.929 10.447 1.00 1.08 H new ATOM 0 HE21 GLN A 51 14.854 9.163 9.899 1.00 2.20 H new ATOM 0 HE22 GLN A 51 15.928 10.168 10.878 1.00 2.20 H new ATOM 843 N SER A 52 9.380 10.562 7.028 1.00 0.51 N ATOM 844 CA SER A 52 8.932 11.205 5.808 1.00 0.50 C ATOM 845 C SER A 52 7.553 11.827 5.998 1.00 0.48 C ATOM 846 O SER A 52 6.831 11.499 6.943 1.00 0.54 O ATOM 847 CB SER A 52 8.912 10.186 4.668 1.00 0.53 C ATOM 848 OG SER A 52 10.161 9.530 4.559 1.00 1.18 O ATOM 0 H SER A 52 8.981 9.637 7.187 1.00 0.51 H new ATOM 0 HA SER A 52 9.627 12.006 5.556 1.00 0.50 H new ATOM 0 HB2 SER A 52 8.125 9.453 4.843 1.00 0.53 H new ATOM 0 HB3 SER A 52 8.677 10.688 3.730 1.00 0.53 H new ATOM 0 HG SER A 52 10.127 8.881 3.825 1.00 1.18 H new ATOM 854 N ALA A 53 7.199 12.721 5.089 1.00 0.54 N ATOM 855 CA ALA A 53 5.949 13.457 5.170 1.00 0.60 C ATOM 856 C ALA A 53 4.910 12.844 4.239 1.00 0.51 C ATOM 857 O ALA A 53 5.243 12.404 3.138 1.00 0.50 O ATOM 858 CB ALA A 53 6.188 14.918 4.819 1.00 0.80 C ATOM 0 H ALA A 53 7.769 12.956 4.276 1.00 0.54 H new ATOM 0 HA ALA A 53 5.568 13.399 6.189 1.00 0.60 H new ATOM 0 HB1 ALA A 53 5.248 15.466 4.881 1.00 0.80 H new ATOM 0 HB2 ALA A 53 6.905 15.348 5.518 1.00 0.80 H new ATOM 0 HB3 ALA A 53 6.583 14.989 3.805 1.00 0.80 H new ATOM 864 N PRO A 54 3.642 12.793 4.683 1.00 0.50 N ATOM 865 CA PRO A 54 2.543 12.225 3.894 1.00 0.43 C ATOM 866 C PRO A 54 2.413 12.887 2.531 1.00 0.38 C ATOM 867 O PRO A 54 2.409 14.114 2.419 1.00 0.41 O ATOM 868 CB PRO A 54 1.304 12.504 4.748 1.00 0.47 C ATOM 869 CG PRO A 54 1.829 12.652 6.133 1.00 0.63 C ATOM 870 CD PRO A 54 3.180 13.290 5.988 1.00 0.57 C ATOM 0 HA PRO A 54 2.697 11.167 3.684 1.00 0.43 H new ATOM 0 HB2 PRO A 54 0.791 13.408 4.420 1.00 0.47 H new ATOM 0 HB3 PRO A 54 0.585 11.688 4.682 1.00 0.47 H new ATOM 0 HG2 PRO A 54 1.167 13.270 6.739 1.00 0.63 H new ATOM 0 HG3 PRO A 54 1.904 11.684 6.629 1.00 0.63 H new ATOM 0 HD2 PRO A 54 3.117 14.378 6.006 1.00 0.57 H new ATOM 0 HD3 PRO A 54 3.854 12.996 6.793 1.00 0.57 H new ATOM 878 N ARG A 55 2.303 12.066 1.501 1.00 0.37 N ATOM 879 CA ARG A 55 2.276 12.550 0.132 1.00 0.40 C ATOM 880 C ARG A 55 1.131 11.901 -0.633 1.00 0.31 C ATOM 881 O ARG A 55 0.830 10.723 -0.434 1.00 0.31 O ATOM 882 CB ARG A 55 3.614 12.238 -0.544 1.00 0.60 C ATOM 883 CG ARG A 55 3.735 12.780 -1.960 1.00 1.07 C ATOM 884 CD ARG A 55 5.087 12.443 -2.563 1.00 1.04 C ATOM 885 NE ARG A 55 6.187 13.042 -1.809 1.00 1.50 N ATOM 886 CZ ARG A 55 7.429 12.567 -1.798 1.00 1.68 C ATOM 887 NH1 ARG A 55 7.719 11.440 -2.437 1.00 1.47 N ATOM 888 NH2 ARG A 55 8.370 13.209 -1.119 1.00 2.51 N ATOM 0 H ARG A 55 2.230 11.052 1.589 1.00 0.37 H new ATOM 0 HA ARG A 55 2.119 13.629 0.134 1.00 0.40 H new ATOM 0 HB2 ARG A 55 4.420 12.651 0.062 1.00 0.60 H new ATOM 0 HB3 ARG A 55 3.754 11.157 -0.567 1.00 0.60 H new ATOM 0 HG2 ARG A 55 2.943 12.362 -2.581 1.00 1.07 H new ATOM 0 HG3 ARG A 55 3.597 13.861 -1.951 1.00 1.07 H new ATOM 0 HD2 ARG A 55 5.213 11.361 -2.589 1.00 1.04 H new ATOM 0 HD3 ARG A 55 5.121 12.793 -3.595 1.00 1.04 H new ATOM 0 HE ARG A 55 5.989 13.877 -1.257 1.00 1.50 H new ATOM 0 HH11 ARG A 55 6.988 10.936 -2.939 1.00 1.47 H new ATOM 0 HH12 ARG A 55 8.673 11.079 -2.426 1.00 1.47 H new ATOM 0 HH21 ARG A 55 8.139 14.062 -0.609 1.00 2.51 H new ATOM 0 HH22 ARG A 55 9.325 12.850 -1.106 1.00 2.51 H new ATOM 902 N VAL A 56 0.486 12.679 -1.488 1.00 0.35 N ATOM 903 CA VAL A 56 -0.613 12.180 -2.299 1.00 0.35 C ATOM 904 C VAL A 56 -0.082 11.503 -3.561 1.00 0.38 C ATOM 905 O VAL A 56 0.780 12.044 -4.254 1.00 0.53 O ATOM 906 CB VAL A 56 -1.602 13.317 -2.669 1.00 0.49 C ATOM 907 CG1 VAL A 56 -0.898 14.451 -3.403 1.00 1.13 C ATOM 908 CG2 VAL A 56 -2.761 12.775 -3.493 1.00 1.25 C ATOM 0 H VAL A 56 0.706 13.663 -1.638 1.00 0.35 H new ATOM 0 HA VAL A 56 -1.156 11.443 -1.708 1.00 0.35 H new ATOM 0 HB VAL A 56 -2.002 13.724 -1.740 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -1.620 15.230 -3.647 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -0.117 14.867 -2.767 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -0.453 14.069 -4.321 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -3.442 13.589 -3.742 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -2.378 12.329 -4.411 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -3.294 12.018 -2.917 1.00 1.25 H new ATOM 918 N TYR A 57 -0.574 10.303 -3.838 1.00 0.30 N ATOM 919 CA TYR A 57 -0.146 9.563 -5.011 1.00 0.33 C ATOM 920 C TYR A 57 -1.339 9.170 -5.858 1.00 0.29 C ATOM 921 O TYR A 57 -2.361 8.734 -5.333 1.00 0.25 O ATOM 922 CB TYR A 57 0.620 8.299 -4.615 1.00 0.36 C ATOM 923 CG TYR A 57 1.968 8.557 -3.983 1.00 0.47 C ATOM 924 CD1 TYR A 57 2.973 9.213 -4.682 1.00 0.70 C ATOM 925 CD2 TYR A 57 2.230 8.155 -2.681 1.00 0.46 C ATOM 926 CE1 TYR A 57 4.201 9.462 -4.100 1.00 0.82 C ATOM 927 CE2 TYR A 57 3.453 8.398 -2.095 1.00 0.56 C ATOM 928 CZ TYR A 57 4.458 9.009 -2.838 1.00 0.70 C ATOM 929 OH TYR A 57 5.652 9.306 -2.217 1.00 0.83 O ATOM 0 H TYR A 57 -1.269 9.824 -3.265 1.00 0.30 H new ATOM 0 HA TYR A 57 0.512 10.214 -5.586 1.00 0.33 H new ATOM 0 HB2 TYR A 57 0.010 7.723 -3.919 1.00 0.36 H new ATOM 0 HB3 TYR A 57 0.761 7.681 -5.502 1.00 0.36 H new ATOM 0 HD1 TYR A 57 2.792 9.534 -5.697 1.00 0.70 H new ATOM 0 HD2 TYR A 57 1.463 7.644 -2.118 1.00 0.46 H new ATOM 0 HE1 TYR A 57 4.955 10.013 -4.642 1.00 0.82 H new ATOM 0 HE2 TYR A 57 3.630 8.117 -1.067 1.00 0.56 H new ATOM 0 HH TYR A 57 6.396 9.078 -2.813 1.00 0.83 H new ATOM 939 N ARG A 58 -1.212 9.323 -7.165 1.00 0.36 N ATOM 940 CA ARG A 58 -2.229 8.833 -8.072 1.00 0.34 C ATOM 941 C ARG A 58 -2.004 7.344 -8.287 1.00 0.32 C ATOM 942 O ARG A 58 -1.041 6.935 -8.935 1.00 0.39 O ATOM 943 CB ARG A 58 -2.194 9.595 -9.408 1.00 0.41 C ATOM 944 CG ARG A 58 -3.400 9.334 -10.315 1.00 0.47 C ATOM 945 CD ARG A 58 -3.339 7.973 -11.006 1.00 1.05 C ATOM 946 NE ARG A 58 -2.651 8.027 -12.297 1.00 1.91 N ATOM 947 CZ ARG A 58 -1.505 7.399 -12.578 1.00 2.95 C ATOM 948 NH1 ARG A 58 -0.825 6.773 -11.622 1.00 3.38 N ATOM 949 NH2 ARG A 58 -1.027 7.421 -13.817 1.00 3.81 N ATOM 0 H ARG A 58 -0.420 9.780 -7.617 1.00 0.36 H new ATOM 0 HA ARG A 58 -3.216 8.997 -7.639 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -2.134 10.664 -9.202 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -1.285 9.322 -9.944 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -4.313 9.395 -9.723 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -3.457 10.118 -11.071 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -2.829 7.262 -10.356 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -4.352 7.599 -11.154 1.00 1.05 H new ATOM 0 HE ARG A 58 -3.078 8.585 -13.037 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -1.177 6.769 -10.665 1.00 3.38 H new ATOM 0 HH12 ARG A 58 0.049 6.296 -11.846 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -1.534 7.916 -14.551 1.00 3.81 H new ATOM 0 HH22 ARG A 58 -0.153 6.943 -14.035 1.00 3.81 H new ATOM 963 N VAL A 59 -2.884 6.545 -7.725 1.00 0.29 N ATOM 964 CA VAL A 59 -2.787 5.103 -7.829 1.00 0.27 C ATOM 965 C VAL A 59 -3.310 4.643 -9.178 1.00 0.27 C ATOM 966 O VAL A 59 -4.398 5.053 -9.598 1.00 0.29 O ATOM 967 CB VAL A 59 -3.579 4.418 -6.708 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.398 2.915 -6.759 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.164 4.967 -5.355 1.00 0.24 C ATOM 0 H VAL A 59 -3.684 6.873 -7.185 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.738 4.825 -7.732 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.637 4.632 -6.856 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -3.969 2.452 -5.954 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -3.752 2.538 -7.719 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.342 2.671 -6.641 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -3.735 4.471 -4.570 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -2.100 4.786 -5.200 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.358 6.039 -5.322 1.00 0.24 H new ATOM 979 N ASN A 60 -2.527 3.810 -9.854 1.00 0.28 N ATOM 980 CA ASN A 60 -2.879 3.342 -11.188 1.00 0.32 C ATOM 981 C ASN A 60 -3.553 1.976 -11.111 1.00 0.35 C ATOM 982 O ASN A 60 -4.144 1.503 -12.080 1.00 0.46 O ATOM 983 CB ASN A 60 -1.632 3.276 -12.082 1.00 0.39 C ATOM 984 CG ASN A 60 -1.974 3.108 -13.555 1.00 1.24 C ATOM 985 OD1 ASN A 60 -2.194 4.086 -14.266 1.00 1.61 O ATOM 986 ND2 ASN A 60 -2.007 1.870 -14.023 1.00 2.10 N ATOM 0 H ASN A 60 -1.643 3.445 -9.499 1.00 0.28 H new ATOM 0 HA ASN A 60 -3.581 4.050 -11.629 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -1.047 4.186 -11.951 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -1.004 