USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 4 ASN : amide:sc= 1.01 K(o=2,f=0.85) USER MOD Set 1.2: A 21 TYR OH : rot 130:sc= 0.983 USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.0457 X(o=-0.097,f=-0.25) USER MOD Set 2.2: A 31 TYR OH : rot -73:sc= -0.0517 USER MOD Set 3.1: A 14 ASN : amide:sc= -0.302 X(o=-0.32,f=-0.048) USER MOD Set 3.2: A 18 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 1 SER N :NH3+ 161:sc= -0.655 (180deg=-1.31) USER MOD Single : A 1 SER OG : rot 180:sc= -1.41 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.0064) USER MOD Single : A 25 THR OG1 : rot 0:sc= -2.79! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -50:sc= 1.28 USER MOD Single : A 99 GLN : amide:sc= -0.0907 X(o=-0.091,f=-0.5) USER MOD Single : A 107 LYS NZ :NH3+ 146:sc= -0.299 (180deg=-1.07) USER MOD Single : A 108 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.5!) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 100:sc= 0.0502 USER MOD Single : A 117 SER OG : rot 180:sc= -1.08 USER MOD Single : A 118 MET CE :methyl -134:sc= -3.97! (180deg=-8.01!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.559 K(o=-0.56,f=-2.6!) USER MOD Single : A 137 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.1) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.174) USER MOD Single : A 148 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.8) USER MOD Single : A 149 THR OG1 : rot -44:sc= 0.267 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.514 14.039 -3.822 1.00 0.00 N ATOM 2 CA SER A 1 -3.343 12.575 -3.619 1.00 0.00 C ATOM 3 C SER A 1 -2.012 12.093 -4.184 1.00 0.00 C ATOM 4 O SER A 1 -1.936 11.647 -5.328 1.00 0.00 O ATOM 5 CB SER A 1 -4.503 11.850 -4.306 1.00 0.00 C ATOM 6 OG SER A 1 -4.598 10.507 -3.867 1.00 0.00 O ATOM 0 H1 SER A 1 -4.520 14.287 -3.734 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.966 14.555 -3.104 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.175 14.300 -4.770 1.00 0.00 H new ATOM 0 HA SER A 1 -3.344 12.358 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.437 12.371 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.361 11.873 -5.386 1.00 0.00 H new ATOM 0 HG SER A 1 -5.348 10.067 -4.320 1.00 0.00 H new ATOM 14 N ILE A 2 -0.962 12.188 -3.374 1.00 0.00 N ATOM 15 CA ILE A 2 0.369 11.763 -3.794 1.00 0.00 C ATOM 16 C ILE A 2 0.520 10.250 -3.692 1.00 0.00 C ATOM 17 O ILE A 2 1.207 9.628 -4.502 1.00 0.00 O ATOM 18 CB ILE A 2 1.467 12.436 -2.950 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.241 13.947 -2.891 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.842 12.123 -3.523 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.166 14.659 -1.929 1.00 0.00 C ATOM 0 H ILE A 2 -1.007 12.555 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 2 0.484 12.068 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 2 1.418 12.040 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.375 14.366 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.209 14.141 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.608 12.606 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.001 11.045 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.903 12.494 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.949 15.727 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.016 14.268 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.201 14.496 -2.231 1.00 0.00 H new ATOM 33 N LYS A 3 -0.124 9.662 -2.690 1.00 0.00 N ATOM 34 CA LYS A 3 -0.058 8.219 -2.485 1.00 0.00 C ATOM 35 C LYS A 3 -1.416 7.663 -2.071 1.00 0.00 C ATOM 36 O LYS A 3 -2.241 8.373 -1.495 1.00 0.00 O ATOM 37 CB LYS A 3 0.992 7.882 -1.424 1.00 0.00 C ATOM 38 CG LYS A 3 1.819 6.651 -1.757 1.00 0.00 C ATOM 39 CD LYS A 3 3.095 6.596 -0.931 1.00 0.00 C ATOM 40 CE LYS A 3 3.660 5.187 -0.873 1.00 0.00 C ATOM 41 NZ LYS A 3 4.445 4.851 -2.092 1.00 0.00 N ATOM 0 H LYS A 3 -0.696 10.160 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 3 0.228 7.756 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.659 8.735 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.493 7.727 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.227 5.754 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.071 6.657 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.837 7.269 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.891 6.949 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.296 5.087 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.844 4.473 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.813 3.881 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.832 4.921 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.239 5.516 -2.188 1.00 0.00 H new ATOM 55 N ASN A 4 -1.642 6.386 -2.369 1.00 0.00 N ATOM 56 CA ASN A 4 -2.900 5.733 -2.030 1.00 0.00 C ATOM 57 C ASN A 4 -2.746 4.215 -2.040 1.00 0.00 C ATOM 58 O ASN A 4 -2.328 3.632 -3.039 1.00 0.00 O ATOM 59 CB ASN A 4 -3.997 6.153 -3.011 1.00 0.00 C ATOM 60 CG ASN A 4 -3.596 5.929 -4.455 1.00 0.00 C ATOM 61 OD1 ASN A 4 -2.719 6.615 -4.981 1.00 0.00 O ATOM 62 ND2 ASN A 4 -4.239 4.966 -5.106 1.00 0.00 N ATOM 0 H ASN A 4 -0.969 5.784 -2.844 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.183 6.044 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.906 5.591 -2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.231 7.207 -2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.013 4.771 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.959 4.422 -4.631 1.00 0.00 H new ATOM 69 N GLY A 5 -3.088 3.584 -0.923 1.00 0.00 N ATOM 70 CA GLY A 5 -2.980 2.140 -0.825 1.00 0.00 C ATOM 71 C GLY A 5 -3.830 1.568 0.293 1.00 0.00 C ATOM 72 O GLY A 5 -4.540 2.303 0.979 1.00 0.00 O ATOM 0 H GLY A 5 -3.438 4.046 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.281 1.691 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.938 1.867 -0.660 1.00 0.00 H new ATOM 76 N ILE A 6 -3.756 0.254 0.477 1.00 0.00 N ATOM 77 CA ILE A 6 -4.523 -0.416 1.520 1.00 0.00 C ATOM 78 C ILE A 6 -3.739 -0.468 2.826 1.00 0.00 C ATOM 79 O ILE A 6 -2.969 -1.399 3.065 1.00 0.00 O ATOM 80 CB ILE A 6 -4.910 -1.850 1.100 1.00 0.00 C ATOM 81 CG1 ILE A 6 -5.720 -1.825 -0.198 1.00 0.00 C ATOM 82 CG2 ILE A 6 -5.703 -2.538 2.203 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.890 -1.504 -1.423 1.00 0.00 C ATOM 0 H ILE A 6 -3.173 -0.368 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.433 0.164 1.671 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.994 -2.416 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.198 -2.795 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.517 -1.087 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.966 -3.547 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.099 -2.587 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.613 -1.972 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.529 -1.504 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.433 -0.522 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.109 -2.256 -1.541 1.00 0.00 H new ATOM 95 N LEU A 7 -3.941 0.538 3.672 1.00 0.00 N ATOM 96 CA LEU A 7 -3.254 0.607 4.956 1.00 0.00 C ATOM 97 C LEU A 7 -4.126 0.029 6.067 1.00 0.00 C ATOM 98 O LEU A 7 -5.321 0.315 6.145 1.00 0.00 O ATOM 99 CB LEU A 7 -2.879 2.056 5.282 1.00 0.00 C ATOM 100 CG LEU A 7 -1.433 2.439 4.957 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.467 1.709 5.879 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.117 2.135 3.499 1.00 0.00 C ATOM 0 H LEU A 7 -4.575 1.316 3.491 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.343 0.013 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.547 2.720 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.056 2.231 6.343 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.315 3.511 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.556 1.994 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.679 1.977 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.585 0.633 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.085 2.413 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.252 1.070 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.787 2.704 2.855 1.00 0.00 H new ATOM 114 N TYR A 8 -3.520 -0.786 6.923 1.00 0.00 N ATOM 115 CA TYR A 8 -4.242 -1.409 8.029 1.00 0.00 C ATOM 116 C TYR A 8 -4.477 -0.410 9.159 1.00 0.00 C ATOM 117 O TYR A 8 -3.774 0.595 9.271 1.00 0.00 O ATOM 118 CB TYR A 8 -3.468 -2.619 8.553 1.00 0.00 C ATOM 119 CG TYR A 8 -3.466 -3.794 7.602 1.00 0.00 C ATOM 120 CD1 TYR A 8 -2.794 -3.729 6.388 1.00 0.00 C ATOM 121 CD2 TYR A 8 -4.139 -4.969 7.917 1.00 0.00 C ATOM 122 CE1 TYR A 8 -2.790 -4.800 5.516 1.00 0.00 C ATOM 123 CE2 TYR A 8 -4.139 -6.045 7.051 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.464 -5.955 5.852 1.00 0.00 C ATOM 125 OH TYR A 8 -3.465 -7.025 4.985 1.00 0.00 O ATOM 0 H TYR A 8 -2.531 -1.031 6.873 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.211 -1.741 7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.438 -2.322 8.753 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.900 -2.932 9.504 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.266 -2.826 6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.671 -5.042 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.262 -4.733 4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.665 -6.952 7.311 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.985 -7.760 5.373 1.00 0.00 H new ATOM 135 N LEU A 9 -5.471 -0.695 9.993 1.00 0.00 N ATOM 136 CA LEU A 9 -5.802 0.176 11.115 1.00 0.00 C ATOM 137 C LEU A 9 -6.643 -0.567 12.148 1.00 0.00 C ATOM 138 O LEU A 9 -7.661 -1.173 11.812 1.00 0.00 O ATOM 139 CB LEU A 9 -6.556 1.414 10.621 1.00 0.00 C ATOM 140 CG LEU A 9 -6.845 2.469 11.694 1.00 0.00 C ATOM 141 CD1 LEU A 9 -5.899 3.652 11.547 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.292 2.929 11.616 1.00 0.00 C ATOM 0 H LEU A 9 -6.062 -1.523 9.913 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.871 0.490 11.587 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.977 1.879 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.502 1.094 10.184 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.682 2.017 12.673 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.119 4.391 12.317 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.870 3.310 11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.030 4.103 10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.478 3.678 12.386 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.484 3.362 10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.954 2.077 11.772 1.00 0.00 H new ATOM 154 N GLU A 10 -6.212 -0.518 13.404 1.00 0.00 N ATOM 155 CA GLU A 10 -6.927 -1.190 14.483 1.00 0.00 C ATOM 156 C GLU A 10 -8.241 -0.480 14.793 1.00 0.00 C ATOM 157 O GLU A 10 -8.246 0.640 15.306 1.00 0.00 O ATOM 158 CB GLU A 10 -6.059 -1.251 15.742 1.00 0.00 C ATOM 159 CG GLU A 10 -5.313 -2.565 15.905 1.00 0.00 C ATOM 160 CD GLU A 10 -5.077 -2.924 17.358 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.750 -2.014 18.149 1.00 0.00 O ATOM 162 OE2 GLU A 10 -5.218 -4.114 17.707 1.00 0.00 O ATOM 0 H GLU A 10 -5.372 -0.021 13.700 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.151 -2.205 14.155 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.338 -0.434 15.715 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.690 -1.090 16.616 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.880 -3.363 