USER MOD reduce.3.24.130724 H: found=0, std=0, add=1225, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1222 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 134 LYS NZ :NH3+ -117:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 143 GLN :FLIP amide:sc= -9.1! C(o=-13!,f=-7.9!) USER MOD Set 2.1: A 98 THR OG1 : rot -63:sc= 1.13 USER MOD Set 2.2: A 101 CYS SG : rot -63:sc= 0.469! USER MOD Set 3.1: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 59 HIS : no HD1:sc= 0.0444 K(o=-0.25,f=-3.3!) USER MOD Set 4.2: A 78 SER OG : rot -100:sc= -0.294 USER MOD Set 5.1: A 35 LYS NZ :NH3+ -167:sc= -1.54 (180deg=0) USER MOD Set 5.2: A 36 ASN :FLIP amide:sc= -5.93! C(o=-16!,f=-12!) USER MOD Set 5.3: A 144 LYS NZ :NH3+ 151:sc= -4.86! (180deg=-5.14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.098 (180deg=-0.826) USER MOD Single : A 7 THR OG1 : rot 52:sc= 0.043! USER MOD Single : A 8 THR OG1 : rot 160:sc= -0.0019 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-2.4) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= -0.0102 (180deg=-3.33!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0212 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.0524 USER MOD Single : A 44 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.86) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0.242 (180deg=0.224) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 73 SER OG : rot -113:sc= -0.925! USER MOD Single : A 80 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.069) USER MOD Single : A 85 MET CE :methyl 142:sc= -0.125 (180deg=-1.86!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -43:sc= -0.376 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -45:sc= 0.0312 USER MOD Single : A 110 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 111 ASN : amide:sc= -1.64! C(o=-1.6!,f=-5.3!) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 113 ASN : amide:sc= -3.89! C(o=-3.9!,f=-5.7!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 115 TYR OH : rot 30:sc= -0.0031 USER MOD Single : A 117 SER OG : rot 174:sc= -0.109 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot -150:sc= -0.444 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot -23:sc= 0.996 USER MOD Single : A 132 GLN : amide:sc= -0.0845 X(o=-0.085,f=-0.49) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 140:sc= -3.74! USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 151 MET CE :methyl -147:sc= 0 (180deg=-1.56!) USER MOD Single : A 152 SER OG : rot 180:sc= -0.318 USER MOD Single : A 154 LYS NZ :NH3+ -117:sc= -3.44! (180deg=-5.23!) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.262 15.311 -7.797 1.00 0.00 N ATOM 2 CA MET A 1 19.715 13.984 -8.200 1.00 0.00 C ATOM 3 C MET A 1 18.314 13.810 -7.610 1.00 0.00 C ATOM 4 O MET A 1 17.325 13.851 -8.313 1.00 0.00 O ATOM 5 CB MET A 1 20.630 12.876 -7.675 1.00 0.00 C ATOM 6 CG MET A 1 22.035 13.055 -8.256 1.00 0.00 C ATOM 7 SD MET A 1 22.473 11.598 -9.236 1.00 0.00 S ATOM 8 CE MET A 1 23.858 11.044 -8.213 1.00 0.00 C ATOM 0 H1 MET A 1 20.856 15.689 -8.563 1.00 0.00 H new ATOM 0 H2 MET A 1 19.477 15.968 -7.611 1.00 0.00 H new ATOM 0 H3 MET A 1 20.835 15.203 -6.936 1.00 0.00 H new ATOM 0 HA MET A 1 19.661 13.927 -9.287 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.669 12.907 -6.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.232 11.900 -7.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.072 13.949 -8.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.757 13.196 -7.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.288 10.139 -8.642 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.618 11.824 -8.176 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.504 10.835 -7.204 1.00 0.00 H new ATOM 20 N ALA A 2 18.223 13.614 -6.322 1.00 0.00 N ATOM 21 CA ALA A 2 16.885 13.438 -5.690 1.00 0.00 C ATOM 22 C ALA A 2 16.970 13.805 -4.207 1.00 0.00 C ATOM 23 O ALA A 2 17.641 13.151 -3.433 1.00 0.00 O ATOM 24 CB ALA A 2 16.444 11.979 -5.829 1.00 0.00 C ATOM 0 H ALA A 2 19.016 13.568 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 2 16.161 14.086 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.465 11.849 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.385 11.716 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.168 11.331 -5.334 1.00 0.00 H new ATOM 30 N GLU A 3 16.295 14.847 -3.805 1.00 0.00 N ATOM 31 CA GLU A 3 16.338 15.254 -2.372 1.00 0.00 C ATOM 32 C GLU A 3 15.198 14.575 -1.612 1.00 0.00 C ATOM 33 O GLU A 3 14.352 15.226 -1.031 1.00 0.00 O ATOM 34 CB GLU A 3 16.186 16.774 -2.268 1.00 0.00 C ATOM 35 CG GLU A 3 17.528 17.444 -2.566 1.00 0.00 C ATOM 36 CD GLU A 3 17.977 17.082 -3.983 1.00 0.00 C ATOM 37 OE1 GLU A 3 17.625 17.808 -4.898 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.665 16.086 -4.128 1.00 0.00 O ATOM 0 H GLU A 3 15.716 15.433 -4.406 1.00 0.00 H new ATOM 0 HA GLU A 3 17.292 14.953 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.430 17.123 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.845 17.048 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.436 18.526 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.276 17.121 -1.842 1.00 0.00 H new ATOM 45 N GLY A 4 15.166 13.270 -1.612 1.00 0.00 N ATOM 46 CA GLY A 4 14.079 12.552 -0.887 1.00 0.00 C ATOM 47 C GLY A 4 14.151 12.888 0.604 1.00 0.00 C ATOM 48 O GLY A 4 14.488 13.992 0.985 1.00 0.00 O ATOM 0 H GLY A 4 15.845 12.671 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.108 12.840 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.179 11.476 -1.033 1.00 0.00 H new ATOM 52 N GLU A 5 13.839 11.946 1.452 1.00 0.00 N ATOM 53 CA GLU A 5 13.891 12.215 2.917 1.00 0.00 C ATOM 54 C GLU A 5 15.265 11.816 3.461 1.00 0.00 C ATOM 55 O GLU A 5 16.146 12.639 3.605 1.00 0.00 O ATOM 56 CB GLU A 5 12.797 11.410 3.623 1.00 0.00 C ATOM 57 CG GLU A 5 12.755 11.794 5.103 1.00 0.00 C ATOM 58 CD GLU A 5 11.528 11.159 5.761 1.00 0.00 C ATOM 59 OE1 GLU A 5 11.642 10.033 6.217 1.00 0.00 O ATOM 60 OE2 GLU A 5 10.497 11.809 5.798 1.00 0.00 O ATOM 0 H GLU A 5 13.551 11.002 1.194 1.00 0.00 H new ATOM 0 HA GLU A 5 13.728 13.277 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.830 11.605 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.992 10.343 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.664 11.458 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.716 12.878 5.207 1.00 0.00 H new ATOM 67 N ILE A 6 15.454 10.559 3.760 1.00 0.00 N ATOM 68 CA ILE A 6 16.771 10.102 4.292 1.00 0.00 C ATOM 69 C ILE A 6 17.602 9.509 3.151 1.00 0.00 C ATOM 70 O ILE A 6 17.935 8.342 3.157 1.00 0.00 O ATOM 71 CB ILE A 6 16.547 9.032 5.363 1.00 0.00 C ATOM 72 CG1 ILE A 6 15.789 9.639 6.547 1.00 0.00 C ATOM 73 CG2 ILE A 6 17.898 8.502 5.845 1.00 0.00 C ATOM 74 CD1 ILE A 6 14.383 9.039 6.615 1.00 0.00 C ATOM 0 H ILE A 6 14.751 9.827 3.659 1.00 0.00 H new ATOM 0 HA ILE A 6 17.299 10.950 4.729 1.00 0.00 H new ATOM 0 HB ILE A 6 15.963 8.215 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.325 9.442 7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.729 10.722 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 6 17.739 7.740 6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.439 8.067 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.481 9.321 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.843 9.471 7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.849 9.259 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 6 14.454 7.959 6.745 1.00 0.00 H new ATOM 86 N THR A 7 17.937 10.306 2.173 1.00 0.00 N ATOM 87 CA THR A 7 18.746 9.789 1.032 1.00 0.00 C ATOM 88 C THR A 7 18.133 8.483 0.520 1.00 0.00 C ATOM 89 O THR A 7 18.407 7.416 1.035 1.00 0.00 O ATOM 90 CB THR A 7 20.181 9.531 1.496 1.00 0.00 C ATOM 91 OG1 THR A 7 20.168 9.061 2.837 1.00 0.00 O ATOM 92 CG2 THR A 7 20.986 10.829 1.417 1.00 0.00 C ATOM 0 H THR A 7 17.686 11.293 2.115 1.00 0.00 H new ATOM 0 HA THR A 7 18.752 10.527 0.230 1.00 0.00 H new ATOM 0 HB THR A 7 20.641 8.781 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 7 19.552 8.303 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.008 10.644 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 7 20.997 11.188 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 7 20.527 11.581 2.059 1.00 0.00 H new ATOM 100 N THR A 8 17.306 8.560 -0.489 1.00 0.00 N ATOM 101 CA THR A 8 16.670 7.328 -1.038 1.00 0.00 C ATOM 102 C THR A 8 16.626 7.415 -2.565 1.00 0.00 C ATOM 103 O THR A 8 15.865 8.177 -3.128 1.00 0.00 O ATOM 104 CB THR A 8 15.245 7.202 -0.493 1.00 0.00 C ATOM 105 OG1 THR A 8 15.255 7.427 0.909 1.00 0.00 O ATOM 106 CG2 THR A 8 14.707 5.800 -0.785 1.00 0.00 C ATOM 0 H THR A 8 17.043 9.427 -0.958 1.00 0.00 H new ATOM 0 HA THR A 8 17.251 6.455 -0.740 1.00 0.00 H new ATOM 0 HB THR A 8 14.604 7.941 -0.974 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.353 7.665 1.209 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.692 5.711 -0.397 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.699 5.630 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.345 5.058 -0.305 1.00 0.00 H new ATOM 114 N LEU A 9 17.434 6.634 -3.233 1.00 0.00 N ATOM 115 CA LEU A 9 17.448 6.657 -4.727 1.00 0.00 C ATOM 116 C LEU A 9 16.702 5.419 -5.250 1.00 0.00 C ATOM 117 O LEU A 9 16.485 4.484 -4.503 1.00 0.00 O ATOM 118 CB LEU A 9 18.896 6.638 -5.240 1.00 0.00 C ATOM 119 CG LEU A 9 19.874 6.583 -4.068 1.00 0.00 C ATOM 120 CD1 LEU A 9 21.298 6.415 -4.601 1.00 0.00 C ATOM 121 CD2 LEU A 9 19.786 7.882 -3.262 1.00 0.00 C ATOM 0 H LEU A 9 18.088 5.978 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 9 16.960 7.565 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.047 5.776 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.088 7.527 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 9 19.620 5.739 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 9 21.997 6.376 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 9 21.365 5.490 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 9 21.548 7.259 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 9 20.485 7.840 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 9 20.038 8.726 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.772 8.006 -2.881 1.00 0.00 H new ATOM 133 N PRO A 10 16.329 5.431 -6.512 1.00 0.00 N ATOM 134 CA PRO A 10 15.612 4.290 -7.112 1.00 0.00 C ATOM 135 C PRO A 10 16.435 3.009 -6.964 1.00 0.00 C ATOM 136 O PRO A 10 17.458 2.839 -7.598 1.00 0.00 O ATOM 137 CB PRO A 10 15.448 4.659 -8.594 1.00 0.00 C ATOM 138 CG PRO A 10 16.074 6.061 -8.801 1.00 0.00 C ATOM 139 CD PRO A 10 16.585 6.554 -7.439 1.00 0.00 C ATOM 0 HA PRO A 10 14.652 4.105 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.941 3.922 -9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.394 4.666 -8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.891 6.012 -9.520 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.335 6.753 -9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.646 6.800 -7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.061 7.456 -7.122 1.00 0.00 H new ATOM 147 N ALA A 11 15.998 2.105 -6.129 1.00 0.00 N ATOM 148 CA ALA A 11 16.756 0.836 -5.940 1.00 0.00 C ATOM 149 C ALA A 11 15.824 -0.234 -5.367 1.00 0.00 C ATOM 150 O ALA A 11 14.630 -0.039 -5.260 1.00 0.00 O ATOM 151 CB ALA A 11 17.915 1.074 -4.971 1.00 0.00 C ATOM 0 H ALA A 11 15.149 2.191 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 11 17.148 0.500 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.470 0.146 -4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.579 1.836 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.523 1.409 -4.011 1.00 0.00 H new ATOM 157 N LEU A 12 16.361 -1.365 -4.998 1.00 0.00 N ATOM 158 CA LEU A 12 15.506 -2.447 -4.433 1.00 0.00 C ATOM 159 C LEU A 12 16.354 -3.362 -3.540 1.00 0.00 C ATOM 160 O LEU A 12 16.585 -4.505 -3.882 1.00 0.00 O ATOM 161 CB LEU A 12 14.914 -3.270 -5.579 1.00 0.00 C ATOM 162 CG LEU A 12 13.879 -4.248 -5.024 1.00 0.00 C ATOM 163 CD1 LEU A 12 12.480 -3.824 -5.476 1.00 0.00 C ATOM 164 CD2 LEU A 12 14.177 -5.656 -5.546 1.00 0.00 C ATOM 0 H LEU A 12 17.355 -1.586 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 12 14.705 -2.005 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.450 -2.610 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.704 -3.815 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 12 13.925 -4.245 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.742 -4.522 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.266 -2.821 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.433 -3.826 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.439 -6.354 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.131 -5.658 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.173 -5.960 -5.224 1.00 0.00 H new ATOM 176 N PRO A 13 16.799 -2.839 -2.422 1.00 0.00 N ATOM 177 CA PRO A 13 17.629 -3.612 -1.479 1.00 0.00 C ATOM 178 C PRO A 13 16.836 -4.798 -0.925 1.00 0.00 C ATOM 179 O PRO A 13 15.630 -4.744 -0.792 1.00 0.00 O ATOM 180 CB PRO A 13 17.977 -2.624 -0.357 1.00 0.00 C ATOM 181 CG PRO A 13 17.305 -1.269 -0.696 1.00 0.00 C ATOM 182 CD PRO A 13 16.521 -1.450 -2.004 1.00 0.00 C ATOM 0 HA PRO A 13 18.521 -4.022 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.623 -2.997 0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 13 19.057 -2.505 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.639 -0.961 0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 13 18.056 -0.487 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.454 -1.289 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.845 -0.737 -2.762 1.00 0.00 H new ATOM 190 N GLU A 14 17.505 -5.871 -0.601 1.00 0.00 N ATOM 191 CA GLU A 14 16.790 -7.060 -0.056 1.00 0.00 C ATOM 192 C GLU A 14 17.810 -8.121 0.360 1.00 0.00 C ATOM 193 O GLU A 14 18.198 -8.964 -0.424 1.00 0.00 O ATOM 194 CB GLU A 14 15.864 -7.635 -1.130 1.00 0.00 C ATOM 195 CG GLU A 14 15.368 -9.014 -0.691 1.00 0.00 C ATOM 196 CD GLU A 14 13.951 -9.241 -1.222 1.00 0.00 C ATOM 197 OE1 GLU A 14 13.035 -8.641 -0.684 1.00 0.00 O ATOM 198 OE2 GLU A 14 13.806 -10.011 -2.157 1.00 0.00 O ATOM 0 H GLU A 14 18.516 -5.976 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 14 16.200 -6.764 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.018 -6.967 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.394 -7.713 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.037 -9.789 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.376 -9.085 0.397 1.00 0.00 H new ATOM 205 N ASP A 15 18.249 -8.087 1.588 1.00 0.00 N ATOM 206 CA ASP A 15 19.243 -9.095 2.054 1.00 0.00 C ATOM 207 C ASP A 15 18.510 -10.297 2.653 1.00 0.00 C ATOM 208 O ASP A 15 19.003 -11.407 2.638 1.00 0.00 O ATOM 209 CB ASP A 15 20.148 -8.466 3.116 1.00 0.00 C ATOM 210 CG ASP A 15 20.369 -6.988 2.789 1.00 0.00 C ATOM 211 OD1 ASP A 15 20.312 -6.646 1.619 1.00 0.00 O ATOM 212 OD2 ASP A 15 20.592 -6.224 3.713 1.00 0.00 O ATOM 0 H ASP A 15 17.962 -7.404 2.289 1.00 0.00 H new ATOM 0 HA ASP A 15 19.849 -9.425 1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 15 19.694 -8.567 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 15 21.104 -8.989 3.150 1.00 0.00 H new ATOM 217 N GLY A 16 17.336 -10.084 3.182 1.00 0.00 N ATOM 218 CA GLY A 16 16.574 -11.215 3.782 1.00 0.00 C ATOM 219 C GLY A 16 15.648 -11.826 2.728 1.00 0.00 C ATOM 220 O GLY A 16 14.454 -11.934 2.924 1.00 0.00 O ATOM 0 H GLY A 16 16.872 -9.177 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 16 17.262 -11.972 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.991 -10.863 4.633 1.00 0.00 H new ATOM 224 N GLY A 17 16.190 -12.226 1.610 1.00 0.00 N ATOM 225 CA GLY A 17 15.341 -12.829 0.544 1.00 0.00 C ATOM 226 C GLY A 17 14.677 -14.099 1.077 1.00 0.00 C ATOM 227 O GLY A 17 13.800 -14.049 1.916 1.00 0.00 O ATOM 0 H GLY A 17 17.184 -12.161 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.581 -12.116 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.948 -13.063 -0.330 1.00 0.00 H new ATOM 231 N SER A 18 15.088 -15.241 0.596 1.00 0.00 N ATOM 232 CA SER A 18 14.479 -16.515 1.075 1.00 0.00 C ATOM 233 C SER A 18 12.976 -16.498 0.794 1.00 0.00 C ATOM 234 O SER A 18 12.165 -16.667 1.684 1.00 0.00 O ATOM 235 CB SER A 18 14.714 -16.657 2.580 1.00 0.00 C ATOM 236 OG SER A 18 14.628 -18.029 2.941 1.00 0.00 O ATOM 0 H SER A 18 15.819 -15.347 -0.108 1.00 0.00 H new ATOM 0 HA SER A 18 14.937 -17.356 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 18 15.694 -16.260 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.974 -16.077 3.132 1.00 0.00 H new ATOM 0 HG SER A 18 14.780 -18.124 3.905 1.00 0.00 H new ATOM 242 N GLY A 19 12.595 -16.298 -0.438 1.00 0.00 N ATOM 243 CA GLY A 19 11.144 -16.272 -0.775 1.00 0.00 C ATOM 244 C GLY A 19 10.554 -14.913 -0.392 1.00 0.00 C ATOM 245 O GLY A 19 9.732 -14.362 -1.097 1.00 0.00 O ATOM 0 H GLY A 19 13.226 -16.151 -1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.004 -16.453 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.623 -17.069 -0.245 1.00 0.00 H new ATOM 249 N ALA A 20 10.966 -14.370 0.721 1.00 0.00 N ATOM 250 CA ALA A 20 10.428 -13.048 1.146 1.00 0.00 C ATOM 251 C ALA A 20 8.944 -13.189 1.496 1.00 0.00 C ATOM 252 O ALA A 20 8.287 -12.231 1.849 1.00 0.00 O ATOM 253 CB ALA A 20 10.591 -12.039 0.008 1.00 0.00 C ATOM 0 H ALA A 20 11.651 -14.784 1.353 1.00 0.00 H new ATOM 0 HA ALA A 20 10.976 -12.698 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.197 -11.072 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.648 -11.938 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.045 -12.388 -0.868 1.00 0.00 H new ATOM 259 N PHE A 21 8.414 -14.377 1.400 1.00 0.00 N ATOM 260 CA PHE A 21 6.976 -14.577 1.726 1.00 0.00 C ATOM 261 C PHE A 21 6.778 -14.733 3.246 1.00 0.00 C ATOM 262 O PHE A 21 5.899 -14.106 3.801 1.00 0.00 O ATOM 263 CB PHE A 21 6.445 -15.817 1.002 1.00 0.00 C ATOM 264 CG PHE A 21 5.319 -15.417 0.079 1.00 0.00 C ATOM 265 CD1 PHE A 21 4.035 -15.204 0.594 1.00 0.00 C ATOM 266 CD2 PHE A 21 5.559 -15.258 -1.291 1.00 0.00 C ATOM 267 CE1 PHE A 21 2.991 -14.833 -0.262 1.00 0.00 C ATOM 268 CE2 PHE A 21 4.515 -14.888 -2.146 1.00 0.00 C ATOM 269 CZ PHE A 21 3.230 -14.675 -1.631 1.00 0.00 C ATOM 0 H PHE A 21 8.915 -15.217 1.110 1.00 0.00 H new ATOM 0 HA PHE A 21 6.421 -13.700 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.246 -16.290 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.092 -16.551 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.850 -15.326 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.550 -15.421 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.000 -14.669 0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.700 -14.767 -3.203 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.424 -14.389 -2.291 1.00 0.00 H new ATOM 279 N PRO A 22 7.579 -15.564 3.889 1.00 0.00 N ATOM 280 CA PRO A 22 7.444 -15.776 5.344 1.00 0.00 C ATOM 281 C PRO A 22 7.818 -14.488 6.094 1.00 0.00 C ATOM 282 O PRO A 22 8.367 -13.578 5.504 1.00 0.00 O ATOM 283 CB PRO A 22 8.434 -16.902 5.671 1.00 0.00 C ATOM 284 CG PRO A 22 9.155 -17.294 4.358 1.00 0.00 C ATOM 285 CD PRO A 22 8.660 -16.349 3.253 1.00 0.00 C ATOM 0 HA PRO A 22 6.427 -16.033 5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.155 -16.572 6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.911 -17.761 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.235 -17.212 4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.941 -18.331 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.462 -15.703 2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.291 -16.906 2.391 1.00 0.00 H new ATOM 293 N PRO A 23 7.518 -14.441 7.373 1.00 0.00 N ATOM 294 CA PRO A 23 7.834 -13.261 8.199 1.00 0.00 C ATOM 295 C PRO A 23 9.335 -12.964 8.145 1.00 0.00 C ATOM 296 O PRO A 23 10.064 -13.545 7.366 1.00 0.00 O ATOM 297 CB PRO A 23 7.411 -13.649 9.622 1.00 0.00 C ATOM 298 CG PRO A 23 6.825 -15.082 9.565 1.00 0.00 C ATOM 299 CD PRO A 23 6.852 -15.541 8.099 1.00 0.00 C ATOM 0 HA PRO A 23 7.322 -12.364 7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.265 -13.612 10.298 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.670 -12.948 10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.409 -15.759 10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.806 -15.094 9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.399 -16.477 7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 23 5.845 -15.713 7.719 1.00 0.00 H new ATOM 307 N GLY A 24 9.801 -12.063 8.965 1.00 0.00 N ATOM 308 CA GLY A 24 11.253 -11.730 8.960 1.00 0.00 C ATOM 309 C GLY A 24 11.578 -10.883 7.728 1.00 0.00 C ATOM 310 O GLY A 24 12.591 -11.070 7.083 1.00 0.00 O ATOM 0 H GLY A 24 9.239 -11.543 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.515 -11.187 9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.847 -12.644 8.953 1.00 0.00 H new ATOM 314 N HIS A 25 10.727 -9.951 7.397 1.00 0.00 N ATOM 315 CA HIS A 25 10.987 -9.093 6.207 1.00 0.00 C ATOM 316 C HIS A 25 10.198 -7.789 6.339 1.00 0.00 C ATOM 317 O HIS A 25 9.928 -7.116 5.363 1.00 0.00 O ATOM 318 CB HIS A 25 10.546 -9.830 4.941 1.00 0.00 C ATOM 319 CG HIS A 25 11.272 -9.264 3.752 1.00 0.00 C ATOM 320 ND1 HIS A 25 12.650 -9.126 3.722 1.00 0.00 N ATOM 321 CD2 HIS A 25 10.823 -8.795 2.541 1.00 0.00 C ATOM 322 CE1 HIS A 25 12.980 -8.596 2.531 1.00 0.00 C ATOM 323 NE2 HIS A 25 11.903 -8.373 1.773 1.00 0.00 N ATOM 0 H HIS A 25 9.863 -9.747 7.899 1.00 0.00 H new ATOM 0 HA HIS A 25 12.052 -8.870 6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.757 -10.895 5.036 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.469 -9.729 4.805 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.789 -8.759 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 25 13.992 -8.377 2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.878 -7.978 0.833 1.00 0.00 H new ATOM 331 N PHE A 26 9.825 -7.433 7.541 1.00 0.00 N ATOM 332 CA PHE A 26 9.049 -6.177 7.755 1.00 0.00 C ATOM 333 C PHE A 26 9.660 -5.399 8.922 1.00 0.00 C ATOM 334 O PHE A 26 8.962 -4.840 9.743 1.00 0.00 O ATOM 335 CB PHE A 26 7.602 -6.535 8.087 1.00 0.00 C ATOM 336 CG PHE A 26 7.030 -7.381 6.977 1.00 0.00 C ATOM 337 CD1 PHE A 26 7.274 -8.759 6.951 1.00 0.00 C ATOM 338 CD2 PHE A 26 6.258 -6.789 5.971 1.00 0.00 C ATOM 339 CE1 PHE A 26 6.747 -9.545 5.920 1.00 0.00 C ATOM 340 CE2 PHE A 26 5.730 -7.573 4.940 1.00 0.00 C ATOM 341 CZ PHE A 26 5.975 -8.952 4.914 1.00 0.00 C ATOM 0 H PHE A 26 10.027 -7.963 8.389 1.00 0.00 H new ATOM 0 HA PHE A 26 9.079 -5.565 6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.557 -7.076 9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.010 -5.628 8.210 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.870 -9.216 7.727 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.070 -5.726 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.936 -10.608 5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.134 -7.115 4.164 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.568 -9.558 4.118 1.00 0.00 H new ATOM 351 N LYS A 27 10.962 -5.365 9.005 1.00 0.00 N ATOM 352 CA LYS A 27 11.619 -4.630 10.124 1.00 0.00 C ATOM 353 C LYS A 27 11.887 -3.182 9.704 1.00 0.00 C ATOM 354 O LYS A 27 12.661 -2.481 10.325 1.00 0.00 O ATOM 355 CB LYS A 27 12.943 -5.312 10.473 1.00 0.00 C ATOM 356 CG LYS A 27 13.470 -6.065 9.249 1.00 0.00 C ATOM 357 CD LYS A 27 14.946 -6.410 9.458 1.00 0.00 C ATOM 358 CE LYS A 27 15.119 -7.125 10.800 1.00 0.00 C ATOM 359 NZ LYS A 27 16.432 -7.832 10.819 1.00 0.00 N ATOM 0 H LYS A 27 11.599 -5.814 8.347 1.00 0.00 H new ATOM 0 HA LYS A 27 10.963 -4.638 10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.672 -4.569 10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.800 -6.003 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.892 -6.975 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.352 -5.454 8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.300 -7.046 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.549 -5.502 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.069 -6.405 11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.308 -7.837 10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.551 -8.318 11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.462 -8.529 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.200 -7.142 10.692 1.00 0.00 H new ATOM 373 N ASP A 28 11.255 -2.725 8.657 1.00 0.00 N ATOM 374 CA ASP A 28 11.481 -1.321 8.210 1.00 0.00 C ATOM 375 C ASP A 28 10.245 -0.833 7.428 1.00 0.00 C ATOM 376 O ASP A 28 9.561 -1.638 6.828 1.00 0.00 O ATOM 377 CB ASP A 28 12.713 -1.279 7.301 1.00 0.00 C ATOM 378 CG ASP A 28 13.981 -1.277 8.156 1.00 0.00 C ATOM 379 OD1 ASP A 28 14.436 -0.199 8.501 1.00 0.00 O ATOM 380 OD2 ASP A 28 14.474 -2.352 8.452 1.00 0.00 O ATOM 0 H ASP A 28 10.595 -3.261 8.094 1.00 0.00 H new ATOM 0 HA ASP A 28 11.642 -0.676 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.714 -2.140 6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.684 -0.388 6.673 1.00 0.00 H new ATOM 385 N PRO A 29 9.983 0.464 7.435 1.00 0.00 N ATOM 386 CA PRO A 29 8.827 1.014 6.702 1.00 0.00 C ATOM 387 C PRO A 29 8.925 0.658 5.216 1.00 0.00 C ATOM 388 O PRO A 29 9.923 0.138 4.757 1.00 0.00 O ATOM 389 CB PRO A 29 8.917 2.534 6.896 1.00 0.00 C ATOM 390 CG PRO A 29 10.177 2.825 7.746 1.00 0.00 C ATOM 391 CD PRO A 29 10.790 1.477 8.152 1.00 0.00 C ATOM 0 HA PRO A 29 7.881 0.612 7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.980 3.040 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.024 2.910 7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.895 3.415 7.176 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.916 3.408 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.841 1.419 7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.742 1.330 9.231 1.00 0.00 H new ATOM 399 N LYS A 30 7.898 0.936 4.461 1.00 0.00 N ATOM 400 CA LYS A 30 7.934 0.617 3.005 1.00 0.00 C ATOM 401 C LYS A 30 7.110 1.650 2.236 1.00 0.00 C ATOM 402 O LYS A 30 5.966 1.907 2.553 1.00 0.00 O ATOM 403 CB LYS A 30 7.344 -0.777 2.772 1.00 0.00 C ATOM 404 CG LYS A 30 8.135 -1.810 3.576 1.00 0.00 C ATOM 405 CD LYS A 30 7.749 -3.218 3.117 1.00 0.00 C ATOM 406 CE LYS A 30 7.885 -4.194 4.286 1.00 0.00 C ATOM 407 NZ LYS A 30 9.292 -4.188 4.777 1.00 0.00 N ATOM 0 H LYS A 30 7.035 1.370 4.789 1.00 0.00 H new ATOM 0 HA LYS A 30 8.966 0.639 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.296 -0.794 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.377 -1.024 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.205 -1.652 3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.929 -1.694 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.725 -3.222 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.389 -3.531 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.207 -3.911 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.603 -5.198 3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.622 -5.167 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.898 -3.700 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.339 -3.692 5.690 1.00 0.00 H new ATOM 421 N ARG A 31 7.681 2.245 1.224 1.00 0.00 N ATOM 422 CA ARG A 31 6.927 3.259 0.435 1.00 0.00 C ATOM 423 C ARG A 31 6.099 2.550 -0.638 1.00 0.00 C ATOM 424 O ARG A 31 6.627 1.857 -1.484 1.00 0.00 O ATOM 425 CB ARG A 31 7.910 4.223 -0.232 1.00 0.00 C ATOM 426 CG ARG A 31 8.765 4.905 0.840 1.00 0.00 C ATOM 427 CD ARG A 31 9.504 6.095 0.219 1.00 0.00 C ATOM 428 NE ARG A 31 10.953 6.076 0.609 1.00 0.00 N ATOM 429 CZ ARG A 31 11.320 5.880 1.850 1.00 0.00 C ATOM 430 NH1 ARG A 31 10.428 5.769 2.794 1.00 0.00 N ATOM 431 NH2 ARG A 31 12.590 5.819 2.147 1.00 0.00 N ATOM 0 H ARG A 31 8.636 2.073 0.910 1.00 0.00 H new ATOM 0 HA ARG A 31 6.266 3.819 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.548 3.682 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.367 4.971 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.135 5.243 1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.480 4.196 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.413 6.061 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.045 7.027 0.548 1.00 0.00 H new ATOM 0 HE ARG A 31 11.666 6.219 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.436 5.835 2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.723 5.616 3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.291 5.924 1.413 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.881 5.666 3.113 1.00 0.00 H new ATOM 445 N LEU A 32 4.804 2.716 -0.610 1.00 0.00 N ATOM 446 CA LEU A 32 3.946 2.047 -1.629 1.00 0.00 C ATOM 447 C LEU A 32 3.884 2.905 -2.893 1.00 0.00 C ATOM 448 O LEU A 32 3.210 3.916 -2.935 1.00 0.00 O ATOM 449 CB LEU A 32 2.535 1.865 -1.066 1.00 0.00 C ATOM 450 CG LEU A 32 2.620 1.309 0.356 1.00 0.00 C ATOM 451 CD1 LEU A 32 1.209 1.073 0.897 1.00 0.00 C ATOM 452 CD2 LEU A 32 3.385 -0.016 0.340 1.00 0.00 C ATOM 0 H LEU A 32 4.304 3.285 0.073 1.00 0.00 H new ATOM 0 HA LEU A 32 4.369 1.073 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.007 2.819 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.964 1.186 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 32 3.140 2.023 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.270 0.677 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.661 2.015 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.689 0.359 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.446 -0.413 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.864 -0.729 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.391 0.149 -0.046 1.00 0.00 H new ATOM 464 N TYR A 33 4.584 2.504 -3.924 1.00 0.00 N ATOM 465 CA TYR A 33 4.575 3.285 -5.195 1.00 0.00 C ATOM 466 C TYR A 33 3.706 2.568 -6.230 1.00 0.00 C ATOM 467 O TYR A 33 3.935 1.420 -6.559 1.00 0.00 O ATOM 468 CB TYR A 33 6.005 3.401 -5.727 1.00 0.00 C ATOM 469 CG TYR A 33 5.976 3.903 -7.151 1.00 0.00 C ATOM 470 CD1 TYR A 33 5.405 5.149 -7.440 1.00 0.00 C ATOM 471 CD2 TYR A 33 6.520 3.127 -8.184 1.00 0.00 C ATOM 472 CE1 TYR A 33 5.378 5.618 -8.760 1.00 0.00 C ATOM 473 CE2 TYR A 33 6.493 3.597 -9.502 1.00 0.00 C ATOM 474 CZ TYR A 33 5.921 4.842 -9.790 1.00 0.00 C ATOM 475 OH TYR A 33 5.893 5.304 -11.089 1.00 0.00 O ATOM 0 H TYR A 33 5.164 1.665 -3.938 1.00 0.00 H new ATOM 0 HA TYR A 33 4.171 4.280 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.582 4.082 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.500 2.431 -5.683 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.986 5.748 -6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.960 2.166 -7.963 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.938 6.579 -8.983 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.914 2.999 -10.297 1.00 0.00 H new ATOM 0 HH TYR A 33 6.312 4.644 -11.680 1.00 0.00 H new ATOM 485 N CYS A 34 2.711 3.235 -6.749 1.00 0.00 N ATOM 486 CA CYS A 34 1.832 2.591 -7.766 1.00 0.00 C ATOM 487 C CYS A 34 2.409 2.837 -9.161 1.00 0.00 C ATOM 488 O CYS A 34 2.843 3.926 -9.479 1.00 0.00 O ATOM 489 CB CYS A 34 0.427 3.191 -7.680 1.00 0.00 C ATOM 490 SG CYS A 34 -0.670 2.326 -8.831 1.00 0.00 S ATOM 0 H CYS A 34 2.469 4.197 -6.513 1.00 0.00 H new ATOM 0 HA CYS A 34 1.779 1.519 -7.577 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.045 3.105 -6.663 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.458 4.254 -7.920 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.864 2.834 -8.757 1.00 0.00 H new ATOM 496 N LYS A 35 2.421 1.835 -9.997 1.00 0.00 N ATOM 497 CA LYS A 35 2.976 2.016 -11.369 1.00 0.00 C ATOM 498 C LYS A 35 1.914 2.640 -12.277 1.00 0.00 C ATOM 499 O LYS A 35 2.226 3.288 -13.257 1.00 0.00 O ATOM 500 CB LYS A 35 3.392 0.656 -11.934 1.00 0.00 C ATOM 501 CG LYS A 35 4.361 0.865 -13.100 1.00 0.00 C ATOM 502 CD LYS A 35 4.227 -0.292 -14.095 1.00 0.00 C ATOM 503 CE LYS A 35 3.138 0.036 -15.118 1.00 0.00 C ATOM 504 NZ LYS A 35 3.001 -1.095 -16.078 1.00 0.00 N ATOM 0 H LYS A 35 2.071 0.900 -9.790 1.00 0.00 H new ATOM 0 HA LYS A 35 3.844 2.674 -11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.865 0.056 -11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.514 0.106 -12.271 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.149 1.812 -13.597 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.384 0.922 -12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.177 -0.461 -14.602 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.979 -1.213 -13.567 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.190 0.213 -14.611 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.390 0.952 -15.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.430 -0.792 -16.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.943 -1.388 -16.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.534 -1.896 -15.607 1.00 0.00 H new ATOM 518 N ASN A 36 0.662 2.446 -11.966 1.00 0.00 N ATOM 519 CA ASN A 36 -0.414 3.025 -12.817 1.00 0.00 C ATOM 520 C ASN A 36 -0.516 4.532 -12.566 1.00 0.00 C ATOM 521 O ASN A 36 -1.028 4.969 -11.555 1.00 0.00 O ATOM 522 CB ASN A 36 -1.748 2.360 -12.473 1.00 0.00 C ATOM 523 CG ASN A 36 -1.829 0.995 -13.159 1.00 0.00 C ATOM 524 OD1 ASN A 36 -0.766 0.238 -13.205 1.00 0.00 O flip ATOM 525 ND2 ASN A 36 -2.868 0.613 -13.659 1.00 0.00 N flip ATOM 0 H ASN A 36 0.338 1.912 -11.160 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.178 2.849 -13.867 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.840 2.242 -11.393 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.575 2.991 -12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.699 1.204 -13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.910 -0.299 -14.114 1.00 0.00 H new ATOM 532 N GLY A 37 -0.036 5.328 -13.482 1.00 0.00 N ATOM 533 CA GLY A 37 -0.108 6.806 -13.299 1.00 0.00 C ATOM 534 C GLY A 37 1.006 7.265 -12.358 1.00 0.00 C ATOM 535 O GLY A 37 1.087 8.422 -11.994 1.00 0.00 O ATOM 0 H GLY A 37 0.403 5.019 -14.349 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.012 7.306 -14.263 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.080 7.084 -12.891 1.00 0.00 H new ATOM 539 N GLY A 38 1.868 6.370 -11.959 1.00 0.00 N ATOM 540 CA GLY A 38 2.976 6.760 -11.042 1.00 0.00 C ATOM 541 C GLY A 38 2.416 7.594 -9.887 1.00 0.00 C ATOM 542 O GLY A 38 2.385 8.808 -9.946 1.00 0.00 O ATOM 0 H GLY A 38 1.853 5.386 -12.228 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.471 5.870 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.728 7.332 -11.586 1.00 0.00 H new ATOM 546 N PHE A 39 1.972 6.952 -8.839 1.00 0.00 N ATOM 547 CA PHE A 39 1.414 7.708 -7.679 1.00 0.00 C ATOM 548 C PHE A 39 1.791 7.003 -6.375 1.00 0.00 C ATOM 549 O PHE A 39 1.706 5.796 -6.263 1.00 0.00 O ATOM 550 CB PHE A 39 -0.110 7.771 -7.798 1.00 0.00 C ATOM 551 CG PHE A 39 -0.495 8.846 -8.785 1.00 0.00 C ATOM 552 CD1 PHE A 39 -0.560 10.183 -8.374 1.00 0.00 C ATOM 553 CD2 PHE A 39 -0.792 8.504 -10.109 1.00 0.00 C ATOM 554 CE1 PHE A 39 -0.920 11.178 -9.290 1.00 0.00 C ATOM 555 CE2 PHE A 39 -1.152 9.500 -11.024 1.00 0.00 C ATOM 556 CZ PHE A 39 -1.216 10.837 -10.615 1.00 0.00 C ATOM 0 H PHE A 39 1.971 5.937 -8.736 1.00 0.00 H new ATOM 0 HA PHE A 39 1.824 8.718 -7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.500 6.807 -8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.553 7.981 -6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.333 10.446 -7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.743 7.472 -10.425 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.969 12.210 -8.974 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.381 9.237 -12.046 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.494 11.605 -11.321 1.00 0.00 H new ATOM 566 N PHE A 40 2.202 7.750 -5.385 1.00 0.00 N ATOM 567 CA PHE A 40 2.579 7.129 -4.084 1.00 0.00 C ATOM 568 C PHE A 40 1.382 7.182 -3.132 1.00 0.00 C ATOM 569 O PHE A 40 0.834 8.235 -2.870 1.00 0.00 O ATOM 570 CB PHE A 40 3.748 7.901 -3.468 1.00 0.00 C ATOM 571 CG PHE A 40 5.008 7.623 -4.252 1.00 0.00 C ATOM 572 CD1 PHE A 40 5.185 8.192 -5.519 1.00 0.00 C ATOM 573 CD2 PHE A 40 6.001 6.797 -3.710 1.00 0.00 C ATOM 574 CE1 PHE A 40 6.354 7.934 -6.245 1.00 0.00 C ATOM 575 CE2 PHE A 40 7.170 6.540 -4.436 1.00 0.00 C ATOM 576 CZ PHE A 40 7.347 7.109 -5.704 1.00 0.00 C ATOM 0 H PHE A 40 2.293 8.765 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 40 2.873 6.092 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.534 8.970 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.883 7.607 -2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.420 8.830 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.865 6.359 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.490 8.372 -7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.936 5.903 -4.019 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.249 6.911 -6.264 1.00 0.00 H new ATOM 586 N LEU A 41 0.971 6.059 -2.610 1.00 0.00 N ATOM 587 CA LEU A 41 -0.188 6.057 -1.676 1.00 0.00 C ATOM 588 C LEU A 41 0.094 7.024 -0.524 1.00 0.00 C ATOM 589 O LEU A 41 1.217 7.162 -0.081 1.00 0.00 O ATOM 590 CB LEU A 41 -0.393 4.645 -1.122 1.00 0.00 C ATOM 591 CG LEU A 41 -1.738 4.564 -0.389 1.00 0.00 C ATOM 592 CD1 LEU A 41 -2.885 4.377 -1.391 1.00 0.00 C ATOM 593 CD2 LEU A 41 -1.718 3.379 0.579 1.00 0.00 C ATOM 0 H LEU A 41 1.387 5.145 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.088 6.371 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.367 3.919 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.419 4.391 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.895 5.493 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.832 4.321 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.908 5.221 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.731 3.455 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.673 3.320 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.551 2.457 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.916 3.515 1.304 1.00 0.00 H new ATOM 605 N ARG A 42 -0.912 7.698 -0.040 1.00 0.00 N ATOM 606 CA ARG A 42 -0.692 8.658 1.079 1.00 0.00 C ATOM 607 C ARG A 42 -1.937 8.710 1.968 1.00 0.00 C ATOM 608 O ARG A 42 -3.013 9.058 1.525 1.00 0.00 O ATOM 609 CB ARG A 42 -0.420 10.051 0.506 1.00 0.00 C ATOM 610 CG ARG A 42 0.129 10.958 1.607 1.00 0.00 C ATOM 611 CD ARG A 42 -0.222 12.413 1.294 1.00 0.00 C ATOM 612 NE ARG A 42 0.456 13.310 2.271 1.00 0.00 N ATOM 613 CZ ARG A 42 0.551 14.589 2.028 1.00 0.00 C ATOM 614 NH1 ARG A 42 0.057 15.081 0.925 1.00 0.00 N ATOM 615 NH2 ARG A 42 1.141 15.374 2.886 1.00 0.00 N ATOM 0 H ARG A 42 -1.875 7.626 -0.369 1.00 0.00 H new ATOM 0 HA ARG A 42 0.162 8.331 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.294 9.985 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.338 10.473 0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.290 10.671 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.210 10.842 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.088 12.663 0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.302 12.556 1.342 1.00 0.00 H new ATOM 0 HE ARG A 42 0.846 12.924 3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.403 14.466 0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.131 16.080 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.528 14.989 3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.215 16.373 2.696 1.00 0.00 H new ATOM 629 N ILE A 43 -1.795 8.373 3.221 1.00 0.00 N ATOM 630 CA ILE A 43 -2.966 8.409 4.143 1.00 0.00 C ATOM 631 C ILE A 43 -2.989 9.755 4.870 1.00 0.00 C ATOM 632 O ILE A 43 -2.004 10.175 5.445 1.00 0.00 O ATOM 633 CB ILE A 43 -2.848 7.278 5.166 1.00 0.00 C ATOM 634 CG1 ILE A 43 -2.789 5.935 4.435 1.00 0.00 C ATOM 635 CG2 ILE A 43 -4.064 7.299 6.094 1.00 0.00 C ATOM 636 CD1 ILE A 43 -2.370 4.837 5.417 1.00 0.00 C ATOM 0 H ILE A 43 -0.918 8.074 3.647 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.886 8.283 3.572 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.940 7.414 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.762 5.700 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.080 5.989 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.979 6.493 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.108 8.256 6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.972 7.163 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.328 3.880 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.387 5.071 5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.096 4.777 6.228 1.00 0.00 H new ATOM 648 N HIS A 44 -4.101 10.438 4.848 1.00 0.00 N ATOM 649 CA HIS A 44 -4.175 11.758 5.536 1.00 0.00 C ATOM 650 C HIS A 44 -4.671 11.550 6.981 1.00 0.00 C ATOM 651 O HIS A 44 -5.395 10.608 7.235 1.00 0.00 O ATOM 652 CB HIS A 44 -5.158 12.656 4.778 1.00 0.00 C ATOM 653 CG HIS A 44 -4.477 13.228 3.565 1.00 0.00 C ATOM 654 ND1 HIS A 44 -3.342 14.018 3.657 1.00 0.00 N ATOM 655 CD2 HIS A 44 -4.757 13.129 2.224 1.00 0.00 C ATOM 656 CE1 HIS A 44 -2.984 14.360 2.406 1.00 0.00 C ATOM 657 NE2 HIS A 44 -3.813 13.844 1.495 1.00 0.00 N ATOM 0 H HIS A 44 -4.959 10.140 4.385 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.191 12.226 5.557 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.036 12.083 4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.507 13.460 5.426 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.584 12.579 1.800 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.130 14.977 2.168 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -3.764 13.951 0.482 1.00 0.00 H new ATOM 665 N PRO A 45 -4.287 12.424 7.897 1.00 0.00 N ATOM 666 CA PRO A 45 -4.723 12.300 9.302 1.00 0.00 C ATOM 667 C PRO A 45 -6.253 12.297 9.386 1.00 0.00 C ATOM 668 O PRO A 45 -6.832 11.733 10.293 1.00 0.00 O ATOM 669 CB PRO A 45 -4.152 13.539 10.007 1.00 0.00 C ATOM 670 CG PRO A 45 -3.373 14.363 8.953 1.00 0.00 C ATOM 671 CD PRO A 45 -3.407 13.583 7.630 1.00 0.00 C ATOM 0 HA PRO A 45 -4.377 11.373 9.759 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.954 14.135 10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.494 13.245 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.824 15.347 8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.344 14.522 9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.797 14.197 6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.408 13.262 7.335 1.00 0.00 H new ATOM 679 N ASP A 46 -6.911 12.924 8.449 1.00 0.00 N ATOM 680 CA ASP A 46 -8.400 12.957 8.482 1.00 0.00 C ATOM 681 C ASP A 46 -8.952 11.595 8.056 1.00 0.00 C ATOM 682 O ASP A 46 -10.148 11.396 7.978 1.00 0.00 O ATOM 683 CB ASP A 46 -8.908 14.034 7.521 1.00 0.00 C ATOM 684 CG ASP A 46 -8.434 13.717 6.102 1.00 0.00 C ATOM 685 OD1 ASP A 46 -7.725 12.737 5.941 1.00 0.00 O ATOM 686 OD2 ASP A 46 -8.788 14.459 5.200 1.00 0.00 O ATOM 0 H ASP A 46 -6.482 13.414 7.664 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.734 13.184 9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.997 14.078 7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.541 15.013 7.828 1.00 0.00 H new ATOM 691 N GLY A 47 -8.090 10.654 7.782 1.00 0.00 N ATOM 692 CA GLY A 47 -8.568 9.306 7.364 1.00 0.00 C ATOM 693 C GLY A 47 -8.721 9.265 5.842 1.00 0.00 C ATOM 694 O GLY A 47 -8.541 8.238 5.219 1.00 0.00 O ATOM 0 H GLY A 47 -7.077 10.760 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.862 8.542 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.522 9.083 7.842 1.00 0.00 H new ATOM 698 N ARG A 48 -9.053 10.373 5.239 1.00 0.00 N ATOM 699 CA ARG A 48 -9.218 10.394 3.758 1.00 0.00 C ATOM 700 C ARG A 48 -7.990 9.761 3.099 1.00 0.00 C ATOM 701 O ARG A 48 -6.882 10.239 3.243 1.00 0.00 O ATOM 702 CB ARG A 48 -9.366 11.840 3.279 1.00 0.00 C ATOM 703 CG ARG A 48 -10.778 12.340 3.592 1.00 0.00 C ATOM 704 CD ARG A 48 -11.652 12.213 2.343 1.00 0.00 C ATOM 705 NE ARG A 48 -13.088 12.286 2.732 1.00 0.00 N ATOM 706 CZ ARG A 48 -14.001 12.499 1.824 1.00 0.00 C ATOM 707 NH1 ARG A 48 -13.655 12.649 0.574 1.00 0.00 N ATOM 708 NH2 ARG A 48 -15.259 12.563 2.164 1.00 0.00 N ATOM 0 H ARG A 48 -9.217 11.264 5.707 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.109 9.829 3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.627 12.474 3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.177 11.900 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.207 11.761 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -10.743 13.379 3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.414 13.009 1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.449 11.269 1.838 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.358 12.169 3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.672 12.600 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.368 12.815 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.530 12.447 3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.972 12.730 1.453 1.00 0.00 H new ATOM 722 N VAL A 49 -8.177 8.690 2.379 1.00 0.00 N ATOM 723 CA VAL A 49 -7.021 8.027 1.712 1.00 0.00 C ATOM 724 C VAL A 49 -6.846 8.600 0.305 1.00 0.00 C ATOM 725 O VAL A 49 -7.802 8.980 -0.344 1.00 0.00 O ATOM 726 CB VAL A 49 -7.277 6.522 1.621 1.00 0.00 C ATOM 727 CG1 VAL A 49 -6.079 5.838 0.961 1.00 0.00 C ATOM 728 CG2 VAL A 49 -7.478 5.953 3.028 1.00 0.00 C ATOM 0 H VAL A 49 -9.081 8.245 2.223 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.116 8.207 2.293 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.171 6.342 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.262 4.765 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.936 6.242 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.184 6.018 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.661 4.880 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.584 6.134 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.333 6.439 3.498 1.00 0.00 H new ATOM 738 N ASP A 50 -5.635 8.663 -0.175 1.00 0.00 N ATOM 739 CA ASP A 50 -5.402 9.210 -1.540 1.00 0.00 C ATOM 740 C ASP A 50 -3.956 8.936 -1.960 1.00 0.00 C ATOM 741 O ASP A 50 -3.279 8.108 -1.384 1.00 0.00 O ATOM 742 CB ASP A 50 -5.656 10.719 -1.536 1.00 0.00 C ATOM 743 CG ASP A 50 -4.620 11.409 -0.647 1.00 0.00 C ATOM 744 OD1 ASP A 50 -4.421 10.948 0.466 1.00 0.00 O ATOM 745 OD2 ASP A 50 -4.042 12.386 -1.093 1.00 0.00 O ATOM 0 H ASP A 50 -4.796 8.359 0.320 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.081 8.730 -2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.598 11.111 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.661 10.928 -1.171 1.00 0.00 H new ATOM 750 N GLY A 51 -3.479 9.627 -2.958 1.00 0.00 N ATOM 751 CA GLY A 51 -2.077 9.409 -3.414 1.00 0.00 C ATOM 752 C GLY A 51 -1.488 10.731 -3.909 1.00 0.00 C ATOM 753 O GLY A 51 -2.206 11.647 -4.260 1.00 0.00 O ATOM 0 H GLY A 51 -3.999 10.334 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.475 9.015 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.055 8.667 -4.213 1.00 0.00 H new ATOM 757 N VAL A 52 -0.188 10.838 -3.938 1.00 0.00 N ATOM 758 CA VAL A 52 0.445 12.103 -4.410 1.00 0.00 C ATOM 759 C VAL A 52 1.761 11.781 -5.119 1.00 0.00 C ATOM 760 O VAL A 52 2.482 10.881 -4.732 1.00 0.00 O ATOM 761 CB VAL A 52 0.722 13.013 -3.211 1.00 0.00 C ATOM 762 CG1 VAL A 52 -0.585 13.283 -2.463 1.00 0.00 C ATOM 763 CG2 VAL A 52 1.714 12.327 -2.270 1.00 0.00 C ATOM 0 H VAL A 52 0.463 10.105 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.227 12.609 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 52 1.143 13.956 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.388 13.931 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.294 13.770 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.006 12.340 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.912 12.974 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.292 11.384 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.645 12.133 -2.802 1.00 0.00 H new ATOM 773 N ARG A 53 2.081 12.506 -6.155 1.00 0.00 N ATOM 774 CA ARG A 53 3.351 12.241 -6.887 1.00 0.00 C ATOM 775 C ARG A 53 4.531 12.755 -6.060 1.00 0.00 C ATOM 776 O ARG A 53 5.676 12.626 -6.447 1.00 0.00 O ATOM 777 CB ARG A 53 3.321 12.957 -8.238 1.00 0.00 C ATOM 778 CG ARG A 53 2.475 12.148 -9.224 1.00 0.00 C ATOM 779 CD ARG A 53 1.985 13.062 -10.349 1.00 0.00 C ATOM 780 NE ARG A 53 3.156 13.618 -11.083 1.00 0.00 N ATOM 781 CZ ARG A 53 2.989 14.175 -12.251 1.00 0.00 C ATOM 782 NH1 ARG A 53 1.796 14.245 -12.777 1.00 0.00 N ATOM 783 NH2 ARG A 53 4.014 14.661 -12.896 1.00 0.00 N ATOM 0 H ARG A 53 1.518 13.271 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 53 3.461 11.169 -7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.906 13.958 -8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.334 13.074 -8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.064 11.329 -9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.625 11.701 -8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.345 12.504 -11.033 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.382 13.872 -9.938 1.00 0.00 H new ATOM 0 HE ARG A 53 4.088 13.563 -10.673 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.994 13.864 -12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.666 14.681 -13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.947 14.606 -12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.882 15.096 -13.809 1.00 0.00 H new ATOM 797 N GLU A 54 4.262 13.338 -4.923 1.00 0.00 N ATOM 798 CA GLU A 54 5.368 13.858 -4.072 1.00 0.00 C ATOM 799 C GLU A 54 5.916 12.725 -3.203 1.00 0.00 C ATOM 800 O GLU A 54 5.426 12.464 -2.122 1.00 0.00 O ATOM 801 CB GLU A 54 4.840 14.980 -3.176 1.00 0.00 C ATOM 802 CG GLU A 54 5.034 16.326 -3.876 1.00 0.00 C ATOM 803 CD GLU A 54 4.428 17.440 -3.020 1.00 0.00 C ATOM 804 OE1 GLU A 54 3.369 17.218 -2.458 1.00 0.00 O ATOM 805 OE2 GLU A 54 5.035 18.495 -2.941 1.00 0.00 O ATOM 0 H GLU A 54 3.324 13.476 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 54 6.164 14.247 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.784 14.820 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.366 14.975 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.095 16.514 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.560 16.309 -4.858 1.00 0.00 H new ATOM 812 N LYS A 55 6.928 12.046 -3.669 1.00 0.00 N ATOM 813 CA LYS A 55 7.506 10.927 -2.873 1.00 0.00 C ATOM 814 C LYS A 55 8.530 11.476 -1.879 1.00 0.00 C ATOM 815 O LYS A 55 9.676 11.074 -1.871 1.00 0.00 O ATOM 816 CB LYS A 55 8.192 9.935 -3.816 1.00 0.00 C ATOM 817 CG LYS A 55 9.206 10.678 -4.693 1.00 0.00 C ATOM 818 CD LYS A 55 10.575 9.998 -4.591 1.00 0.00 C ATOM 819 CE LYS A 55 11.604 10.797 -5.392 1.00 0.00 C ATOM 820 NZ LYS A 55 12.122 11.917 -4.557 1.00 0.00 N ATOM 0 H LYS A 55 7.380 12.218 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 55 6.709 10.422 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.694 9.158 -3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.450 9.439 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.869 10.684 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.282 11.718 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.883 9.932 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.515 8.978 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.425 10.149 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.149 11.188 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.822 12.461 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.335 12.540 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.571 11.533 -3.701 1.00 0.00 H new ATOM 834 N SER A 56 8.132 12.394 -1.041 1.00 0.00 N ATOM 835 CA SER A 56 9.097 12.960 -0.057 1.00 0.00 C ATOM 836 C SER A 56 8.347 13.512 1.157 1.00 0.00 C ATOM 837 O SER A 56 8.904 14.235 1.959 1.00 0.00 O ATOM 838 CB SER A 56 9.891 14.086 -0.718 1.00 0.00 C ATOM 839 OG SER A 56 9.003 15.133 -1.086 1.00 0.00 O ATOM 0 H SER A 56 7.187 12.774 -0.995 1.00 0.00 H new ATOM 0 HA SER A 56 9.775 12.173 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.651 14.462 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.413 13.710 -1.598 1.00 0.00 H new ATOM 0 HG SER A 56 9.509 15.858 -1.509 1.00 0.00 H new ATOM 845 N ASP A 57 7.091 13.181 1.304 1.00 0.00 N ATOM 846 CA ASP A 57 6.323 13.696 2.474 1.00 0.00 C ATOM 847 C ASP A 57 6.394 12.663 3.619 1.00 0.00 C ATOM 848 O ASP A 57 6.412 11.478 3.349 1.00 0.00 O ATOM 849 CB ASP A 57 4.860 13.901 2.068 1.00 0.00 C ATOM 850 CG ASP A 57 4.667 15.329 1.557 1.00 0.00 C ATOM 851 OD1 ASP A 57 4.626 16.231 2.378 1.00 0.00 O ATOM 852 OD2 ASP A 57 4.561 15.498 0.354 1.00 0.00 O ATOM 0 H ASP A 57 6.567 12.580 0.668 1.00 0.00 H new ATOM 0 HA ASP A 57 6.747 14.644 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.583 13.186 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.206 13.717 2.920 1.00 0.00 H new ATOM 857 N PRO A 58 6.426 13.111 4.865 1.00 0.00 N ATOM 858 CA PRO A 58 6.483 12.179 6.010 1.00 0.00 C ATOM 859 C PRO A 58 5.227 11.304 6.047 1.00 0.00 C ATOM 860 O PRO A 58 5.056 10.485 6.928 1.00 0.00 O ATOM 861 CB PRO A 58 6.531 13.078 7.253 1.00 0.00 C ATOM 862 CG PRO A 58 6.361 14.542 6.778 1.00 0.00 C ATOM 863 CD PRO A 58 6.408 14.542 5.243 1.00 0.00 C ATOM 0 HA PRO A 58 7.341 11.510 5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.739 12.808 7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.477 12.954 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.415 14.952 7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.153 15.171 7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.542 15.052 4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.294 15.060 4.874 1.00 0.00 H new ATOM 871 N HIS A 59 4.338 11.479 5.107 1.00 0.00 N ATOM 872 CA HIS A 59 3.089 10.666 5.105 1.00 0.00 C ATOM 873 C HIS A 59 3.287 9.396 4.275 1.00 0.00 C ATOM 874 O HIS A 59 2.672 8.379 4.529 1.00 0.00 O ATOM 875 CB HIS A 59 1.948 11.492 4.509 1.00 0.00 C ATOM 876 CG HIS A 59 1.670 12.677 5.392 1.00 0.00 C ATOM 877 ND1 HIS A 59 2.287 13.904 5.199 1.00 0.00 N ATOM 878 CD2 HIS A 59 0.844 12.839 6.477 1.00 0.00 C ATOM 879 CE1 HIS A 59 1.826 14.742 6.146 1.00 0.00 C ATOM 880 NE2 HIS A 59 0.944 14.143 6.951 1.00 0.00 N ATOM 0 H HIS A 59 4.423 12.148 4.342 1.00 0.00 H new ATOM 0 HA HIS A 59 2.845 10.385 6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.213 11.827 3.506 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.052 10.878 4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.213 12.071 6.898 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.132 15.773 6.243 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.450 14.554 7.743 1.00 0.00 H new ATOM 888 N ILE A 60 4.136 9.438 3.284 1.00 0.00 N ATOM 889 CA ILE A 60 4.356 8.224 2.448 1.00 0.00 C ATOM 890 C ILE A 60 5.078 7.161 3.278 1.00 0.00 C ATOM 891 O ILE A 60 5.447 6.116 2.782 1.00 0.00 O ATOM 892 CB ILE A 60 5.207 8.585 1.228 1.00 0.00 C ATOM 893 CG1 ILE A 60 6.672 8.735 1.652 1.00 0.00 C ATOM 894 CG2 ILE A 60 4.711 9.903 0.632 1.00 0.00 C ATOM 895 CD1 ILE A 60 7.437 9.511 0.579 1.00 0.00 C ATOM 0 H ILE A 60 4.684 10.256 3.018 1.00 0.00 H new ATOM 0 HA ILE A 60 3.394 7.836 2.113 1.00 0.00 H new ATOM 0 HB ILE A 60 5.124 7.795 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.734 9.257 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.122 7.753 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.317 10.160 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.669 9.796 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.793 10.693 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.479 9.618 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.386 8.971 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.992 10.498 0.457 1.00 0.00 H new ATOM 907 N LYS A 61 5.284 7.423 4.539 1.00 0.00 N ATOM 908 CA LYS A 61 5.983 6.431 5.402 1.00 0.00 C ATOM 909 C LYS A 61 4.954 5.533 6.091 1.00 0.00 C ATOM 910 O LYS A 61 4.581 5.756 7.226 1.00 0.00 O