2.445 -11.762 1.00 0.39 H new ATOM 0 HD21 ASN A 60 -2.221 1.702 -15.006 1.00 2.10 H new ATOM 0 HD22 ASN A 60 -1.819 1.084 -13.400 1.00 2.10 H new ATOM 993 N GLY A 61 -3.455 1.334 -9.958 1.00 0.29 N ATOM 994 CA GLY A 61 -4.152 0.080 -9.761 1.00 0.35 C ATOM 995 C GLY A 61 -3.572 -0.732 -8.627 1.00 0.30 C ATOM 996 O GLY A 61 -2.907 -0.195 -7.744 1.00 0.24 O ATOM 0 H GLY A 61 -2.909 1.656 -9.159 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -5.204 0.281 -9.559 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -4.110 -0.504 -10.680 1.00 0.35 H new ATOM 1000 N LEU A 62 -3.824 -2.026 -8.655 1.00 0.40 N ATOM 1001 CA LEU A 62 -3.317 -2.928 -7.639 1.00 0.37 C ATOM 1002 C LEU A 62 -2.311 -3.880 -8.247 1.00 0.40 C ATOM 1003 O LEU A 62 -2.328 -4.134 -9.453 1.00 0.46 O ATOM 1004 CB LEU A 62 -4.462 -3.718 -7.008 1.00 0.36 C ATOM 1005 CG LEU A 62 -5.383 -2.910 -6.095 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.659 -3.675 -5.815 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -4.681 -2.594 -4.788 1.00 0.42 C ATOM 0 H LEU A 62 -4.382 -2.480 -9.378 1.00 0.40 H new ATOM 0 HA LEU A 62 -2.829 -2.338 -6.863 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -5.061 -4.158 -7.805 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -4.040 -4.543 -6.434 1.00 0.36 H new ATOM 0 HG LEU A 62 -5.634 -1.978 -6.602 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -7.302 -3.084 -5.163 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -7.177 -3.874 -6.753 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -6.417 -4.619 -5.327 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -5.348 -2.018 -4.147 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -4.409 -3.523 -4.287 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -3.781 -2.013 -4.990 1.00 0.42 H new ATOM 1019 N SER A 63 -1.430 -4.389 -7.414 1.00 0.39 N ATOM 1020 CA SER A 63 -0.473 -5.383 -7.837 1.00 0.45 C ATOM 1021 C SER A 63 -1.044 -6.763 -7.561 1.00 0.43 C ATOM 1022 O SER A 63 -1.677 -6.983 -6.531 1.00 0.51 O ATOM 1023 CB SER A 63 0.844 -5.193 -7.097 1.00 0.53 C ATOM 1024 OG SER A 63 1.829 -6.106 -7.556 1.00 1.45 O ATOM 0 H SER A 63 -1.358 -4.127 -6.431 1.00 0.39 H new ATOM 0 HA SER A 63 -0.280 -5.277 -8.904 1.00 0.45 H new ATOM 0 HB2 SER A 63 1.198 -4.172 -7.237 1.00 0.53 H new ATOM 0 HB3 SER A 63 0.686 -5.332 -6.027 1.00 0.53 H new ATOM 0 HG SER A 63 2.241 -6.555 -6.789 1.00 1.45 H new ATOM 1030 N ARG A 64 -0.814 -7.679 -8.484 1.00 0.51 N ATOM 1031 CA ARG A 64 -1.399 -9.009 -8.417 1.00 0.56 C ATOM 1032 C ARG A 64 -0.726 -9.886 -7.360 1.00 0.47 C ATOM 1033 O ARG A 64 -1.148 -11.022 -7.135 1.00 0.54 O ATOM 1034 CB ARG A 64 -1.323 -9.675 -9.788 1.00 0.75 C ATOM 1035 CG ARG A 64 -2.095 -8.926 -10.862 1.00 1.20 C ATOM 1036 CD ARG A 64 -3.586 -8.894 -10.565 1.00 1.80 C ATOM 1037 NE ARG A 64 -4.175 -10.233 -10.590 1.00 2.42 N ATOM 1038 CZ ARG A 64 -5.457 -10.483 -10.852 1.00 3.15 C ATOM 1039 NH1 ARG A 64 -6.322 -9.488 -11.016 1.00 3.47 N ATOM 1040 NH2 ARG A 64 -5.879 -11.736 -10.934 1.00 3.98 N ATOM 0 H ARG A 64 -0.219 -7.525 -9.298 1.00 0.51 H new ATOM 0 HA ARG A 64 -2.442 -8.897 -8.121 1.00 0.56 H new ATOM 0 HB2 ARG A 64 -0.278 -9.754 -10.089 1.00 0.75 H new ATOM 0 HB3 ARG A 64 -1.711 -10.691 -9.713 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -1.717 -7.906 -10.937 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -1.927 -9.401 -11.829 1.00 1.20 H new ATOM 0 HD2 ARG A 64 -3.752 -8.442 -9.587 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -4.089 -8.262 -11.297 1.00 1.80 H new ATOM 0 HE ARG A 64 -3.565 -11.026 -10.394 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -6.007 -8.521 -10.942 1.00 3.47 H new ATOM 0 HH12 ARG A 64 -7.301 -9.691 -11.216 1.00 3.47 H new ATOM 0 HH21 ARG A 64 -5.223 -12.505 -10.797 1.00 3.98 H new ATOM 0 HH22 ARG A 64 -6.860 -11.932 -11.134 1.00 3.98 H new ATOM 1054 N ALA A 65 0.327 -9.377 -6.735 1.00 0.42 N ATOM 1055 CA ALA A 65 1.028 -10.120 -5.695 1.00 0.44 C ATOM 1056 C ALA A 65 1.043 -9.350 -4.374 1.00 0.42 C ATOM 1057 O ALA A 65 1.285 -8.139 -4.346 1.00 0.43 O ATOM 1058 CB ALA A 65 2.447 -10.444 -6.139 1.00 0.59 C ATOM 0 H ALA A 65 0.715 -8.454 -6.929 1.00 0.42 H new ATOM 0 HA ALA A 65 0.490 -11.053 -5.530 1.00 0.44 H new ATOM 0 HB1 ALA A 65 2.957 -10.999 -5.351 1.00 0.59 H new ATOM 0 HB2 ALA A 65 2.416 -11.048 -7.046 1.00 0.59 H new ATOM 0 HB3 ALA A 65 2.986 -9.518 -6.338 1.00 0.59 H new ATOM 1064 N PRO A 66 0.760 -10.053 -3.260 1.00 0.41 N ATOM 1065 CA PRO A 66 0.791 -9.472 -1.912 1.00 0.42 C ATOM 1066 C PRO A 66 2.204 -9.081 -1.484 1.00 0.43 C ATOM 1067 O PRO A 66 3.195 -9.644 -1.959 1.00 0.45 O ATOM 1068 CB PRO A 66 0.261 -10.598 -1.011 1.00 0.46 C ATOM 1069 CG PRO A 66 -0.382 -11.577 -1.930 1.00 0.62 C ATOM 1070 CD PRO A 66 0.361 -11.469 -3.228 1.00 0.46 C ATOM 0 HA PRO A 66 0.204 -8.555 -1.858 1.00 0.42 H new ATOM 0 HB2 PRO A 66 1.070 -11.063 -0.447 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.455 -10.214 -0.284 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -0.322 -12.588 -1.528 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -1.440 -11.350 -2.065 1.00 0.62 H new ATOM 0 HD2 PRO A 66 1.225 -12.133 -3.256 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -0.270 -11.731 -4.078 1.00 0.46 H new ATOM 1078 N ALA A 67 2.278 -8.128 -0.560 1.00 0.54 N ATOM 1079 CA ALA A 67 3.552 -7.552 -0.126 1.00 0.63 C ATOM 1080 C ALA A 67 4.414 -8.561 0.623 1.00 0.52 C ATOM 1081 O ALA A 67 5.620 -8.364 0.782 1.00 0.57 O ATOM 1082 CB ALA A 67 3.303 -6.331 0.747 1.00 0.88 C ATOM 0 H ALA A 67 1.463 -7.733 -0.091 1.00 0.54 H new ATOM 0 HA ALA A 67 4.098 -7.257 -1.022 1.00 0.63 H new ATOM 0 HB1 ALA A 67 4.257 -5.910 1.065 1.00 0.88 H new ATOM 0 HB2 ALA A 67 2.748 -5.584 0.179 1.00 0.88 H new ATOM 0 HB3 ALA A 67 2.725 -6.623 1.624 1.00 0.88 H new ATOM 1088 N SER A 68 3.795 -9.631 1.097 1.00 0.49 N ATOM 1089 CA SER A 68 4.520 -10.681 1.797 1.00 0.52 C ATOM 1090 C SER A 68 5.028 -11.727 0.803 1.00 0.47 C ATOM 1091 O SER A 68 5.802 -12.616 1.160 1.00 0.58 O ATOM 1092 CB SER A 68 3.608 -11.332 2.846 1.00 0.64 C ATOM 1093 OG SER A 68 4.339 -12.168 3.729 1.00 1.73 O ATOM 0 H SER A 68 2.792 -9.796 1.010 1.00 0.49 H new ATOM 0 HA SER A 68 5.380 -10.244 2.303 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.099 -10.556 3.417 1.00 0.64 H new ATOM 0 HB3 SER A 68 2.837 -11.917 2.345 1.00 0.64 H new ATOM 0 HG SER A 68 5.062 -12.611 3.237 1.00 1.73 H new ATOM 1099 N SER A 69 4.610 -11.593 -0.453 1.00 0.43 N ATOM 1100 CA SER A 69 4.906 -12.592 -1.466 1.00 0.52 C ATOM 1101 C SER A 69 5.969 -12.098 -2.453 1.00 0.56 C ATOM 1102 O SER A 69 6.843 -12.864 -2.861 1.00 0.88 O ATOM 1103 CB SER A 69 3.616 -12.961 -2.209 1.00 0.67 C ATOM 1104 OG SER A 69 3.797 -14.078 -3.063 1.00 1.30 O ATOM 0 H SER A 69 4.065 -10.800 -0.790 1.00 0.43 H new ATOM 0 HA SER A 69 5.309 -13.475 -0.971 1.00 0.52 H new ATOM 0 HB2 SER A 69 2.831 -13.181 -1.485 1.00 0.67 H new ATOM 0 HB3 SER A 69 3.278 -12.107 -2.796 1.00 0.67 H new ATOM 0 HG SER A 69 2.953 -14.283 -3.517 1.00 1.30 H new ATOM 1110 N GLU A 70 5.905 -10.822 -2.831 1.00 0.52 N ATOM 1111 CA GLU A 70 6.829 -10.288 -3.830 1.00 0.53 C ATOM 1112 C GLU A 70 8.069 -9.685 -3.160 1.00 0.47 C ATOM 1113 O GLU A 70 7.998 -9.182 -2.035 1.00 0.45 O ATOM 1114 CB GLU A 70 6.128 -9.256 -4.719 1.00 0.64 C ATOM 1115 CG GLU A 70 6.797 -9.093 -6.077 1.00 1.19 C ATOM 1116 CD GLU A 70 5.953 -8.318 -7.067 1.00 1.34 C ATOM 1117 OE1 GLU A 70 5.073 -8.927 -7.711 1.00 1.91 O ATOM 1118 OE2 GLU A 70 6.148 -7.087 -7.184 1.00 1.74 O ATOM 0 H GLU A 70 5.233 -10.147 -2.466 1.00 0.52 H new ATOM 0 HA GLU A 70 7.158 -11.111 -4.464 1.00 0.53 H new ATOM 0 HB2 GLU A 70 5.090 -9.554 -4.864 1.00 0.64 H new ATOM 0 HB3 GLU A 70 6.114 -8.293 -4.208 1.00 0.64 H new ATOM 0 HG2 GLU A 70 7.752 -8.584 -5.946 1.00 1.19 H new ATOM 0 HG3 GLU A 70 7.015 -10.079 -6.488 1.00 1.19 H new ATOM 1125 N THR A 71 9.201 -9.737 -3.861 1.00 0.52 N ATOM 1126 CA THR A 71 10.483 -9.349 -3.284 1.00 0.53 C ATOM 1127 C THR A 71 11.193 -8.270 -4.098 1.00 0.61 C ATOM 1128 O THR A 71 10.887 -8.048 -5.272 1.00 0.70 O ATOM 1129 CB THR A 71 11.427 -10.566 -3.194 1.00 0.54 C ATOM 1130 OG1 THR A 71 11.555 -11.180 -4.484 1.00 1.06 O ATOM 1131 CG2 THR A 71 10.921 -11.592 -2.195 1.00 0.91 C ATOM 0 H THR A 71 9.254 -10.045 -4.832 1.00 0.52 H new ATOM 0 HA THR A 71 10.258 -8.953 -2.294 1.00 0.53 H new ATOM 0 HB THR A 71 12.399 -10.209 -2.853 1.00 0.54 H new ATOM 0 HG1 THR A 71 12.157 -11.951 -4.421 1.00 1.06 H new ATOM 0 HG21 THR A 71 11.611 -12.435 -2.158 1.00 0.91 H new ATOM 0 HG22 THR A 71 10.853 -11.136 -1.208 1.00 0.91 H new