15.425 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.354 -2.501 15.390 1.00 0.00 H new ATOM 169 N ASP A 11 -9.352 -1.138 14.484 1.00 0.00 N ATOM 170 CA ASP A 11 -10.671 -0.571 14.734 1.00 0.00 C ATOM 171 C ASP A 11 -11.101 -0.830 16.178 1.00 0.00 C ATOM 172 O ASP A 11 -11.073 -1.968 16.641 1.00 0.00 O ATOM 173 CB ASP A 11 -11.699 -1.166 13.767 1.00 0.00 C ATOM 174 CG ASP A 11 -12.531 -0.100 13.080 1.00 0.00 C ATOM 175 OD1 ASP A 11 -13.239 0.646 13.788 1.00 0.00 O ATOM 176 OD2 ASP A 11 -12.475 -0.013 11.836 1.00 0.00 O ATOM 0 H ASP A 11 -9.365 -2.065 14.060 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.617 0.506 14.573 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.183 -1.762 13.014 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.358 -1.842 14.312 1.00 0.00 H new ATOM 181 N PRO A 12 -11.503 0.222 16.915 1.00 0.00 N ATOM 182 CA PRO A 12 -11.933 0.088 18.314 1.00 0.00 C ATOM 183 C PRO A 12 -13.085 -0.901 18.490 1.00 0.00 C ATOM 184 O PRO A 12 -13.358 -1.352 19.602 1.00 0.00 O ATOM 185 CB PRO A 12 -12.388 1.502 18.692 1.00 0.00 C ATOM 186 CG PRO A 12 -11.690 2.401 17.729 1.00 0.00 C ATOM 187 CD PRO A 12 -11.565 1.621 16.452 1.00 0.00 C ATOM 0 HA PRO A 12 -11.129 -0.301 18.940 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.470 1.603 18.613 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.120 1.741 19.721 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.256 3.319 17.572 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.710 2.692 18.107 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.416 1.789 15.793 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.671 1.901 15.895 1.00 0.00 H new ATOM 195 N VAL A 13 -13.761 -1.230 17.394 1.00 0.00 N ATOM 196 CA VAL A 13 -14.884 -2.159 17.441 1.00 0.00 C ATOM 197 C VAL A 13 -14.418 -3.578 17.745 1.00 0.00 C ATOM 198 O VAL A 13 -15.048 -4.297 18.521 1.00 0.00 O ATOM 199 CB VAL A 13 -15.669 -2.162 16.115 1.00 0.00 C ATOM 200 CG1 VAL A 13 -16.912 -3.031 16.227 1.00 0.00 C ATOM 201 CG2 VAL A 13 -16.040 -0.743 15.710 1.00 0.00 C ATOM 0 H VAL A 13 -13.551 -0.868 16.464 1.00 0.00 H new ATOM 0 HA VAL A 13 -15.539 -1.817 18.242 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.029 -2.583 15.340 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.451 -3.019 15.280 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.621 -4.054 16.465 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.557 -2.644 17.016 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.594 -0.766 14.771 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.659 -0.293 16.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.133 -0.152 15.582 1.00 0.00 H new ATOM 211 N ASN A 14 -13.315 -3.978 17.126 1.00 0.00 N ATOM 212 CA ASN A 14 -12.768 -5.316 17.327 1.00 0.00 C ATOM 213 C ASN A 14 -11.370 -5.267 17.945 1.00 0.00 C ATOM 214 O ASN A 14 -10.831 -6.295 18.355 1.00 0.00 O ATOM 215 CB ASN A 14 -12.721 -6.073 15.998 1.00 0.00 C ATOM 216 CG ASN A 14 -14.003 -6.832 15.719 1.00 0.00 C ATOM 217 OD1 ASN A 14 -13.999 -8.058 15.598 1.00 0.00 O ATOM 218 ND2 ASN A 14 -15.110 -6.105 15.613 1.00 0.00 N ATOM 0 H ASN A 14 -12.781 -3.396 16.481 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.425 -5.840 18.021 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.536 -5.368 15.188 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.884 -6.771 16.010 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.003 -6.560 15.424 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.067 -5.092 15.721 1.00 0.00 H new ATOM 225 N HIS A 15 -10.786 -4.074 18.009 1.00 0.00 N ATOM 226 CA HIS A 15 -9.452 -3.908 18.575 1.00 0.00 C ATOM 227 C HIS A 15 -8.416 -4.674 17.756 1.00 0.00 C ATOM 228 O HIS A 15 -7.411 -5.143 18.291 1.00 0.00 O ATOM 229 CB HIS A 15 -9.429 -4.384 20.030 1.00 0.00 C ATOM 230 CG HIS A 15 -8.880 -3.366 20.983 1.00 0.00 C ATOM 231 ND1 HIS A 15 -7.837 -3.628 21.847 1.00 0.00 N ATOM 232 CD2 HIS A 15 -9.235 -2.079 21.204 1.00 0.00 C ATOM 233 CE1 HIS A 15 -7.576 -2.547 22.559 1.00 0.00 C ATOM 234 NE2 HIS A 15 -8.410 -1.593 22.187 1.00 0.00 N ATOM 0 H HIS A 15 -11.215 -3.210 17.677 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.199 -2.848 18.545 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.442 -4.646 20.334 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.831 -5.293 20.097 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.021 -1.536 20.701 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.811 -2.458 23.316 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.437 -0.648 22.569 1.00 0.00 H new ATOM 243 N GLU A 16 -8.668 -4.795 16.458 1.00 0.00 N ATOM 244 CA GLU A 16 -7.758 -5.501 15.565 1.00 0.00 C ATOM 245 C GLU A 16 -7.627 -4.767 14.234 1.00 0.00 C ATOM 246 O GLU A 16 -8.477 -3.952 13.877 1.00 0.00 O ATOM 247 CB GLU A 16 -8.251 -6.932 15.329 1.00 0.00 C ATOM 248 CG GLU A 16 -7.285 -7.995 15.827 1.00 0.00 C ATOM 249 CD GLU A 16 -6.325 -8.459 14.749 1.00 0.00 C ATOM 250 OE1 GLU A 16 -5.698 -7.597 14.099 1.00 0.00 O ATOM 251 OE2 GLU A 16 -6.200 -9.687 14.555 1.00 0.00 O ATOM 0 H GLU A 16 -9.496 -4.413 16.000 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.776 -5.537 16.037 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.212 -7.064 15.826 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.422 -7.078 14.262 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.717 -7.599 16.669 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.850 -8.850 16.198 1.00 0.00 H new ATOM 258 N TRP A 17 -6.555 -5.062 13.504 1.00 0.00 N ATOM 259 CA TRP A 17 -6.312 -4.429 12.213 1.00 0.00 C ATOM 260 C TRP A 17 -7.488 -4.648 11.265 1.00 0.00 C ATOM 261 O TRP A 17 -8.048 -5.741 11.197 1.00 0.00 O ATOM 262 CB TRP A 17 -5.030 -4.980 11.584 1.00 0.00 C ATOM 263 CG TRP A 17 -3.867 -4.999 12.527 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.194 -6.100 12.975 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.238 -3.866 13.138 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.185 -5.720 13.827 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.191 -4.356 13.943 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.456 -2.486 13.083 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.367 -3.515 14.685 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.636 -1.653 13.822 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.602 -2.170 14.612 1.00 0.00 C ATOM 0 H TRP A 17 -5.842 -5.735 13.785 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.198 -3.358 12.381 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.215 -5.993 11.227 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.773 -4.377 10.713 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.421 -7.119 12.700 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.537 -6.352 14.297 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.250 -2.078 12.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.570 -3.911 15.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.796 -0.585 13.789 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.977 -1.493 15.175 1.00 0.00 H new ATOM 282 N TYR A 18 -7.857 -3.599 10.537 1.00 0.00 N ATOM 283 CA TYR A 18 -8.965 -3.674 9.592 1.00 0.00 C ATOM 284 C TYR A 18 -8.522 -3.215 8.203 1.00 0.00 C ATOM 285 O TYR A 18 -8.001 -2.111 8.045 1.00 0.00 O ATOM 286 CB TYR A 18 -10.134 -2.814 10.079 1.00 0.00 C ATOM 287 CG TYR A 18 -11.193 -3.595 10.824 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.855 -4.426 11.883 1.00 0.00 C ATOM 289 CD2 TYR A 18 -12.532 -3.500 10.466 1.00 0.00 C ATOM 290 CE1 TYR A 18 -11.819 -5.142 12.566 1.00 0.00 C ATOM 291 CE2 TYR A 18 -13.504 -4.214 11.145 1.00 0.00 C ATOM 292 CZ TYR A 18 -13.141 -5.032 12.193 1.00 0.00 C ATOM 293 OH TYR A 18 -14.105 -5.744 12.870 1.00 0.00 O ATOM 0 H TYR A 18 -7.404 -2.686 10.584 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.290 -4.712 9.527 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.750 -2.028 10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.594 -2.322 9.222 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.820 -4.514 12.178 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.819 -2.859 9.645 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.538 -5.784 13.388 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -14.541 -4.131 10.855 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.985 -5.553 12.483 1.00 0.00 H new ATOM 303 N PRO A 19 -8.724 -4.055 7.171 1.00 0.00 N ATOM 304 CA PRO A 19 -8.339 -3.719 5.796 1.00 0.00 C ATOM 305 C PRO A 19 -9.211 -2.616 5.206 1.00 0.00 C ATOM 306 O PRO A 19 -10.400 -2.815 4.962 1.00 0.00 O ATOM 307 CB PRO A 19 -8.544 -5.029 5.035 1.00 0.00 C ATOM 308 CG PRO A 19 -9.574 -5.764 5.820 1.00 0.00 C ATOM 309 CD PRO A 19 -9.340 -5.394 7.258 1.00 0.00 C ATOM 0 HA PRO A 19 -7.320 -3.337 5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.880 -4.846 4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.616 -5.598 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.579 -5.484 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.482 -6.840 5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.271 -5.372 7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.682 -6.107 7.755 1.00 0.00 H new ATOM 317 N HIS A 20 -8.610 -1.453 4.980 1.00 0.00 N ATOM 318 CA HIS A 20 -9.332 -0.316 4.419 1.00 0.00 C ATOM 319 C HIS A 20 -8.407 0.550 3.571 1.00 0.00 C ATOM 320 O HIS A 20 -7.243 0.753 3.916 1.00 0.00 O ATOM 321 CB HIS A 20 -9.951 0.525 5.537 1.00 0.00 C ATOM 322 CG HIS A 20 -11.182 -0.083 6.134 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.337 -0.292 7.488 1.00 0.00 N ATOM 324 CD2 HIS A 20 -12.323 -0.523 5.552 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.520 -0.837 7.713 1.00 0.00 C ATOM 326 NE2 HIS A 20 -13.137 -0.987 6.556 1.00 0.00 N ATOM 0 H HIS A 20 -7.625 -1.272 5.176 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.127 -0.702 3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.210 0.671 6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.197 1.512 5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -12.550 -0.511 4.496 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.915 -1.113 8.680 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -14.068 -1.384 6.428 1.00 0.00 H new ATOM 335 N TYR A 21 -8.933 1.061 2.462 1.00 0.00 N ATOM 336 CA TYR A 21 -8.152 1.908 1.569 1.00 0.00 C ATOM 337 C TYR A 21 -7.646 3.145 2.304 1.00 0.00 C ATOM 338 O TYR A 21 -8.238 3.578 3.293 1.00 0.00 O ATOM 339 CB TYR A 21 -8.993 2.324 0.361 1.00 0.00 C ATOM 340 CG TYR A 21 -8.189 2.492 -0.909 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.433 1.444 -1.418 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.188 3.698 -1.597 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.697 1.592 -2.577 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.455 3.856 -2.758 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.710 2.801 -3.243 1.00 0.00 C ATOM 346 OH TYR A 21 -5.978 2.953 -4.399 1.00 0.00 O ATOM 0 H TYR A 21 -9.895 0.903 2.161 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.292 1.335 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.768 1.576 0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.499 3.262 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.421 0.497 -0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.769 4.526 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.115 0.767 -2.960 