ATOM 911 CB LYS A 61 6.803 7.171 6.461 1.00 0.00 C ATOM 912 CG LYS A 61 8.227 7.390 5.943 1.00 0.00 C ATOM 913 CD LYS A 61 9.010 8.244 6.942 1.00 0.00 C ATOM 914 CE LYS A 61 10.202 7.445 7.471 1.00 0.00 C ATOM 915 NZ LYS A 61 10.902 8.235 8.524 1.00 0.00 N ATOM 0 H LYS A 61 4.998 8.282 5.009 1.00 0.00 H new ATOM 0 HA LYS A 61 6.643 5.818 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.338 8.129 6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.826 6.595 7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.725 6.431 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.200 7.882 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.356 9.159 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.363 8.542 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.863 6.494 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.889 7.215 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.638 7.648 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.340 9.074 8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.217 8.534 9.247 1.00 0.00 H new ATOM 929 N LEU A 62 4.492 4.517 5.413 1.00 0.00 N ATOM 930 CA LEU A 62 3.488 3.604 6.030 1.00 0.00 C ATOM 931 C LEU A 62 4.209 2.421 6.680 1.00 0.00 C ATOM 932 O LEU A 62 5.095 1.827 6.098 1.00 0.00 O ATOM 933 CB LEU A 62 2.534 3.091 4.949 1.00 0.00 C ATOM 934 CG LEU A 62 2.118 4.249 4.042 1.00 0.00 C ATOM 935 CD1 LEU A 62 0.981 3.798 3.124 1.00 0.00 C ATOM 936 CD2 LEU A 62 1.642 5.423 4.901 1.00 0.00 C ATOM 0 H LEU A 62 4.766 4.280 4.460 1.00 0.00 H new ATOM 0 HA LEU A 62 2.920 4.144 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.019 2.312 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.654 2.642 5.409 1.00 0.00 H new ATOM 0 HG LEU A 62 2.970 4.560 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.685 4.625 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.318 2.961 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.128 3.486 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.345 6.249 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.790 5.110 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.451 5.747 5.555 1.00 0.00 H new ATOM 948 N GLN A 63 3.838 2.076 7.882 1.00 0.00 N ATOM 949 CA GLN A 63 4.503 0.932 8.570 1.00 0.00 C ATOM 950 C GLN A 63 3.698 -0.345 8.327 1.00 0.00 C ATOM 951 O GLN A 63 2.523 -0.417 8.631 1.00 0.00 O ATOM 952 CB GLN A 63 4.576 1.213 10.073 1.00 0.00 C ATOM 953 CG GLN A 63 5.490 0.183 10.741 1.00 0.00 C ATOM 954 CD GLN A 63 5.445 0.371 12.258 1.00 0.00 C ATOM 955 OE1 GLN A 63 4.425 0.152 12.880 1.00 0.00 O ATOM 956 NE2 GLN A 63 6.519 0.770 12.885 1.00 0.00 N ATOM 0 H GLN A 63 3.103 2.537 8.418 1.00 0.00 H new ATOM 0 HA GLN A 63 5.511 0.806 8.176 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.956 2.220 10.248 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.579 1.168 10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.171 -0.826 10.479 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.512 0.299 10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.376 0.954 12.363 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.501 0.898 13.897 1.00 0.00 H new ATOM 965 N LEU A 64 4.319 -1.354 7.781 1.00 0.00 N ATOM 966 CA LEU A 64 3.587 -2.625 7.520 1.00 0.00 C ATOM 967 C LEU A 64 3.744 -3.563 8.719 1.00 0.00 C ATOM 968 O LEU A 64 4.682 -3.456 9.484 1.00 0.00 O ATOM 969 CB LEU A 64 4.159 -3.296 6.270 1.00 0.00 C ATOM 970 CG LEU A 64 3.581 -2.631 5.020 1.00 0.00 C ATOM 971 CD1 LEU A 64 3.994 -1.159 4.986 1.00 0.00 C ATOM 972 CD2 LEU A 64 4.119 -3.339 3.774 1.00 0.00 C ATOM 0 H LEU A 64 5.301 -1.353 7.505 1.00 0.00 H new ATOM 0 HA LEU A 64 2.530 -2.408 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.246 -3.216 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.918 -4.359 6.273 1.00 0.00 H new ATOM 0 HG LEU A 64 2.494 -2.702 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.582 -0.686 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.614 -0.654 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.081 -1.087 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.708 -2.867 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.206 -3.266 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.826 -4.389 3.797 1.00 0.00 H new ATOM 984 N GLN A 65 2.830 -4.480 8.888 1.00 0.00 N ATOM 985 CA GLN A 65 2.922 -5.426 10.035 1.00 0.00 C ATOM 986 C GLN A 65 2.394 -6.796 9.605 1.00 0.00 C ATOM 987 O GLN A 65 1.283 -6.922 9.129 1.00 0.00 O ATOM 988 CB GLN A 65 2.083 -4.899 11.201 1.00 0.00 C ATOM 989 CG GLN A 65 2.977 -4.115 12.163 1.00 0.00 C ATOM 990 CD GLN A 65 2.114 -3.465 13.246 1.00 0.00 C ATOM 991 OE1 GLN A 65 0.935 -3.959 13.509 1.00 0.00 O flip ATOM 992 NE2 GLN A 65 2.517 -2.496 13.860 1.00 0.00 N flip ATOM 0 H GLN A 65 2.022 -4.614 8.280 1.00 0.00 H new ATOM 0 HA GLN A 65 3.962 -5.517 10.350 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.284 -4.258 10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.608 -5.729 11.724 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.711 -4.780 12.618 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.533 -3.351 11.619 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.438 -2.109 13.655 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.934 -2.070 14.580 1.00 0.00 H new ATOM 1001 N ALA A 66 3.180 -7.824 9.767 1.00 0.00 N ATOM 1002 CA ALA A 66 2.720 -9.183 9.365 1.00 0.00 C ATOM 1003 C ALA A 66 1.810 -9.758 10.452 1.00 0.00 C ATOM 1004 O ALA A 66 1.762 -9.263 11.560 1.00 0.00 O ATOM 1005 CB ALA A 66 3.933 -10.097 9.180 1.00 0.00 C ATOM 0 H ALA A 66 4.120 -7.782 10.160 1.00 0.00 H new ATOM 0 HA ALA A 66 2.167 -9.116 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.598 -11.092 8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.581 -9.689 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.485 -10.163 10.117 1.00 0.00 H new ATOM 1011 N GLU A 67 1.088 -10.801 10.141 1.00 0.00 N ATOM 1012 CA GLU A 67 0.179 -11.413 11.153 1.00 0.00 C ATOM 1013 C GLU A 67 0.176 -12.935 10.973 1.00 0.00 C ATOM 1014 O GLU A 67 1.065 -13.622 11.436 1.00 0.00 O ATOM 1015 CB GLU A 67 -1.238 -10.855 10.965 1.00 0.00 C ATOM 1016 CG GLU A 67 -2.166 -11.398 12.056 1.00 0.00 C ATOM 1017 CD GLU A 67 -1.719 -10.870 13.421 1.00 0.00 C ATOM 1018 OE1 GLU A 67 -0.868 -11.499 14.028 1.00 0.00 O ATOM 1019 OE2 GLU A 67 -2.235 -9.844 13.835 1.00 0.00 O ATOM 0 H GLU A 67 1.089 -11.256 9.228 1.00 0.00 H new ATOM 0 HA GLU A 67 0.525 -11.173 12.158 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.217 -9.766 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.619 -11.132 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.194 -11.095 11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.148 -12.488 12.053 1.00 0.00 H new ATOM 1026 N GLU A 68 -0.810 -13.470 10.305 1.00 0.00 N ATOM 1027 CA GLU A 68 -0.855 -14.946 10.102 1.00 0.00 C ATOM 1028 C GLU A 68 -0.009 -15.317 8.883 1.00 0.00 C ATOM 1029 O GLU A 68 0.680 -14.491 8.320 1.00 0.00 O ATOM 1030 CB GLU A 68 -2.304 -15.386 9.875 1.00 0.00 C ATOM 1031 CG GLU A 68 -2.830 -16.077 11.135 1.00 0.00 C ATOM 1032 CD GLU A 68 -4.350 -16.216 11.045 1.00 0.00 C ATOM 1033 OE1 GLU A 68 -4.988 -15.263 10.626 1.00 0.00 O ATOM 1034 OE2 GLU A 68 -4.852 -17.271 11.396 1.00 0.00 O ATOM 0 H GLU A 68 -1.584 -12.950 9.892 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.459 -15.448 10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.924 -14.522 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.360 -16.065 9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.370 -17.059 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.559 -15.500 12.019 1.00 0.00 H new ATOM 1041 N ARG A 69 -0.054 -16.555 8.470 1.00 0.00 N ATOM 1042 CA ARG A 69 0.750 -16.976 7.288 1.00 0.00 C ATOM 1043 C ARG A 69 0.120 -16.412 6.012 1.00 0.00 C ATOM 1044 O ARG A 69 -0.919 -16.860 5.572 1.00 0.00 O ATOM 1045 CB ARG A 69 0.780 -18.503 7.210 1.00 0.00 C ATOM 1046 CG ARG A 69 1.806 -19.045 8.206 1.00 0.00 C ATOM 1047 CD ARG A 69 1.419 -18.617 9.623 1.00 0.00 C ATOM 1048 NE ARG A 69 2.082 -19.511 10.612 1.00 0.00 N ATOM 1049 CZ ARG A 69 2.142 -19.163 11.869 1.00 0.00 C ATOM 1050 NH1 ARG A 69 1.620 -18.032 12.258 1.00 0.00 N ATOM 1051 NH2 ARG A 69 2.722 -19.947 12.735 1.00 0.00 N ATOM 0 H ARG A 69 -0.613 -17.292 8.900 1.00 0.00 H new ATOM 0 HA ARG A 69 1.767 -16.597 7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.207 -18.908 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.035 -18.821 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.851 -20.132 8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.800 -18.670 7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.716 -17.583 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.337 -18.662 9.745 1.00 0.00 H new ATOM 0 HE ARG A 69 2.489 -20.395 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.165 -17.420 11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.667 -17.760 13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.128 -20.831 12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.769 -19.676 13.717 1.00 0.00 H new ATOM 1065 N GLY A 70 0.744 -15.433 5.414 1.00 0.00 N ATOM 1066 CA GLY A 70 0.182 -14.844 4.165 1.00 0.00 C ATOM 1067 C GLY A 70 -0.692 -13.638 4.512 1.00 0.00 C ATOM 1068 O GLY A 70 -1.066 -12.863 3.653 1.00 0.00 O ATOM 0 H GLY A 70 1.617 -15.016 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.990 -14.540 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.407 -15.591 3.632 1.00 0.00 H new ATOM 1072 N VAL A 71 -1.023 -13.470 5.763 1.00 0.00 N ATOM 1073 CA VAL A 71 -1.875 -12.314 6.161 1.00 0.00 C ATOM 1074 C VAL A 71 -0.984 -11.140 6.574 1.00 0.00 C ATOM 1075 O VAL A 71 0.031 -11.315 7.218 1.00 0.00 O ATOM 1076 CB VAL A 71 -2.765 -12.717 7.337 1.00 0.00 C ATOM 1077 CG1 VAL A 71 -3.831 -11.642 7.564 1.00 0.00 C ATOM 1078 CG2 VAL A 71 -3.447 -14.051 7.025 1.00 0.00 C ATOM 0 H VAL A 71 -0.740 -14.084 6.527 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.499 -12.017 5.318 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.156 -12.819 8.235 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.465 -11.930 8.402 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.347 -10.691 7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.441 -11.539 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.082 -14.340 7.863 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.056 -13.947 6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.689 -14.818 6.863 1.00 0.00 H new ATOM 1088 N VAL A 72 -1.358 -9.943 6.206 1.00 0.00 N ATOM 1089 CA VAL A 72 -0.537 -8.755 6.575 1.00 0.00 C ATOM 1090 C VAL A 72 -1.460 -7.570 6.866 1.00 0.00 C ATOM 1091 O VAL A 72 -2.649 -7.622 6.624 1.00 0.00 O ATOM 1092 CB VAL A 72 0.396 -8.401 5.415 1.00 0.00 C ATOM 1093 CG1 VAL A 72 1.432 -9.514 5.234 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -0.421 -8.255 4.130 1.00 0.00 C ATOM 0 H VAL A 72 -2.198 -9.738 5.665 1.00 0.00 H new ATOM 0 HA VAL A 72 0.055 -8.982 7.462 1.00 0.00 H new ATOM 0 HB VAL A 72 0.905 -7.462 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.096 -9.262 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.015 -9.621 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.923 -10.453 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.243 -8.003 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.929 -9.194 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.160 -7.463 4.256 1.00 0.00 H new ATOM 1104 N SER A 73 -0.921 -6.499 7.386 1.00 0.00 N ATOM 1105 CA SER A 73 -1.769 -5.314 7.692 1.00 0.00 C ATOM 1106 C SER A 73 -0.941 -4.037 7.536 1.00 0.00 C ATOM 1107 O SER A 73 0.182 -3.954 7.991 1.00 0.00 O ATOM 1108 CB SER A 73 -2.284 -5.413 9.129 1.00 0.00 C ATOM 1109 OG SER A 73 -2.742 -6.736 9.373 1.00 0.00 O ATOM 0 H SER A 73 0.068 -6.395 7.611 1.00 0.00 H new ATOM 0 HA SER A 73 -2.613 -5.286 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.491 -5.155 9.831 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.094 -4.700 9.287 1.00 0.00 H new ATOM 0 HG SER A 73 -3.713 -6.727 9.504 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.487 -3.039 6.895 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.732 -1.767 6.710 1.00 0.00 C ATOM 1117 C ILE A 74 -1.074 -0.800 7.846 1.00 0.00 C ATOM 1118 O ILE A 74 -2.119 -0.894 8.458 1.00 0.00 O ATOM 1119 CB ILE A 74 -1.116 -1.136 5.371 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -0.719 -2.077 4.231 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.387 0.198 5.206 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -1.419 -1.643 2.943 1.00 0.00 C ATOM 0 H ILE A 74 -2.424 -3.050 6.491 1.00 0.00 H new ATOM 0 HA ILE A 74 0.338 -1.975 6.720 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.193 -0.967 5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.362 -2.062 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.994 -3.102 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.661 0.647 4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.669 0.869 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.690 0.030 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.136 -2.313 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.499 -1.681 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.122 -0.625 2.693 1.00 0.00 H new ATOM 1134 N LYS A 75 -0.202 0.127 8.133 1.00 0.00 N ATOM 1135 CA LYS A 75 -0.480 1.098 9.229 1.00 0.00 C ATOM 1136 C LYS A 75 0.194 2.434 8.911 1.00 0.00 C ATOM 1137 O LYS A 75 1.305 2.478 8.422 1.00 0.00 O ATOM 1138 CB LYS A 75 0.070 0.549 10.547 1.00 0.00 C ATOM 1139 CG LYS A 75 -0.246 1.528 11.679 1.00 0.00 C ATOM 1140 CD LYS A 75 1.058 2.111 12.229 1.00 0.00 C ATOM 1141 CE LYS A 75 0.744 3.062 13.387 1.00 0.00 C ATOM 1142 NZ LYS A 75 0.646 2.284 14.655 1.00 0.00 N ATOM 0 H LYS A 75 0.691 0.254 7.656 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.556 1.247 9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.371 -0.425 10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.147 0.401 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.889 2.329 11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.792 1.019 12.473 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.712 1.309 12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.591 2.643 11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.523 3.819 13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.192 3.588 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.433 2.929 15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.112 1.577 14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.549 1.802 14.837 1.00 0.00 H new ATOM 1156 N GLY A 76 -0.470 3.524 9.184 1.00 0.00 N ATOM 1157 CA GLY A 76 0.133 4.857 8.897 1.00 0.00 C ATOM 1158 C GLY A 76 0.843 5.377 10.148 1.00 0.00 C ATOM 1159 O GLY A 76 0.270 5.439 11.218 1.00 0.00 O ATOM 0 H GLY A 76 -1.404 3.549 9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.840 4.778 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.641 5.559 8.587 1.00 0.00 H new ATOM 1163 N VAL A 77 2.086 5.753 10.024 1.00 0.00 N ATOM 1164 CA VAL A 77 2.830 6.270 11.207 1.00 0.00 C ATOM 1165 C VAL A 77 2.395 7.708 11.494 1.00 0.00 C ATOM 1166 O VAL A 77 1.866 8.009 12.545 1.00 0.00 O ATOM 1167 CB VAL A 77 4.332 6.238 10.919 1.00 0.00 C ATOM 1168 CG1 VAL A 77 5.095 6.781 12.128 1.00 0.00 C ATOM 1169 CG2 VAL A 77 4.767 4.797 10.649 1.00 0.00 C ATOM 0 H VAL A 77 2.619 5.725 9.155 1.00 0.00 H new ATOM 0 HA VAL A 77 2.614 5.646 12.074 1.00 0.00 H new ATOM 0 HB VAL A 77 4.548 6.854 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.165 6.758 11.923 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.785 7.808 12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.880 6.165 13.001 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.837 4.772 10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.551 4.182 11.523 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.223 4.408 9.788 1.00 0.00 H new ATOM 1179 N SER A 78 2.616 8.600 10.567 1.00 0.00 N ATOM 1180 CA SER A 78 2.215 10.018 10.788 1.00 0.00 C ATOM 1181 C SER A 78 0.692 10.106 10.897 1.00 0.00 C ATOM 1182 O SER A 78 0.155 10.993 11.532 1.00 0.00 O ATOM 1183 CB SER A 78 2.691 10.871 9.612 1.00 0.00 C ATOM 1184 OG SER A 78 1.595 11.128 8.744 1.00 0.00 O ATOM 0 H SER A 78 3.056 8.408 9.667 1.00 0.00 H new ATOM 0 HA SER A 78 2.667 10.384 11.710 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.110 11.809 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.485 10.355 9.071 1.00 0.00 H new ATOM 0 HG SER A 78 1.634 10.518 7.978 1.00 0.00 H new ATOM 1190 N ALA A 79 -0.010 9.194 10.284 1.00 0.00 N ATOM 1191 CA ALA A 79 -1.497 9.226 10.353 1.00 0.00 C ATOM 1192 C ALA A 79 -1.970 8.416 11.561 1.00 0.00 C ATOM 1193 O ALA A 79 -3.048 8.629 12.079 1.00 0.00 O ATOM 1194 CB ALA A 79 -2.081 8.621 9.074 1.00 0.00 C ATOM 0 H ALA A 79 0.383 8.427 9.738 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.833 10.258 10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.170 8.644 9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.745 9.198 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.745 7.589 8.973 1.00 0.00 H new ATOM 1200 N ASN A 80 -1.172 7.487 12.014 1.00 0.00 N ATOM 1201 CA ASN A 80 -1.575 6.662 13.188 1.00 0.00 C ATOM 1202 C ASN A 80 -2.967 6.075 12.948 1.00 0.00 C ATOM 1203 O ASN A 80 -3.851 6.190 13.774 1.00 0.00 O ATOM 1204 CB ASN A 80 -1.599 7.536 14.445 1.00 0.00 C ATOM 1205 CG ASN A 80 -0.179 8.003 14.769 1.00 0.00 C ATOM 1206 OD1 ASN A 80 0.616 7.249 15.293 1.00 0.00 O ATOM 1207 ND2 ASN A 80 0.176 9.225 14.477 1.00 0.00 N ATOM 0 H ASN A 80 -0.258 7.264 11.621 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.858 5.852 13.323 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.250 8.397 14.290 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.009 6.974 15.284 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.121 9.546 14.689 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.491 9.859 14.037 1.00 0.00 H new ATOM 1214 N ARG A 81 -3.170 5.444 11.824 1.00 0.00 N ATOM 1215 CA ARG A 81 -4.504 4.848 11.532 1.00 0.00 C ATOM 1216 C ARG A 81 -4.324 3.591 10.679 1.00 0.00 C ATOM 1217 O ARG A 81 -3.435 3.513 9.854 1.00 0.00 O ATOM 1218 CB ARG A 81 -5.361 5.861 10.770 1.00 0.00 C ATOM 1219 CG ARG A 81 -5.901 6.911 11.743 1.00 0.00 C ATOM 1220 CD ARG A 81 -6.792 7.895 10.978 1.00 0.00 C ATOM 1221 NE ARG A 81 -6.419 9.310 11.311 1.00 0.00 N ATOM 1222 CZ ARG A 81 -6.246 9.694 12.550 1.00 0.00 C ATOM 1223 NH1 ARG A 81 -6.468 8.867 13.534 1.00 0.00 N ATOM 1224 NH2 ARG A 81 -5.871 10.918 12.803 1.00 0.00 N ATOM 0 