ATOM 0 HG23 THR A 71 9.936 -11.943 -2.501 1.00 0.91 H new ATOM 1139 N PHE A 72 12.144 -7.612 -3.450 1.00 0.63 N ATOM 1140 CA PHE A 72 13.104 -6.749 -4.119 1.00 0.72 C ATOM 1141 C PHE A 72 14.467 -6.960 -3.467 1.00 0.70 C ATOM 1142 O PHE A 72 14.541 -7.384 -2.312 1.00 0.66 O ATOM 1143 CB PHE A 72 12.683 -5.269 -4.064 1.00 0.84 C ATOM 1144 CG PHE A 72 12.568 -4.688 -2.680 1.00 0.56 C ATOM 1145 CD1 PHE A 72 13.687 -4.208 -2.016 1.00 0.55 C ATOM 1146 CD2 PHE A 72 11.336 -4.606 -2.050 1.00 0.85 C ATOM 1147 CE1 PHE A 72 13.580 -3.665 -0.752 1.00 0.79 C ATOM 1148 CE2 PHE A 72 11.225 -4.061 -0.787 1.00 1.33 C ATOM 1149 CZ PHE A 72 12.348 -3.591 -0.137 1.00 1.27 C ATOM 0 H PHE A 72 12.271 -7.663 -2.439 1.00 0.63 H new ATOM 0 HA PHE A 72 13.150 -7.012 -5.176 1.00 0.72 H new ATOM 0 HB2 PHE A 72 13.406 -4.681 -4.629 1.00 0.84 H new ATOM 0 HB3 PHE A 72 11.722 -5.162 -4.567 1.00 0.84 H new ATOM 0 HD1 PHE A 72 14.654 -4.260 -2.494 1.00 0.55 H new ATOM 0 HD2 PHE A 72 10.453 -4.973 -2.553 1.00 0.85 H new ATOM 0 HE1 PHE A 72 14.460 -3.298 -0.245 1.00 0.79 H new ATOM 0 HE2 PHE A 72 10.259 -4.002 -0.307 1.00 1.33 H new ATOM 0 HZ PHE A 72 12.262 -3.166 0.852 1.00 1.27 H new ATOM 1159 N GLU A 73 15.540 -6.686 -4.185 1.00 0.81 N ATOM 1160 CA GLU A 73 16.863 -7.020 -3.685 1.00 0.85 C ATOM 1161 C GLU A 73 17.479 -5.840 -2.931 1.00 0.87 C ATOM 1162 O GLU A 73 17.891 -4.843 -3.525 1.00 0.95 O ATOM 1163 CB GLU A 73 17.756 -7.476 -4.843 1.00 1.02 C ATOM 1164 CG GLU A 73 18.974 -8.274 -4.400 1.00 1.12 C ATOM 1165 CD GLU A 73 19.668 -8.962 -5.558 1.00 1.45 C ATOM 1166 OE1 GLU A 73 20.392 -8.283 -6.321 1.00 1.58 O ATOM 1167 OE2 GLU A 73 19.491 -10.187 -5.718 1.00 2.00 O ATOM 0 H GLU A 73 15.525 -6.240 -5.102 1.00 0.81 H new ATOM 0 HA GLU A 73 16.775 -7.842 -2.975 1.00 0.85 H new ATOM 0 HB2 GLU A 73 17.165 -8.083 -5.529 1.00 1.02 H new ATOM 0 HB3 GLU A 73 18.089 -6.600 -5.399 1.00 1.02 H new ATOM 0 HG2 GLU A 73 19.679 -7.609 -3.901 1.00 1.12 H new ATOM 0 HG3 GLU A 73 18.668 -9.021 -3.668 1.00 1.12 H new ATOM 1174 N HIS A 74 17.530 -5.980 -1.612 1.00 0.85 N ATOM 1175 CA HIS A 74 18.094 -4.968 -0.728 1.00 0.94 C ATOM 1176 C HIS A 74 19.386 -5.488 -0.116 1.00 1.04 C ATOM 1177 O HIS A 74 19.392 -6.560 0.488 1.00 1.03 O ATOM 1178 CB HIS A 74 17.086 -4.608 0.377 1.00 0.95 C ATOM 1179 CG HIS A 74 17.646 -3.742 1.472 1.00 1.21 C ATOM 1180 ND1 HIS A 74 17.757 -2.380 1.333 1.00 1.83 N ATOM 1181 CD2 HIS A 74 18.107 -4.099 2.695 1.00 1.63 C ATOM 1182 CE1 HIS A 74 18.277 -1.941 2.467 1.00 1.89 C ATOM 1183 NE2 HIS A 74 18.508 -2.947 3.324 1.00 1.71 N ATOM 0 H HIS A 74 17.179 -6.804 -1.123 1.00 0.85 H new ATOM 0 HA HIS A 74 18.310 -4.068 -1.304 1.00 0.94 H new ATOM 0 HB2 HIS A 74 16.237 -4.096 -0.076 1.00 0.95 H new ATOM 0 HB3 HIS A 74 16.705 -5.529 0.818 1.00 0.95 H new ATOM 0 HD2 HIS A 74 18.151 -5.100 3.098 1.00 1.63 H new ATOM 0 HE1 HIS A 74 18.489 -0.903 2.677 1.00 1.89 H new ATOM 0 HE2 HIS A 74 18.904 -2.871 4.261 1.00 1.71 H new ATOM 1191 N ASP A 75 20.478 -4.744 -0.294 1.00 1.23 N ATOM 1192 CA ASP A 75 21.780 -5.126 0.270 1.00 1.40 C ATOM 1193 C ASP A 75 22.270 -6.433 -0.366 1.00 1.35 C ATOM 1194 O ASP A 75 23.105 -7.150 0.184 1.00 1.42 O ATOM 1195 CB ASP A 75 21.666 -5.261 1.800 1.00 1.50 C ATOM 1196 CG ASP A 75 22.990 -5.501 2.498 1.00 1.87 C ATOM 1197 OD1 ASP A 75 23.737 -4.523 2.719 1.00 2.37 O ATOM 1198 OD2 ASP A 75 23.274 -6.666 2.863 1.00 2.24 O ATOM 0 H ASP A 75 20.490 -3.873 -0.824 1.00 1.23 H new ATOM 0 HA ASP A 75 22.512 -4.349 0.047 1.00 1.40 H new ATOM 0 HB2 ASP A 75 21.214 -4.354 2.202 1.00 1.50 H new ATOM 0 HB3 ASP A 75 20.990 -6.084 2.033 1.00 1.50 H new ATOM 1203 N GLY A 76 21.741 -6.736 -1.545 1.00 1.31 N ATOM 1204 CA GLY A 76 22.066 -7.987 -2.205 1.00 1.35 C ATOM 1205 C GLY A 76 21.232 -9.141 -1.677 1.00 1.18 C ATOM 1206 O GLY A 76 21.389 -10.285 -2.104 1.00 1.26 O ATOM 0 H GLY A 76 21.092 -6.138 -2.057 1.00 1.31 H new ATOM 0 HA2 GLY A 76 21.904 -7.884 -3.278 1.00 1.35 H new ATOM 0 HA3 GLY A 76 23.124 -8.209 -2.062 1.00 1.35 H new ATOM 1210 N LYS A 77 20.344 -8.833 -0.741 1.00 1.01 N ATOM 1211 CA LYS A 77 19.465 -9.827 -0.145 1.00 0.88 C ATOM 1212 C LYS A 77 18.065 -9.675 -0.726 1.00 0.78 C ATOM 1213 O LYS A 77 17.555 -8.563 -0.844 1.00 0.79 O ATOM 1214 CB LYS A 77 19.410 -9.646 1.378 1.00 0.93 C ATOM 1215 CG LYS A 77 20.765 -9.413 2.034 1.00 1.19 C ATOM 1216 CD LYS A 77 21.686 -10.612 1.887 1.00 1.33 C ATOM 1217 CE LYS A 77 23.015 -10.387 2.598 1.00 2.02 C ATOM 1218 NZ LYS A 77 23.791 -9.259 2.013 1.00 2.54 N ATOM 0 H LYS A 77 20.214 -7.890 -0.375 1.00 1.01 H new ATOM 0 HA LYS A 77 19.852 -10.822 -0.367 1.00 0.88 H new ATOM 0 HB2 LYS A 77 18.759 -8.803 1.608 1.00 0.93 H new ATOM 0 HB3 LYS A 77 18.953 -10.531 1.821 1.00 0.93 H new ATOM 0 HG2 LYS A 77 21.237 -8.537 1.588 1.00 1.19 H new ATOM 0 HG3 LYS A 77 20.622 -9.194 3.092 1.00 1.19 H new ATOM 0 HD2 LYS A 77 21.199 -11.498 2.295 1.00 1.33 H new ATOM 0 HD3 LYS A 77 21.866 -10.806 0.830 1.00 1.33 H new ATOM 0 HE2 LYS A 77 22.829 -10.187 3.653 1.00 2.02 H new ATOM 0 HE3 LYS A 77 23.610 -11.299 2.546 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 24.806 -9.484 2.042 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 23.497 -9.111 1.026 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 23.612 -8.394 2.561 1.00 2.54 H new ATOM 1232 N LYS A 78 17.447 -10.780 -1.097 1.00 0.74 N ATOM 1233 CA LYS A 78 16.100 -10.739 -1.642 1.00 0.72 C ATOM 1234 C LYS A 78 15.083 -10.601 -0.519 1.00 0.64 C ATOM 1235 O LYS A 78 14.675 -11.583 0.102 1.00 0.78 O ATOM 1236 CB LYS A 78 15.823 -11.978 -2.485 1.00 0.81 C ATOM 1237 CG LYS A 78 16.590 -11.974 -3.794 1.00 0.92 C ATOM 1238 CD LYS A 78 16.415 -13.270 -4.557 1.00 1.05 C ATOM 1239 CE LYS A 78 17.094 -13.203 -5.913 1.00 1.73 C ATOM 1240 NZ LYS A 78 18.526 -12.808 -5.808 1.00 2.52 N ATOM 0 H LYS A 78 17.852 -11.714 -1.032 1.00 0.74 H new ATOM 0 HA LYS A 78 16.011 -9.868 -2.292 1.00 0.72 H new ATOM 0 HB2 LYS A 78 16.089 -12.868 -1.915 1.00 0.81 H new ATOM 0 HB3 LYS A 78 14.755 -12.040 -2.694 1.00 0.81 H new ATOM 0 HG2 LYS A 78 16.251 -11.142 -4.411 1.00 0.92 H new ATOM 0 HG3 LYS A 78 17.649 -11.811 -3.593 1.00 0.92 H new ATOM 0 HD2 LYS A 78 16.832 -14.095 -3.979 1.00 1.05 H new ATOM 0 HD3 LYS A 78 15.353 -13.477 -4.689 1.00 1.05 H new ATOM 0 HE2 LYS A 78 17.022 -14.175 -6.401 1.00 1.73 H new ATOM 0 HE3 LYS A 78 16.568 -12.488 -6.546 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 19.050 -13.183 -6.624 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 18.600 -11.771 -5.796 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 18.929 -13.194 -4.930 1.00 2.52 H new ATOM 1254 N VAL A 79 14.687 -9.365 -0.270 1.00 0.53 N ATOM 1255 CA VAL A 79 13.804 -9.042 0.833 1.00 0.49 C ATOM 1256 C VAL A 79 12.388 -8.818 0.318 1.00 0.43 C ATOM 1257 O VAL A 79 12.197 -8.268 -0.765 1.00 0.45 O ATOM 1258 CB VAL A 79 14.310 -7.764 1.546 1.00 0.57 C ATOM 1259 CG1 VAL A 79 13.433 -7.391 2.729 1.00 1.31 C ATOM 1260 CG2 VAL A 79 15.754 -7.937 1.992 1.00 1.38 C ATOM 0 H VAL A 79 14.969 -8.559 -0.827 1.00 0.53 H new ATOM 0 HA VAL A 79 13.797 -9.872 1.540 1.00 0.49 H new ATOM 0 HB VAL A 79 14.257 -6.947 0.826 1.00 0.57 H new ATOM 0 HG11 VAL A 79 13.823 -6.489 3.201 1.00 1.31 H new ATOM 0 HG12 VAL A 79 12.415 -7.209 2.384 1.00 1.31 H new ATOM 0 HG13 VAL A 79 13.431 -8.207 3.452 1.00 1.31 H new ATOM 0 HG21 VAL A 79 16.092 -7.029 2.491 1.00 1.38 H new ATOM 0 HG22 VAL A 79 15.823 -8.778 2.682 1.00 1.38 H new ATOM 0 HG23 VAL A 79 16.383 -8.129 1.123 1.00 1.38 H new ATOM 1270 N THR A 80 11.397 -9.237 1.086 1.00 0.42 N ATOM 1271 CA THR A 80 10.015 -9.015 0.706 1.00 0.40 C ATOM 1272 C THR A 80 9.585 -7.623 1.137 1.00 0.39 C ATOM 1273 O THR A 80 10.162 -7.064 2.073 1.00 0.42 O ATOM 1274 CB THR A 80 9.064 -10.055 1.335 1.00 0.42 C ATOM 1275 OG1 THR A 80 9.136 -9.981 2.759 1.00 0.49 O ATOM 1276 CG2 THR A 80 9.412 -11.465 0.886 1.00 0.45 C ATOM 0 H THR A 80 11.523 -9.729 1.970 1.00 0.42 H new ATOM 0 HA THR A 80 9.954 -9.116 -0.378 1.00 0.40 H new ATOM 0 HB THR A 80 8.051 -9.827 1.002 1.00 0.42 H new ATOM 0 HG1 THR A 80 8.430 -10.536 3.152 1.00 0.49 H new ATOM 0 HG21 THR A 80 8.724 -12.174 1.347 1.00 0.45 H new ATOM 0 HG22 THR A 80 9.330 -11.532 -0.199 1.00 0.45 H new ATOM 0 HG23 THR A 80 10.432 -11.702 1.188 1.00 0.45 H new ATOM 1284 N ILE A 81 8.594 -7.059 0.468 1.00 0.40 N ATOM 1285 CA ILE A 81 8.122 -5.728 0.817 1.00 0.40 C ATOM 1286 C ILE A 81 7.671 -5.681 2.280 1.00 0.36 C ATOM 1287 O ILE A 81 8.023 -4.758 3.018 1.00 0.37 O ATOM 1288 CB ILE A 81 6.986 -5.268 -0.126 1.00 0.44 C ATOM 1289 CG1 ILE A 81 7.528 -5.133 -1.555 1.00 0.60 C ATOM 1290 CG2 