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.465 4.800 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.548 3.335 -5.099 1.00 0.00 H new ATOM 356 N PHE A 22 -6.545 3.707 1.817 1.00 0.00 N ATOM 357 CA PHE A 22 -5.959 4.892 2.432 1.00 0.00 C ATOM 358 C PHE A 22 -5.299 5.781 1.384 1.00 0.00 C ATOM 359 O PHE A 22 -4.639 5.292 0.468 1.00 0.00 O ATOM 360 CB PHE A 22 -4.937 4.481 3.494 1.00 0.00 C ATOM 361 CG PHE A 22 -5.133 5.167 4.815 1.00 0.00 C ATOM 362 CD1 PHE A 22 -5.156 6.550 4.896 1.00 0.00 C ATOM 363 CD2 PHE A 22 -5.296 4.429 5.976 1.00 0.00 C ATOM 364 CE1 PHE A 22 -5.336 7.185 6.110 1.00 0.00 C ATOM 365 CE2 PHE A 22 -5.476 5.058 7.195 1.00 0.00 C ATOM 366 CZ PHE A 22 -5.496 6.437 7.260 1.00 0.00 C ATOM 0 H PHE A 22 -6.041 3.362 1.000 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.758 5.462 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.993 3.403 3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.935 4.700 3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.032 7.139 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.282 3.350 5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.352 8.264 6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.601 4.472 8.093 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.637 6.931 8.210 1.00 0.00 H new ATOM 376 N VAL A 23 -5.484 7.090 1.525 1.00 0.00 N ATOM 377 CA VAL A 23 -4.907 8.048 0.591 1.00 0.00 C ATOM 378 C VAL A 23 -4.194 9.176 1.331 1.00 0.00 C ATOM 379 O VAL A 23 -4.561 9.523 2.452 1.00 0.00 O ATOM 380 CB VAL A 23 -5.984 8.655 -0.329 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.345 9.501 -1.418 1.00 0.00 C ATOM 382 CG2 VAL A 23 -6.849 7.559 -0.934 1.00 0.00 C ATOM 0 H VAL A 23 -6.029 7.511 2.278 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.186 7.501 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.623 9.302 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.123 9.920 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.774 10.310 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.679 8.880 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.604 8.007 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.224 6.884 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.339 7.001 -0.137 1.00 0.00 H new ATOM 392 N LEU A 24 -3.171 9.740 0.696 1.00 0.00 N ATOM 393 CA LEU A 24 -2.406 10.825 1.296 1.00 0.00 C ATOM 394 C LEU A 24 -2.175 11.951 0.291 1.00 0.00 C ATOM 395 O LEU A 24 -1.550 11.744 -0.751 1.00 0.00 O ATOM 396 CB LEU A 24 -1.064 10.304 1.812 1.00 0.00 C ATOM 397 CG LEU A 24 -0.183 11.349 2.497 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.732 11.688 3.875 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.250 10.850 2.599 1.00 0.00 C ATOM 0 H LEU A 24 -2.854 9.463 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.981 11.222 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.253 9.493 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.511 9.878 0.975 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.189 12.257 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.093 12.433 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.742 12.086 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.755 10.788 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.864 11.605 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.274 9.929 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.640 10.657 1.600 1.00 0.00 H new ATOM 411 N THR A 25 -2.681 13.137 0.611 1.00 0.00 N ATOM 412 CA THR A 25 -2.527 14.294 -0.265 1.00 0.00 C ATOM 413 C THR A 25 -1.367 15.174 0.191 1.00 0.00 C ATOM 414 O THR A 25 -0.957 15.130 1.351 1.00 0.00 O ATOM 415 CB THR A 25 -3.819 15.111 -0.307 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.104 15.671 0.967 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.024 14.301 -0.742 1.00 0.00 C ATOM 0 H THR A 25 -3.201 13.323 1.469 1.00 0.00 H new ATOM 0 HA THR A 25 -2.308 13.928 -1.268 1.00 0.00 H new ATOM 0 HB THR A 25 -3.644 15.893 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.404 15.413 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.908 14.939 -0.751 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.853 13.904 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.179 13.477 -0.046 1.00 0.00 H new ATOM 425 N SER A 26 -0.839 15.964 -0.738 1.00 0.00 N ATOM 426 CA SER A 26 0.283 16.854 -0.454 1.00 0.00 C ATOM 427 C SER A 26 0.053 17.682 0.809 1.00 0.00 C ATOM 428 O SER A 26 0.986 17.928 1.573 1.00 0.00 O ATOM 429 CB SER A 26 0.531 17.784 -1.643 1.00 0.00 C ATOM 430 OG SER A 26 1.529 18.744 -1.341 1.00 0.00 O ATOM 0 H SER A 26 -1.172 16.006 -1.701 1.00 0.00 H new ATOM 0 HA SER A 26 1.160 16.228 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.837 17.198 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.396 18.291 -1.912 1.00 0.00 H new ATOM 0 HG SER A 26 1.670 19.325 -2.118 1.00 0.00 H new ATOM 436 N SER A 27 -1.184 18.122 1.019 1.00 0.00 N ATOM 437 CA SER A 27 -1.506 18.934 2.188 1.00 0.00 C ATOM 438 C SER A 27 -2.718 18.391 2.941 1.00 0.00 C ATOM 439 O SER A 27 -3.547 19.160 3.430 1.00 0.00 O ATOM 440 CB SER A 27 -1.764 20.382 1.767 1.00 0.00 C ATOM 441 OG SER A 27 -0.547 21.092 1.606 1.00 0.00 O ATOM 0 H SER A 27 -1.973 17.932 0.401 1.00 0.00 H new ATOM 0 HA SER A 27 -0.650 18.894 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.324 20.398 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.381 20.877 2.517 1.00 0.00 H new ATOM 0 HG SER A 27 -0.740 22.014 1.335 1.00 0.00 H new ATOM 447 N LYS A 28 -2.818 17.068 3.043 1.00 0.00 N ATOM 448 CA LYS A 28 -3.934 16.446 3.750 1.00 0.00 C ATOM 449 C LYS A 28 -3.893 14.926 3.626 1.00 0.00 C ATOM 450 O LYS A 28 -3.115 14.374 2.848 1.00 0.00 O ATOM 451 CB LYS A 28 -5.268 16.977 3.216 1.00 0.00 C ATOM 452 CG LYS A 28 -6.128 17.641 4.280 1.00 0.00 C ATOM 453 CD LYS A 28 -6.618 19.008 3.833 1.00 0.00 C ATOM 454 CE LYS A 28 -7.319 19.745 4.961 1.00 0.00 C ATOM 455 NZ LYS A 28 -7.186 21.222 4.829 1.00 0.00 N ATOM 0 H LYS A 28 -2.145 16.410 2.648 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.842 16.704 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.071 17.695 2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.826 16.153 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.983 17.004 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.554 17.743 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.774 19.600 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.302 18.893 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.375 19.475 4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.901 19.427 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.678 21.687 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.179 21.483 4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.607 21.529 3.929 1.00 0.00 H new ATOM 469 N ILE A 29 -4.742 14.257 4.401 1.00 0.00 N ATOM 470 CA ILE A 29 -4.818 12.802 4.384 1.00 0.00 C ATOM 471 C ILE A 29 -6.260 12.339 4.199 1.00 0.00 C ATOM 472 O ILE A 29 -7.198 13.047 4.559 1.00 0.00 O ATOM 473 CB ILE A 29 -4.258 12.189 5.683 1.00 0.00 C ATOM 474 CG1 ILE A 29 -3.047 12.989 6.173 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.886 10.727 5.460 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.391 12.403 7.407 1.00 0.00 C ATOM 0 H ILE A 29 -5.389 14.703 5.051 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.212 12.461 3.545 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.029 12.234 6.452 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.310 13.044 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.360 14.011 6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.492 10.307 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.771 10.169 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.128 10.659 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.541 13.022 7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.113 12.373 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.046 11.392 7.190 1.00 0.00 H new ATOM 488 N TYR A 30 -6.430 11.150 3.631 1.00 0.00 N ATOM 489 CA TYR A 30 -7.761 10.601 3.399 1.00 0.00 C ATOM 490 C TYR A 30 -7.866 9.173 3.926 1.00 0.00 C ATOM 491 O TYR A 30 -6.899 8.413 3.889 1.00 0.00 O ATOM 492 CB TYR A 30 -8.094 10.635 1.905 1.00 0.00 C ATOM 493 CG TYR A 30 -9.138 11.667 1.541 1.00 0.00 C ATOM 494 CD1 TYR A 30 -10.474 11.474 1.866 1.00 0.00 C ATOM 495 CD2 TYR A 30 -8.785 12.832 0.873 1.00 0.00 C ATOM 496 CE1 TYR A 30 -11.431 12.414 1.534 1.00 0.00 C ATOM 497 CE2 TYR A 30 -9.736 13.777 0.538 1.00 0.00 C ATOM 498 CZ TYR A 30 -11.058 13.564 0.870 1.00 0.00 C ATOM 499 OH TYR A 30 -12.007 14.503 0.540 1.00 0.00 O ATOM 0 H TYR A 30 -5.665 10.549 3.324 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.479 11.217 3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.183 10.838 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.446 9.650 1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.770 10.575 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.751 13.002 0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.466 12.249 1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.446 14.678 0.019 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.578 15.253 0.077 1.00 0.00 H new ATOM 509 N TYR A 31 -9.050 8.815 4.415 1.00 0.00 N ATOM 510 CA TYR A 31 -9.286 7.480 4.949 1.00 0.00 C ATOM 511 C TYR A 31 -10.719 7.031 4.675 1.00 0.00 C ATOM 512 O TYR A 31 -11.649 7.836 4.716 1.00 0.00 O ATOM 513 CB TYR A 31 -9.009 7.451 6.452 1.00 0.00 C ATOM 514 CG TYR A 31 -9.193 6.085 7.076 1.00 0.00 C ATOM 515 CD1 TYR A 31 -8.487 4.986 6.607 1.00 0.00 C ATOM 516 CD2 TYR A 31 -10.077 5.896 8.131 1.00 0.00 C ATOM 517 CE1 TYR A 31 -8.653 3.735 7.173 1.00 0.00 C ATOM 518 CE2 TYR A 31 -10.249 4.649 8.702 1.00 0.00 C ATOM 519 CZ TYR A 31 -9.536 3.573 8.219 1.00 0.00 C ATOM 520 OH TYR A 31 -9.705 2.330 8.785 1.00 0.00 O ATOM 0 H TYR A 31 -9.861 9.433 4.452 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.605 6.791 4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.988 7.789 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.671 8.160 6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.796 5.110 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.639 6.737 8.511 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.094 2.890 6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.939 4.518 9.523 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.212 1.758 8.172 1.00 0.00 H new ATOM 530 N SER A 32 -10.887 5.743 4.394 1.00 0.00 N ATOM 531 CA SER A 32 -12.206 5.190 4.112 1.00 0.00 C ATOM 532 C SER A 32 -12.522 4.028 5.048 1.00 0.00 C ATOM 533 O SER A 32 -11.675 3.597 5.829 1.00 0.00 O ATOM 534 CB SER A 32 -12.286 4.723 2.657 1.00 0.00 C ATOM 535 OG SER A 32 -12.773 5.755 1.816 1.00 0.00 O ATOM 0 H SER A 32 -10.127 5.064 4.356 1.00 0.00 H new ATOM 0 HA SER A 32 -12.943 5.976 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.299 4.409 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.939 3.853 2.586 1.00 0.00 H new ATOM 0 HG SER A 32 -12.813 5.432 0.892 1.00 0.00 H new ATOM 1396 N GLY A 91 -12.986 9.868 6.283 1.00 0.00 N ATOM 1397 CA GLY A 91 -11.936 10.303 7.186 1.00 0.00 C ATOM 1398 C GLY A 91 -10.929 11.212 6.510 1.00 0.00 C ATOM 1399 O GLY A 91 -10.585 11.012 5.345 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.382 10.826 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.421 9.430 7.587 