H ARG A 81 -2.469 5.315 11.095 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.997 4.586 12.468 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.768 6.342 9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.187 5.353 10.273 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.470 6.429 12.538 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.076 7.442 12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.690 7.729 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.838 7.719 11.230 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.298 9.986 10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.778 7.915 13.340 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.331 9.172 14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.714 11.572 12.036 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.735 11.221 13.768 1.00 0.00 H new ATOM 1238 N TYR A 82 -5.161 2.608 10.870 1.00 0.00 N ATOM 1239 CA TYR A 82 -5.041 1.355 10.072 1.00 0.00 C ATOM 1240 C TYR A 82 -5.993 1.417 8.875 1.00 0.00 C ATOM 1241 O TYR A 82 -7.180 1.626 9.024 1.00 0.00 O ATOM 1242 CB TYR A 82 -5.407 0.156 10.948 1.00 0.00 C ATOM 1243 CG TYR A 82 -4.431 0.054 12.097 1.00 0.00 C ATOM 1244 CD1 TYR A 82 -4.612 0.842 13.240 1.00 0.00 C ATOM 1245 CD2 TYR A 82 -3.346 -0.828 12.018 1.00 0.00 C ATOM 1246 CE1 TYR A 82 -3.707 0.748 14.305 1.00 0.00 C ATOM 1247 CE2 TYR A 82 -2.442 -0.921 13.082 1.00 0.00 C ATOM 1248 CZ TYR A 82 -2.622 -0.133 14.226 1.00 0.00 C ATOM 1249 OH TYR A 82 -1.731 -0.226 15.275 1.00 0.00 O ATOM 0 H TYR A 82 -5.925 2.619 11.546 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.016 1.249 9.717 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.422 0.267 11.328 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.386 -0.760 10.357 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.449 1.522 13.301 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.207 -1.436 11.136 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.846 1.355 15.187 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.605 -1.601 13.021 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.038 -0.884 15.058 1.00 0.00 H new ATOM 1259 N LEU A 83 -5.481 1.236 7.688 1.00 0.00 N ATOM 1260 CA LEU A 83 -6.357 1.281 6.483 1.00 0.00 C ATOM 1261 C LEU A 83 -7.444 0.210 6.609 1.00 0.00 C ATOM 1262 O LEU A 83 -7.215 -0.857 7.144 1.00 0.00 O ATOM 1263 CB LEU A 83 -5.512 1.013 5.233 1.00 0.00 C ATOM 1264 CG LEU A 83 -6.339 1.281 3.964 1.00 0.00 C ATOM 1265 CD1 LEU A 83 -6.381 2.784 3.652 1.00 0.00 C ATOM 1266 CD2 LEU A 83 -5.703 0.541 2.785 1.00 0.00 C ATOM 0 H LEU A 83 -4.494 1.059 7.501 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.823 2.263 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.627 1.650 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.162 -0.019 5.236 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.357 0.928 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.971 2.952 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.835 3.317 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.367 3.152 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.285 0.727 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.683 0.897 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.687 -0.529 2.993 1.00 0.00 H new ATOM 1278 N ALA A 84 -8.623 0.484 6.123 1.00 0.00 N ATOM 1279 CA ALA A 84 -9.719 -0.520 6.217 1.00 0.00 C ATOM 1280 C ALA A 84 -10.670 -0.348 5.031 1.00 0.00 C ATOM 1281 O ALA A 84 -11.109 0.743 4.728 1.00 0.00 O ATOM 1282 CB ALA A 84 -10.489 -0.316 7.522 1.00 0.00 C ATOM 0 H ALA A 84 -8.875 1.360 5.665 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.294 -1.524 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.291 -1.051 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.812 -0.439 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.914 0.687 7.541 1.00 0.00 H new ATOM 1288 N MET A 85 -10.990 -1.418 4.356 1.00 0.00 N ATOM 1289 CA MET A 85 -11.912 -1.314 3.191 1.00 0.00 C ATOM 1290 C MET A 85 -13.354 -1.505 3.667 1.00 0.00 C ATOM 1291 O MET A 85 -13.783 -2.605 3.952 1.00 0.00 O ATOM 1292 CB MET A 85 -11.565 -2.400 2.169 1.00 0.00 C ATOM 1293 CG MET A 85 -12.641 -2.444 1.082 1.00 0.00 C ATOM 1294 SD MET A 85 -12.035 -3.403 -0.329 1.00 0.00 S ATOM 1295 CE MET A 85 -11.179 -2.051 -1.174 1.00 0.00 C ATOM 0 H MET A 85 -10.653 -2.359 4.561 1.00 0.00 H new ATOM 0 HA MET A 85 -11.807 -0.332 2.729 1.00 0.00 H new ATOM 0 HB2 MET A 85 -10.591 -2.196 1.723 1.00 0.00 H new ATOM 0 HB3 MET A 85 -11.493 -3.369 2.663 1.00 0.00 H new ATOM 0 HG2 MET A 85 -13.553 -2.893 1.476 1.00 0.00 H new ATOM 0 HG3 MET A 85 -12.895 -1.432 0.766 1.00 0.00 H new ATOM 0 HE1 MET A 85 -10.253 -2.424 -1.613 1.00 0.00 H new ATOM 0 HE2 MET A 85 -11.818 -1.651 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.949 -1.262 -0.458 1.00 0.00 H new ATOM 1305 N LYS A 86 -14.104 -0.441 3.757 1.00 0.00 N ATOM 1306 CA LYS A 86 -15.516 -0.563 4.215 1.00 0.00 C ATOM 1307 C LYS A 86 -16.304 -1.419 3.221 1.00 0.00 C ATOM 1308 O LYS A 86 -15.855 -1.685 2.125 1.00 0.00 O ATOM 1309 CB LYS A 86 -16.146 0.828 4.302 1.00 0.00 C ATOM 1310 CG LYS A 86 -15.710 1.506 5.602 1.00 0.00 C ATOM 1311 CD LYS A 86 -16.678 1.128 6.725 1.00 0.00 C ATOM 1312 CE LYS A 86 -15.943 1.164 8.066 1.00 0.00 C ATOM 1313 NZ LYS A 86 -16.904 0.873 9.167 1.00 0.00 N ATOM 0 H LYS A 86 -13.800 0.507 3.533 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.539 -1.034 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.842 1.430 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.233 0.749 4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.697 1.199 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.692 2.588 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.520 1.819 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.086 0.133 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.136 0.431 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.486 2.142 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.405 0.897 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.659 1.588 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.320 -0.070 9.025 1.00 0.00 H new ATOM 1327 N GLU A 87 -17.476 -1.853 3.597 1.00 0.00 N ATOM 1328 CA GLU A 87 -18.292 -2.689 2.673 1.00 0.00 C ATOM 1329 C GLU A 87 -18.965 -1.793 1.633 1.00 0.00 C ATOM 1330 O GLU A 87 -19.347 -2.238 0.568 1.00 0.00 O ATOM 1331 CB GLU A 87 -19.363 -3.436 3.471 1.00 0.00 C ATOM 1332 CG GLU A 87 -20.557 -2.511 3.715 1.00 0.00 C ATOM 1333 CD GLU A 87 -21.363 -3.020 4.910 1.00 0.00 C ATOM 1334 OE1 GLU A 87 -22.128 -3.954 4.730 1.00 0.00 O ATOM 1335 OE2 GLU A 87 -21.203 -2.468 5.986 1.00 0.00 O ATOM 0 H GLU A 87 -17.903 -1.665 4.504 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.646 -3.408 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.683 -4.324 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -18.952 -3.775 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -20.210 -1.495 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -21.188 -2.473 2.827 1.00 0.00 H new ATOM 1342 N ASP A 88 -19.118 -0.532 1.933 1.00 0.00 N ATOM 1343 CA ASP A 88 -19.768 0.390 0.961 1.00 0.00 C ATOM 1344 C ASP A 88 -18.802 0.680 -0.191 1.00 0.00 C ATOM 1345 O ASP A 88 -19.154 1.321 -1.160 1.00 0.00 O ATOM 1346 CB ASP A 88 -20.131 1.699 1.666 1.00 0.00 C ATOM 1347 CG ASP A 88 -19.001 2.099 2.615 1.00 0.00 C ATOM 1348 OD1 ASP A 88 -17.857 1.823 2.294 1.00 0.00 O ATOM 1349 OD2 ASP A 88 -19.298 2.677 3.648 1.00 0.00 O ATOM 0 H ASP A 88 -18.821 -0.101 2.809 1.00 0.00 H new ATOM 0 HA ASP A 88 -20.673 -0.074 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -20.298 2.486 0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -21.061 1.579 2.221 1.00 0.00 H new ATOM 1354 N GLY A 89 -17.589 0.207 -0.093 1.00 0.00 N ATOM 1355 CA GLY A 89 -16.600 0.450 -1.183 1.00 0.00 C ATOM 1356 C GLY A 89 -15.752 1.679 -0.849 1.00 0.00 C ATOM 1357 O GLY A 89 -14.790 1.983 -1.527 1.00 0.00 O ATOM 0 H GLY A 89 -17.240 -0.338 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.959 -0.423 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.118 0.601 -2.130 1.00 0.00 H new ATOM 1361 N ARG A 90 -16.099 2.388 0.189 1.00 0.00 N ATOM 1362 CA ARG A 90 -15.311 3.597 0.561 1.00 0.00 C ATOM 1363 C ARG A 90 -14.028 3.166 1.274 1.00 0.00 C ATOM 1364 O ARG A 90 -14.062 2.470 2.269 1.00 0.00 O ATOM 1365 CB ARG A 90 -16.132 4.493 1.502 1.00 0.00 C ATOM 1366 CG ARG A 90 -17.135 5.344 0.701 1.00 0.00 C ATOM 1367 CD ARG A 90 -18.278 4.471 0.158 1.00 0.00 C ATOM 1368 NE ARG A 90 -19.613 5.068 0.506 1.00 0.00 N ATOM 1369 CZ ARG A 90 -19.938 5.357 1.740 1.00 0.00 C ATOM 1370 NH1 ARG A 90 -19.133 5.055 2.723 1.00 0.00 N ATOM 1371 NH2 ARG A 90 -21.084 5.927 1.993 1.00 0.00 N ATOM 0 H ARG A 90 -16.893 2.183 0.795 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.066 4.154 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -16.666 3.877 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.465 5.144 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.542 6.130 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.623 5.836 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -18.187 4.376 -0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.204 3.466 0.574 1.00 0.00 H new ATOM 0 HE ARG A 90 -20.284 5.253 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -18.245 4.591 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -19.392 5.283 3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -21.724 6.146 1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -21.340 6.153 2.954 1.00 0.00 H new ATOM 1385 N LEU A 91 -12.894 3.578 0.775 1.00 0.00 N ATOM 1386 CA LEU A 91 -11.611 3.198 1.428 1.00 0.00 C ATOM 1387 C LEU A 91 -11.250 4.253 2.476 1.00 0.00 C ATOM 1388 O LEU A 91 -11.161 5.428 2.181 1.00 0.00 O ATOM 1389 CB LEU A 91 -10.503 3.124 0.375 1.00 0.00 C ATOM 1390 CG LEU A 91 -10.548 1.763 -0.319 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -11.925 1.558 -0.953 1.00 0.00 C ATOM 1392 CD2 LEU A 91 -9.473 1.710 -1.407 1.00 0.00 C ATOM 0 H LEU A 91 -12.802 4.161 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.718 2.225 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.629 3.922 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.530 3.273 0.844 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.365 0.976 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.957 0.587 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.691 1.596 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -12.109 2.345 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.504 0.740 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.656 2.497 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.491 1.856 -0.956 1.00 0.00 H new ATOM 1404 N LEU A 92 -11.050 3.845 3.698 1.00 0.00 N ATOM 1405 CA LEU A 92 -10.705 4.831 4.762 1.00 0.00 C ATOM 1406 C LEU A 92 -9.799 4.169 5.801 1.00 0.00 C ATOM 1407 O LEU A 92 -9.317 3.072 5.607 1.00 0.00 O ATOM 1408 CB LEU A 92 -11.988 5.336 5.438 1.00 0.00 C ATOM 1409 CG LEU A 92 -12.960 4.172 5.686 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -12.367 3.193 6.705 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -14.279 4.727 6.227 1.00 0.00 C ATOM 0 H LEU A 92 -11.110 2.875 4.006 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.181 5.676 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.742 5.820 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.465 6.088 4.810 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.132 3.645 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -13.066 2.373 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.426 2.796 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.186 3.712 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.973 3.906 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -14.095 5.256 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.710 5.415 5.500 1.00 0.00 H new ATOM 1423 N ALA A 93 -9.561 4.833 6.899 1.00 0.00 N ATOM 1424 CA ALA A 93 -8.683 4.247 7.954 1.00 0.00 C ATOM 1425 C ALA A 93 -9.224 4.623 9.334 1.00 0.00 C ATOM 1426 O ALA A 93 -9.995 5.551 9.479 1.00 0.00 O ATOM 1427 CB ALA A 93 -7.264 4.796 7.796 1.00 0.00 C ATOM 0 H ALA A 93 -9.937 5.757 7.112 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.667 3.162 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.621 4.369 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.878 4.529 6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.280 5.881 7.898 1.00 0.00 H new ATOM 1433 N SER A 94 -8.825 3.908 10.352 1.00 0.00 N ATOM 1434 CA SER A 94 -9.315 4.222 11.724 1.00 0.00 C ATOM 1435 C SER A 94 -8.213 3.916 12.740 1.00 0.00 C ATOM 1436 O SER A 94 -7.362 3.080 12.513 1.00 0.00 O ATOM 1437 CB SER A 94 -10.546 3.370 12.033 1.00 0.00 C ATOM 1438 OG SER A 94 -10.140 2.191 12.715 1.00 0.00 O ATOM 0 H SER A 94 -8.180 3.120 10.292 1.00 0.00 H new ATOM 0 HA SER A 94 -9.581 5.277 11.783 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.249 3.935 12.645 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.064 3.110 11.110 1.00 0.00 H new ATOM 0 HG SER A 94 -9.340 1.823 12.284 1.00 0.00 H new ATOM 1444 N LYS A 95 -8.222 4.587 13.859 1.00 0.00 N ATOM 1445 CA LYS A 95 -7.173 4.334 14.887 1.00 0.00 C ATOM 1446 C LYS A 95 -7.221 2.866 15.317 1.00 0.00 C ATOM 1447 O LYS A 95 -6.202 2.244 15.544 1.00 0.00 O ATOM 1448 CB LYS A 95 -7.426 5.229 16.103 1.00 0.00 C ATOM 1449 CG LYS A 95 -7.069 6.676 15.759 1.00 0.00 C ATOM 1450 CD LYS A 95 -5.592 6.926 16.071 1.00 0.00 C ATOM 1451 CE LYS A 95 -5.444 7.353 17.533 1.00 0.00 C ATOM 1452 NZ LYS A 95 -4.053 7.076 17.992 1.00 0.00 N ATOM 0 H LYS A 95 -8.910 5.299 14.106 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.192 4.557 14.467 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.472 5.164 16.404 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.829 4.888 16.949 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.267 6.870 14.705 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.694 7.362 16.332 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.012 6.022 15.885 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.196 7.700 15.413 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.669 8.414 17.638 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.158 6.813 18.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.951 7.366 18.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.855 6.059 17.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.381 7.610 17.405 1.00 0.00 H new ATOM 1466 N SER A 96 -8.395 2.308 15.432 1.00 0.00 N ATOM 1467 CA SER A 96 -8.504 0.881 15.850 1.00 0.00 C ATOM 1468 C SER A 96 -8.354 -0.022 14.625 1.00 0.00 C ATOM 1469 O SER A 96 -8.575 0.392 13.504 1.00 0.00 O ATOM 1470 CB SER A 96 -9.869 0.643 16.495 1.00 0.00 C ATOM 1471 OG SER A 96 -9.693 -0.058 17.721 1.00 0.00 O ATOM 0 H SER A 96 -9.283 2.778 15.255 1.00 0.00 H new ATOM 0 HA SER A 96 -7.717 0.651 16.569 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.370 1.594 16.675 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.507 0.069 15.823 1.00 0.00 H new ATOM 0 HG SER A 96 -10.566 -0.211 18.139 1.00 0.00 H new ATOM 1477 N VAL A 97 -7.980 -1.256 14.830 1.00 0.00 N ATOM 1478 CA VAL A 97 -7.816 -2.187 13.677 1.00 0.00 C ATOM 1479 C VAL A 97 -9.118 -2.960 13.456 1.00 0.00 C ATOM 1480 O VAL A 97 -9.561 -3.705 14.308 1.00 0.00 O ATOM 1481 CB VAL A 97 -6.684 -3.173 13.974 1.00 0.00 C ATOM 1482 CG1 VAL A 97 -6.409 -4.024 12.734 1.00 0.00 C ATOM 1483 CG2 VAL A 97 -5.419 -2.398 14.349 1.00 0.00 C ATOM 0 H VAL A 97 -7.781 -1.659 15.745 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.575 -1.615 12.781 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.975 -3.820 14.802 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.603 -4.726 12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.309 -4.576 12.465 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.119 -3.377 11.906 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.612 -3.099 14.561 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.130 -1.751 13.521 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.613 -1.791 15.233 1.00 0.00 H new ATOM 1493 N THR A 98 -9.735 -2.788 12.319 1.00 0.00 N ATOM 1494 CA THR A 98 -11.007 -3.514 12.045 1.00 0.00 C ATOM 1495 C THR A 98 -10.694 -4.864 11.399 1.00 0.00 C ATOM 1496 O THR A 98 -9.563 -5.157 11.064 1.00 0.00 O ATOM 1497 CB THR A 98 -11.875 -2.683 11.097 1.00 0.00 C ATOM 1498 OG1 THR A 98 -11.203 -2.527 9.857 1.00 0.00 O ATOM 1499 CG2 THR A 98 -12.137 -1.308 11.715 1.00 0.00 C ATOM 0 H THR A 98 -9.413 -2.177 11.569 1.00 0.00 H new ATOM 0 HA THR A 98 -11.543 -3.675 12.981 1.00 0.00 H new ATOM 0 HB THR A 98 -12.825 -3.192 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 98 -10.368 -2.033 9.997 1.00 0.00 H new ATOM 0 HG21 THR A 98 -12.755 -0.717 11.039 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.654 -1.429 12.667 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.189 -0.797 11.880 1.00 0.00 H new ATOM 1507 N ASP A 99 -11.688 -5.692 11.219 1.00 0.00 N ATOM 1508 CA ASP A 99 -11.444 -7.022 10.594 1.00 0.00 C ATOM 1509 C ASP A 99 -11.103 -6.835 9.113 1.00 0.00 C ATOM 1510 O ASP A 99 -10.479 -7.677 8.500 1.00 0.00 O ATOM 1511 CB ASP A 99 -12.704 -7.883 10.720 1.00 0.00 C ATOM 1512 CG ASP A 99 -13.020 -8.111 12.199 1.00 0.00 C ATOM 1513 OD1 ASP A 99 -12.085 -8.257 12.969 1.00 0.00 O ATOM 1514 OD2 ASP A 99 -14.192 -8.137 12.537 1.00 0.00 O ATOM 0 H ASP A 99 -12.657 -5.504 11.478 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.613 -7.514 11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -13.544 -7.391 10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.556 -8.839 10.217 1.00 0.00 H new ATOM 1519 N GLU A 100 -11.509 -5.737 8.537 1.00 0.00 N ATOM 1520 CA GLU A 100 -11.209 -5.494 7.097 1.00 0.00 C ATOM 1521 C GLU A 100 -9.924 -4.672 6.973 1.00 0.00 C ATOM 1522 O GLU A 100 -9.711 -3.981 5.998 1.00 0.00 O ATOM 1523 CB GLU A 100 -12.369 -4.726 6.459 1.00 0.00 C ATOM 1524 CG GLU A 100 -13.514 -5.693 6.152 1.00 0.00 C ATOM 1525 CD GLU A 100 -13.752 -6.603 7.358 1.00 0.00 C ATOM 1526 OE1 GLU A 100 -13.124 -7.647 7.420 1.00 0.00 O ATOM 1527 OE2 GLU A 100 -14.558 -6.241 8.200 1.00 0.00 O ATOM 0 H GLU A 100 -12.036 -4.997 9.001 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.079 -6.448 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.713 -3.941 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.036 -4.238 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.422 -5.136 5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.273 -6.292 5.274 1.00 0.00 H new ATOM 1534 N CYS A 101 -9.068 -4.741 7.956 1.00 0.00 N ATOM 1535 CA CYS A 101 -7.798 -3.963 7.897 1.00 0.00 C ATOM 1536 C CYS A 101 -6.686 -4.840 7.320 1.00 0.00 C ATOM 1537 O CYS A 101 -5.602 -4.373 7.032 1.00 0.00 O ATOM 1538 CB CYS A 101 -7.411 -3.510 9.306 1.00 0.00 C ATOM 1539 SG CYS A 101 -8.351 -2.026 9.743 1.00 0.00 S ATOM 0 H CYS A 101 -9.193 -5.303 8.798 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.938 -3.090 7.260 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -7.613 -4.305 10.023 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -6.342 -3.303 9.352 1.00 0.00 H new ATOM 0 HG CYS A 101 -8.027 -1.055 8.941 1.00 0.00 H new ATOM 1545 N PHE A 102 -6.944 -6.108 7.150 1.00 0.00 N ATOM 1546 CA PHE A 102 -5.900 -7.013 6.594 1.00 0.00 C ATOM 1547 C PHE A 102 -6.075 -7.128 5.077 1.00 0.00 C ATOM 1548 O PHE A 102 -7.137 -6.874 4.544 1.00 0.00 O ATOM 1549 CB PHE A 102 -6.039 -8.399 7.227 1.00 0.00 C ATOM 1550 CG PHE A 102 -5.857 -8.289 8.721 1.00 0.00 C ATOM 1551 CD1 PHE A 102 -6.930 -7.895 9.529 1.00 0.00 C ATOM 1552 CD2 PHE A 102 -4.615 -8.580 9.298 1.00 0.00 C ATOM 1553 CE1 PHE A 102 -6.761 -7.793 10.916 1.00 0.00 C ATOM 1554 CE2 PHE A 102 -4.446 -8.476 10.685 1.00 0.00 C ATOM 1555 CZ PHE A 102 -5.520 -8.083 11.493 1.00 0.00 C ATOM 0 H PHE A 102 -7.833 -6.556 7.372 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.913 -6.606 6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -7.019 -8.818 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.296 -9.078 6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.888 -7.670 9.083 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.788 -8.885 8.674 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.589 -7.490 11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.488 -8.699 11.131 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.390 -8.004 12.562 1.00 0.00 H new ATOM 1565 N PHE A 103 -5.041 -7.508 4.380 1.00 0.00 N ATOM 1566 CA PHE A 103 -5.146 -7.641 2.899 1.00 0.00 C ATOM 1567 C PHE A 103 -4.221 -8.763 2.424 1.00 0.00 C ATOM 1568 O PHE A 103 -3.016 -8.688 2.564 1.00 0.00 O ATOM 1569 CB PHE A 103 -4.730 -6.325 2.238 1.00 0.00 C ATOM 1570 CG PHE A 103 -5.687 -5.230 2.645 1.00 0.00 C ATOM 1571 CD1 PHE A 103 -5.518 -4.573 3.870 1.00 0.00 C ATOM 1572 CD2 PHE A 103 -6.741 -4.870 1.799 1.00 0.00 C ATOM 1573 CE1 PHE A 103 -6.404 -3.557 4.248 1.00 0.00 C ATOM 1574 CE2 PHE A 103 -7.627 -3.854 2.175 1.00 0.00 C ATOM 1575 CZ PHE A 103 -7.459 -3.198 3.401 1.00 0.00 C ATOM 0 H PHE A 103 -4.126 -7.733 4.772 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.175 -7.875 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.714 -6.063 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -4.728 -6.436 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.704 -4.850 4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.871 -5.377 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.273 -3.050 5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.440 -3.576 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.143 -2.415 3.693 1.00 0.00 H new ATOM 1585 N PHE A 104 -4.772 -9.804 1.864 1.00 0.00 N ATOM 1586 CA PHE A 104 -3.922 -10.928 1.382 1.00 0.00 C ATOM 1587 C PHE A 104 -2.866 -10.392 0.414 1.00 0.00 C ATOM 1588 O PHE A 104 -3.180 -9.750 -0.569 1.00 0.00 O ATOM 1589 CB PHE A 104 -4.795 -11.960 0.665 1.00 0.00 C ATOM 1590 CG PHE A 104 -5.484 -12.834 1.685 1.00 0.00 C ATOM 1591 CD1 PHE A 104 -4.730 -13.690 2.496 1.00 0.00 C ATOM 1592 CD2 PHE A 104 -6.878 -12.790 1.821 1.00 0.00 C ATOM 1593 CE1 PHE A 104 -5.367 -14.501 3.442 1.00 0.00 C ATOM 1594 CE2 PHE A 104 -7.515 -13.602 2.767 1.00 0.00 C ATOM 1595 CZ PHE A 104 -6.759 -14.456 3.578 1.00 0.00 C ATOM 0 H PHE A 104 -5.774 -9.925 1.719 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.429 -11.399 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.535 -11.456 0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.183 -12.571 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.656 -13.725 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.461 -12.130 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.784 -15.162 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.589 -13.569 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 104 -7.250 -15.081 4.309 1.00 0.00 H new ATOM 1605 N GLU A 105 -1.615 -10.649 0.684 1.00 0.00 N ATOM 1606 CA GLU A 105 -0.540 -10.153 -0.222 1.00 0.00 C ATOM 1607 C GLU A 105 -0.285 -11.187 -1.321 1.00 0.00 C ATOM 1608 O GLU A 105 -0.426 -12.375 -1.114 1.00 0.00 O ATOM 1609 CB GLU A 105 0.745 -9.937 0.581 1.00 0.00 C ATOM 1610 CG GLU A 105 1.913 -9.698 -0.376 1.00 0.00 C ATOM 1611 CD GLU A 105 2.551 -11.037 -0.749 1.00 0.00 C ATOM 1612 OE1 GLU A 105 3.017 -11.719 0.149 1.00 0.00 O ATOM 1613 OE2 GLU A 105 2.563 -11.359 -1.926 1.00 0.00 O ATOM 0 H GLU A 105 -1.291 -11.181 1.492 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.850 -9.210 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.629 -9.084 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.946 -10.807 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.563 -9.188 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.653 -9.049 0.092 1.00 0.00 H new ATOM 1620 N ARG A 106 0.085 -10.743 -2.492 1.00 0.00 N ATOM 1621 CA ARG A 106 0.344 -11.701 -3.603 1.00 0.00 C ATOM 1622 C ARG A 106 1.441 -11.144 -4.513 1.00 0.00 C ATOM 1623 O ARG A 106 1.304 -10.081 -5.086 1.00 0.00 O ATOM 1624 CB ARG A 106 -0.938 -11.898 -4.413 1.00 0.00 C ATOM 1625 CG ARG A 106 -1.045 -13.360 -4.855 1.00 0.00 C ATOM 1626 CD ARG A 106 -2.269 -13.531 -5.756 1.00 0.00 C ATOM 1627 NE ARG A 106 -1.850 -13.454 -7.183 1.00 0.00 N ATOM 1628 CZ ARG A 106 -2.659 -13.858 -8.124 1.00 0.00 C ATOM 1629 NH1 ARG A 106 -3.838 -14.326 -7.815 1.00 0.00 N ATOM 1630 NH2 ARG A 106 -2.290 -13.794 -9.374 1.00 0.00 N ATOM 0 H ARG A 106 0.219 -9.759 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 106 0.666 -12.657 -3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.806 -11.624 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.934 -11.243 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.142 -13.657 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.128 -14.010 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.748 -14.490 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.004 -12.756 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.930 -13.085 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.127 -14.376 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.470 -14.642 -8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.369 -13.428 -9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.922 -14.110 -10.109 1.00 0.00 H new ATOM 1644 N LEU A 107 2.528 -11.853 -4.653 1.00 0.00 N ATOM 1645 CA LEU A 107 3.629 -11.360 -5.527 1.00 0.00 C ATOM 1646 C LEU A 107 3.442 -11.911 -6.941 1.00 0.00 C ATOM 1647 O LEU A 107 3.232 -13.092 -7.135 1.00 0.00 O ATOM 1648 CB LEU A 107 4.976 -11.830 -4.972 1.00 0.00 C ATOM 1649 CG LEU A 107 6.100 -11.346 -5.889 1.00 0.00 C ATOM 1650 CD1 LEU A 107 7.233 -10.758 -5.045 1.00 0.00 C ATOM 1651 CD2 LEU A 107 6.634 -12.524 -6.707 1.00 0.00 C ATOM 0 H LEU A 107 2.701 -12.751 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 107 3.609 -10.271 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.122 -11.442 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.993 -12.918 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 107 5.714 -10.580 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.033 -10.413 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.854 -9.918 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.619 -11.523 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.435 -12.179 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.019 -13.290 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.829 -12.943 -7.310 1.00 0.00 H new ATOM 1663 N GLU A 108 3.517 -11.065 -7.933 1.00 0.00 N ATOM 1664 CA GLU A 108 3.344 -11.543 -9.334 1.00 0.00 C ATOM 1665 C GLU A 108 4.705 -11.941 -9.908 1.00 0.00 C ATOM 1666 O GLU A 108 5.708 -11.923 -9.222 1.00 0.00 O ATOM 1667 CB GLU A 108 2.741 -10.423 -10.184 1.00 0.00 C ATOM 1668 CG GLU A 108 1.449 -9.924 -9.531 1.00 0.00 C ATOM 1669 CD GLU A 108 0.295 -10.043 -10.527 1.00 0.00 C ATOM 1670 OE1 GLU A 108 -0.318 -11.097 -10.571 1.00 0.00 O ATOM 1671 OE2 GLU A 108 0.043 -9.078 -11.230 1.00 0.00 O ATOM 0 H GLU A 108 3.690 -10.065 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 108 2.678 -12.406 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.452 -9.603 -10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.535 -10.787 -11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.233 -10.507 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.565 -8.887 -9.215 1.00 0.00 H new ATOM 1678 N SER A 109 4.748 -12.303 -11.160 1.00 0.00 N ATOM 1679 CA SER A 109 6.044 -12.702 -11.776 1.00 0.00 C ATOM 1680 C SER A 109 6.714 -11.473 -12.396 1.00 0.00 C ATOM 1681 O SER A 109 7.824 -11.540 -12.886 1.00 0.00 O ATOM 1682 CB SER A 109 5.793 -13.747 -12.864 1.00 0.00 C ATOM 1683 OG SER A 109 6.997 -14.457 -13.120 1.00 0.00 O ATOM 0 H SER A 109 3.941 -12.340 -11.783 1.00 0.00 H new ATOM 0 HA SER A 109 6.694 -13.124 -11.010 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.011 -14.437 -12.548 1.00 0.00 H new ATOM 0 HB3 SER A 109 5.442 -13.263 -13.775 1.00 0.00 H new ATOM 0 HG SER A 109 7.743 -13.824 -13.184 1.00 0.00 H new ATOM 1689 N ASN A 110 6.048 -10.350 -12.377 1.00 0.00 N ATOM 1690 CA ASN A 110 6.645 -9.119 -12.965 1.00 0.00 C ATOM 1691 C ASN A 110 7.363 -8.326 -11.870 1.00 0.00 C ATOM 1692 O ASN A 110 7.488 -7.120 -11.944 1.00 0.00 O ATOM 1693 CB ASN A 110 5.538 -8.258 -13.578 1.00 0.00 C ATOM 1694 CG ASN A 110 4.799 -9.065 -14.647 1.00 0.00 C ATOM 1695 OD1 ASN A 110 5.077 -8.937 -15.822 1.00 0.00 O ATOM 1696 ND2 ASN A 110 3.860 -9.898 -14.287 1.00 0.00 N ATOM 0 H ASN A 110 5.116 -10.233 -11.979 1.00 0.00 H new ATOM 0 HA ASN A 110 7.360 -9.396 -13.740 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.842 -7.936 -12.804 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.965 -7.356 -14.018 1.00 0.00 H new ATOM 0 HD21 ASN A 110 3.361 -10.440 -14.992 1.00 0.00 H new ATOM 0 HD22 ASN A 110 3.625 -10.007 -13.300 1.00 0.00 H new ATOM 1703 N ASN A 111 7.836 -9.000 -10.856 1.00 0.00 N ATOM 1704 CA ASN A 111 8.554 -8.301 -9.747 1.00 0.00 C ATOM 1705 C ASN A 111 7.603 -7.339 -9.027 1.00 0.00 C ATOM 1706 O ASN A 111 7.941 -6.774 -8.006 1.00 0.00 O ATOM 1707 CB ASN A 111 9.741 -7.517 -10.313 1.00 0.00 C ATOM 1708 CG ASN A 111 10.418 -8.335 -11.413 1.00 0.00 C ATOM 1709 OD1 ASN A 111 10.113 -9.497 -11.597 1.00 0.00 O ATOM 1710 ND2 ASN A 111 11.330 -7.775 -12.159 1.00 0.00 N ATOM 0 H ASN A 111 7.756 -10.011 -10.746 1.00 0.00 H new ATOM 0 HA ASN A 111 8.914 -9.045 -9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.401 -6.562 -10.713 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.455 -7.295 -9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.787 -8.312 -12.896 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.587 -6.800 -12.005 1.00 0.00 H new ATOM 1717 N TYR A 112 6.418 -7.150 -9.540 1.00 0.00 N ATOM 1718 CA TYR A 112 5.459 -6.228 -8.868 1.00 0.00 C ATOM 1719 C TYR A 112 4.721 -6.980 -7.759 1.00 0.00 C ATOM 1720 O TYR A 112 5.037 -8.111 -7.449 1.00 0.00 O ATOM 1721 CB TYR A 112 4.448 -5.700 -9.888 1.00 0.00 C ATOM 1722 CG TYR A 112 5.064 -4.562 -10.666 1.00 0.00 C ATOM 1723 CD1 TYR A 112 5.090 -3.274 -10.117 1.00 0.00 C ATOM 1724 CD2 TYR A 112 5.607 -4.792 -11.936 1.00 0.00 C ATOM 1725 CE1 TYR A 112 5.659 -2.217 -10.836 1.00 0.00 C ATOM 1726 CE2 TYR A 112 6.177 -3.735 -12.656 1.00 0.00 C ATOM 1727 CZ TYR A 112 6.203 -2.448 -12.106 1.00 0.00 C ATOM 1728 OH TYR A 112 6.764 -1.406 -12.815 1.00 0.00 O ATOM 0 H TYR A 112 6.073 -7.592 -10.392 1.00 0.00 H new ATOM 0 HA TYR A 112 6.007 -5.389 -8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 112 4.149 -6.499 -10.567 1.00 0.00 H new ATOM 0 HB3 TYR A 112 3.546 -5.360 -9.379 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.671 -3.096 -9.138 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.586 -5.785 -12.360 1.00 0.00 H new ATOM 0 HE1 TYR A 112 5.679 -1.224 -10.412 1.00 0.00 H new ATOM 0 HE2 TYR A 112 6.596 -3.913 -13.635 1.00 0.00 H new ATOM 0 HH TYR A 112 7.095 -1.737 -13.676 1.00 0.00 H new ATOM 1738 N ASN A 113 3.742 -6.361 -7.157 1.00 0.00 N ATOM 1739 CA ASN A 113 2.989 -7.042 -6.067 1.00 0.00 C ATOM 1740 C ASN A 113 1.525 -6.597 -6.096 1.00 0.00 C ATOM 1741 O ASN A 113 1.169 -5.642 -6.758 1.00 0.00 O ATOM 1742 CB ASN A 113 3.605 -6.677 -4.715 1.00 0.00 C ATOM 1743 CG ASN A 113 5.098 -7.015 -4.726 1.00 0.00 C ATOM 1744 OD1 ASN A 113 5.861 -6.422 -5.461 1.00 0.00 O ATOM 1745 ND2 ASN A 113 5.547 -7.949 -3.934 1.00 0.00 N ATOM 0 H ASN A 113 3.432 -5.414 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 113 3.042 -8.121 -6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.463 -5.615 -4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.104 -7.223 -3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.540 -8.182 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.905 -8.447 -3.317 1.00 0.00 H new ATOM 1752 N THR A 114 0.676 -7.286 -5.380 1.00 0.00 N ATOM 1753 CA THR A 114 -0.768 -6.911 -5.359 1.00 0.00 C ATOM 1754 C THR A 114 -1.324 -7.119 -3.949 1.00 0.00 C ATOM 1755 O THR A 114 -0.678 -7.695 -3.096 1.00 0.00 O ATOM 1756 CB THR A 114 -1.537 -7.792 -6.346 1.00 0.00 C ATOM 1757 OG1 THR A 114 -1.793 -9.056 -5.748 1.00 0.00 O ATOM 1758 CG2 THR A 114 -0.707 -7.985 -7.616 1.00 0.00 C ATOM 0 H THR A 114 0.921 -8.094 -4.808 1.00 0.00 H new ATOM 0 HA THR A 114 -0.879 -5.865 -5.644 1.00 0.00 H new ATOM 0 HB THR A 114 -2.481 -7.312 -6.603 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.287 -9.622 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.256 -8.613 -8.318 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.511 -7.015 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 114 0.239 -8.465 -7.363 1.00 0.00 H new ATOM 1766 N TYR A 115 -2.518 -6.652 -3.700 1.00 0.00 N ATOM 1767 CA TYR A 115 -3.120 -6.819 -2.346 1.00 0.00 C ATOM 1768 C TYR A 115 -4.624 -7.060 -2.486 1.00 0.00 C ATOM 1769 O TYR A 115 -5.369 -6.179 -2.866 1.00 0.00 O ATOM 1770 CB TYR A 115 -2.881 -5.553 -1.522 1.00 0.00 C ATOM 1771 CG TYR A 115 -1.407 -5.413 -1.229 1.00 0.00 C ATOM 1772 CD1 TYR A 115 -0.791 -6.271 -0.311 1.00 0.00 C ATOM 1773 CD2 TYR A 115 -0.654 -4.424 -1.875 1.00 0.00 C ATOM 1774 CE1 TYR A 115 0.576 -6.142 -0.037 1.00 0.00 C ATOM 1775 CE2 TYR A 115 0.714 -4.295 -1.603 1.00 0.00 C ATOM 1776 CZ TYR A 115 1.328 -5.155 -0.684 1.00 0.00 C ATOM 1777 OH TYR A 115 2.676 -5.028 -0.416 1.00 0.00 O ATOM 0 H TYR A 115 -3.103 -6.162 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 115 -2.659 -7.670 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -3.239 -4.679 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -3.445 -5.601 -0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.371 -7.034 0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.128 -3.761 -2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.050 -6.804 0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 115 1.295 -3.533 -2.102 1.00 0.00 H new ATOM 0 HH TYR A 115 3.046 -5.903 -0.176 1.00 0.00 H new ATOM 1787 N ARG A 116 -5.074 -8.247 -2.183 1.00 0.00 N ATOM 1788 CA ARG A 116 -6.528 -8.546 -2.300 1.00 0.00 C ATOM 1789 C ARG A 116 -7.205 -8.344 -0.942 1.00 0.00 C ATOM 1790 O ARG A 116 -6.625 -8.604 0.093 1.00 0.00 O ATOM 1791 CB ARG A 116 -6.712 -9.998 -2.748 1.00 0.00 C ATOM 1792 CG ARG A 116 -8.204 -10.321 -2.841 1.00 0.00 C ATOM 1793 CD ARG A 116 -8.389 -11.690 -3.499 1.00 0.00 C ATOM 1794 NE ARG A 116 -7.722 -12.734 -2.670 1.00 0.00 N ATOM 1795 CZ ARG A 116 -7.989 -13.995 -2.870 1.00 0.00 C ATOM 1796 NH1 ARG A 116 -8.838 -14.344 -3.798 1.00 0.00 N ATOM 1797 NH2 ARG A 116 -7.408 -14.909 -2.142 1.00 0.00 N ATOM 0 H ARG A 116 -4.496 -9.023 -1.859 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.978 -7.876 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -6.235 -10.154 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -6.227 -10.671 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -8.650 -10.320 -1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.718 -9.554 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -9.450 -11.915 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -7.966 -11.683 -4.503 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.057 -12.462 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -9.293 -13.630 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -9.046 -15.330 -3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.745 -14.637 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.617 -15.895 -2.299 1.00 0.00 H new ATOM 1811 N SER A 117 -8.427 -7.886 -0.937 1.00 0.00 N ATOM 1812 CA SER A 117 -9.132 -7.674 0.360 1.00 0.00 C ATOM 1813 C SER A 117 -9.315 -9.021 1.064 1.00 0.00 C ATOM 1814 O SER A 117 -9.213 -10.068 0.455 1.00 0.00 O ATOM 1815 CB SER A 117 -10.500 -7.043 0.100 1.00 0.00 C ATOM 1816 OG SER A 117 -11.341 -7.264 1.225 1.00 0.00 O ATOM 0 H SER A 117 -8.966 -7.650 -1.770 1.00 0.00 H new ATOM 0 HA SER A 117 -8.542 -7.010 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 117 -10.391 -5.974 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 117 -10.949 -7.475 -0.794 1.00 0.00 H new ATOM 0 HG SER A 117 -12.182 -6.774 1.106 1.00 0.00 H new ATOM 1822 N ARG A 118 -9.580 -9.006 2.342 1.00 0.00 N ATOM 1823 CA ARG A 118 -9.765 -10.289 3.080 1.00 0.00 C ATOM 1824 C ARG A 118 -11.248 -10.668 3.093 1.00 0.00 C ATOM 1825 O ARG A 118 -11.645 -11.679 2.549 1.00 0.00 O ATOM 1826 CB ARG A 118 -9.272 -10.129 4.521 1.00 0.00 C ATOM 1827 CG ARG A 118 -9.208 -11.505 5.192 1.00 0.00 C ATOM 1828 CD ARG A 118 -8.834 -11.347 6.672 1.00 0.00 C ATOM 1829 NE ARG A 118 -9.786 -12.114 7.547 1.00 0.00 N ATOM 1830 CZ ARG A 118 -11.080 -11.930 7.486 1.00 0.00 C ATOM 1831 NH1 ARG A 118 -11.580 -11.004 6.715 1.00 0.00 N ATOM 1832 NH2 ARG A 118 -11.875 -12.660 8.221 1.00 0.00 N ATOM 0 H ARG A 118 -9.676 -8.162 2.907 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.193 -11.073 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.288 -9.661 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.942 -9.472 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -10.171 -12.008 5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.473 -12.132 4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.816 -11.702 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.851 -10.292 6.946 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.413 -12.797 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -10.961 -10.418 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -12.590 -10.866 6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -11.487 -13.371 8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -12.884 -12.519 8.176 1.00 0.00 H new ATOM 1846 N LYS A 119 -12.069 -9.867 3.715 1.00 0.00 N ATOM 1847 CA LYS A 119 -13.524 -10.184 3.767 1.00 0.00 C ATOM 1848 C LYS A 119 -14.114 -10.134 2.357 1.00 0.00 C ATOM 1849 O LYS A 119 -14.826 -11.028 1.942 1.00 0.00 O ATOM 1850 CB LYS A 119 -14.236 -9.159 4.653 1.00 0.00 C ATOM 1851 CG LYS A 119 -15.623 -9.684 5.029 1.00 0.00 C ATOM 1852 CD LYS A 119 -15.601 -10.200 6.469 1.00 0.00 C ATOM 1853 CE LYS A 119 -16.983 -10.739 6.842 1.00 0.00 C ATOM 1854 NZ LYS A 119 -16.850 -11.713 7.963 1.00 0.00 N ATOM 0 H LYS A 119 -11.795 -9.007 4.189 1.00 0.00 H new ATOM 0 HA LYS A 119 -13.661 -11.183 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.650 -8.972 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.326 -8.208 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -16.364 -8.891 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.917 -10.484 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.853 -10.986 6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -15.317 -9.397 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.638 -9.919 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.442 -11.222 5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.789 -12.080 8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.239 -12.501 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.429 -11.238 8.787 1.00 0.00 H new ATOM 1868 N TYR A 120 -13.824 -9.095 1.619 1.00 0.00 N ATOM 1869 CA TYR A 120 -14.367 -8.979 0.236 1.00 0.00 C ATOM 1870 C TYR A 120 -13.298 -9.407 -0.772 1.00 0.00 C ATOM 1871 O TYR A 120 -12.839 -8.622 -1.578 1.00 0.00 O ATOM 1872 CB TYR A 120 -14.767 -7.527 -0.031 1.00 0.00 C ATOM 1873 CG TYR A 120 -15.421 -6.951 1.202 1.00 0.00 C ATOM 1874 CD1 TYR A 120 -16.690 -7.397 1.591 1.00 0.00 C ATOM 1875 CD2 TYR A 120 -14.761 -5.973 1.956 1.00 0.00 C ATOM 1876 CE1 TYR A 120 -17.298 -6.864 2.734 1.00 0.00 C ATOM 1877 CE2 TYR A 120 -15.369 -5.441 3.098 1.00 0.00 C ATOM 1878 CZ TYR A 120 -16.638 -5.886 3.488 1.00 0.00 C ATOM 1879 OH TYR A 120 -17.237 -5.361 4.614 1.00 0.00 O ATOM 0 H TYR A 120 -13.232 -8.320 1.917 1.00 0.00 H new ATOM 0 HA TYR A 120 -15.240 -9.624 0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -13.888 -6.940 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -15.453 -7.477 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -17.199 -8.151 1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -13.782 -5.629 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -18.277 -7.207 3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -14.859 -4.687 3.679 1.00 0.00 H new ATOM 0 HH TYR A 120 -16.937 -4.437 4.744 1.00 0.00 H new ATOM 1889 N THR A 121 -12.898 -10.648 -0.731 1.00 0.00 N ATOM 1890 CA THR A 121 -11.858 -11.132 -1.684 1.00 0.00 C ATOM 1891 C THR A 121 -12.346 -10.954 -3.125 1.00 0.00 C ATOM 1892 O THR A 121 -11.671 -11.322 -4.066 1.00 0.00 O ATOM 1893 CB THR A 121 -11.581 -12.615 -1.425 1.00 0.00 C ATOM 1894 OG1 THR A 121 -12.806 -13.282 -1.150 1.00 0.00 O ATOM 1895 CG2 THR A 121 -10.638 -12.761 -0.229 1.00 0.00 C ATOM 0 H THR A 121 -13.247 -11.349 -0.078 1.00 0.00 H new ATOM 0 HA THR A 121 -10.945 -10.555 -1.539 1.00 0.00 H new ATOM 0 HB THR A 121 -11.115 -13.057 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 121 -12.631 -14.232 -0.986 1.00 0.00 H new ATOM 0 HG21 THR A 121 -10.442 -13.818 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 121 -9.699 -12.250 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 121 -11.100 -12.320 0.654 1.00 0.00 H new ATOM 1903 N SER A 122 -13.511 -10.396 -3.310 1.00 0.00 N ATOM 1904 CA SER A 122 -14.031 -10.204 -4.692 1.00 0.00 C ATOM 1905 C SER A 122 -13.579 -8.845 -5.231 1.00 0.00 C ATOM 1906 O SER A 122 -14.082 -8.364 -6.227 1.00 0.00 O ATOM 1907 CB SER A 122 -15.559 -10.261 -4.674 1.00 0.00 C ATOM 1908 OG SER A 122 -15.979 -11.340 -3.848 1.00 0.00 O ATOM 0 H SER A 122 -14.124 -10.065 -2.565 1.00 0.00 H new ATOM 0 HA SER A 122 -13.643 -10.994 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 122 -15.965 -9.321 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 122 -15.942 -10.392 -5.686 1.00 0.00 H new ATOM 0 HG SER A 122 -16.958 -11.378 -3.833 1.00 0.00 H new ATOM 1914 N TRP A 123 -12.632 -8.219 -4.584 1.00 0.00 N ATOM 1915 CA TRP A 123 -12.154 -6.894 -5.070 1.00 0.00 C ATOM 1916 C TRP A 123 -10.719 -6.650 -4.595 1.00 0.00 C ATOM 1917 O TRP A 123 -10.331 -7.061 -3.516 1.00 0.00 O ATOM 1918 CB TRP A 123 -13.066 -5.790 -4.531 1.00 0.00 C ATOM 1919 CG TRP A 123 -14.302 -5.712 -5.371 1.00 0.00 C ATOM 1920 CD1 TRP A 123 -14.322 -5.457 -6.700 1.00 0.00 C ATOM 1921 CD2 TRP A 123 -15.690 -5.883 -4.966 1.00 0.00 C ATOM 1922 NE1 TRP A 123 -15.634 -5.463 -7.136 1.00 0.00 N ATOM 1923 CE2 TRP A 123 -16.515 -5.720 -6.104 1.00 0.00 C ATOM 1924 CE3 TRP A 123 -16.309 -6.161 -3.735 1.00 0.00 C ATOM 1925 CZ2 TRP A 123 -17.904 -5.830 -6.023 1.00 0.00 C ATOM 1926 CZ3 TRP A 123 -17.707 -6.273 -3.649 1.00 0.00 C ATOM 1927 CH2 TRP A 123 -18.502 -6.107 -4.792 1.00 0.00 C ATOM 0 H TRP A 123 -12.171 -8.567 -3.743 1.00 0.00 H new ATOM 0 HA TRP A 123 -12.176 -6.885 -6.160 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -13.330 -5.996 -3.494 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -12.544 -4.833 -4.543 1.00 0.00 H new ATOM 0 HD1 TRP A 123 -13.455 -5.278 -7.319 1.00 0.00 H new ATOM 0 HE1 TRP A 123 -15.917 -5.298 -8.102 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -15.706 -6.289 -2.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 -18.512 -5.702 -6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -18.171 -6.488 -2.698 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -19.576 -6.193 -4.720 1.00 0.00 H new ATOM 1938 N TYR A 124 -9.932 -5.982 -5.400 1.00 0.00 N ATOM 1939 CA TYR A 124 -8.518 -5.697 -5.020 1.00 0.00 C ATOM 1940 C TYR A 124 -8.371 -4.213 -4.681 1.00 0.00 C ATOM 1941 O TYR A 124 -9.241 -3.412 -4.962 1.00 0.00 O ATOM 1942 CB TYR A 124 -7.597 -6.039 -6.194 1.00 0.00 C ATOM 1943 CG TYR A 124 -7.561 -7.537 -6.391 1.00 0.00 C ATOM 1944 CD1 TYR A 124 -8.692 -8.206 -6.875 1.00 0.00 C ATOM 1945 CD2 TYR A 124 -6.397 -8.256 -6.092 1.00 0.00 C ATOM 1946 CE1 TYR A 124 -8.660 -9.593 -7.059 1.00 0.00 C ATOM 1947 CE2 TYR A 124 -6.366 -9.644 -6.276 1.00 0.00 C ATOM 1948 CZ TYR A 124 -7.496 -10.312 -6.760 1.00 0.00 C ATOM 1949 OH TYR A 124 -7.465 -11.680 -6.943 1.00 0.00 O ATOM 0 H TYR A 124 -10.212 -5.620 -6.311 1.00 0.00 H new ATOM 0 HA TYR A 124 -8.247 -6.299 -4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -7.952 -5.551 -7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -6.592 -5.663 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -9.589 -7.651 -7.106 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -5.524 -7.741 -5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -9.533 -10.109 -7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -5.469 -10.199 -6.044 1.00 0.00 H new ATOM 0 HH TYR A 124 -6.583 -12.024 -6.689 1.00 0.00 H new ATOM 1959 N VAL A 125 -7.275 -3.838 -4.081 1.00 0.00 N ATOM 1960 CA VAL A 125 -7.071 -2.404 -3.728 1.00 0.00 C ATOM 1961 C VAL A 125 -6.347 -1.697 -4.876 1.00 0.00 C ATOM 1962 O VAL A 125 -5.291 -2.115 -5.307 1.00 0.00 O ATOM 1963 CB VAL A 125 -6.227 -2.308 -2.456 1.00 0.00 C ATOM 1964 CG1 VAL A 125 -5.764 -0.864 -2.257 1.00 0.00 C ATOM 1965 CG2 VAL A 125 -7.069 -2.742 -1.254 1.00 0.00 C ATOM 0 H VAL A 125 -6.512 -4.462 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 125 -8.037 -1.928 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 125 -5.357 -2.959 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.163 -0.796 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.166 -0.552 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.633 -0.213 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -6.469 -2.674 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -7.938 -2.090 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.400 -3.771 -1.394 1.00 0.00 H new ATOM 1975 N ALA A 126 -6.906 -0.628 -5.374 1.00 0.00 N ATOM 1976 CA ALA A 126 -6.247 0.102 -6.495 1.00 0.00 C ATOM 1977 C ALA A 126 -6.691 1.566 -6.483 1.00 0.00 C ATOM 1978 O ALA A 126 -7.714 1.907 -5.923 1.00 0.00 O ATOM 1979 CB ALA A 126 -6.645 -0.541 -7.825 1.00 0.00 C ATOM 0 H ALA A 126 -7.789 -0.229 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 126 -5.165 0.051 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.164 -0.008 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.328 -1.584 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.727 -0.490 -7.944 1.00 0.00 H new ATOM 1985 N LEU A 127 -5.924 2.430 -7.099 1.00 0.00 N ATOM 1986 CA LEU A 127 -6.286 3.879 -7.134 1.00 0.00 C ATOM 1987 C LEU A 127 -6.743 4.259 -8.544 1.00 0.00 C ATOM 1988 O LEU A 127 -6.762 3.441 -9.442 1.00 0.00 O ATOM 1989 CB LEU A 127 -5.062 4.716 -6.756 1.00 0.00 C ATOM 1990 CG LEU A 127 -4.388 4.110 -5.526 1.00 0.00 C ATOM 1991 CD1 LEU A 127 -3.201 4.983 -5.111 1.00 0.00 C ATOM 1992 CD2 LEU A 127 -5.394 4.042 -4.375 1.00 0.00 C ATOM 0 H LEU A 127 -5.058 2.192 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 127 -7.094 4.069 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.360 4.749 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.361 5.744 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.036 3.106 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.720 4.550 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.483 5.034 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.553 5.987 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.914 3.610 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.745 5.047 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.241 3.421 -4.668 1.00 0.00 H new ATOM 2004 N LYS A 128 -7.109 5.496 -8.744 1.00 0.00 N ATOM 2005 CA LYS A 128 -7.564 5.934 -10.095 1.00 0.00 C ATOM 2006 C LYS A 128 -6.387 6.550 -10.854 1.00 0.00 C ATOM 2007 O LYS A 128 -5.446 5.873 -11.218 1.00 0.00 O ATOM 2008 CB LYS A 128 -8.673 6.978 -9.946 1.00 0.00 C ATOM 2009 CG LYS A 128 -9.841 6.377 -9.162 1.00 0.00 C ATOM 2010 CD LYS A 128 -10.948 7.422 -9.011 1.00 0.00 C ATOM 2011 CE LYS A 128 -12.194 6.960 -9.768 1.00 0.00 C ATOM 2012 NZ LYS A 128 -13.246 8.012 -9.684 1.00 0.00 N ATOM 0 H LYS A 128 -7.113 6.223 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 128 -7.944 5.074 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -8.290 7.859 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -9.012 7.306 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -10.225 5.497 -9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -9.502 6.047 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -11.183 7.568 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -10.610 8.383 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -11.946 6.761 -10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -12.564 6.026 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -14.093 7.698 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -13.489 8.181 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -12.891 8.893 -10.107 1.00 0.00 H new ATOM 2026 N ARG A 129 -6.433 7.831 -11.097 1.00 0.00 N ATOM 2027 CA ARG A 129 -5.320 8.492 -11.834 1.00 0.00 C ATOM 2028 C ARG A 129 -5.150 9.928 -11.327 1.00 0.00 C ATOM 2029 O ARG A 129 -4.056 10.457 -11.293 1.00 0.00 O ATOM 2030 CB ARG A 129 -5.637 8.500 -13.334 1.00 0.00 C ATOM 2031 CG ARG A 129 -6.717 9.557 -13.631 1.00 0.00 C ATOM 2032 CD ARG A 129 -6.095 10.954 -13.840 1.00 0.00 C ATOM 2033 NE ARG A 129 -6.482 11.515 -15.180 1.00 0.00 N ATOM 2034 CZ ARG A 129 -6.314 10.837 -16.288 1.00 0.00 C ATOM 2035 NH1 ARG A 129 -5.742 9.665 -16.269 1.00 0.00 N ATOM 2036 NH2 ARG A 129 -6.707 11.347 -17.424 1.00 0.00 N ATOM 0 H ARG A 129 -7.194 8.449 -10.816 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.393 7.944 -11.666 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -4.734 8.718 -13.905 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.983 7.515 -13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -7.275 9.269 -14.522 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.429 9.594 -12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.427 11.627 -13.049 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.009 10.888 -13.768 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.887 12.450 -15.228 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.421 9.268 -15.386 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.616 9.145 -17.137 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -7.142 12.269 -17.446 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.579 10.823 -18.290 1.00 0.00 H new ATOM 2050 N THR A 130 -6.220 10.563 -10.930 1.00 0.00 N ATOM 2051 CA THR A 130 -6.112 11.960 -10.423 1.00 0.00 C ATOM 2052 C THR A 130 -5.615 11.941 -8.976 1.00 0.00 C ATOM 2053 O THR A 130 -5.513 12.965 -8.331 1.00 0.00 O ATOM 2054 CB THR A 130 -7.486 12.634 -10.478 1.00 0.00 C ATOM 2055 OG1 THR A 130 -7.400 13.930 -9.902 1.00 0.00 O ATOM 2056 CG2 THR A 130 -8.501 11.795 -9.700 1.00 0.00 C ATOM 0 H THR A 130 -7.163 10.175 -10.935 1.00 0.00 H new ATOM 0 HA THR A 130 -5.409 12.516 -11.044 1.00 0.00 H new ATOM 0 HB THR A 130 -7.807 12.718 -11.516 1.00 0.00 H new ATOM 0 HG1 THR A 130 -6.634 13.967 -9.292 1.00 0.00 H new ATOM 0 HG21 THR A 130 -9.478 12.276 -9.740 1.00 0.00 H new ATOM 0 HG22 THR A 130 -8.567 10.801 -10.143 1.00 0.00 H new ATOM 0 HG23 THR A 130 -8.182 11.709 -8.661 1.00 0.00 H new ATOM 2064 N GLY A 131 -5.307 10.780 -8.462 1.00 0.00 N ATOM 2065 CA GLY A 131 -4.818 10.692 -7.056 1.00 0.00 C ATOM 2066 C GLY A 131 -5.993 10.389 -6.126 1.00 0.00 C ATOM 2067 O GLY A 131 -5.880 10.478 -4.919 1.00 0.00 O ATOM 0 H GLY A 131 -5.373 9.889 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -4.062 9.911 -6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -4.343 11.629 -6.766 1.00 0.00 H new ATOM 2071 N GLN A 132 -7.122 10.032 -6.677 1.00 0.00 N ATOM 2072 CA GLN A 132 -8.305 9.724 -5.826 1.00 0.00 C ATOM 2073 C GLN A 132 -8.362 8.219 -5.555 1.00 0.00 C ATOM 2074 O GLN A 132 -7.671 7.440 -6.181 1.00 0.00 O ATOM 2075 CB GLN A 132 -9.581 10.159 -6.551 1.00 0.00 C ATOM 2076 CG GLN A 132 -9.724 11.679 -6.464 1.00 0.00 C ATOM 2077 CD GLN A 132 -10.534 12.046 -5.218 1.00 0.00 C ATOM 2078 OE1 GLN A 132 -11.582 11.483 -4.974 1.00 0.00 O ATOM 2079 NE2 GLN A 132 -10.088 12.972 -4.415 1.00 0.00 N ATOM 0 H GLN A 132 -7.275 9.941 -7.681 1.00 0.00 H new ATOM 0 HA GLN A 132 -8.222 10.260 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -9.544 9.846 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -10.449 9.675 -6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -8.740 12.145 -6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -10.219 12.060 -7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -9.208 13.445 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -10.619 13.224 -3.582 1.00 0.00 H new ATOM 2088 N TYR A 133 -9.182 7.805 -4.629 1.00 0.00 N ATOM 2089 CA TYR A 133 -9.285 6.352 -4.318 1.00 0.00 C ATOM 2090 C TYR A 133 -10.306 5.700 -5.256 1.00 0.00 C ATOM 2091 O TYR A 133 -11.463 6.068 -5.284 1.00 0.00 O ATOM 2092 CB TYR A 133 -9.736 6.170 -2.867 1.00 0.00 C ATOM 2093 CG TYR A 133 -11.180 6.590 -2.731 1.00 0.00 C ATOM 2094 CD1 TYR A 133 -11.505 7.945 -2.594 1.00 0.00 C ATOM 2095 CD2 TYR A 133 -12.194 5.624 -2.740 1.00 0.00 C ATOM 2096 CE1 TYR A 133 -12.845 8.334 -2.468 1.00 0.00 C ATOM 2097 CE2 TYR A 133 -13.533 6.013 -2.613 1.00 0.00 C ATOM 2098 CZ TYR A 133 -13.858 7.368 -2.477 1.00 0.00 C ATOM 2099 OH TYR A 133 -15.178 7.751 -2.352 1.00 0.00 O ATOM 0 H TYR A 133 -9.786 8.411 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 133 -8.312 5.882 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -9.619 5.129 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -9.109 6.765 -2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -10.723 8.690 -2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -11.943 4.579 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -13.096 9.379 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -14.315 5.268 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 133 -15.753 6.958 -2.379 1.00 0.00 H new ATOM 2109 N LYS A 134 -9.885 4.734 -6.026 1.00 0.00 N ATOM 2110 CA LYS A 134 -10.831 4.062 -6.962 1.00 0.00 C ATOM 2111 C LYS A 134 -11.831 3.227 -6.161 1.00 0.00 C ATOM 2112 O LYS A 134 -11.466 2.496 -5.262 1.00 0.00 O ATOM 2113 CB LYS A 134 -10.048 3.151 -7.912 1.00 0.00 C ATOM 2114 CG LYS A 134 -11.013 2.479 -8.891 1.00 0.00 C ATOM 2115 CD LYS A 134 -10.270 2.131 -10.182 1.00 0.00 C ATOM 2116 CE LYS A 134 -11.221 1.414 -11.142 1.00 0.00 C ATOM 2117 NZ LYS A 134 -10.604 1.350 -12.497 1.00 0.00 N ATOM 0 H LYS A 134 -8.928 4.381 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 134 -11.367 4.814 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -9.305 3.732 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -9.506 2.395 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.431 1.577 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -11.849 3.144 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -9.883 3.038 -10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -9.413 1.495 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -11.431 0.408 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -12.174 1.942 -11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -11.189 1.885 -13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.650 1.762 -12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -10.542 0.358 -12.804 1.00 0.00 H new ATOM 2131 N LEU A 135 -13.093 3.329 -6.480 1.00 0.00 N ATOM 2132 CA LEU A 135 -14.116 2.543 -5.736 1.00 0.00 C ATOM 2133 C LEU A 135 -13.800 1.050 -5.869 1.00 0.00 C ATOM 2134 O LEU A 135 -13.440 0.574 -6.928 1.00 0.00 O ATOM 2135 CB LEU A 135 -15.502 2.830 -6.322 1.00 0.00 C ATOM 2136 CG LEU A 135 -16.592 2.464 -5.303 1.00 0.00 C ATOM 2137 CD1 LEU A 135 -16.536 3.408 -4.096 1.00 0.00 C ATOM 2138 CD2 LEU A 135 -17.968 2.584 -5.966 1.00 0.00 C ATOM 0 H LEU A 135 -13.459 3.923 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 135 -14.103 2.825 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -15.582 3.884 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -15.643 2.258 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 