ILE A 81 6.384 -3.954 0.349 1.00 0.48 C ATOM 1291 CD1 ILE A 81 6.553 -4.510 -2.530 1.00 0.81 C ATOM 0 H ILE A 81 8.104 -7.496 -0.313 1.00 0.40 H new ATOM 0 HA ILE A 81 8.954 -5.035 0.692 1.00 0.40 H new ATOM 0 HB ILE A 81 6.194 -6.017 -0.115 1.00 0.44 H new ATOM 0 HG12 ILE A 81 8.437 -4.531 -1.532 1.00 0.60 H new ATOM 0 HG13 ILE A 81 7.809 -6.121 -1.920 1.00 0.60 H new ATOM 0 HG21 ILE A 81 5.587 -3.652 -0.331 1.00 0.48 H new ATOM 0 HG22 ILE A 81 5.976 -4.082 1.352 1.00 0.48 H new ATOM 0 HG23 ILE A 81 7.157 -3.185 0.367 1.00 0.48 H new ATOM 0 HD11 ILE A 81 7.013 -4.451 -3.516 1.00 0.81 H new ATOM 0 HD12 ILE A 81 5.653 -5.122 -2.586 1.00 0.81 H new ATOM 0 HD13 ILE A 81 6.290 -3.508 -2.191 1.00 0.81 H new ATOM 1303 N ALA A 82 6.945 -6.708 2.705 1.00 0.36 N ATOM 1304 CA ALA A 82 6.457 -6.786 4.075 1.00 0.39 C ATOM 1305 C ALA A 82 7.603 -6.842 5.085 1.00 0.41 C ATOM 1306 O ALA A 82 7.596 -6.113 6.076 1.00 0.43 O ATOM 1307 CB ALA A 82 5.541 -7.988 4.244 1.00 0.44 C ATOM 0 H ALA A 82 6.681 -7.500 2.118 1.00 0.36 H new ATOM 0 HA ALA A 82 5.890 -5.877 4.273 1.00 0.39 H new ATOM 0 HB1 ALA A 82 5.185 -8.032 5.273 1.00 0.44 H new ATOM 0 HB2 ALA A 82 4.690 -7.895 3.569 1.00 0.44 H new ATOM 0 HB3 ALA A 82 6.091 -8.900 4.011 1.00 0.44 H new ATOM 1313 N SER A 83 8.591 -7.697 4.828 1.00 0.46 N ATOM 1314 CA SER A 83 9.725 -7.841 5.736 1.00 0.54 C ATOM 1315 C SER A 83 10.576 -6.575 5.777 1.00 0.53 C ATOM 1316 O SER A 83 11.228 -6.293 6.783 1.00 0.56 O ATOM 1317 CB SER A 83 10.580 -9.050 5.351 1.00 0.67 C ATOM 1318 OG SER A 83 9.907 -10.262 5.656 1.00 1.08 O ATOM 0 H SER A 83 8.629 -8.297 4.004 1.00 0.46 H new ATOM 0 HA SER A 83 9.324 -8.004 6.736 1.00 0.54 H new ATOM 0 HB2 SER A 83 10.809 -9.014 4.286 1.00 0.67 H new ATOM 0 HB3 SER A 83 11.531 -9.013 5.883 1.00 0.67 H new ATOM 0 HG SER A 83 9.477 -10.610 4.847 1.00 1.08 H new ATOM 1324 N TYR A 84 10.569 -5.811 4.693 1.00 0.51 N ATOM 1325 CA TYR A 84 11.305 -4.556 4.657 1.00 0.55 C ATOM 1326 C TYR A 84 10.727 -3.568 5.667 1.00 0.53 C ATOM 1327 O TYR A 84 11.459 -2.978 6.460 1.00 0.57 O ATOM 1328 CB TYR A 84 11.271 -3.953 3.253 1.00 0.58 C ATOM 1329 CG TYR A 84 11.931 -2.595 3.168 1.00 0.64 C ATOM 1330 CD1 TYR A 84 13.315 -2.467 3.212 1.00 0.74 C ATOM 1331 CD2 TYR A 84 11.168 -1.442 3.058 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.918 -1.227 3.146 1.00 0.81 C ATOM 1333 CE2 TYR A 84 11.763 -0.196 2.991 1.00 0.71 C ATOM 1334 CZ TYR A 84 13.139 -0.095 3.035 1.00 0.80 C ATOM 1335 OH TYR A 84 13.738 1.142 2.975 1.00 0.88 O ATOM 0 H TYR A 84 10.066 -6.036 3.834 1.00 0.51 H new ATOM 0 HA TYR A 84 12.342 -4.761 4.923 1.00 0.55 H new ATOM 0 HB2 TYR A 84 11.766 -4.634 2.561 1.00 0.58 H new ATOM 0 HB3 TYR A 84 10.234 -3.866 2.928 1.00 0.58 H new ATOM 0 HD1 TYR A 84 13.928 -3.352 3.299 1.00 0.74 H new ATOM 0 HD2 TYR A 84 10.091 -1.519 3.024 1.00 0.63 H new ATOM 0 HE1 TYR A 84 14.994 -1.144 3.181 1.00 0.81 H new ATOM 0 HE2 TYR A 84 11.155 0.693 2.905 1.00 0.71 H new ATOM 0 HH TYR A 84 13.050 1.835 2.897 1.00 0.88 H new ATOM 1345 N PHE A 85 9.409 -3.403 5.646 1.00 0.48 N ATOM 1346 CA PHE A 85 8.740 -2.532 6.605 1.00 0.48 C ATOM 1347 C PHE A 85 8.840 -3.120 8.009 1.00 0.51 C ATOM 1348 O PHE A 85 9.015 -2.391 8.983 1.00 0.59 O ATOM 1349 CB PHE A 85 7.281 -2.290 6.207 1.00 0.48 C ATOM 1350 CG PHE A 85 7.147 -1.468 4.957 1.00 0.51 C ATOM 1351 CD1 PHE A 85 7.341 -0.096 4.992 1.00 0.87 C ATOM 1352 CD2 PHE A 85 6.841 -2.065 3.748 1.00 0.57 C ATOM 1353 CE1 PHE A 85 7.233 0.664 3.842 1.00 0.94 C ATOM 1354 CE2 PHE A 85 6.729 -1.310 2.595 1.00 0.65 C ATOM 1355 CZ PHE A 85 6.926 0.055 2.641 1.00 0.70 C ATOM 0 H PHE A 85 8.786 -3.858 4.979 1.00 0.48 H new ATOM 0 HA PHE A 85 9.242 -1.565 6.602 1.00 0.48 H new ATOM 0 HB2 PHE A 85 6.785 -3.250 6.060 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.765 -1.787 7.024 1.00 0.48 H new ATOM 0 HD1 PHE A 85 7.579 0.385 5.929 1.00 0.87 H new ATOM 0 HD2 PHE A 85 6.688 -3.133 3.704 1.00 0.57 H new ATOM 0 HE1 PHE A 85 7.388 1.732 3.883 1.00 0.94 H new ATOM 0 HE2 PHE A 85 6.487 -1.789 1.658 1.00 0.65 H new ATOM 0 HZ PHE A 85 6.840 0.645 1.741 1.00 0.70 H new ATOM 1365 N HIS A 86 8.747 -4.444 8.095 1.00 0.49 N ATOM 1366 CA HIS A 86 8.941 -5.162 9.354 1.00 0.54 C ATOM 1367 C HIS A 86 10.297 -4.803 9.973 1.00 0.57 C ATOM 1368 O HIS A 86 10.414 -4.646 11.189 1.00 0.62 O ATOM 1369 CB HIS A 86 8.843 -6.673 9.097 1.00 0.57 C ATOM 1370 CG HIS A 86 9.171 -7.539 10.277 1.00 0.63 C ATOM 1371 ND1 HIS A 86 10.392 -8.155 10.386 1.00 0.96 N ATOM 1372 CD2 HIS A 86 8.404 -7.884 11.337 1.00 0.74 C ATOM 1373 CE1 HIS A 86 10.342 -8.858 11.504 1.00 0.98 C ATOM 1374 NE2 HIS A 86 9.156 -8.730 12.115 1.00 0.79 N ATOM 0 H HIS A 86 8.536 -5.048 7.300 1.00 0.49 H new ATOM 0 HA HIS A 86 8.164 -4.870 10.060 1.00 0.54 H new ATOM 0 HB2 HIS A 86 7.831 -6.905 8.765 1.00 0.57 H new ATOM 0 HB3 HIS A 86 9.514 -6.931 8.278 1.00 0.57 H new ATOM 0 HD2 HIS A 86 7.394 -7.557 11.534 1.00 0.74 H new ATOM 0 HE1 HIS A 86 11.156 -9.461 11.879 1.00 0.98 H new ATOM 0 HE2 HIS A 86 8.868 -9.174 12.987 1.00 0.79 H new ATOM 1382 N SER A 87 11.307 -4.651 9.121 1.00 0.57 N ATOM 1383 CA SER A 87 12.649 -4.281 9.560 1.00 0.65 C ATOM 1384 C SER A 87 12.669 -2.860 10.128 1.00 0.67 C ATOM 1385 O SER A 87 13.529 -2.518 10.938 1.00 0.75 O ATOM 1386 CB SER A 87 13.637 -4.402 8.396 1.00 0.68 C ATOM 1387 OG SER A 87 13.622 -5.714 7.849 1.00 1.36 O ATOM 0 H SER A 87 11.219 -4.780 8.113 1.00 0.57 H new ATOM 0 HA SER A 87 12.949 -4.966 10.353 1.00 0.65 H new ATOM 0 HB2 SER A 87 13.382 -3.678 7.622 1.00 0.68 H new ATOM 0 HB3 SER A 87 14.642 -4.159 8.741 1.00 0.68 H new ATOM 0 HG SER A 87 12.840 -5.817 7.267 1.00 1.36 H new ATOM 1393 N ARG A 88 11.707 -2.041 9.707 1.00 0.61 N ATOM 1394 CA ARG A 88 11.593 -0.662 10.183 1.00 0.67 C ATOM 1395 C ARG A 88 10.846 -0.607 11.509 1.00 0.64 C ATOM 1396 O ARG A 88 10.267 0.423 11.860 1.00 0.70 O ATOM 1397 CB ARG A 88 10.873 0.204 9.145 1.00 0.74 C ATOM 1398 CG ARG A 88 11.518 0.176 7.768 1.00 0.92 C ATOM 1399 CD ARG A 88 12.982 0.588 7.817 1.00 0.97 C ATOM 1400 NE ARG A 88 13.165 1.907 8.420 1.00 1.13 N ATOM 1401 CZ ARG A 88 14.206 2.703 8.177 1.00 1.42 C ATOM 1402 NH1 ARG A 88 15.172 2.314 7.352 1.00 1.76 N ATOM 1403 NH2 ARG A 88 14.282 3.882 8.778 1.00 2.11 N ATOM 0 H ARG A 88 10.990 -2.310 9.033 1.00 0.61 H new ATOM 0 HA ARG A 88 12.600 -0.273 10.334 1.00 0.67 H new ATOM 0 HB2 ARG A 88 9.840 -0.132 9.059 1.00 0.74 H new ATOM 0 HB3 ARG A 88 10.844 1.234 9.502 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.437 -0.827 7.350 1.00 0.92 H new ATOM 0 HG3 ARG A 88 10.975 0.844 7.100 1.00 0.92 H new ATOM 0 HD2 ARG A 88 13.547 -0.151 8.386 1.00 0.97 H new ATOM 0 HD3 ARG A 88 13.390 0.593 6.806 1.00 0.97 H new ATOM 0 HE ARG A 88 12.451 2.239 9.068 1.00 1.13 H new ATOM 0 HH11 ARG A 88 15.120 1.401 6.900 1.00 1.76 H new ATOM 0 HH12 ARG A 88 15.966 2.928 7.171 1.00 1.76 H new ATOM 0 HH21 ARG A 88 13.547 4.175 9.422 1.00 2.11 H new ATOM 0 HH22 ARG A 88 15.076 4.497 8.597 1.00 2.11 H new ATOM 1417 N ASN A 89 10.885 -1.722 12.241 1.00 0.61 N ATOM 1418 CA ASN A 89 10.163 -1.866 13.504 1.00 0.63 C ATOM 1419 C ASN A 89 8.680 -1.673 13.261 1.00 0.66 C ATOM 1420 O ASN A 89 7.942 -1.221 14.138 1.00 0.83 O ATOM 1421 CB ASN A 89 10.656 -0.862 14.555 1.00 0.70 C ATOM 1422 CG ASN A 89 12.153 -0.931 14.783 1.00 1.30 C ATOM 1423 OD1 ASN A 89 12.638 -1.735 15.580 1.00 2.07 O ATOM 1424 ND2 ASN A 89 12.893 -0.077 14.094 1.00 1.91 N ATOM 0 H ASN A 89 11.418 -2.550 11.974 1.00 0.61 H new ATOM 0 HA ASN A 89 10.349 -2.868 13.891 1.00 0.63 H new ATOM 0 HB2 ASN A 89 10.388 0.146 14.240 1.00 0.70 H new ATOM 0 HB3 ASN A 89 10.141 -1.049 15.498 1.00 0.70 H new ATOM 0 HD21 ASN A 89 13.906 -0.068 14.213 1.00 1.91 H new ATOM 0 HD22 ASN A 89 12.450 0.572 13.444 1.00 1.91 H new ATOM 1431 N TYR A 90 8.250 -2.032 12.061 1.00 0.56 N ATOM 1432 CA TYR A 90 6.902 -1.753 11.621 1.00 0.64 C ATOM 1433 C TYR A 90 6.247 -3.014 11.068 1.00 0.59 C ATOM 1434 O TYR A 90 6.223 -3.233 9.857 1.00 0.57 O ATOM 1435 CB TYR A 90 6.931 -0.661 10.551 1.00 0.76 C ATOM 1436 CG TYR A 90 5.713 0.215 10.564 1.00 1.02 C ATOM 1437 CD1 TYR A 90 4.584 -0.115 9.833 1.00 1.04 C ATOM 1438 CD2 TYR A 90 5.694 1.367 11.328 1.00 1.67 C ATOM 1439 CE1 TYR A 90 3.460 0.685 9.864 1.00 1.39 C ATOM 1440 CE2 TYR A 90 4.576 2.177 11.365 1.00 2.09 C ATOM 1441 CZ TYR A 90 3.458 1.829 10.631 1.00 1.94 C ATOM 1442 OH TYR A 90 2.334 2.626 10.666 1.00 2.32 O ATOM 0 H TYR A 90 8.824 -2.521 11.374 1.00 0.56 H new ATOM 0 HA TYR A 90 6.315 -1.409 12.473 1.00 0.64 H new ATOM 0 HB2 TYR A 90 7.817 -0.042 10.697 1.00 0.76 H new ATOM 0 HB3 TYR A 90 7.025 -1.126 9.570 1.00 0.76 H new ATOM 0 HD1 TYR A 90 4.583 -1.011 9.230 1.00 1.04 H new ATOM 0 HD2 TYR A 90 6.566 1.638 11.904 1.00 1.67 H new ATOM 0 HE1 TYR A 90 2.586 0.415 9.290 1.00 1.39 H new ATOM 0 HE2 TYR A 90 4.575 3.076 11.963 1.00 2.09 H new ATOM 0 HH TYR A 90 2.495 3.393 11.254 1.00 2.32 H new ATOM 1452 N PRO A 91 5.717 -3.871 11.948 1.00 0.61 N ATOM 1453 CA PRO A 91 5.024 -5.083 11.527 1.00 0.62 C ATOM 1454 C PRO A 91 3.669 -4.765 10.907 1.00 0.65 C ATOM 1455 O PRO A 91 2.767 -4.260 11.579 1.00 0.86 O ATOM 1456 CB PRO A 91 4.865 -5.874 12.827 1.00 0.68 C ATOM 1457 CG PRO A 91 4.869 -4.843 13.904 1.00 0.72 C ATOM 1458 CD PRO A 91 5.749 -3.724 13.415 1.00 0.69 C ATOM 0 HA PRO A 91 5.568 -5.632 10.759 1.00 0.62 H new ATOM 0 HB2 PRO A 91 3.937 -6.446 12.831 1.00 0.68 H new ATOM 0 HB3 PRO A 91 5.679 -6.586 12.959 1.00 0.68 H new ATOM 0 HG2 PRO A 91 3.859 -4.485 14.103 1.00 0.72 H new ATOM 0 HG3 PRO A 91 5.250 -5.257 14.837 1.00 0.72 H new ATOM 0 HD2 PRO A 91 5.371 -2.751 13.728 1.00 0.69 H new ATOM 0 HD3 PRO A 91 6.763 -3.812 13.804 1.00 0.69 H new ATOM 1466 N LEU A 92 3.548 -5.031 9.612 1.00 0.53 N ATOM 1467 CA LEU A 92 2.305 -4.791 8.894 1.00 0.55 C ATOM 1468 C LEU A 92 1.167 -5.576 9.525 1.00 0.56 C ATOM 1469 O LEU A 92 1.318 -6.748 9.877 1.00 0.59 O ATOM 1470 CB LEU A 92 2.451 -5.177 7.421 1.00 0.59 C ATOM 1471 CG LEU A 92 3.477 -4.359 6.632 1.00 0.57 C ATOM 1472 CD1 LEU A 92 3.525 -4.818 5.185 1.00 0.65 C ATOM 1473 CD2 LEU A 92 3.153 -2.873 6.709 1.00 0.62 C ATOM 0 H LEU A 92 4.299 -5.414 9.037 1.00 0.53 H new ATOM 0 HA LEU A 92 2.076 -3.727 8.956 1.00 0.55 H new ATOM 0 HB2 LEU A 92 2.727 -6.230 7.363 1.00 0.59 H new ATOM 0 HB3 LEU A 92 1.480 -5.076 6.937 1.00 0.59 H new ATOM 0 HG LEU A 92 4.459 -4.520 7.078 1.00 0.57 H new ATOM 0 HD11 LEU A 92 4.260 -4.226 4.640 1.00 0.65 H new ATOM 0 HD12 LEU A 92 3.807 -5.870 5.146 1.00 0.65 H new ATOM 0 HD13 LEU A 92 2.543 -4.688 4.729 1.00 0.65 H new ATOM 0 HD21 LEU A 92 3.894 -2.309 6.142 1.00 0.62 H new ATOM 0 HD22 LEU A 92 2.163 -2.694 6.290 1.00 0.62 H new ATOM 0 HD23 LEU A 92 3.170 -2.550 7.750 1.00 0.62 H new ATOM 1485 N LYS A 93 0.031 -4.912 9.663 1.00 0.63 N ATOM 1486 CA LYS A 93 -1.134 -5.490 10.307 1.00 0.68 C ATOM 1487 C LYS A 93 -1.807 -6.464 9.360 1.00 0.61 C ATOM 1488 O LYS A 93 -2.381 -7.469 9.783 1.00 0.68 O ATOM 1489 CB LYS A 93 -2.110 -4.377 10.691 1.00 0.83 C ATOM 1490 CG LYS A 93 -1.479 -3.292 11.546 1.00 0.91 C ATOM 1491 CD LYS A 93 -2.279 -1.997 11.502 1.00 1.28 C ATOM 1492 CE LYS A 93 -3.653 -2.148 12.130 1.00 1.57 C ATOM 1493 NZ LYS A 93 -3.571 -2.566 13.553 1.00 2.22 N ATOM 0 H LYS A 93 -0.108 -3.957 9.331 1.00 0.63 H new ATOM 0 HA LYS A 93 -0.826 -6.023 11.207 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -2.512 -3.927 9.783 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -2.951 -4.812 11.231 1.00 0.83 H new ATOM 0 HG2 LYS A 93 -1.406 -3.639 12.577 1.00 0.91 H new ATOM 0 HG3 LYS A 93 -0.463 -3.103 11.201 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -1.728 -1.214 12.023 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -2.388 -1.675 10.466 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -4.190 -1.202 12.060 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -4.229 -2.883 11.569 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -4.491 -2.414 14.013 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -3.320 -3.574 13.605 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -2.844 -2.003 14.039 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.726 -6.157 8.073 1.00 0.52 N ATOM 1508 CA PHE A 94 -2.348 -6.982 7.050 1.00 0.50 C ATOM 1509 C PHE A 94 -1.351 -7.292 5.931 1.00 0.44 C ATOM 1510 O PHE A 94 -1.483 -6.790 4.818 1.00 0.42 O ATOM 1511 CB PHE A 94 -3.575 -6.265 6.471 1.00 0.51 C ATOM 1512 CG PHE A 94 -4.393 -5.540 7.504 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -5.130 -6.238 8.446 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -4.410 -4.153 7.538 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -5.871 -5.569 9.401 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -5.149 -3.480 8.492 1.00 0.78 C ATOM 1517 CZ PHE A 94 -5.880 -4.188 9.424 1.00 0.81 C ATOM 0 H PHE A 94 -1.234 -5.340 7.713 1.00 0.52 H new ATOM 0 HA PHE A 94 -2.663 -7.920 7.507 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -3.245 -5.552 5.715 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -4.207 -6.995 5.966 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -5.125 -7.318 8.434 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -3.840 -3.594 6.811 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -6.443 -6.125 10.129 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -5.155 -2.400 8.508 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.458 -3.663 10.170 1.00 0.81 H new ATOM 1527 N PRO A 95 -0.339 -8.141 6.200 1.00 0.48 N ATOM 1528 CA PRO A 95 0.703 -8.477 5.217 1.00 0.51 C ATOM 1529 C PRO A 95 0.156 -9.259 4.021 1.00 0.47 C ATOM 1530 O PRO A 95 0.844 -9.439 3.014 1.00 0.51 O ATOM 1531 CB PRO A 95 1.690 -9.348 6.007 1.00 0.64 C ATOM 1532 CG PRO A 95 1.348 -9.139 7.444 1.00 0.65 C ATOM 1533 CD PRO A 95 -0.122 -8.838 7.477 1.00 0.59 C ATOM 0 HA PRO A 95 1.150 -7.578 4.793 1.00 0.51 H new ATOM 0 HB2 PRO A 95 1.595 -10.398 5.730 1.00 0.64 H new ATOM 0 HB3 PRO A 95 2.720 -9.057 5.803 1.00 0.64 H new ATOM 0 HG2 PRO A 95 1.578 -10.026 8.033 1.00 0.65 H new ATOM 0 HG3 PRO A 95 1.925 -8.317 7.867 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -0.720 -9.747 7.549 1.00 0.59 H new ATOM 0 HD3 PRO A 95 -0.388 -8.213 8.330 1.00 0.59 H new ATOM 1541 N GLN A 96 -1.088 -9.707 4.135 1.00 0.45 N ATOM 1542 CA GLN A 96 -1.723 -10.505 3.094 1.00 0.44 C ATOM 1543 C GLN A 96 -2.487 -9.602 2.118 1.00 0.39 C ATOM 1544 O GLN A 96 -3.355 -10.055 1.364 1.00 0.43 O ATOM 1545 CB GLN A 96 -2.656 -11.539 3.737 1.00 0.53 C ATOM 1546 CG GLN A 96 -3.195 -12.595 2.775 1.00 1.06 C ATOM 1547 CD GLN A 96 -2.100 -13.360 2.045 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -0.993 -13.532 2.555 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -2.411 -13.838 0.846 1.00 2.31 N ATOM 0 H GLN A 96 -1.681 -9.529 4.945 1.00 0.45 H new ATOM 0 HA GLN A 96 -0.957 -11.033 2.526 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -2.120 -12.041 4.543 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -3.498 -11.016 4.191 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -3.813 -13.301 3.330 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -3.842 -12.113 2.042 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -3.340 -13.674 0.457 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -1.721 -14.369 0.314 1.00 2.31 H new ATOM 1558 N LEU A 97 -2.173 -8.315 2.143 1.00 0.44 N ATOM 1559 CA LEU A 97 -2.787 -7.378 1.224 1.00 0.54 C ATOM 1560 C LEU A 97 -2.040 -7.368 -0.101 1.00 0.63 C ATOM 1561 O LEU A 97 -0.811 -7.472 -0.140 1.00 1.25 O ATOM 1562 CB LEU A 97 -2.863 -5.963 1.837 1.00 0.69 C ATOM 1563 CG LEU A 97 -1.532 -5.245 2.120 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -0.963 -4.610 0.862 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -1.726 -4.184 3.190 1.00 1.35 C ATOM 0 H LEU A 97 -1.500 -7.901 2.788 1.00 0.44 H new ATOM 0 HA LEU A 97 -3.810 -7.705 1.035 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -3.449 -5.335 1.165 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -3.416 -6.030 2.774 1.00 0.69 H new ATOM 0 HG LEU A 97 -0.821 -5.992 2.473 1.00 0.86 H new ATOM 0 HD11 LEU A 97 -0.023 -4.112 1.099 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -0.786 -5.382 0.113 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -1.672 -3.880 0.470 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -0.777 -3.683 3.382 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -2.460 -3.454 2.849 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -2.080 -4.653 4.108 1.00 1.35 H new ATOM 1577 N HIS A 98 -2.801 -7.303 -1.178 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.250 -7.063 -2.497 1.00 0.38 C ATOM 1579 C HIS A 98 -1.772 -5.626 -2.577 1.00 0.43 C ATOM 1580 O HIS A 98 -2.530 -4.696 -2.292 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.307 -7.346 -3.564 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.376 -8.783 -3.986 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -3.388 -9.800 -3.066 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -3.475 -9.313 -5.227 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -3.505 -10.916 -3.756 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.559 -10.675 -5.072 1.00 0.46 N ATOM 0 H HIS A 98 -3.815 -7.415 -1.162 