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.454 12.212 7.242 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.478 13.156 6.708 1.00 0.00 C ATOM 1405 C VAL A 92 -8.596 13.718 7.818 1.00 0.00 C ATOM 1406 O VAL A 92 -9.082 14.076 8.891 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.168 14.319 5.969 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -11.061 15.106 6.918 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -9.136 15.229 5.319 1.00 0.00 C ATOM 0 H VAL A 92 -10.729 12.391 8.208 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.857 12.607 6.000 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.796 13.900 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.538 15.922 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.826 14.447 7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.459 15.513 7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.643 16.044 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.478 15.639 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.546 14.657 4.603 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.294 13.794 7.553 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.344 14.312 8.530 1.00 0.00 C ATOM 1421 C LEU A 93 -5.546 15.476 7.949 1.00 0.00 C ATOM 1422 O LEU A 93 -5.788 15.905 6.820 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.396 13.202 8.988 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.089 13.191 10.489 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.011 12.223 11.214 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -3.633 12.827 10.733 1.00 0.00 C ATOM 0 H LEU A 93 -6.874 13.503 6.670 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.906 14.676 9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.828 12.240 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.458 13.297 8.441 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.263 14.192 10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.779 12.228 12.279 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.047 12.528 11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.869 11.218 10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.433 12.824 11.805 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.432 11.837 10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.988 13.559 10.246 1.00 0.00 H new ATOM 1438 N ASP A 94 -4.596 15.982 8.727 1.00 0.00 N ATOM 1439 CA ASP A 94 -3.761 17.097 8.290 1.00 0.00 C ATOM 1440 C ASP A 94 -2.289 16.697 8.263 1.00 0.00 C ATOM 1441 O ASP A 94 -1.816 15.971 9.136 1.00 0.00 O ATOM 1442 CB ASP A 94 -3.957 18.299 9.214 1.00 0.00 C ATOM 1443 CG ASP A 94 -5.418 18.656 9.398 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -6.034 19.154 8.432 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -5.949 18.435 10.507 1.00 0.00 O ATOM 0 H ASP A 94 -4.384 15.639 9.664 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.063 17.370 7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.514 18.082 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.425 19.158 8.805 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.570 17.177 7.252 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.153 16.871 7.112 1.00 0.00 C ATOM 1452 C VAL A 95 0.710 17.758 8.009 1.00 0.00 C ATOM 1453 O VAL A 95 1.601 17.266 8.701 1.00 0.00 O ATOM 1454 CB VAL A 95 0.318 17.023 5.653 1.00 0.00 C ATOM 1455 CG1 VAL A 95 1.744 16.516 5.496 1.00 0.00 C ATOM 1456 CG2 VAL A 95 -0.622 16.287 4.710 1.00 0.00 C ATOM 0 H VAL A 95 -1.947 17.779 6.519 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.033 15.832 7.420 1.00 0.00 H new ATOM 0 HB VAL A 95 0.302 18.082 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.059 16.631 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.407 17.090 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.788 15.463 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.274 16.405 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.640 15.228 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.627 16.700 4.802 1.00 0.00 H new ATOM 1466 N PRO A 96 0.462 19.084 8.017 1.00 0.00 N ATOM 1467 CA PRO A 96 1.232 20.021 8.839 1.00 0.00 C ATOM 1468 C PRO A 96 0.744 20.067 10.285 1.00 0.00 C ATOM 1469 O PRO A 96 0.500 21.143 10.832 1.00 0.00 O ATOM 1470 CB PRO A 96 0.984 21.358 8.146 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.388 21.234 7.577 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.577 19.777 7.228 1.00 0.00 C ATOM 0 HA PRO A 96 2.284 19.743 8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.048 22.188 8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.722 21.544 7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.138 21.561 8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.500 21.862 6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.576 19.430 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.450 19.603 6.160 1.00 0.00 H new ATOM 1480 N ALA A 97 0.606 18.895 10.899 1.00 0.00 N ATOM 1481 CA ALA A 97 0.149 18.802 12.281 1.00 0.00 C ATOM 1482 C ALA A 97 0.091 17.348 12.740 1.00 0.00 C ATOM 1483 O ALA A 97 -0.816 16.955 13.474 1.00 0.00 O ATOM 1484 CB ALA A 97 -1.214 19.459 12.436 1.00 0.00 C ATOM 0 H ALA A 97 0.805 17.996 10.460 1.00 0.00 H new ATOM 0 HA ALA A 97 0.866 19.330 12.910 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.540 19.380 13.473 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.145 20.510 12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.935 18.958 11.790 1.00 0.00 H new ATOM 1490 N CYS A 98 1.063 16.555 12.302 1.00 0.00 N ATOM 1491 CA CYS A 98 1.119 15.144 12.667 1.00 0.00 C ATOM 1492 C CYS A 98 2.530 14.744 13.084 1.00 0.00 C ATOM 1493 O CYS A 98 3.436 15.575 13.128 1.00 0.00 O ATOM 1494 CB CYS A 98 0.652 14.274 11.499 1.00 0.00 C ATOM 1495 SG CYS A 98 1.519 14.599 9.945 1.00 0.00 S ATOM 0 H CYS A 98 1.822 16.865 11.695 1.00 0.00 H new ATOM 0 HA CYS A 98 0.453 14.988 13.515 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.785 13.225 11.765 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -0.416 14.431 11.347 1.00 0.00 H new ATOM 0 HG CYS A 98 1.517 15.877 9.706 1.00 0.00 H new ATOM 1501 N GLN A 99 2.707 13.462 13.388 1.00 0.00 N ATOM 1502 CA GLN A 99 4.005 12.945 13.803 1.00 0.00 C ATOM 1503 C GLN A 99 4.031 11.422 13.718 1.00 0.00 C ATOM 1504 O GLN A 99 3.516 10.733 14.598 1.00 0.00 O ATOM 1505 CB GLN A 99 4.325 13.393 15.229 1.00 0.00 C ATOM 1506 CG GLN A 99 5.814 13.444 15.532 1.00 0.00 C ATOM 1507 CD GLN A 99 6.295 12.227 16.297 1.00 0.00 C ATOM 1508 OE1 GLN A 99 7.067 11.419 15.781 1.00 0.00 O ATOM 1509 NE2 GLN A 99 5.837 12.089 17.536 1.00 0.00 N ATOM 0 H GLN A 99 1.966 12.762 13.354 1.00 0.00 H new ATOM 0 HA GLN A 99 4.762 13.344 13.128 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.895 14.381 15.396 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.843 12.713 15.931 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.369 13.524 14.597 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.033 14.342 16.110 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.198 12.783 17.924 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.124 11.289 18.100 1.00 0.00 H new ATOM 1518 N ILE A 100 4.633 10.904 12.652 1.00 0.00 N ATOM 1519 CA ILE A 100 4.722 9.462 12.450 1.00 0.00 C ATOM 1520 C ILE A 100 5.797 8.850 13.342 1.00 0.00 C ATOM 1521 O ILE A 100 6.687 9.549 13.830 1.00 0.00 O ATOM 1522 CB ILE A 100 5.034 9.116 10.982 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.177 9.963 10.039 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.802 7.633 10.726 1.00 0.00 C ATOM 1525 CD1 ILE A 100 2.691 9.755 10.222 1.00 0.00 C ATOM 0 H ILE A 100 5.066 11.461 11.915 1.00 0.00 H new ATOM 0 HA ILE A 100 3.750 9.046 12.714 1.00 0.00 H new ATOM 0 HB ILE A 100 6.083 9.340 10.789 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.410 11.016 10.197 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.444 9.728 9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.027 7.404 9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.452 7.046 11.375 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.761 7.386 10.935 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.146 10.387 9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.444 8.710 10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.410 10.018 11.242 1.00 0.00 H new ATOM 1537 N ALA A 101 5.709 7.541 13.550 1.00 0.00 N ATOM 1538 CA ALA A 101 6.674 6.831 14.383 1.00 0.00 C ATOM 1539 C ALA A 101 6.679 5.341 14.060 1.00 0.00 C ATOM 1540 O ALA A 101 5.910 4.569 14.632 1.00 0.00 O ATOM 1541 CB ALA A 101 6.366 7.055 15.854 1.00 0.00 C ATOM 0 H ALA A 101 4.979 6.949 13.153 1.00 0.00 H new ATOM 0 HA ALA A 101 7.667 7.227 14.169 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.094 6.520 16.464 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.418 8.120 16.079 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.365 6.686 16.076 1.00 0.00 H new ATOM 1547 N ILE A 102 7.550 4.942 13.138 1.00 0.00 N ATOM 1548 CA ILE A 102 7.652 3.544 12.738 1.00 0.00 C ATOM 1549 C ILE A 102 7.970 2.650 13.931 1.00 0.00 C ATOM 1550 O ILE A 102 8.507 3.107 14.940 1.00 0.00 O ATOM 1551 CB ILE A 102 8.734 3.342 11.656 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.442 4.221 10.439 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.817 1.876 11.249 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.671 4.551 9.623 1.00 0.00 C ATOM 0 H ILE A 102 8.195 5.567 12.654 1.00 0.00 H new ATOM 0 HA ILE A 102 6.682 3.265 12.327 1.00 0.00 H new ATOM 0 HB ILE A 102 9.697 3.637 12.072 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.717 3.715 9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.978 5.149 10.774 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.585 1.753 10.485 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.070 1.271 12.119 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.855 1.554 10.851 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.388 5.177 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.389 5.085 10.246 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.123 3.629 9.258 1.00 0.00 H new ATOM 1566 N ARG A 103 7.636 1.371 13.801 1.00 0.00 N ATOM 1567 CA ARG A 103 7.883 0.401 14.858 1.00 0.00 C ATOM 1568 C ARG A 103 8.085 -0.991 14.265 1.00 0.00 C ATOM 1569 O ARG A 103 7.152 -1.577 13.716 1.00 0.00 O ATOM 1570 CB ARG A 103 6.715 0.379 15.844 1.00 0.00 C ATOM 1571 CG ARG A 103 6.396 1.740 16.442 1.00 0.00 C ATOM 1572 CD ARG A 103 5.234 1.660 17.419 1.00 0.00 C ATOM 1573 NE ARG A 103 5.065 2.899 18.174 1.00 0.00 N ATOM 1574 CZ ARG A 103 4.142 3.073 19.117 1.00 0.00 C ATOM 1575 NH1 ARG A 103 3.305 2.090 19.425 1.00 0.00 N ATOM 1576 NH2 ARG A 103 4.057 4.232 19.755 1.00 0.00 N ATOM 0 H ARG A 103 7.192 0.982 12.970 1.00 0.00 H new ATOM 0 HA ARG A 103 8.789 0.695 15.389 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.829 -0.002 15.336 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.944 -0.318 16.650 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.276 2.130 16.953 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.154 2.442 15.644 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.316 1.441 16.873 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.399 0.834 18.111 1.00 0.00 H new ATOM 0 HE ARG A 103 5.691 3.677 17.966 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.367 1.196 18.938 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.600 