135 -16.425 1.441 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -17.315 3.135 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -15.561 3.327 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -16.693 4.434 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -18.743 2.325 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -18.119 3.608 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -18.022 1.905 -6.817 1.00 0.00 H new ATOM 2150 N GLY A 136 -13.927 0.309 -4.802 1.00 0.00 N ATOM 2151 CA GLY A 136 -13.630 -1.149 -4.866 1.00 0.00 C ATOM 2152 C GLY A 136 -14.715 -1.866 -5.671 1.00 0.00 C ATOM 2153 O GLY A 136 -14.797 -3.078 -5.677 1.00 0.00 O ATOM 0 H GLY A 136 -14.224 0.651 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -12.656 -1.311 -5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -13.578 -1.563 -3.859 1.00 0.00 H new ATOM 2157 N SER A 137 -15.549 -1.127 -6.353 1.00 0.00 N ATOM 2158 CA SER A 137 -16.628 -1.769 -7.158 1.00 0.00 C ATOM 2159 C SER A 137 -16.154 -1.940 -8.602 1.00 0.00 C ATOM 2160 O SER A 137 -16.446 -2.927 -9.249 1.00 0.00 O ATOM 2161 CB SER A 137 -17.876 -0.887 -7.134 1.00 0.00 C ATOM 2162 OG SER A 137 -17.590 0.348 -7.779 1.00 0.00 O ATOM 0 H SER A 137 -15.530 -0.108 -6.387 1.00 0.00 H new ATOM 0 HA SER A 137 -16.864 -2.745 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 137 -18.701 -1.391 -7.637 1.00 0.00 H new ATOM 0 HB3 SER A 137 -18.190 -0.709 -6.106 1.00 0.00 H new ATOM 0 HG SER A 137 -18.359 0.618 -8.324 1.00 0.00 H new ATOM 2168 N LYS A 138 -15.425 -0.986 -9.114 1.00 0.00 N ATOM 2169 CA LYS A 138 -14.936 -1.095 -10.518 1.00 0.00 C ATOM 2170 C LYS A 138 -13.589 -1.821 -10.534 1.00 0.00 C ATOM 2171 O LYS A 138 -13.049 -2.123 -11.580 1.00 0.00 O ATOM 2172 CB LYS A 138 -14.766 0.307 -11.108 1.00 0.00 C ATOM 2173 CG LYS A 138 -16.132 0.989 -11.204 1.00 0.00 C ATOM 2174 CD LYS A 138 -15.942 2.506 -11.266 1.00 0.00 C ATOM 2175 CE LYS A 138 -17.308 3.189 -11.349 1.00 0.00 C ATOM 2176 NZ LYS A 138 -17.129 4.668 -11.318 1.00 0.00 N ATOM 0 H LYS A 138 -15.147 -0.137 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 138 -15.658 -1.655 -11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -14.096 0.897 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -14.309 0.245 -12.095 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -16.662 0.642 -12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -16.744 0.723 -10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -15.404 2.852 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -15.337 2.772 -12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -17.819 2.893 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -17.936 2.871 -10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -18.058 5.131 -11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -16.659 4.942 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -16.545 4.964 -12.126 1.00 0.00 H new ATOM 2190 N THR A 139 -13.041 -2.105 -9.384 1.00 0.00 N ATOM 2191 CA THR A 139 -11.731 -2.812 -9.338 1.00 0.00 C ATOM 2192 C THR A 139 -11.919 -4.265 -9.780 1.00 0.00 C ATOM 2193 O THR A 139 -13.006 -4.805 -9.724 1.00 0.00 O ATOM 2194 CB THR A 139 -11.185 -2.780 -7.908 1.00 0.00 C ATOM 2195 OG1 THR A 139 -12.183 -3.249 -7.012 1.00 0.00 O ATOM 2196 CG2 THR A 139 -10.797 -1.348 -7.539 1.00 0.00 C ATOM 0 H THR A 139 -13.444 -1.878 -8.475 1.00 0.00 H new ATOM 0 HA THR A 139 -11.027 -2.317 -10.007 1.00 0.00 H new ATOM 0 HB THR A 139 -10.305 -3.420 -7.840 1.00 0.00 H new ATOM 0 HG1 THR A 139 -11.835 -3.231 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 139 -10.409 -1.327 -6.521 1.00 0.00 H new ATOM 0 HG22 THR A 139 -10.031 -0.990 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 139 -11.674 -0.705 -7.606 1.00 0.00 H new ATOM 2204 N GLY A 140 -10.868 -4.902 -10.220 1.00 0.00 N ATOM 2205 CA GLY A 140 -10.989 -6.320 -10.666 1.00 0.00 C ATOM 2206 C GLY A 140 -9.786 -6.679 -11.544 1.00 0.00 C ATOM 2207 O GLY A 140 -8.921 -5.855 -11.767 1.00 0.00 O ATOM 0 H GLY A 140 -9.932 -4.503 -10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -11.034 -6.983 -9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -11.915 -6.460 -11.223 1.00 0.00 H new ATOM 2211 N PRO A 141 -9.761 -7.901 -12.022 1.00 0.00 N ATOM 2212 CA PRO A 141 -8.662 -8.379 -12.880 1.00 0.00 C ATOM 2213 C PRO A 141 -8.587 -7.539 -14.158 1.00 0.00 C ATOM 2214 O PRO A 141 -9.539 -6.890 -14.543 1.00 0.00 O ATOM 2215 CB PRO A 141 -9.023 -9.834 -13.209 1.00 0.00 C ATOM 2216 CG PRO A 141 -10.362 -10.160 -12.499 1.00 0.00 C ATOM 2217 CD PRO A 141 -10.814 -8.897 -11.749 1.00 0.00 C ATOM 0 HA PRO A 141 -7.690 -8.301 -12.393 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -9.118 -9.970 -14.286 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -8.237 -10.509 -12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -11.116 -10.464 -13.225 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -10.235 -10.991 -11.806 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -11.786 -8.553 -12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -10.913 -9.086 -10.680 1.00 0.00 H new ATOM 2225 N GLY A 142 -7.460 -7.545 -14.818 1.00 0.00 N ATOM 2226 CA GLY A 142 -7.325 -6.746 -16.069 1.00 0.00 C ATOM 2227 C GLY A 142 -6.788 -5.355 -15.732 1.00 0.00 C ATOM 2228 O GLY A 142 -6.143 -4.715 -16.539 1.00 0.00 O ATOM 0 H GLY A 142 -6.628 -8.068 -14.545 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -6.651 -7.249 -16.763 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -8.292 -6.663 -16.566 1.00 0.00 H new ATOM 2232 N GLN A 143 -7.047 -4.880 -14.543 1.00 0.00 N ATOM 2233 CA GLN A 143 -6.550 -3.531 -14.155 1.00 0.00 C ATOM 2234 C GLN A 143 -5.114 -3.644 -13.640 1.00 0.00 C ATOM 2235 O GLN A 143 -4.817 -4.442 -12.772 1.00 0.00 O ATOM 2236 CB GLN A 143 -7.442 -2.957 -13.052 1.00 0.00 C ATOM 2237 CG GLN A 143 -8.735 -2.417 -13.668 1.00 0.00 C ATOM 2238 CD GLN A 143 -9.837 -2.402 -12.607 1.00 0.00 C ATOM 2239 OE1 GLN A 143 -10.474 -1.289 -12.361 1.00 0.00 O flip ATOM 2240 NE2 GLN A 143 -10.122 -3.412 -11.997 1.00 0.00 N flip ATOM 0 H GLN A 143 -7.581 -5.369 -13.825 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.574 -2.872 -15.023 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.672 -3.729 -12.317 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -6.918 -2.160 -12.524 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -8.574 -1.411 -14.055 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.036 -3.038 -14.512 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -9.624 -4.281 -12.189 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -10.859 -3.391 -11.292 1.00 0.00 H new ATOM 2249 N LYS A 144 -4.220 -2.853 -14.168 1.00 0.00 N ATOM 2250 CA LYS A 144 -2.804 -2.917 -13.708 1.00 0.00 C ATOM 2251 C LYS A 144 -2.645 -2.085 -12.433 1.00 0.00 C ATOM 2252 O LYS A 144 -1.588 -2.044 -11.837 1.00 0.00 O ATOM 2253 CB LYS A 144 -1.888 -2.359 -14.799 1.00 0.00 C ATOM 2254 CG LYS A 144 -2.272 -2.969 -16.148 1.00 0.00 C ATOM 2255 CD LYS A 144 -1.126 -2.771 -17.143 1.00 0.00 C ATOM 2256 CE LYS A 144 -0.741 -1.291 -17.191 1.00 0.00 C ATOM 2257 NZ LYS A 144 0.190 -0.984 -16.069 1.00 0.00 N ATOM 0 H LYS A 144 -4.409 -2.166 -14.898 1.00 0.00 H new ATOM 0 HA LYS A 144 -2.534 -3.953 -13.502 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -1.974 -1.273 -14.841 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -0.848 -2.587 -14.567 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.486 -4.031 -16.031 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.181 -2.500 -16.526 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -0.266 -3.372 -16.847 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -1.428 -3.111 -18.134 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -0.268 -1.058 -18.145 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.633 -0.669 -17.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 0.817 -0.201 -16.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -0.358 -0.711 -15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 0.762 -1.825 -15.852 1.00 0.00 H new ATOM 2271 N ALA A 145 -3.687 -1.423 -12.012 1.00 0.00 N ATOM 2272 CA ALA A 145 -3.595 -0.595 -10.778 1.00 0.00 C ATOM 2273 C ALA A 145 -3.273 -1.495 -9.582 1.00 0.00 C ATOM 2274 O ALA A 145 -2.887 -1.027 -8.528 1.00 0.00 O ATOM 2275 CB ALA A 145 -4.930 0.114 -10.539 1.00 0.00 C ATOM 0 H ALA A 145 -4.598 -1.420 -12.470 1.00 0.00 H new ATOM 0 HA ALA A 145 -2.806 0.147 -10.896 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -4.863 0.720 -9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -5.159 0.755 -11.390 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -5.720 -0.628 -10.421 1.00 0.00 H new ATOM 2281 N ILE A 146 -3.426 -2.781 -9.737 1.00 0.00 N ATOM 2282 CA ILE A 146 -3.126 -3.707 -8.609 1.00 0.00 C ATOM 2283 C ILE A 146 -1.631 -4.029 -8.597 1.00 0.00 C ATOM 2284 O ILE A 146 -1.158 -4.801 -7.787 1.00 0.00 O ATOM 2285 CB ILE A 146 -3.924 -5.000 -8.785 1.00 0.00 C ATOM 2286 CG1 ILE A 146 -3.513 -5.679 -10.092 1.00 0.00 C ATOM 2287 CG2 ILE A 146 -5.419 -4.675 -8.830 1.00 0.00 C ATOM 2288 CD1 ILE A 146 -4.598 -6.669 -10.518 1.00 0.00 C ATOM 0 H ILE A 146 -3.745 -3.230 -10.595 1.00 0.00 H new ATOM 0 HA ILE A 146 -3.403 -3.234 -7.667 1.00 0.00 H new ATOM 0 HB ILE A 146 -3.721 -5.668 -7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -3.363 -4.931 -10.871 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -2.564 -6.198 -9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -5.988 -5.596 -8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -5.714 -4.190 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -5.621 -4.007 -9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -4.304 -7.152 -11.450 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -4.727 -7.424 -9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -5.538 -6.137 -10.666 1.00 0.00 H new ATOM 2300 N LEU A 147 -0.882 -3.442 -9.491 1.00 0.00 N ATOM 2301 CA LEU A 147 0.582 -3.714 -9.532 1.00 0.00 C ATOM 2302 C LEU A 147 1.316 -2.688 -8.668 1.00 0.00 C ATOM 2303 O LEU A 147 1.705 -1.635 -9.133 1.00 0.00 O ATOM 2304 CB LEU A 147 1.081 -3.613 -10.975 1.00 0.00 C ATOM 2305 CG LEU A 147 0.278 -4.564 -11.867 1.00 0.00 C ATOM 2306 CD1 LEU A 147 0.768 -4.447 -13.312 1.00 0.00 C ATOM 2307 CD2 LEU A 147 0.464 -6.005 -11.383 1.00 0.00 C ATOM 0 H LEU A 147 -1.221 -2.786 -10.194 1.00 0.00 H new ATOM 0 HA LEU A 147 0.775 -4.717 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 147 0.979 -2.589 -11.334 1.00 0.00 H new ATOM 0 HB3 LEU A 147 2.141 -3.863 -11.022 1.00 0.00 H new ATOM 0 HG LEU A 147 -0.778 -4.298 -11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 147 0.196 -5.124 -13.946 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.633 -3.423 -13.660 1.00 0.00 H new ATOM 0 HD13 LEU A 147 1.825 -4.710 -13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -0.109 -6.679 -12.020 1.00 0.00 H new ATOM 0 HD22 LEU A 147 1.520 -6.271 -11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 147 0.113 -6.092 -10.355 1.00 0.00 H new ATOM 2319 N PHE A 148 1.511 -2.986 -7.411 1.00 0.00 N ATOM 2320 CA PHE A 148 2.221 -2.029 -6.516 1.00 0.00 C ATOM 2321 C PHE A 148 3.706 -2.393 -6.458 1.00 0.00 C ATOM 2322 O PHE A 148 4.109 -3.459 -6.880 1.00 0.00 O ATOM 2323 CB PHE A 148 1.622 -2.107 -5.111 1.00 0.00 C ATOM 2324 CG PHE A 148 0.318 -1.346 -5.075 1.00 0.00 C ATOM 2325 CD1 PHE A 148 -0.860 -1.953 -5.527 1.00 0.00 C ATOM 2326 CD2 PHE A 148 0.286 -0.034 -4.589 1.00 0.00 C ATOM 2327 CE1 PHE A 148 -2.069 -1.248 -5.494 1.00 0.00 C ATOM 2328 CE2 PHE A 148 -0.923 0.672 -4.555 1.00 0.00 C ATOM 2329 CZ PHE A 148 -2.101 0.064 -5.007 1.00 0.00 C ATOM 0 H PHE A 148 1.208 -3.852 -6.966 1.00 0.00 H new ATOM 0 HA PHE A 148 2.110 -1.016 -6.903 1.00 0.00 H new ATOM 0 HB2 PHE A 148 1.456 -3.148 -4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 148 2.319 -1.690 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -0.836 -2.966 -5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.194 0.434 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.977 -1.716 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -0.947 1.685 -4.180 1.00 0.00 H new ATOM 0 HZ PHE A 148 -3.034 0.607 -4.980 1.00 0.00 H new ATOM 2339 N LEU A 149 4.518 -1.514 -5.936 1.00 0.00 N ATOM 2340 CA LEU A 149 5.979 -1.800 -5.845 1.00 0.00 C ATOM 2341 C LEU A 149 6.524 -1.247 -4.522 1.00 0.00 C ATOM 2342 O LEU A 149 7.250 -0.273 -4.518 1.00 0.00 O ATOM 2343 CB LEU A 149 6.698 -1.116 -7.014 1.00 0.00 C ATOM 2344 CG LEU A 149 8.169 -1.555 -7.053 1.00 0.00 C ATOM 2345 CD1 LEU A 149 8.270 -3.052 -7.368 1.00 0.00 C ATOM 2346 CD2 LEU A 149 8.906 -0.761 -8.134 1.00 0.00 C ATOM 0 H LEU A 149 4.232 -0.607 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 149 6.147 -2.876 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.208 -1.372 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 149 6.636 -0.033 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 149 8.620 -1.366 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.319 -3.349 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 149 7.749 -3.622 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 149 7.814 -3.251 -8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 149 9.951 -1.070 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 149 8.444 -0.950 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 149 8.849 0.303 -7.906 1.00 0.00 H new ATOM 2358 N PRO A 150 6.149 -1.876 -3.432 1.00 0.00 N ATOM 2359 CA PRO A 150 6.589 -1.441 -2.094 1.00 0.00 C ATOM 2360 C PRO A 150 8.111 -1.560 -1.967 1.00 0.00 C ATOM 2361 O PRO A 150 8.650 -2.640 -1.837 1.00 0.00 O ATOM 2362 CB PRO A 150 5.888 -2.396 -1.118 1.00 0.00 C ATOM 2363 CG PRO A 150 5.016 -3.368 -1.955 1.00 0.00 C ATOM 2364 CD PRO A 150 5.263 -3.056 -3.439 1.00 0.00 C ATOM 0 HA PRO A 150 6.339 -0.399 -1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 150 6.621 -2.949 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 150 5.271 -1.838 -0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 150 5.276 -4.403 -1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 150 3.961 -3.245 -1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 150 5.730 -3.899 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 150 4.329 -2.847 -3.960 1.00 0.00 H new ATOM 2372 N MET A 151 8.804 -0.453 -1.999 1.00 0.00 N ATOM 2373 CA MET A 151 10.288 -0.497 -1.878 1.00 0.00 C ATOM 2374 C MET A 151 10.685 -0.279 -0.416 1.00 0.00 C ATOM 2375 O MET A 151 10.302 0.693 0.202 1.00 0.00 O ATOM 2376 CB MET A 151 10.905 0.607 -2.742 1.00 0.00 C ATOM 2377 CG MET A 151 10.141 0.706 -4.064 1.00 0.00 C ATOM 2378 SD MET A 151 11.071 1.742 -5.221 1.00 0.00 S ATOM 2379 CE MET A 151 9.649 2.426 -6.107 1.00 0.00 C ATOM 0 H MET A 151 8.405 0.480 -2.104 1.00 0.00 H new ATOM 0 HA MET A 151 10.651 -1.468 -2.215 1.00 0.00 H new ATOM 0 HB2 MET A 151 10.867 1.560 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 151 11.956 0.390 -2.932 1.00 0.00 H new ATOM 0 HG2 MET A 151 9.994 -0.288 -4.487 1.00 0.00 H new ATOM 0 HG3 MET A 151 9.151 1.130 -3.894 1.00 0.00 H new ATOM 0 HE1 MET A 151 9.917 2.594 -7.150 1.00 0.00 H new ATOM 0 HE2 MET A 151 8.816 1.725 -6.055 1.00 0.00 H new ATOM 0 HE3 MET A 151 9.356 3.372 -5.651 1.00 0.00 H new ATOM 2389 N SER A 152 11.448 -1.179 0.142 1.00 0.00 N ATOM 2390 CA SER A 152 11.866 -1.022 1.564 1.00 0.00 C ATOM 2391 C SER A 152 12.851 0.143 1.682 1.00 0.00 C ATOM 2392 O SER A 152 13.739 0.303 0.867 1.00 0.00 O ATOM 2393 CB SER A 152 12.537 -2.309 2.042 1.00 0.00 C ATOM 2394 OG SER A 152 12.876 -2.179 3.416 1.00 0.00 O ATOM 0 H SER A 152 11.800 -2.015 -0.325 1.00 0.00 H new ATOM 0 HA SER A 152 10.990 -0.819 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.867 -3.157 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 152 13.432 -2.507 1.452 1.00 0.00 H new ATOM 0 HG SER A 152 13.305 -3.004 3.726 1.00 0.00 H new ATOM 2400 N ALA A 153 12.702 0.957 2.691 1.00 0.00 N ATOM 2401 CA ALA A 153 13.630 2.110 2.861 1.00 0.00 C ATOM 2402 C ALA A 153 14.810 1.691 3.739 1.00 0.00 C ATOM 2403 O ALA A 153 15.078 2.289 4.762 1.00 0.00 O ATOM 2404 CB ALA A 153 12.885 3.269 3.527 1.00 0.00 C ATOM 0 H ALA A 153 11.978 0.873 3.405 1.00 0.00 H new ATOM 0 HA ALA A 153 13.999 2.427 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 153 13.563 4.113 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 153 12.044 3.568 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 153 12.517 2.952 4.503 1.00 0.00 H new ATOM 2410 N LYS A 154 15.518 0.667 3.348 1.00 0.00 N ATOM 2411 CA LYS A 154 16.680 0.211 4.161 1.00 0.00 C ATOM 2412 C LYS A 154 17.899 1.079 3.844 1.00 0.00 C ATOM 2413 O LYS A 154 18.476 1.698 4.715 1.00 0.00 O ATOM 2414 CB LYS A 154 16.994 -1.250 3.829 1.00 0.00 C ATOM 2415 CG LYS A 154 16.007 -2.163 4.560 1.00 0.00 C ATOM 2416 CD LYS A 154 16.112 -3.583 3.998 1.00 0.00 C ATOM 2417 CE LYS A 154 17.544 -4.094 4.167 1.00 0.00 C ATOM 2418 NZ LYS A 154 18.382 -3.608 3.034 1.00 0.00 N ATOM 0 H LYS A 154 15.342 0.127 2.501 1.00 0.00 H new ATOM 0 HA LYS A 154 16.438 0.299 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 154 16.927 -1.412 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 154 18.015 -1.490 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 154 16.222 -2.167 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.991 -1.787 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 154 15.416 -4.243 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 154 15.834 -3.590 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 154 17.956 -3.746 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 154 17.551 -5.184 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 18.729 -4.421 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 17.812 -2.993 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 19.191 -3.071 3.406 1.00 0.00 H new ATOM 2432 N SER A 155 18.293 1.132 2.600 1.00 0.00 N ATOM 2433 CA SER A 155 19.474 1.961 2.227 1.00 0.00 C ATOM 2434 C SER A 155 19.005 3.351 1.791 1.00 0.00 C ATOM 2435 O SER A 155 18.611 3.489 0.644 1.00 0.00 O ATOM 2436 CB SER A 155 20.223 1.292 1.073 1.00 0.00 C ATOM 2437 OG SER A 155 21.406 0.684 1.572 1.00 0.00 O ATOM 2438 OXT SER A 155 19.049 4.253 2.612 1.00 0.00 O ATOM 0 H SER A 155 17.848 0.637 1.827 1.00 0.00 H new ATOM 0 HA SER A 155 20.138 2.054 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 155 19.589 0.544 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 155 20.473 2.029 0.310 1.00 0.00 H new ATOM 0 HG SER A 155 21.888 0.253 0.836 1.00 0.00 H new TER 2444 SER A 155