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.406 -7.729 -2.675 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.282 -7.042 -3.184 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -3.099 -6.730 -4.439 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -3.486 -8.769 -6.160 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -3.552 -11.901 -3.316 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -3.646 -11.368 -5.815 1.00 0.46 H new ATOM 1594 N CYS A 99 -0.507 -5.465 -2.929 1.00 0.50 N ATOM 1595 CA CYS A 99 0.151 -4.167 -2.910 1.00 0.56 C ATOM 1596 C CYS A 99 -0.546 -3.155 -3.810 1.00 0.41 C ATOM 1597 O CYS A 99 -1.184 -3.511 -4.801 1.00 0.38 O ATOM 1598 CB CYS A 99 1.596 -4.317 -3.356 1.00 0.76 C ATOM 1599 SG CYS A 99 2.413 -5.804 -2.742 1.00 1.19 S ATOM 0 H CYS A 99 0.094 -6.230 -3.236 1.00 0.50 H new ATOM 0 HA CYS A 99 0.104 -3.795 -1.887 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.629 -4.322 -4.445 1.00 0.76 H new ATOM 0 HB3 CYS A 99 2.159 -3.444 -3.024 1.00 0.76 H new ATOM 0 HG CYS A 99 1.970 -6.841 -3.389 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.391 -1.891 -3.463 1.00 0.43 N ATOM 1606 CA LEU A 100 -0.988 -0.803 -4.209 1.00 0.39 C ATOM 1607 C LEU A 100 -0.015 -0.342 -5.278 1.00 0.28 C ATOM 1608 O LEU A 100 1.057 0.156 -4.952 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.286 0.356 -3.252 1.00 0.58 C ATOM 1610 CG LEU A 100 -2.217 1.434 -3.781 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -3.559 0.828 -4.104 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -2.369 2.553 -2.763 1.00 0.93 C ATOM 0 H LEU A 100 0.154 -1.591 -2.654 1.00 0.43 H new ATOM 0 HA LEU A 100 -1.914 -1.136 -4.678 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -1.719 -0.054 -2.340 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -0.341 0.824 -2.974 1.00 0.58 H new ATOM 0 HG LEU A 100 -1.790 1.859 -4.690 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -4.226 1.602 -4.483 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -3.436 0.053 -4.860 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -3.987 0.390 -3.202 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -3.039 3.316 -3.159 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -2.783 2.150 -1.839 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -1.394 2.996 -2.561 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.364 -0.504 -6.542 1.00 0.29 N ATOM 1625 CA ASN A 101 0.539 -0.084 -7.600 1.00 0.29 C ATOM 1626 C ASN A 101 0.342 1.390 -7.867 1.00 0.29 C ATOM 1627 O ASN A 101 -0.614 1.815 -8.532 1.00 0.37 O ATOM 1628 CB ASN A 101 0.352 -0.892 -8.884 1.00 0.34 C ATOM 1629 CG ASN A 101 1.530 -0.727 -9.829 1.00 0.46 C ATOM 1630 OD1 ASN A 101 2.664 -0.545 -9.393 1.00 1.34 O ATOM 1631 ND2 ASN A 101 1.276 -0.779 -11.127 1.00 0.83 N ATOM 0 H ASN A 101 -1.244 -0.913 -6.857 1.00 0.29 H new ATOM 0 HA ASN A 101 1.559 -0.268 -7.263 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.230 -1.946 -8.636 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.563 -0.574 -9.384 1.00 0.34 H new ATOM 0 HD21 ASN A 101 2.034 -0.666 -11.800 1.00 0.83 H new ATOM 0 HD22 ASN A 101 0.322 -0.932 -11.454 1.00 0.83 H new ATOM 1638 N VAL A 102 1.253 2.154 -7.315 1.00 0.28 N ATOM 1639 CA VAL A 102 1.182 3.590 -7.329 1.00 0.30 C ATOM 1640 C VAL A 102 2.354 4.159 -8.104 1.00 0.31 C ATOM 1641 O VAL A 102 3.029 3.454 -8.856 1.00 0.35 O ATOM 1642 CB VAL A 102 1.232 4.149 -5.892 1.00 0.32 C ATOM 1643 CG1 VAL A 102 0.139 3.535 -5.027 1.00 0.86 C ATOM 1644 CG2 VAL A 102 2.607 3.908 -5.280 1.00 0.91 C ATOM 0 H VAL A 102 2.076 1.787 -6.837 1.00 0.28 H new ATOM 0 HA VAL A 102 0.243 3.877 -7.801 1.00 0.30 H new ATOM 0 HB VAL A 102 1.055 5.224 -5.936 1.00 0.32 H new ATOM 0 HG11 VAL A 102 0.198 3.947 -4.020 1.00 0.86 H new ATOM 0 HG12 VAL A 102 -0.836 3.764 -5.456 1.00 0.86 H new ATOM 0 HG13 VAL A 102 0.272 2.454 -4.985 1.00 0.86 H new ATOM 0 HG21 VAL A 102 2.629 4.307 -4.266 1.00 0.91 H new ATOM 0 HG22 VAL A 102 2.811 2.838 -5.253 1.00 0.91 H new ATOM 0 HG23 VAL A 102 3.366 4.407 -5.883 1.00 0.91 H new ATOM 1654 N GLY A 103 2.600 5.432 -7.886 1.00 0.35 N ATOM 1655 CA GLY A 103 3.725 6.082 -8.494 1.00 0.41 C ATOM 1656 C GLY A 103 3.414 6.579 -9.886 1.00 0.48 C ATOM 1657 O GLY A 103 2.247 6.701 -10.270 1.00 0.65 O ATOM 0 H GLY A 103 2.031 6.033 -7.290 1.00 0.35 H new ATOM 0 HA2 GLY A 103 4.037 6.921 -7.872 1.00 0.41 H new ATOM 0 HA3 GLY A 103 4.564 5.387 -8.537 1.00 0.41 H new ATOM 1661 N SER A 104 4.455 6.870 -10.636 1.00 0.78 N ATOM 1662 CA SER A 104 4.304 7.328 -12.001 1.00 0.88 C ATOM 1663 C SER A 104 4.376 6.138 -12.955 1.00 1.00 C ATOM 1664 O SER A 104 4.559 5.005 -12.513 1.00 1.10 O ATOM 1665 CB SER A 104 5.400 8.346 -12.322 1.00 0.91 C ATOM 1666 OG SER A 104 5.511 9.312 -11.291 1.00 1.52 O ATOM 0 H SER A 104 5.422 6.797 -10.321 1.00 0.78 H new ATOM 0 HA SER A 104 3.334 7.809 -12.122 1.00 0.88 H new ATOM 0 HB2 SER A 104 6.353 7.832 -12.449 1.00 0.91 H new ATOM 0 HB3 SER A 104 5.177 8.841 -13.267 1.00 0.91 H new ATOM 0 HG SER A 104 6.219 9.951 -11.517 1.00 1.52 H new ATOM 1672 N SER A 105 4.242 6.381 -14.248 1.00 1.06 N ATOM 1673 CA SER A 105 4.328 5.303 -15.223 1.00 1.19 C ATOM 1674 C SER A 105 5.712 4.653 -15.174 1.00 1.14 C ATOM 1675 O SER A 105 5.846 3.436 -15.305 1.00 1.20 O ATOM 1676 CB SER A 105 4.022 5.833 -16.628 1.00 1.36 C ATOM 1677 OG SER A 105 2.716 6.389 -16.689 1.00 1.77 O ATOM 0 H SER A 105 4.075 7.305 -14.646 1.00 1.06 H new ATOM 0 HA SER A 105 3.586 4.544 -14.976 1.00 1.19 H new ATOM 0 HB2 SER A 105 4.757 6.590 -16.903 1.00 1.36 H new ATOM 0 HB3 SER A 105 4.111 5.024 -17.353 1.00 1.36 H new ATOM 0 HG SER A 105 2.544 6.722 -17.595 1.00 1.77 H new ATOM 1683 N ILE A 106 6.740 5.470 -14.950 1.00 1.10 N ATOM 1684 CA ILE A 106 8.101 4.961 -14.865 1.00 1.09 C ATOM 1685 C ILE A 106 8.395 4.391 -13.473 1.00 0.89 C ATOM 1686 O ILE A 106 9.006 3.331 -13.351 1.00 0.95 O ATOM 1687 CB ILE A 106 9.174 6.022 -15.243 1.00 1.18 C ATOM 1688 CG1 ILE A 106 9.125 7.259 -14.330 1.00 1.25 C ATOM 1689 CG2 ILE A 106 9.023 6.429 -16.702 1.00 1.67 C ATOM 1690 CD1 ILE A 106 7.973 8.207 -14.597 1.00 1.60 C ATOM 0 H ILE A 106 6.654 6.479 -14.825 1.00 1.10 H new ATOM 0 HA ILE A 106 8.166 4.160 -15.602 1.00 1.09 H new ATOM 0 HB ILE A 106 10.150 5.559 -15.098 1.00 1.18 H new ATOM 0 HG12 ILE A 106 9.068 6.925 -13.294 1.00 1.25 H new ATOM 0 HG13 ILE A 106 10.060 7.808 -14.437 1.00 1.25 H new ATOM 0 HG21 ILE A 106 9.780 7.172 -16.953 1.00 1.67 H new ATOM 0 HG22 ILE A 106 9.149 5.553 -17.339 1.00 1.67 H new ATOM 0 HG23 ILE A 106 8.032 6.854 -16.861 1.00 1.67 H new ATOM 0 HD11 ILE A 106 8.025 9.047 -13.904 1.00 1.60 H new ATOM 0 HD12 ILE A 106 8.036 8.577 -15.620 1.00 1.60 H new ATOM 0 HD13 ILE A 106 7.029 7.680 -14.459 1.00 1.60 H new ATOM 1702 N LYS A 107 7.964 5.085 -12.422 1.00 0.77 N ATOM 1703 CA LYS A 107 8.128 4.599 -11.082 1.00 0.65 C ATOM 1704 C LYS A 107 6.938 3.744 -10.669 1.00 0.58 C ATOM 1705 O LYS A 107 5.998 4.238 -10.047 1.00 0.59 O ATOM 1706 CB LYS A 107 8.262 5.788 -10.153 1.00 0.80 C ATOM 1707 CG LYS A 107 8.716 5.404 -8.776 1.00 0.52 C ATOM 1708 CD LYS A 107 9.112 6.619 -7.989 1.00 1.41 C ATOM 1709 CE LYS A 107 10.002 6.211 -6.853 1.00 1.58 C ATOM 1710 NZ LYS A 107 11.364 5.846 -7.323 1.00 2.62 N ATOM 0 H LYS A 107 7.498 5.990 -12.489 1.00 0.77 H new ATOM 0 HA LYS A 107 9.022 3.977 -11.027 1.00 0.65 H new ATOM 0 HB2 LYS A 107 8.971 6.498 -10.579 1.00 0.80 H new ATOM 0 HB3 LYS A 107 7.302 6.299 -10.084 1.00 0.80 H new ATOM 0 HG2 LYS A 107 7.916 4.874 -8.259 1.00 0.52 H new ATOM 0 HG3 LYS A 107 9.560 4.718 -8.844 1.00 0.52 H new ATOM 0 HD2 LYS A 107 9.630 7.330 -8.633 1.00 1.41 H new ATOM 0 HD3 LYS A 107 8.224 7.123 -7.607 1.00 1.41 H new ATOM 0 HE2 LYS A 107 10.072 7.028 -6.135 1.00 1.58 H new ATOM 0 HE3 LYS A 107 9.559 5.364 -6.330 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 11.587 4.876 -7.022 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 11.400 5.903 -8.361 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 12.059 6.503 -6.916 1.00 2.62 H new ATOM 1724 N SER A 108 6.983 2.470 -11.010 1.00 0.56 N ATOM 1725 CA SER A 108 5.930 1.552 -10.627 1.00 0.54 C ATOM 1726 C SER A 108 6.245 0.972 -9.257 1.00 0.48 C ATOM 1727 O SER A 108 7.048 0.049 -9.124 1.00 0.55 O ATOM 1728 CB SER A 108 5.793 0.449 -11.671 1.00 0.63 C ATOM 1729 OG SER A 108 5.626 1.006 -12.968 1.00 1.12 O ATOM 0 H SER A 108 7.738 2.048 -11.551 1.00 0.56 H new ATOM 0 HA SER A 108 4.979 2.082 -10.573 1.00 0.54 H new ATOM 0 HB2 SER A 108 6.678 -0.187 -11.654 1.00 0.63 H new ATOM 0 HB3 SER A 108 4.940 -0.185 -11.429 1.00 0.63 H new ATOM 0 HG