2.229 20.149 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.699 4.990 19.523 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.350 4.366 20.478 1.00 0.00 H new ATOM 1590 N PRO A 104 9.307 -1.545 14.356 1.00 0.00 N ATOM 1591 CA PRO A 104 9.610 -2.871 13.815 1.00 0.00 C ATOM 1592 C PRO A 104 9.085 -3.999 14.702 1.00 0.00 C ATOM 1593 O PRO A 104 9.814 -4.937 15.028 1.00 0.00 O ATOM 1594 CB PRO A 104 11.136 -2.889 13.776 1.00 0.00 C ATOM 1595 CG PRO A 104 11.550 -1.989 14.889 1.00 0.00 C ATOM 1596 CD PRO A 104 10.490 -0.923 14.987 1.00 0.00 C ATOM 0 HA PRO A 104 9.139 -3.034 12.846 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.524 -3.898 13.916 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.512 -2.533 12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.634 -2.541 15.825 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.527 -1.549 14.690 1.00 0.00 H new ATOM 0 HD2 PRO A 104 10.293 -0.648 16.023 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.789 -0.013 14.467 1.00 0.00 H new ATOM 1604 N GLU A 105 7.813 -3.902 15.090 1.00 0.00 N ATOM 1605 CA GLU A 105 7.178 -4.907 15.940 1.00 0.00 C ATOM 1606 C GLU A 105 5.845 -4.384 16.470 1.00 0.00 C ATOM 1607 O GLU A 105 5.657 -4.235 17.679 1.00 0.00 O ATOM 1608 CB GLU A 105 8.099 -5.294 17.106 1.00 0.00 C ATOM 1609 CG GLU A 105 8.602 -6.727 17.031 1.00 0.00 C ATOM 1610 CD GLU A 105 8.438 -7.473 18.341 1.00 0.00 C ATOM 1611 OE1 GLU A 105 9.036 -7.041 19.349 1.00 0.00 O ATOM 1612 OE2 GLU A 105 7.712 -8.489 18.360 1.00 0.00 O ATOM 0 H GLU A 105 7.199 -3.131 14.826 1.00 0.00 H new ATOM 0 HA GLU A 105 6.993 -5.798 15.339 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.954 -4.618 17.124 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.562 -5.154 18.044 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.063 -7.257 16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.655 -6.724 16.748 1.00 0.00 H new ATOM 1619 N GLY A 106 4.920 -4.102 15.557 1.00 0.00 N ATOM 1620 CA GLY A 106 3.619 -3.593 15.948 1.00 0.00 C ATOM 1621 C GLY A 106 2.917 -4.490 16.947 1.00 0.00 C ATOM 1622 O GLY A 106 3.143 -4.385 18.153 1.00 0.00 O ATOM 0 H GLY A 106 5.049 -4.217 14.552 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.737 -2.599 16.379 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.994 -3.484 15.061 1.00 0.00 H new ATOM 1626 N LYS A 107 2.061 -5.374 16.446 1.00 0.00 N ATOM 1627 CA LYS A 107 1.321 -6.296 17.304 1.00 0.00 C ATOM 1628 C LYS A 107 0.305 -7.100 16.496 1.00 0.00 C ATOM 1629 O LYS A 107 -0.036 -6.736 15.371 1.00 0.00 O ATOM 1630 CB LYS A 107 0.608 -5.533 18.425 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.065 -4.248 17.965 1.00 0.00 C ATOM 1632 CD LYS A 107 -1.562 -4.437 17.784 1.00 0.00 C ATOM 1633 CE LYS A 107 -2.292 -4.390 19.116 1.00 0.00 C ATOM 1634 NZ LYS A 107 -1.925 -3.185 19.909 1.00 0.00 N ATOM 0 H LYS A 107 1.862 -5.473 15.451 1.00 0.00 H new ATOM 0 HA LYS A 107 2.038 -6.988 17.746 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.142 -6.184 18.874 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.331 -5.294 19.205 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.118 -3.459 18.695 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.378 -3.921 17.024 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.951 -3.660 17.126 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.753 -5.393 17.296 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.368 -4.395 18.941 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.058 -5.287 19.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.751 -2.863 20.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.151 -3.422 20.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.617 -2.427 19.267 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.174 -8.193 17.081 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.151 -9.055 16.423 1.00 0.00 C ATOM 1650 C ASN A 108 -0.622 -9.556 15.082 1.00 0.00 C ATOM 1651 O ASN A 108 -1.265 -9.393 14.044 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.472 -8.307 16.222 1.00 0.00 C ATOM 1653 CG ASN A 108 -2.929 -7.591 17.478 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -2.309 -7.710 18.535 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -4.021 -6.843 17.368 1.00 0.00 N ATOM 0 H ASN A 108 0.099 -8.504 18.013 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.327 -9.918 17.066 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.357 -7.583 15.416 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.242 -9.013 15.909 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.377 -6.338 18.180 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.503 -6.773 16.472 1.00 0.00 H new ATOM 1662 N ASN A 109 0.556 -10.174 15.112 1.00 0.00 N ATOM 1663 CA ASN A 109 1.179 -10.708 13.906 1.00 0.00 C ATOM 1664 C ASN A 109 1.494 -9.596 12.908 1.00 0.00 C ATOM 1665 O ASN A 109 1.124 -9.675 11.737 1.00 0.00 O ATOM 1666 CB ASN A 109 0.272 -11.756 13.256 1.00 0.00 C ATOM 1667 CG ASN A 109 0.417 -13.123 13.894 1.00 0.00 C ATOM 1668 OD1 ASN A 109 -0.329 -13.476 14.808 1.00 0.00 O ATOM 1669 ND2 ASN A 109 1.381 -13.900 13.416 1.00 0.00 N ATOM 0 H ASN A 109 1.100 -10.317 15.963 1.00 0.00 H new ATOM 0 HA ASN A 109 2.117 -11.181 14.196 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.766 -11.431 13.332 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.507 -11.827 12.194 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.527 -14.831 13.807 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.976 -13.566 12.657 1.00 0.00 H new ATOM 1676 N ARG A 110 2.186 -8.562 13.380 1.00 0.00 N ATOM 1677 CA ARG A 110 2.556 -7.436 12.529 1.00 0.00 C ATOM 1678 C ARG A 110 3.892 -6.848 12.964 1.00 0.00 C ATOM 1679 O ARG A 110 3.955 -6.042 13.893 1.00 0.00 O ATOM 1680 CB ARG A 110 1.474 -6.357 12.568 1.00 0.00 C ATOM 1681 CG ARG A 110 0.112 -6.834 12.089 1.00 0.00 C ATOM 1682 CD ARG A 110 0.142 -7.237 10.624 1.00 0.00 C ATOM 1683 NE ARG A 110 -1.059 -7.974 10.236 1.00 0.00 N ATOM 1684 CZ ARG A 110 -1.428 -8.177 8.974 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -0.694 -7.704 7.975 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -2.536 -8.857 8.709 1.00 0.00 N ATOM 0 H ARG A 110 2.501 -8.481 14.347 1.00 0.00 H new ATOM 0 HA ARG A 110 2.652 -7.802 11.507 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.380 -5.987 13.589 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.791 -5.516 11.952 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.210 -7.682 12.693 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.623 -6.042 12.234 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.237 -6.345 10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.022 -7.852 10.435 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.649 -8.355 10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.159 -7.181 8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.983 -7.863 7.010 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.104 -9.224 9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.820 -9.013 7.742 1.00 0.00 H new ATOM 1700 N LEU A 111 4.962 -7.256 12.287 1.00 0.00 N ATOM 1701 CA LEU A 111 6.300 -6.770 12.605 1.00 0.00 C ATOM 1702 C LEU A 111 6.512 -5.360 12.063 1.00 0.00 C ATOM 1703 O LEU A 111 7.238 -4.561 12.655 1.00 0.00 O ATOM 1704 CB LEU A 111 7.357 -7.715 12.031 1.00 0.00 C ATOM 1705 CG LEU A 111 7.074 -9.206 12.239 1.00 0.00 C ATOM 1706 CD1 LEU A 111 7.134 -9.954 10.915 1.00 0.00 C ATOM 1707 CD2 LEU A 111 8.057 -9.803 13.234 1.00 0.00 C ATOM 0 H LEU A 111 4.928 -7.922 11.515 1.00 0.00 H new ATOM 0 HA LEU A 111 6.400 -6.740 13.690 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.451 -7.524 10.962 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.320 -7.477 12.483 1.00 0.00 H new ATOM 0 HG LEU A 111 6.068 -9.309 12.645 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.930 -11.011 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.389 -9.546 10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.126 -9.841 10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.840 -10.863 13.369 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.073 -9.686 12.857 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.964 -9.289 14.191 1.00 0.00 H new ATOM 1719 N PHE A 112 5.879 -5.062 10.933 1.00 0.00 N ATOM 1720 CA PHE A 112 6.004 -3.748 10.313 1.00 0.00 C ATOM 1721 C PHE A 112 4.764 -2.900 10.578 1.00 0.00 C ATOM 1722 O PHE A 112 3.715 -3.107 9.969 1.00 0.00 O ATOM 1723 CB PHE A 112 6.226 -3.891 8.806 1.00 0.00 C ATOM 1724 CG PHE A 112 7.654 -4.165 8.434 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.337 -5.234 8.993 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.315 -3.354 7.524 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.652 -5.487 8.654 1.00 0.00 C ATOM 1728 CE2 PHE A 112 9.631 -3.604 7.181 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.300 -4.671 7.746 1.00 0.00 C ATOM 0 H PHE A 112 5.275 -5.711 10.429 1.00 0.00 H new ATOM 0 HA PHE A 112 6.865 -3.247 10.754 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.599 -4.700 8.430 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.899 -2.977 8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.835 -5.876 9.702 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.796 -2.518 7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.173 -6.322 9.098 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.135 -2.965 6.471 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.328 -4.868 7.479 1.00 0.00 H new ATOM 1739 N VAL A 113 4.891 -1.944 11.493 1.00 0.00 N ATOM 1740 CA VAL A 113 3.781 -1.065 11.840 1.00 0.00 C ATOM 1741 C VAL A 113 4.283 0.289 12.327 1.00 0.00 C ATOM 1742 O VAL A 113 5.197 0.368 13.147 1.00 0.00 O ATOM 1743 CB VAL A 113 2.889 -1.690 12.930 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.626 -0.865 13.126 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.545 -3.130 12.579 1.00 0.00 C ATOM 0 H VAL A 113 5.752 -1.759 12.007 1.00 0.00 H new ATOM 0 HA VAL A 113 3.192 -0.927 10.933 1.00 0.00 H new ATOM 0 HB VAL A 113 3.443 -1.692 13.869 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.009 -1.322 13.900 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.896 0.147 13.428 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.067 -0.828 12.191 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.915 -3.554 13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.012 -3.155 11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.462 -3.713 12.496 1.00 0.00 H new ATOM 1755 N PHE A 114 3.674 1.356 11.817 1.00 0.00 N ATOM 1756 CA PHE A 114 4.057 2.711 12.201 1.00 0.00 C ATOM 1757 C PHE A 114 2.885 3.440 12.852 1.00 0.00 C ATOM 1758 O PHE A 114 1.772 3.439 12.326 1.00 0.00 O ATOM 1759 CB PHE A 114 4.543 3.492 10.978 1.00 0.00 C ATOM 1760 CG PHE A 114 3.495 3.655 9.914 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.284 2.660 8.974 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.723 4.803 9.853 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.321 2.806 7.994 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.759 4.956 8.876 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.558 3.957 7.944 1.00 0.00 C ATOM 0 H PHE A 114 2.914 1.309 11.138 1.00 0.00 H new ATOM 0 HA PHE A 114 4.869 2.643 12.925 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.881 4.478 11.297 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.406 2.982 10.551 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.879 1.759 9.007 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.877 5.588 10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.165 2.022 7.268 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.163 5.856 8.841 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.806 4.075 7.178 1.00 0.00 H new ATOM 1775 N SER A 115 3.143 4.058 13.999 1.00 0.00 N ATOM 1776 CA SER A 115 2.108 4.788 14.723 1.00 0.00 C ATOM 1777 C SER A 115 2.219 6.288 14.469 1.00 0.00 C ATOM 1778 O SER A 115 3.305 6.863 14.547 1.00 0.00 O ATOM 1779 CB SER A 115 2.209 4.505 16.223 1.00 0.00 C ATOM 1780 OG SER A 115 1.084 5.015 16.915 1.00 0.00 O ATOM 0 H SER A 115 4.059 4.068 14.448 1.00 0.00 H new ATOM 0 HA SER A 115 1.138 4.447 14.360 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.286 3.430 16.389 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.119 4.955 16.621 1.00 0.00 H new ATOM 0 HG SER A 115 0.449 4.289 17.087 1.00 0.00 H new ATOM 1786 N ILE A 116 1.087 6.916 14.167 1.00 0.00 N ATOM 1787 CA ILE A 116 1.054 8.350 13.905 1.00 0.00 C ATOM 1788 C ILE A 116 0.470 9.108 15.093 1.00 0.00 C ATOM 1789 O ILE A 116 -0.227 8.530 15.928 1.00 0.00 O ATOM 1790 CB ILE A 116 0.222 8.676 12.649 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.591 7.730 11.502 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.431 10.125 12.237 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.445 6.655 11.251 1.00 0.00 C ATOM 0 H ILE A 116 0.180 6.454 14.098 1.00 0.00 H new ATOM 0 HA ILE A 116 2.084 8.665 13.741 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.833 8.534 12.884 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.728 8.312 10.591 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.548 7.257 11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.163 10.340 11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.121 10.783 13.049 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.485 10.292 12.018 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.119 6.021 10.426 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.565 6.049 12.149 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.398 7.120 10.997 1.00 0.00 H new ATOM 1805 N SER A 117 0.758 10.403 15.163 1.00 0.00 N ATOM 1806 CA SER A 117 0.257 11.236 16.250 1.00 0.00 C ATOM 1807 C SER A 117 0.195 12.701 15.829 1.00 0.00 C ATOM 1808 O SER A 117 0.539 13.047 14.700 1.00 0.00 O ATOM 1809 CB SER A 117 1.146 11.086 17.486 1.00 0.00 C ATOM 1810 OG SER A 117 2.406 11.702 17.287 1.00 0.00 O ATOM 0 H SER A 117 1.334 10.898 14.482 1.00 0.00 H new ATOM 0 HA SER A 117 -0.752 10.904 16.494 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.652 11.532 18.349 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.286 10.029 17.710 1.00 0.00 H new ATOM 0 HG SER A 117 2.954 11.593 18.092 1.00 0.00 H new ATOM 1816 N MET A 118 -0.249 13.556 16.744 1.00 0.00 N ATOM 1817 CA MET A 118 -0.356 14.984 16.466 1.00 0.00 C ATOM 1818 C MET A 118 0.004 15.805 17.702 1.00 0.00 C ATOM 1819 O MET A 118 -0.848 16.072 18.550 1.00 0.00 O ATOM 1820 CB MET A 118 -1.773 15.329 16.006 1.00 0.00 C ATOM 1821 CG MET A 118 -2.318 14.381 14.949 1.00 0.00 C ATOM 1822 SD MET A 118 -3.377 15.211 13.750 1.00 0.00 S ATOM 1823 CE MET A 118 -4.695 15.799 14.811 1.00 0.00 C ATOM 0 H MET A 118 -0.540 13.286 17.683 1.00 0.00 H new ATOM 0 HA MET A 118 0.347 15.229 15.670 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.439 15.319 16.869 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.780 16.344 15.610 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.486 13.908 14.427 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.882 13.585 15.436 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.658 15.577 14.351 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.632 15.302 15.779 1.00 0.00 H new ATOM 0 HE3 MET A 118 -4.598 16.876 14.949 1.00 0.00 H new ATOM 1833 N PRO A 119 1.280 16.215 17.826 1.00 0.00 N ATOM 1834 CA PRO A 119 1.748 17.002 18.969 1.00 0.00 C ATOM 1835 C PRO A 119 1.337 18.472 18.884 1.00 0.00 C ATOM 1836 O PRO A 119 1.622 19.256 19.789 1.00 0.00 O ATOM 1837 CB PRO A 119 3.267 16.868 18.879 1.00 0.00 C ATOM 1838 CG PRO A 119 3.542 16.692 17.427 1.00 0.00 C ATOM 1839 CD PRO A 119 2.366 15.935 16.866 1.00 0.00 C ATOM 0 HA PRO A 119 1.322 16.649 19.908 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.767 17.753 19.273 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.625 16.016 19.457 1.00 0.00 H new ATOM 0 HG2 PRO A 119 3.656 17.657 16.933 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.470 16.142 17.270 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.112 16.277 15.863 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.573 14.867 16.796 1.00 0.00 H new ATOM 1847 N SER A 120 0.670 18.844 17.793 1.00 0.00 N ATOM 1848 CA SER A 120 0.231 20.219 17.602 1.00 0.00 C ATOM 1849 C SER A 120 -1.286 20.337 17.738 1.00 0.00 C ATOM 1850 O SER A 120 -1.916 21.151 17.064 1.00 0.00 O ATOM 1851 CB SER A 120 0.669 20.731 16.229 1.00 0.00 C ATOM 1852 OG SER A 120 2.074 20.921 16.182 1.00 0.00 O ATOM 0 H SER A 120 0.424 18.212 17.031 1.00 0.00 H new ATOM 0 HA SER A 120 0.695 20.828 18.378 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.369 20.020 15.459 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.164 21.671 16.009 1.00 0.00 H new ATOM 0 HG SER A 120 2.331 21.247 15.294 1.00 0.00 H new ATOM 1858 N VAL A 121 -1.863 19.523 18.614 1.00 0.00 N ATOM 1859 CA VAL A 121 -3.303 19.538 18.839 1.00 0.00 C ATOM 1860 C VAL A 121 -3.653 18.897 20.183 1.00 0.00 C ATOM 1861 O VAL A 121 -3.848 19.595 21.179 1.00 0.00 O ATOM 1862 CB VAL A 121 -4.065 18.825 17.689 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -3.277 17.636 17.156 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -5.462 18.397 18.131 1.00 0.00 C ATOM 0 H VAL A 121 -1.355 18.844 19.181 1.00 0.00 H new ATOM 0 HA VAL A 121 -3.618 20.581 18.858 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.176 19.544 16.877 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.838 17.159 16.352 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.315 17.979 16.774 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.113 16.918 17.960 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.969 17.901 17.304 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.382 17.709 18.973 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -6.033 19.275 18.433 1.00 0.00 H new ATOM 1874 N ALA A 122 -3.730 17.573 20.205 1.00 0.00 N ATOM 1875 CA ALA A 122 -4.056 16.845 21.425 1.00 0.00 C ATOM 1876 C ALA A 122 -3.284 15.531 21.502 1.00 0.00 C ATOM 1877 O ALA A 122 -2.330 15.316 20.757 1.00 0.00 O ATOM 1878 CB ALA A 122 -5.553 16.588 21.500 1.00 0.00 C ATOM 0 H ALA A 122 -3.571 16.980 19.391 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.762 17.458 22.277 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.783 16.044 22.416 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -6.086 17.539 21.499 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.864 15.997 20.639 1.00 0.00 H new ATOM 1884 N GLN A 123 -3.705 14.656 22.411 1.00 0.00 N ATOM 1885 CA GLN A 123 -3.053 13.363 22.586 1.00 0.00 C ATOM 1886 C GLN A 123 -3.628 12.326 21.623 1.00 0.00 C ATOM 1887 O GLN A 123 -4.088 11.263 22.040 1.00 0.00 O ATOM 1888 CB GLN A 123 -3.213 12.881 24.030 1.00 0.00 C ATOM 1889 CG GLN A 123 -2.590 13.815 25.055 1.00 0.00 C ATOM 1890 CD GLN A 123 -3.022 13.495 26.473 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -3.526 14.358 27.191 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -2.826 12.247 26.884 1.00 0.00 N ATOM 0 H GLN A 123 -4.494 14.819 23.037 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.993 13.486 22.366 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -4.274 12.768 24.251 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -2.760 11.894 24.127 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -1.504 13.751 24.987 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -2.864 14.843 24.819 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -2.405 11.563 26.255 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -3.097 11.973 27.828 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.599 12.644 20.333 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.115 11.740 19.311 1.00 0.00 C ATOM 1903 C TRP A 124 -3.047 10.739 18.885 1.00 0.00 C ATOM 1904 O TRP A 124 -1.869 11.079 18.782 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.602 12.535 18.099 1.00 0.00 C ATOM 1906 CG TRP A 124 -5.902 13.240 18.333 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -6.071 14.540 18.718 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -7.216 12.687 18.200 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -7.411 14.827 18.832 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -8.133 13.706 18.519 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -7.707 11.429 17.840 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -9.511 13.505 18.489 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -9.074 11.229 17.811 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -9.963 12.263 18.133 1.00 0.00 C ATOM 0 H TRP A 124 -3.224 13.520 19.970 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.955 11.189 19.735 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -3.843 13.269 17.826 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.711 11.859 17.251 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -5.270 15.240 18.905 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -7.803 15.728 19.105 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -7.029 10.627 17.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -10.198 14.300 18.