SER A 108 5.541 0.284 -13.626 1.00 1.12 H new ATOM 1735 N ILE A 109 5.629 1.543 -8.240 1.00 0.39 N ATOM 1736 CA ILE A 109 5.925 1.183 -6.866 1.00 0.36 C ATOM 1737 C ILE A 109 4.708 0.589 -6.176 1.00 0.32 C ATOM 1738 O ILE A 109 3.579 0.995 -6.422 1.00 0.38 O ATOM 1739 CB ILE A 109 6.437 2.395 -6.072 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.722 3.669 -6.517 1.00 0.32 C ATOM 1741 CG2 ILE A 109 7.945 2.536 -6.234 1.00 0.54 C ATOM 1742 CD1 ILE A 109 6.152 4.889 -5.748 1.00 0.39 C ATOM 0 H ILE A 109 4.915 2.264 -8.341 1.00 0.39 H new ATOM 0 HA ILE A 109 6.710 0.428 -6.894 1.00 0.36 H new ATOM 0 HB ILE A 109 6.219 2.236 -5.016 1.00 0.37 H new ATOM 0 HG12 ILE A 109 5.910 3.832 -7.578 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.647 3.534 -6.400 1.00 0.32 H new ATOM 0 HG21 ILE A 109 8.293 3.399 -5.666 1.00 0.54 H new ATOM 0 HG22 ILE A 109 8.436 1.636 -5.864 1.00 0.54 H new ATOM 0 HG23 ILE A 109 8.186 2.674 -7.288 1.00 0.54 H new ATOM 0 HD11 ILE A 109 5.607 5.760 -6.113 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.939 4.745 -4.689 1.00 0.39 H new ATOM 0 HD13 ILE A 109 7.222 5.047 -5.885 1.00 0.39 H new ATOM 1754 N LEU A 110 4.957 -0.373 -5.314 1.00 0.33 N ATOM 1755 CA LEU A 110 3.907 -1.108 -4.636 1.00 0.34 C ATOM 1756 C LEU A 110 3.833 -0.662 -3.180 1.00 0.35 C ATOM 1757 O LEU A 110 4.777 -0.863 -2.419 1.00 0.41 O ATOM 1758 CB LEU A 110 4.204 -2.614 -4.689 1.00 0.43 C ATOM 1759 CG LEU A 110 4.140 -3.286 -6.068 1.00 0.47 C ATOM 1760 CD1 LEU A 110 5.273 -2.818 -6.973 1.00 1.01 C ATOM 1761 CD2 LEU A 110 4.191 -4.794 -5.903 1.00 1.08 C ATOM 0 H LEU A 110 5.899 -0.670 -5.061 1.00 0.33 H new ATOM 0 HA LEU A 110 2.957 -0.910 -5.131 1.00 0.34 H new ATOM 0 HB2 LEU A 110 5.200 -2.778 -4.277 1.00 0.43 H new ATOM 0 HB3 LEU A 110 3.499 -3.122 -4.031 1.00 0.43 H new ATOM 0 HG LEU A 110 3.201 -3.001 -6.542 1.00 0.47 H new ATOM 0 HD11 LEU A 110 5.195 -3.315 -7.940 1.00 1.01 H new ATOM 0 HD12 LEU A 110 5.205 -1.739 -7.113 1.00 1.01 H new ATOM 0 HD13 LEU A 110 6.231 -3.065 -6.514 1.00 1.01 H new ATOM 0 HD21 LEU A 110 4.145 -5.269 -6.883 1.00 1.08 H new ATOM 0 HD22 LEU A 110 5.120 -5.074 -5.407 1.00 1.08 H new ATOM 0 HD23 LEU A 110 3.344 -5.123 -5.301 1.00 1.08 H new ATOM 1773 N LEU A 111 2.719 -0.070 -2.785 1.00 0.31 N ATOM 1774 CA LEU A 111 2.593 0.471 -1.437 1.00 0.34 C ATOM 1775 C LEU A 111 1.620 -0.355 -0.612 1.00 0.36 C ATOM 1776 O LEU A 111 0.636 -0.872 -1.134 1.00 0.46 O ATOM 1777 CB LEU A 111 2.111 1.928 -1.464 1.00 0.34 C ATOM 1778 CG LEU A 111 2.949 2.895 -2.307 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.672 4.336 -1.915 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.424 2.585 -2.185 1.00 0.43 C ATOM 0 H LEU A 111 1.893 0.049 -3.371 1.00 0.31 H new ATOM 0 HA LEU A 111 3.583 0.431 -0.982 1.00 0.34 H new ATOM 0 HB2 LEU A 111 1.087 1.945 -1.837 1.00 0.34 H new ATOM 0 HB3 LEU A 111 2.083 2.300 -0.440 1.00 0.34 H new ATOM 0 HG LEU A 111 2.660 2.763 -3.350 1.00 0.32 H new ATOM 0 HD11 LEU A 111 3.279 5.003 -2.528 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.617 4.559 -2.072 1.00 0.38 H new ATOM 0 HD13 LEU A 111 2.921 4.482 -0.864 1.00 0.38 H new ATOM 0 HD21 LEU A 111 4.995 3.287 -2.793 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.730 2.676 -1.143 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.612 1.569 -2.531 1.00 0.43 H new ATOM 1792 N PRO A 112 1.897 -0.518 0.682 1.00 0.30 N ATOM 1793 CA PRO A 112 0.943 -1.112 1.613 1.00 0.29 C ATOM 1794 C PRO A 112 -0.306 -0.245 1.743 1.00 0.27 C ATOM 1795 O PRO A 112 -0.256 0.852 2.306 1.00 0.30 O ATOM 1796 CB PRO A 112 1.704 -1.167 2.945 1.00 0.33 C ATOM 1797 CG PRO A 112 3.141 -1.002 2.585 1.00 0.53 C ATOM 1798 CD PRO A 112 3.164 -0.168 1.337 1.00 0.33 C ATOM 0 HA PRO A 112 0.598 -2.092 1.284 1.00 0.29 H new ATOM 0 HB2 PRO A 112 1.374 -0.376 3.619 1.00 0.33 H new ATOM 0 HB3 PRO A 112 1.533 -2.114 3.457 1.00 0.33 H new ATOM 0 HG2 PRO A 112 3.691 -0.514 3.390 1.00 0.53 H new ATOM 0 HG3 PRO A 112 3.614 -1.969 2.416 1.00 0.53 H new ATOM 0 HD2 PRO A 112 3.220 0.897 1.564 1.00 0.33 H new ATOM 0 HD3 PRO A 112 4.022 -0.406 0.709 1.00 0.33 H new ATOM 1806 N ILE A 113 -1.421 -0.744 1.211 1.00 0.27 N ATOM 1807 CA ILE A 113 -2.699 -0.029 1.245 1.00 0.27 C ATOM 1808 C ILE A 113 -3.102 0.308 2.690 1.00 0.29 C ATOM 1809 O ILE A 113 -3.885 1.226 2.941 1.00 0.31 O ATOM 1810 CB ILE A 113 -3.808 -0.851 0.535 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.106 -0.055 0.434 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.053 -2.169 1.256 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -6.226 -0.805 -0.256 1.00 0.45 C ATOM 0 H ILE A 113 -1.466 -1.651 0.746 1.00 0.27 H new ATOM 0 HA ILE A 113 -2.577 0.910 0.705 1.00 0.27 H new ATOM 0 HB ILE A 113 -3.461 -1.067 -0.475 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.430 0.223 1.437 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -4.913 0.871 -0.107 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -4.834 -2.727 0.739 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.134 -2.755 1.265 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.366 -1.970 2.281 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.117 -0.177 -0.291 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -5.922 -1.060 -1.271 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -6.447 -1.718 0.297 1.00 0.45 H new ATOM 1825 N GLU A 114 -2.542 -0.448 3.632 1.00 0.32 N ATOM 1826 CA GLU A 114 -2.722 -0.207 5.063 1.00 0.39 C ATOM 1827 C GLU A 114 -2.335 1.227 5.442 1.00 0.38 C ATOM 1828 O GLU A 114 -2.971 1.849 6.291 1.00 0.46 O ATOM 1829 CB GLU A 114 -1.852 -1.195 5.850 1.00 0.47 C ATOM 1830 CG GLU A 114 -1.969 -1.069 7.360 1.00 0.73 C ATOM 1831 CD GLU A 114 -0.926 -1.891 8.092 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -0.891 -3.125 7.896 1.00 1.86 O ATOM 1833 OE2 GLU A 114 -0.133 -1.305 8.857 1.00 2.32 O ATOM 0 H GLU A 114 -1.947 -1.250 3.423 1.00 0.32 H new ATOM 0 HA GLU A 114 -3.775 -0.348 5.307 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -2.123 -2.210 5.560 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -0.810 -1.050 5.565 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -1.866 -0.021 7.643 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -2.963 -1.388 7.672 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.298 1.747 4.794 1.00 0.32 N ATOM 1841 CA LEU A 115 -0.750 3.054 5.144 1.00 0.33 C ATOM 1842 C LEU A 115 -1.286 4.142 4.216 1.00 0.32 C ATOM 1843 O LEU A 115 -0.742 5.248 4.153 1.00 0.33 O ATOM 1844 CB LEU A 115 0.778 3.014 5.063 1.00 0.41 C ATOM 1845 CG LEU A 115 1.442 1.952 5.940 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.935 1.892 5.669 1.00 0.62 C ATOM 1847 CD2 LEU A 115 1.182 2.237 7.409 1.00 0.58 C ATOM 0 H LEU A 115 -0.819 1.283 4.022 1.00 0.32 H new ATOM 0 HA LEU A 115 -1.058 3.290 6.163 1.00 0.33 H new ATOM 0 HB2 LEU A 115 1.068 2.841 4.027 1.00 0.41 H new ATOM 0 HB3 LEU A 115 1.168 3.992 5.344 1.00 0.41 H new ATOM 0 HG LEU A 115 1.008 0.983 5.693 1.00 0.51 H new ATOM 0 HD11 LEU A 115 3.389 1.130 6.303 1.00 0.62 H new ATOM 0 HD12 LEU A 115 3.105 1.641 4.622 1.00 0.62 H new ATOM 0 HD13 LEU A 115 3.384 2.861 5.888 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.662 1.471 8.019 1.00 0.58 H new ATOM 0 HD22 LEU A 115 1.589 3.215 7.668 1.00 0.58 H new ATOM 0 HD23 LEU A 115 0.108 2.230 7.597 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.352 3.826 3.499 1.00 0.37 N ATOM 1860 CA CYS A 116 -2.923 4.753 2.537 1.00 0.39 C ATOM 1861 C CYS A 116 -4.230 5.340 3.056 1.00 0.34 C ATOM 1862 O CYS A 116 -5.143 4.608 3.445 1.00 0.38 O ATOM 1863 CB CYS A 116 -3.152 4.043 1.203 1.00 0.48 C ATOM 1864 SG CYS A 116 -1.673 3.249 0.535 1.00 0.86 S ATOM 0 H CYS A 116 -2.840 2.933 3.566 1.00 0.37 H new ATOM 0 HA CYS A 116 -2.221 5.573 2.388 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -3.930 3.291 1.332 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -3.524 4.766 0.477 1.00 0.48 H new ATOM 0 HG CYS A 116 -1.233 2.368 1.383 1.00 0.86 H new ATOM 1870 N SER A 117 -4.306 6.661 3.084 1.00 0.32 N ATOM 1871 CA SER A 117 -5.516 7.347 3.496 1.00 0.29 C ATOM 1872 C SER A 117 -6.211 7.968 2.291 1.00 0.24 C ATOM 1873 O SER A 117 -5.690 8.891 1.663 1.00 0.29 O ATOM 1874 CB SER A 117 -5.182 8.422 4.530 1.00 0.35 C ATOM 1875 OG SER A 117 -4.465 7.872 5.624 1.00 0.97 O ATOM 0 H SER A 117 -3.539 7.281 2.824 1.00 0.32 H new ATOM 0 HA SER A 117 -6.193 6.623 3.948 1.00 0.29 H new ATOM 0 HB2 SER A 117 -4.591 9.210 4.063 1.00 0.35 H new ATOM 0 HB3 SER A 117 -6.102 8.884 4.889 1.00 0.35 H new ATOM 0 HG SER A 117 -4.262 8.580 6.271 