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -9.463 10.260 17.536 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -11.026 12.076 18.100 1.00 0.00 H new ATOM 1925 N SER A 125 -3.468 9.503 18.635 1.00 0.00 N ATOM 1926 CA SER A 125 -2.547 8.452 18.219 1.00 0.00 C ATOM 1927 C SER A 125 -3.270 7.380 17.411 1.00 0.00 C ATOM 1928 O SER A 125 -4.198 6.741 17.901 1.00 0.00 O ATOM 1929 CB SER A 125 -1.875 7.821 19.441 1.00 0.00 C ATOM 1930 OG SER A 125 -0.515 7.522 19.179 1.00 0.00 O ATOM 0 H SER A 125 -4.440 9.205 18.713 1.00 0.00 H new ATOM 0 HA SER A 125 -1.784 8.904 17.585 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.944 8.502 20.289 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.404 6.909 19.720 1.00 0.00 H new ATOM 0 HG SER A 125 -0.109 7.122 19.976 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.834 7.191 16.169 1.00 0.00 N ATOM 1937 CA LEU A 126 -3.439 6.195 15.293 1.00 0.00 C ATOM 1938 C LEU A 126 -2.373 5.294 14.676 1.00 0.00 C ATOM 1939 O LEU A 126 -1.431 5.773 14.046 1.00 0.00 O ATOM 1940 CB LEU A 126 -4.247 6.880 14.188 1.00 0.00 C ATOM 1941 CG LEU A 126 -3.468 7.901 13.355 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -4.194 8.185 12.048 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -3.261 9.185 14.143 1.00 0.00 C ATOM 0 H LEU A 126 -2.066 7.713 15.748 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.108 5.578 15.893 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.642 6.115 13.520 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -5.103 7.380 14.641 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.489 7.482 13.121 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.627 8.913 11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.290 7.261 11.477 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.185 8.584 12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.705 9.899 13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.229 9.610 14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.700 8.968 15.052 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.527 3.988 14.864 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.577 3.021 14.327 1.00 0.00 C ATOM 1957 C ASP A 127 -1.942 2.634 12.897 1.00 0.00 C ATOM 1958 O ASP A 127 -3.117 2.513 12.557 1.00 0.00 O ATOM 1959 CB ASP A 127 -1.534 1.773 15.212 1.00 0.00 C ATOM 1960 CG ASP A 127 -0.887 2.040 16.557 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -1.364 2.942 17.276 1.00 0.00 O ATOM 1962 OD2 ASP A 127 0.096 1.346 16.890 1.00 0.00 O ATOM 0 H ASP A 127 -3.301 3.575 15.384 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.591 3.485 14.316 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -2.548 1.405 15.366 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -0.984 0.985 14.698 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.923 2.441 12.065 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.136 2.066 10.671 1.00 0.00 C ATOM 1969 C VAL A 128 0.037 1.249 10.137 1.00 0.00 C ATOM 1970 O VAL A 128 1.193 1.518 10.464 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.331 3.307 9.778 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.814 2.900 8.395 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.303 4.283 10.423 1.00 0.00 C ATOM 0 H VAL A 128 0.057 2.538 12.331 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.042 1.461 10.641 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.369 3.807 9.669 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.946 3.790 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -1.078 2.243 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.765 2.375 8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.428 5.152 9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.267 3.795 10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.911 4.601 11.389 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.270 0.251 9.315 1.00 0.00 N ATOM 1984 CA ALA A 129 0.761 -0.606 8.739 1.00 0.00 C ATOM 1985 C ALA A 129 0.443 -0.949 7.288 1.00 0.00 C ATOM 1986 O ALA A 129 -0.673 -1.354 6.964 1.00 0.00 O ATOM 1987 CB ALA A 129 0.910 -1.876 9.561 1.00 0.00 C ATOM 0 H ALA A 129 -1.222 0.016 9.033 1.00 0.00 H new ATOM 0 HA ALA A 129 1.704 -0.060 8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.682 -2.506 9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.191 -1.618 10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.037 -2.416 9.571 1.00 0.00 H new ATOM 1993 N ALA A 130 1.433 -0.787 6.416 1.00 0.00 N ATOM 1994 CA ALA A 130 1.262 -1.082 4.998 1.00 0.00 C ATOM 1995 C ALA A 130 1.694 -2.510 4.683 1.00 0.00 C ATOM 1996 O ALA A 130 2.706 -2.988 5.193 1.00 0.00 O ATOM 1997 CB ALA A 130 2.047 -0.089 4.151 1.00 0.00 C ATOM 0 H ALA A 130 2.363 -0.453 6.667 1.00 0.00 H new ATOM 0 HA ALA A 130 0.204 -0.987 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.909 -0.323 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.689 0.921 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.106 -0.154 4.402 1.00 0.00 H new ATOM 2003 N ASP A 131 0.918 -3.189 3.842 1.00 0.00 N ATOM 2004 CA ASP A 131 1.221 -4.565 3.461 1.00 0.00 C ATOM 2005 C ASP A 131 2.629 -4.675 2.883 1.00 0.00 C ATOM 2006 O ASP A 131 3.350 -5.636 3.153 1.00 0.00 O ATOM 2007 CB ASP A 131 0.199 -5.072 2.443 1.00 0.00 C ATOM 2008 CG ASP A 131 0.308 -6.565 2.208 1.00 0.00 C ATOM 2009 OD1 ASP A 131 1.436 -7.048 1.970 1.00 0.00 O ATOM 2010 OD2 ASP A 131 -0.734 -7.253 2.263 1.00 0.00 O ATOM 0 H ASP A 131 0.075 -2.809 3.412 1.00 0.00 H new ATOM 0 HA ASP A 131 1.168 -5.182 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.806 -4.835 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.340 -4.547 1.498 1.00 0.00 H new ATOM 2015 N SER A 132 3.011 -3.683 2.090 1.00 0.00 N ATOM 2016 CA SER A 132 4.332 -3.659 1.474 1.00 0.00 C ATOM 2017 C SER A 132 5.326 -2.911 2.350 1.00 0.00 C ATOM 2018 O SER A 132 5.216 -1.699 2.536 1.00 0.00 O ATOM 2019 CB SER A 132 4.259 -3.008 0.090 1.00 0.00 C ATOM 2020 OG SER A 132 4.173 -3.987 -0.930 1.00 0.00 O ATOM 0 H SER A 132 2.424 -2.882 1.857 1.00 0.00 H new ATOM 0 HA SER A 132 4.675 -4.688 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.392 -2.349 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.141 -2.388 -0.070 1.00 0.00 H new ATOM 0 HG SER A 132 4.126 -3.546 -1.804 1.00 0.00 H new ATOM 2026 N GLN A 133 6.302 -3.641 2.883 1.00 0.00 N ATOM 2027 CA GLN A 133 7.325 -3.045 3.735 1.00 0.00 C ATOM 2028 C GLN A 133 7.894 -1.787 3.088 1.00 0.00 C ATOM 2029 O GLN A 133 8.335 -0.867 3.777 1.00 0.00 O ATOM 2030 CB GLN A 133 8.448 -4.051 4.001 1.00 0.00 C ATOM 2031 CG GLN A 133 9.033 -4.655 2.734 1.00 0.00 C ATOM 2032 CD GLN A 133 8.452 -6.019 2.417 1.00 0.00 C ATOM 2033 OE1 GLN A 133 7.935 -6.706 3.298 1.00 0.00 O ATOM 2034 NE2 GLN A 133 8.534 -6.419 1.153 1.00 0.00 N ATOM 0 H GLN A 133 6.405 -4.646 2.740 1.00 0.00 H new ATOM 0 HA GLN A 133 6.864 -2.771 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.243 -3.557 4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 133 8.065 -4.852 4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 133 8.849 -3.982 1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.114 -4.741 2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 133 8.971 -5.817 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.160 -7.328 0.880 1.00 0.00 H new ATOM 2043 N GLU A 134 7.869 -1.753 1.760 1.00 0.00 N ATOM 2044 CA GLU A 134 8.370 -0.603 1.019 1.00 0.00 C ATOM 2045 C GLU A 134 7.364 0.537 1.069 1.00 0.00 C ATOM 2046 O GLU A 134 7.726 1.691 1.298 1.00 0.00 O ATOM 2047 CB GLU A 134 8.660 -0.987 -0.433 1.00 0.00 C ATOM 2048 CG GLU A 134 9.712 -0.111 -1.096 1.00 0.00 C ATOM 2049 CD GLU A 134 10.556 -0.872 -2.098 1.00 0.00 C ATOM 2050 OE1 GLU A 134 11.078 -1.950 -1.741 1.00 0.00 O ATOM 2051 OE2 GLU A 134 10.696 -0.391 -3.243 1.00 0.00 O ATOM 0 H GLU A 134 7.508 -2.507 1.176 1.00 0.00 H new ATOM 0 HA GLU A 134 9.299 -0.272 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.990 -2.025 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.735 -0.928 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.221 0.723 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.360 0.315 -0.330 1.00 0.00 H new ATOM 2058 N GLU A 135 6.097 0.201 0.869 1.00 0.00 N ATOM 2059 CA GLU A 135 5.032 1.191 0.907 1.00 0.00 C ATOM 2060 C GLU A 135 4.900 1.761 2.315 1.00 0.00 C ATOM 2061 O GLU A 135 4.562 2.932 2.495 1.00 0.00 O ATOM 2062 CB GLU A 135 3.706 0.569 0.464 1.00 0.00 C ATOM 2063 CG GLU A 135 3.350 0.866 -0.983 1.00 0.00 C ATOM 2064 CD GLU A 135 2.703 -0.316 -1.679 1.00 0.00 C ATOM 2065 OE1 GLU A 135 1.927 -1.041 -1.020 1.00 0.00 O ATOM 2066 OE2 GLU A 135 2.972 -0.518 -2.881 1.00 0.00 O ATOM 0 H GLU A 135 5.782 -0.750 0.679 1.00 0.00 H new ATOM 0 HA GLU A 135 5.282 1.998 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.756 -0.511 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.908 0.937 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.673 1.719 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.252 1.152 -1.524 1.00 0.00 H new ATOM 2073 N LEU A 136 5.185 0.925 3.309 1.00 0.00 N ATOM 2074 CA LEU A 136 5.113 1.341 4.703 1.00 0.00 C ATOM 2075 C LEU A 136 6.193 2.369 5.006 1.00 0.00 C ATOM 2076 O LEU A 136 5.913 3.444 5.541 1.00 0.00 O ATOM 2077 CB LEU A 136 5.268 0.129 5.627 1.00 0.00 C ATOM 2078 CG LEU A 136 5.348 0.456 7.121 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.631 -0.606 7.941 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.800 0.584 7.558 1.00 0.00 C ATOM 0 H LEU A 136 5.468 -0.045 3.173 1.00 0.00 H new ATOM 0 HA LEU A 136 4.138 1.796 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.426 -0.543 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.169 -0.413 5.341 1.00 0.00 H new ATOM 0 HG LEU A 136 4.851 1.411 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.699 -0.356 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.583 -0.648 7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.097 -1.576 7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.841 0.817 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.320 -0.356 7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.281 1.383 6.993 1.00 0.00 H new ATOM 2092 N GLN A 137 7.427 2.039 4.649 1.00 0.00 N ATOM 2093 CA GLN A 137 8.550 2.940 4.871 1.00 0.00 C ATOM 2094 C GLN A 137 8.420 4.170 3.984 1.00 0.00 C ATOM 2095 O GLN A 137 8.777 5.279 4.382 1.00 0.00 O ATOM 2096 CB GLN A 137 9.874 2.226 4.593 1.00 0.00 C ATOM 2097 CG GLN A 137 10.174 1.099 5.569 1.00 0.00 C ATOM 2098 CD GLN A 137 10.659 1.607 6.913 1.00 0.00 C ATOM 2099 OE1 GLN A 137 11.334 2.632 6.996 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.318 0.887 7.975 1.00 0.00 N ATOM 0 H GLN A 137 7.676 1.155 4.205 1.00 0.00 H new ATOM 0 HA GLN A 137 8.540 3.255 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.854 1.823 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.685 2.954 4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 137 9.275 0.500 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 137 10.930 0.442 5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.757 0.043 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.617 1.178 8.906 1.00 0.00 H new ATOM 2109 N ASP A 138 7.893 3.964 2.781 1.00 0.00 N ATOM 2110 CA ASP A 138 7.700 5.057 1.839 1.00 0.00 C ATOM 2111 C ASP A 138 6.565 5.960 2.306 1.00 0.00 C ATOM 2112 O ASP A 138 6.570 7.164 2.047 1.00 0.00 O ATOM 2113 CB ASP A 138 7.395 4.511 0.444 1.00 0.00 C ATOM 2114 CG ASP A 138 7.613 5.544 -0.643 1.00 0.00 C ATOM 2115 OD1 ASP A 138 6.899 6.570 -0.638 1.00 0.00 O ATOM 2116 OD2 ASP A 138 8.496 5.330 -1.498 1.00 0.00 O ATOM 0 H ASP A 138 7.593 3.052 2.438 1.00 0.00 H new ATOM 0 HA ASP A 138 8.619 5.641 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.028 3.645 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.362 4.165 0.410 1.00 0.00 H new ATOM 2121 N TRP A 139 5.599 5.373 3.006 1.00 0.00 N ATOM 2122 CA TRP A 139 4.465 6.129 3.517 1.00 0.00 C ATOM 2123 C TRP A 139 4.920 7.101 4.596 1.00 0.00 C ATOM 2124 O TRP A 139 4.557 8.276 4.585 1.00 0.00 O ATOM 2125 CB TRP A 139 3.393 5.189 4.076 1.00 0.00 C ATOM 2126 CG TRP A 139 2.168 5.121 3.218 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.101 4.684 1.928 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.837 5.506 3.583 1.00 0.00 C ATOM 2129 NE1 TRP A 139 0.810 4.774 1.466 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.015 5.276 2.464 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.261 6.023 4.747 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.351 5.544 2.476 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.094 6.289 4.757 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.887 6.049 3.628 1.00 0.00 C ATOM 0 H TRP A 139 5.580 4.378 3.231 1.00 0.00 H new ATOM 0 HA TRP A 139 4.033 6.694 2.691 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.813 4.189 4.179 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.112 5.521 5.075 1.00 0.00 H new ATOM 0 HD1 TRP A 139 2.940 4.320 1.353 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.494 4.510 0.533 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.865 6.211 5.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.965 5.360 1.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.550 6.689 5.651 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.944 6.267 3.668 1.00 0.00 H new ATOM 2145 N VAL A 140 5.725 6.600 5.525 1.00 0.00 N ATOM 2146 CA VAL A 140 6.241 7.423 6.612 1.00 0.00 C ATOM 2147 C VAL A 140 7.095 8.561 6.070 1.00 0.00 C ATOM 2148 O VAL A 140 6.958 9.711 6.490 1.00 0.00 O ATOM 2149 CB VAL A 140 7.078 6.591 7.601 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.457 7.425 8.815 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.320 5.339 8.019 1.00 0.00 C ATOM 0 H VAL A 140 6.035 5.628 5.548 1.00 0.00 H new ATOM 0 HA VAL A 140 5.380 7.833 7.139 1.00 0.00 H new ATOM 0 HB VAL A 140 7.997 6.282 7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.048 6.820 9.502 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.042 8.287 8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.553 7.767 9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.926 4.763 8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.384 5.624 8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.106 4.732 7.139 1.00 0.00 H new ATOM 2161 N LYS A 141 7.972 8.233 5.132 1.00 0.00 N ATOM 2162 CA LYS A 141 8.849 9.225 4.527 1.00 0.00 C ATOM 2163 C LYS A 141 8.039 10.278 3.781 1.00 0.00 C ATOM 2164 O LYS A 141 8.383 11.460 3.790 1.00 0.00 O ATOM 2165 CB LYS A 141 9.842 8.551 3.576 1.00 0.00 C ATOM 2166 CG LYS A 141 11.282 8.989 3.792 1.00 0.00 C ATOM 2167 CD LYS A 141 12.247 8.151 2.970 1.00 0.00 C ATOM 2168 CE LYS A 141 12.224 8.550 1.504 1.00 0.00 C ATOM 2169 NZ LYS A 141 12.650 7.434 0.616 1.00 0.00 N ATOM 0 H LYS A 141 8.095 7.286 4.773 1.00 0.00 H new ATOM 0 HA LYS A 141 9.406 9.718 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.777 7.470 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.554 8.770 2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.389 10.039 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.535 8.905 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 141 13.257 8.267 3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.987 7.097 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.218 8.867 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.881 9.406 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 12.620 7.748 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.620 7.148 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.008 6.625 0.742 1.00 0.00 H new ATOM 2183 N LYS A 142 6.958 9.846 3.144 1.00 0.00 N ATOM 2184 CA LYS A 142 6.100 10.761 2.405 1.00 0.00 C ATOM 2185 C LYS A 142 5.430 11.738 3.355 1.00 0.00 C ATOM 2186 O LYS A 142 5.574 12.950 3.209 1.00 0.00 O ATOM 2187 CB LYS A 142 5.046 9.988 1.607 1.00 0.00 C ATOM 2188 CG LYS A 142 4.171 10.876 0.735 1.00 0.00 C ATOM 2189 CD LYS A 142 4.978 11.548 -0.364 1.00 0.00 C ATOM 2190 CE LYS A 142 5.427 10.547 -1.418 1.00 0.00 C ATOM 2191 NZ LYS A 142 6.138 11.209 -2.547 1.00 0.00 N ATOM 0 H LYS A 142 6.656 8.872 3.124 1.00 0.00 H new ATOM 0 HA LYS A 142 6.718 11.322 1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.546 9.253 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 142 4.412 9.434 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 142 3.375 10.279 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 142 3.692 11.636 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 142 4.377 12.327 -0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 142 5.850 12.036 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 142 6.083 9.807 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 142 4.559 10.009 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 6.070 10.614 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 5.703 12.134 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 7.139 11.342 -2.297 1.00 0.00 H new ATOM 2205 N ILE A 143 4.715 11.211 4.346 1.00 0.00 N ATOM 2206 CA ILE A 143 4.054 12.059 5.329 1.00 0.00 C ATOM 2207 C ILE A 143 5.052 13.060 5.898 1.00 0.00 C ATOM 2208 O ILE A 143 4.695 14.188 6.246 1.00 0.00 O ATOM 2209 CB ILE A 143 3.443 11.230 6.479 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.432 10.225 5.925 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.783 12.139 7.508 1.00 0.00 C ATOM 2212 CD1 ILE A 143 1.844 9.315 6.982 1.00 0.00 C ATOM 0 H ILE A 143 4.580 10.210 4.488 1.00 0.00 H new ATOM 0 HA ILE A 143 3.243 12.585 4.824 1.00 0.00 H new ATOM 0 HB ILE A 143 4.245 10.683 6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.624 10.768 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.917 9.616 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.359 11.534 8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.527 12.820 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.990 12.715 7.030 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.136 8.629 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 143 2.643 8.746 7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.330 9.915 7.733 1.00 0.00 H new ATOM 2224 N ARG A 144 6.310 12.638 5.974 1.00 0.00 N ATOM 2225 CA ARG A 144 7.374 13.491 6.483 1.00 0.00 C ATOM 2226 C ARG A 144 7.817 14.486 5.416 1.00 0.00 C ATOM 2227 O ARG A 144 8.249 15.595 5.733 1.00 0.00 O ATOM 2228 CB ARG A 144 8.563 12.643 6.937 1.00 0.00 C ATOM 2229 CG ARG A 144 8.429 12.118 8.356 1.00 0.00 C ATOM 2230 CD ARG A 144 9.264 10.867 8.568 1.00 0.00 C ATOM 2231 NE ARG A 144 9.523 10.613 9.983 1.00 0.00 N ATOM 2232 CZ ARG A 144 10.483 9.804 10.429 1.00 0.00 C ATOM 2233 NH1 ARG A 144 11.276 9.172 9.575 1.00 0.00 N ATOM 2234 NH2 ARG A 144 10.648 9.628 11.733 1.00 0.00 N ATOM 0 H ARG A 144 6.616 11.708 5.688 1.00 0.00 H new ATOM 0 HA ARG A 144 6.991 14.046 7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.678 11.800 6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.473 13.239 6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.741 12.889 9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.382 11.898 8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.749 10.010 8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 144 10.212 10.970 8.039 1.00 0.00 H new ATOM 0 HE ARG A 144 8.934 11.083 10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 144 11.153 9.304 8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 144 12.009 8.554 9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 144 10.040 10.112 12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 144 11.383 9.009 12.075 1.00 0.00 H new ATOM 2248 N GLU A 145 7.706 14.090 4.147 1.00 0.00 N ATOM 2249 CA GLU A 145 8.098 14.962 3.046 1.00 0.00 C ATOM 2250 C GLU A 145 7.036 16.027 2.795 1.00 0.00 C ATOM 2251 O GLU A 145 7.355 17.168 2.467 1.00 0.00 O ATOM 2252 CB GLU A 145 8.336 14.145 1.773 1.00 0.00 C ATOM 2253 CG GLU A 145 9.480 14.667 0.920 1.00 0.00 C ATOM 2254 CD GLU A 145 10.018 13.621 -0.036 1.00 0.00 C ATOM 2255 OE1 GLU A 145 10.827 12.776 0.401 1.00 0.00 O ATOM 2256 OE2 GLU A 145 9.632 13.649 -1.224 1.00 0.00 O ATOM 0 H GLU A 145 7.350 13.178 3.861 1.00 0.00 H new ATOM 0 HA GLU A 145 9.028 15.459 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.542 13.111 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.423 14.141 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.139 15.532 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.286 15.009 1.569 1.00 0.00 H new ATOM 2263 N VAL A 146 5.777 15.649 2.965 1.00 0.00 N ATOM 2264 CA VAL A 146 4.673 16.579 2.772 1.00 0.00 C ATOM 2265 C VAL A 146 4.515 17.473 3.995 1.00 0.00 C ATOM 2266 O VAL A 146 4.062 18.613 3.894 1.00 0.00 O ATOM 2267 CB VAL A 146 3.346 15.845 2.504 1.00 0.00 C ATOM 2268 CG1 VAL A 146 3.320 15.285 1.091 1.00 0.00 C ATOM 2269 CG2 VAL A 146 3.129 14.739 3.527 1.00 0.00 C ATOM 0 H VAL A 146 5.495 14.707 3.236 1.00 0.00 H new ATOM 0 HA VAL A 146 4.911 17.185 1.898 1.00 0.00 H new ATOM 0 HB VAL A 146 2.531 16.563 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 146 2.374 14.770 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.423 16.100 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 146 4.144 14.583 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 146 2.186 14.232 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.947 14.022 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 146 3.098 15.170 4.528 1.00 0.00 H new ATOM 2279 N ALA A 147 4.906 16.947 5.152 1.00 0.00 N ATOM 2280 CA ALA A 147 4.824 17.695 6.398 1.00 0.00 C ATOM 2281 C ALA A 147 5.914 18.756 6.461 1.00 0.00 C ATOM 2282 O ALA A 147 5.694 19.858 6.965 1.00 0.00 O ATOM 2283 CB ALA A 147 4.934 16.752 7.585 1.00 0.00 C ATOM 0 H ALA A 147 5.283 16.004 5.250 1.00 0.00 H new ATOM 0 HA ALA A 147 3.857 18.196 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.871 17.324 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.121 16.027 7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.889 16.228 7.546 1.00 0.00 H new ATOM 2289 N GLN A 148 7.090 18.419 5.940 1.00 0.00 N ATOM 2290 CA GLN A 148 8.213 19.349 5.934 1.00 0.00 C ATOM 2291 C GLN A 148 7.991 20.471 4.920 1.00 0.00 C ATOM 2292 O GLN A 148 8.696 21.480 4.935 1.00 0.00 O ATOM 2293 CB GLN A 148 9.519 18.612 5.625 1.00 0.00 C ATOM 2294 CG GLN A 148 9.514 17.890 4.289 1.00 0.00 C ATOM 2295 CD GLN A 148 10.774 17.076 4.063 1.00 0.00 C ATOM 2296 OE1 GLN A 148 11.304 16.460 4.988 1.00 0.00 O ATOM 2297 NE2 GLN A 148 11.262 17.072 2.827 1.00 0.00 N ATOM 0 H GLN A 148 7.289 17.512 5.518 1.00 0.00 H new ATOM 0 HA GLN A 148 8.285 19.793 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.341 19.328 5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.714 17.889 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 148 8.646 17.232 4.239 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.408 18.619 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.790 17.597 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.108 16.544 2.615 1.00 0.00 H new ATOM 2306 N THR A 149 7.003 20.293 4.045 1.00 0.00 N ATOM 2307 CA THR A 149 6.689 21.297 3.034 1.00 0.00 C ATOM 2308 C THR A 149 5.400 22.027 3.390 1.00 0.00 C ATOM 2309 O THR A 149 5.281 23.236 3.199 1.00 0.00 O ATOM 2310 CB THR A 149 6.548 20.651 1.654 1.00 0.00 C ATOM 2311 OG1 THR A 149 5.299 19.991 1.537 1.00 0.00 O ATOM 2312 CG2 THR A 149 7.630 19.640 1.349 1.00 0.00 C ATOM 0 H THR A 149 6.408 19.465 4.017 1.00 0.00 H new ATOM 0 HA THR A 149 7.510 22.014 3.006 1.00 0.00 H new ATOM 0 HB THR A 149 6.633 21.472 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 149 5.121 19.480 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 149 7.468 19.222 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 149 8.604 20.128 1.383 1.00 0.00 H new ATOM 0 HG23 THR A 149 7.599 18.840 2.089 1.00 0.00 H new ATOM 2320 N ALA A 150 4.435 21.274 3.910 1.00 0.00 N ATOM 2321 CA ALA A 150 3.148 21.837 4.296 1.00 0.00 C ATOM 2322 C ALA A 150 2.490 22.566 3.129 1.00 0.00 C ATOM 2323 O ALA A 150 1.391 23.125 3.325 1.00 0.00 O ATOM 2324 CB ALA A 150 3.315 22.775 5.482 1.00 0.00 C ATOM 2325 OXT ALA A 150 3.080 22.571 2.029 1.00 0.00 O ATOM 0 H ALA A 150 4.522 20.271 4.073 1.00 0.00 H new ATOM 0 HA ALA A 150 2.495 21.014 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.345 23.188 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 150 3.729 22.224 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.991 23.586 5.212 1.00 0.00 H new