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.377 7.442 1.963 1.00 0.19 N ATOM 1882 CA ILE A 118 -8.171 7.961 0.869 1.00 0.21 C ATOM 1883 C ILE A 118 -9.161 8.992 1.406 1.00 0.32 C ATOM 1884 O ILE A 118 -10.068 8.671 2.175 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.906 6.824 0.103 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.731 7.401 -1.048 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.786 5.996 1.031 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -10.378 6.350 -1.927 1.00 0.35 C ATOM 0 H ILE A 118 -7.797 6.647 2.446 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.505 8.443 0.154 1.00 0.21 H new ATOM 0 HB ILE A 118 -8.147 6.159 -0.308 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.508 8.046 -0.637 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -9.088 8.030 -1.664 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.282 5.212 0.459 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -9.170 5.543 1.808 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.536 6.639 1.491 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -10.945 6.838 -2.720 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -9.606 5.719 -2.368 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -11.049 5.736 -1.326 1.00 0.35 H new ATOM 1900 N GLU A 119 -8.962 10.242 1.033 1.00 0.45 N ATOM 1901 CA GLU A 119 -9.801 11.309 1.548 1.00 0.61 C ATOM 1902 C GLU A 119 -11.056 11.440 0.699 1.00 0.83 C ATOM 1903 O GLU A 119 -10.974 11.633 -0.515 1.00 0.96 O ATOM 1904 CB GLU A 119 -9.038 12.632 1.567 1.00 0.82 C ATOM 1905 CG GLU A 119 -7.750 12.577 2.364 1.00 1.47 C ATOM 1906 CD GLU A 119 -7.000 13.892 2.352 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -6.560 14.317 1.268 1.00 1.66 O ATOM 1908 OE2 GLU A 119 -6.829 14.498 3.430 1.00 2.44 O ATOM 0 H GLU A 119 -8.236 10.542 0.383 1.00 0.45 H new ATOM 0 HA GLU A 119 -10.087 11.062 2.570 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -8.809 12.925 0.542 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -9.681 13.407 1.984 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -7.976 12.302 3.394 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -7.109 11.794 1.958 1.00 1.47 H new ATOM 1915 N GLU A 120 -12.216 11.318 1.329 1.00 1.06 N ATOM 1916 CA GLU A 120 -13.472 11.404 0.600 1.00 1.32 C ATOM 1917 C GLU A 120 -13.931 12.855 0.445 1.00 1.65 C ATOM 1918 O GLU A 120 -14.803 13.156 -0.375 1.00 1.92 O ATOM 1919 CB GLU A 120 -14.561 10.571 1.282 1.00 1.73 C ATOM 1920 CG GLU A 120 -15.005 11.108 2.630 1.00 2.13 C ATOM 1921 CD GLU A 120 -16.192 10.349 3.181 1.00 2.61 C ATOM 1922 OE1 GLU A 120 -17.273 10.396 2.564 1.00 3.11 O ATOM 1923 OE2 GLU A 120 -16.044 9.696 4.237 1.00 2.72 O ATOM 0 H GLU A 120 -12.313 11.161 2.332 1.00 1.06 H new ATOM 0 HA GLU A 120 -13.298 10.997 -0.396 1.00 1.32 H new ATOM 0 HB2 GLU A 120 -15.427 10.517 0.622 1.00 1.73 H new ATOM 0 HB3 GLU A 120 -14.195 9.553 1.412 1.00 1.73 H new ATOM 0 HG2 GLU A 120 -14.176 11.046 3.335 1.00 2.13 H new ATOM 0 HG3 GLU A 120 -15.263 12.163 2.533 1.00 2.13 H new ATOM 1930 N GLY A 121 -13.342 13.751 1.228 1.00 1.79 N ATOM 1931 CA GLY A 121 -13.746 15.142 1.191 1.00 2.29 C ATOM 1932 C GLY A 121 -12.576 16.091 1.314 1.00 2.43 C ATOM 1933 O GLY A 121 -12.418 16.760 2.330 1.00 3.05 O ATOM 0 H GLY A 121 -12.593 13.539 1.887 1.00 1.79 H new ATOM 0 HA2 GLY A 121 -14.272 15.339 0.257 1.00 2.29 H new ATOM 0 HA3 GLY A 121 -14.451 15.333 2.000 1.00 2.29 H new ATOM 1937 N GLN A 122 -11.755 16.150 0.276 1.00 2.55 N ATOM 1938 CA GLN A 122 -10.597 17.036 0.266 1.00 3.50 C ATOM 1939 C GLN A 122 -11.038 18.477 0.070 1.00 4.00 C ATOM 1940 O GLN A 122 -10.421 19.410 0.591 1.00 4.71 O ATOM 1941 CB GLN A 122 -9.622 16.627 -0.839 1.00 4.26 C ATOM 1942 CG GLN A 122 -9.017 15.255 -0.626 1.00 4.41 C ATOM 1943 CD GLN A 122 -8.138 14.814 -1.777 1.00 5.12 C ATOM 1944 OE1 GLN A 122 -8.374 15.171 -2.930 1.00 5.26 O ATOM 1945 NE2 GLN A 122 -7.104 14.054 -1.466 1.00 5.89 N ATOM 0 H GLN A 122 -11.868 15.595 -0.572 1.00 2.55 H new ATOM 0 HA GLN A 122 -10.089 16.953 1.227 1.00 3.50 H new ATOM 0 HB2 GLN A 122 -10.142 16.643 -1.797 1.00 4.26 H new ATOM 0 HB3 GLN A 122 -8.821 17.364 -0.899 1.00 4.26 H new ATOM 0 HG2 GLN A 122 -8.429 15.261 0.292 1.00 4.41 H new ATOM 0 HG3 GLN A 122 -9.817 14.528 -0.487 1.00 4.41 H new ATOM 0 HE21 GLN A 122 -6.945 13.781 -0.496 1.00 5.89 H new ATOM 0 HE22 GLN A 122 -6.464 13.740 -2.196 1.00 5.89 H new ATOM 1954 N ALA A 123 -12.105 18.643 -0.690 1.00 4.01 N ATOM 1955 CA ALA A 123 -12.693 19.949 -0.935 1.00 4.97 C ATOM 1956 C ALA A 123 -14.108 19.782 -1.460 1.00 5.11 C ATOM 1957 O ALA A 123 -15.043 19.714 -0.636 1.00 5.43 O ATOM 1958 CB ALA A 123 -11.848 20.751 -1.916 1.00 5.74 C ATOM 1959 OXT ALA A 123 -14.279 19.689 -2.692 1.00 5.29 O ATOM 0 H ALA A 123 -12.590 17.876 -1.156 1.00 4.01 H new ATOM 0 HA ALA A 123 -12.725 20.501 0.005 1.00 4.97 H new ATOM 0 HB1 ALA A 123 -12.309 21.724 -2.083 1.00 5.74 H new ATOM 0 HB2 ALA A 123 -10.847 20.889 -1.506 1.00 5.74 H new ATOM 0 HB3 ALA A 123 -11.781 20.214 -2.862 1.00 5.74 H new TER 1965 ALA A 123 ATOM 1966 P A B 204 12.150 3.784 -4.588 1.00 0.94 P ATOM 1967 OP1 A B 204 13.467 3.233 -4.176 1.00 1.39 O ATOM 1968 OP2 A B 204 11.446 3.213 -5.763 1.00 1.43 O ATOM 1969 O5' A B 204 11.160 3.725 -3.341 1.00 0.74 O ATOM 1970 C5' A B 204 9.785 4.101 -3.447 1.00 0.54 C ATOM 1971 C4' A B 204 9.310 4.651 -2.124 1.00 0.57 C ATOM 1972 O4' A B 204 9.657 6.057 -2.051 1.00 0.80 O ATOM 1973 C3' A B 204 7.805 4.615 -1.895 1.00 0.71 C ATOM 1974 O3' A B 204 7.498 4.610 -0.502 1.00 0.83 O ATOM 1975 C2' A B 204 7.341 5.908 -2.558 1.00 0.92 C ATOM 1976 O2' A B 204 6.158 6.405 -1.966 1.00 1.25 O ATOM 1977 C1' A B 204 8.500 6.851 -2.231 1.00 0.96 C ATOM 1978 N9 A B 204 8.795 7.842 -3.268 1.00 1.03 N ATOM 1979 C8 A B 204 9.895 8.658 -3.330 1.00 1.20 C ATOM 1980 N7 A B 204 9.907 9.465 -4.359 1.00 1.33 N ATOM 1981 C5 A B 204 8.732 9.160 -5.030 1.00 1.23 C ATOM 1982 C6 A B 204 8.160 9.674 -6.206 1.00 1.33 C ATOM 1983 N6 A B 204 8.717 10.642 -6.935 1.00 1.54 N ATOM 1984 N1 A B 204 6.983 9.155 -6.610 1.00 1.27 N ATOM 1985 C2 A B 204 6.422 8.191 -5.871 1.00 1.14 C ATOM 1986 N3 A B 204 6.862 7.628 -4.745 1.00 1.03 N ATOM 1987 C4 A B 204 8.035 8.163 -4.370 1.00 1.06 C ATOM 0 H5' A B 204 9.182 3.239 -3.732 1.00 0.54 H new ATOM 0 H5'' A B 204 9.661 4.849 -4.230 1.00 0.54 H new ATOM 0 H4' A B 204 9.787 4.012 -1.381 1.00 0.57 H new ATOM 0 H3' A B 204 7.323 3.724 -2.297 1.00 0.71 H new ATOM 0 H2' A B 204 7.118 5.788 -3.618 1.00 0.92 H new ATOM 0 HO2' A B 204 5.925 7.265 -2.374 1.00 1.25 H new ATOM 0 H1' A B 204 8.208 7.411 -1.343 1.00 0.96 H new ATOM 0 H8 A B 204 10.684 8.636 -2.593 1.00 1.20 H new ATOM 0 H61 A B 204 8.254 10.974 -7.781 1.00 1.54 H new ATOM 0 H62 A B 204 9.606 11.050 -6.647 1.00 1.54 H new ATOM 0 H2 A B 204 5.479 7.815 -6.239 1.00 1.14 H new ATOM 1999 P C B 205 7.378 3.232 0.322 1.00 0.79 P ATOM 2000 OP1 C B 205 5.932 2.925 0.459 1.00 1.29 O ATOM 2001 OP2 C B 205 8.210 3.353 1.546 1.00 0.93 O ATOM 2002 O5' C B 205 8.043 2.129 -0.615 1.00 0.93 O ATOM 2003 C5' C B 205 7.318 0.991 -1.086 1.00 0.77 C ATOM 2004 C4' C B 205 7.477 0.876 -2.584 1.00 0.68 C ATOM 2005 O4' C B 205 8.683 1.589 -2.963 1.00 0.58 O ATOM 2006 C3' C B 205 7.671 -0.537 -3.127 1.00 0.90 C ATOM 2007 O3' C B 205 7.235 -0.657 -4.478 1.00 1.30 O ATOM 2008 C2' C B 205 9.175 -0.720 -3.035 1.00 0.66 C ATOM 2009 O2' C B 205 9.659 -1.669 -3.965 1.00 0.92 O ATOM 2010 C1' C B 205 9.648 0.675 -3.440 1.00 0.54 C ATOM 2011 N1 C B 205 10.958 1.002 -2.860 1.00 0.66 N ATOM 2012 C2 C B 205 12.116 0.653 -3.562 1.00 0.97 C ATOM 2013 O2 C B 205 12.006 0.108 -4.673 1.00 1.09 O ATOM 2014 N3 C B 205 13.325 0.911 -3.011 1.00 1.23 N ATOM 2015 C4 C B 205 13.401 1.493 -1.811 1.00 1.21 C ATOM 2016 N4 C B 205 14.616 1.732 -1.311 1.00 1.53 N ATOM 2017 C5 C B 205 12.236 1.858 -1.074 1.00 0.96 C ATOM 2018 C6 C B 205 11.047 1.595 -1.632 1.00 0.71 C ATOM 0 H5' C B 205 6.263 1.086 -0.828 1.00 0.77 H new ATOM 0 H5'' C B 205 7.685 0.087 -0.600 1.00 0.77 H new ATOM 0 H4' C B 205 6.546 1.268 -2.993 1.00 0.68 H new ATOM 0 H3' C B 205 7.095 -1.282 -2.578 1.00 0.90 H new ATOM 0 H2' C B 205 9.510 -1.079 -2.062 1.00 0.66 H new ATOM 0 HO2' C B 205 10.487 -1.337 -4.370 1.00 0.92 H new ATOM 0 HO3' C B 205 7.883 -1.189 -4.985 1.00 1.30 H new ATOM 0 H1' C B 205 9.758 0.722 -4.523 1.00 0.54 H new ATOM 0 H41 C B 205 14.713 2.175 -0.397 1.00 1.53 H new ATOM 0 H42 C B 205 15.447 1.472 -1.843 1.00 1.53 H new ATOM 0 H5 C B 205 12.309 2.328 -0.104 1.00 0.96 H new ATOM 0 H6 C B 205 10.143 1.856 -1.102 1.00 0.71 H new TER 2031 C B 205