USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1132 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 56 MET CE :methyl -117:sc= -2.09! (180deg=-2.81) USER MOD Set 1.2: A 123 MET CE :methyl 152:sc= -3.51 (180deg=-3.97!) USER MOD Set 1.3: A 133 TYR OH : rot 80:sc= -0.845 USER MOD Set 2.1: A 91 GLN : amide:sc= -2.26! K(o=-8.5!,f=-3.1) USER MOD Set 2.2: A 95 ASN : amide:sc= -6.26! K(o=-8.5!,f=-3.1) USER MOD Set 3.1: A 33 SER OG : rot -100:sc= 1.17 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -126:sc= -2.92! (180deg=0) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -4.79! C(o=-6.5!,f=-3.1!) USER MOD Set 4.1: A 20 ASN : amide:sc= -0.128 K(o=-0.23,f=-2.3!) USER MOD Set 4.2: A 67 LYS NZ :NH3+ 150:sc= -0.103 (180deg=-0.808) USER MOD Set 5.1: A 26 TYR OH : rot 0:sc= 0.0889 USER MOD Set 5.2: A 102 TYR OH : rot -100:sc= -0.726 USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.0683 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0528 USER MOD Single : A 9 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.1) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 12 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.74) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.105 K(o=0.1,f=-0.44) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.037) USER MOD Single : A 45 THR OG1 : rot -132:sc= 0.277 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.32) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.39) USER MOD Single : A 63 SER OG : rot -82:sc= 0.633 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-0.9) USER MOD Single : A 76 MET CE :methyl -121:sc=-0.00575 (180deg=-0.0731) USER MOD Single : A 83 GLN : amide:sc= -0.815 X(o=-0.82,f=-0.82) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.48 K(o=-0.48,f=-5.2!) USER MOD Single : A 86 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-4.7!) USER MOD Single : A 87 GLN : amide:sc= 0.00283 K(o=0.0028,f=-1!) USER MOD Single : A 93 GLN : amide:sc= -0.473 K(o=-0.47,f=-1.2!) USER MOD Single : A 94 LYS NZ :NH3+ -133:sc= -0.164 (180deg=-0.996) USER MOD Single : A 96 GLN : amide:sc= -0.895 K(o=-0.9,f=-0.39) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.566 K(o=-0.57,f=-2!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -113:sc= 0.476 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot -42:sc= 0.73 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 160.772 7.215 16.300 1.00 1.00 N ATOM 2 CA ALA A 1 160.379 8.607 16.475 1.00 1.00 C ATOM 3 C ALA A 1 161.607 9.508 16.541 1.00 1.00 C ATOM 4 O ALA A 1 162.677 9.085 16.977 1.00 1.00 O ATOM 5 CB ALA A 1 159.567 8.765 17.759 1.00 1.00 C ATOM 0 H1 ALA A 1 160.245 6.619 16.969 1.00 1.00 H new ATOM 0 H2 ALA A 1 160.560 6.914 15.327 1.00 1.00 H new ATOM 0 H3 ALA A 1 161.792 7.117 16.478 1.00 1.00 H new ATOM 0 HA ALA A 1 159.770 8.899 15.619 1.00 1.00 H new ATOM 0 HB1 ALA A 1 159.278 9.809 17.881 1.00 1.00 H new ATOM 0 HB2 ALA A 1 158.672 8.145 17.702 1.00 1.00 H new ATOM 0 HB3 ALA A 1 160.170 8.454 18.612 1.00 1.00 H new ATOM 11 N ARG A 2 161.436 10.751 16.106 1.00 1.00 N ATOM 12 CA ARG A 2 162.527 11.718 16.115 1.00 1.00 C ATOM 13 C ARG A 2 162.117 12.955 16.902 1.00 1.00 C ATOM 14 O ARG A 2 160.937 13.299 16.961 1.00 1.00 O ATOM 15 CB ARG A 2 162.882 12.123 14.686 1.00 1.00 C ATOM 16 CG ARG A 2 163.505 10.935 13.954 1.00 1.00 C ATOM 17 CD ARG A 2 163.800 11.334 12.508 1.00 1.00 C ATOM 18 NE ARG A 2 164.363 10.205 11.775 1.00 1.00 N ATOM 19 CZ ARG A 2 164.690 10.316 10.491 1.00 1.00 C ATOM 20 NH1 ARG A 2 164.513 11.451 9.872 1.00 1.00 N ATOM 21 NH2 ARG A 2 165.187 9.292 9.849 1.00 1.00 N ATOM 0 H ARG A 2 160.554 11.112 15.743 1.00 1.00 H new ATOM 0 HA ARG A 2 163.396 11.259 16.586 1.00 1.00 H new ATOM 0 HB2 ARG A 2 161.988 12.459 14.160 1.00 1.00 H new ATOM 0 HB3 ARG A 2 163.579 12.961 14.698 1.00 1.00 H new ATOM 0 HG2 ARG A 2 164.423 10.626 14.453 1.00 1.00 H new ATOM 0 HG3 ARG A 2 162.827 10.082 13.977 1.00 1.00 H new ATOM 0 HD2 ARG A 2 162.884 11.671 12.023 1.00 1.00 H new ATOM 0 HD3 ARG A 2 164.497 12.172 12.490 1.00 1.00 H new ATOM 0 HE ARG A 2 164.508 9.317 12.255 1.00 1.00 H new ATOM 0 HH11 ARG A 2 164.125 12.250 10.373 1.00 1.00 H new ATOM 0 HH12 ARG A 2 164.763 11.539 8.887 1.00 1.00 H new ATOM 0 HH21 ARG A 2 165.325 8.405 10.333 1.00 1.00 H new ATOM 0 HH22 ARG A 2 165.437 9.380 8.864 1.00 1.00 H new ATOM 35 N ARG A 3 163.092 13.617 17.512 1.00 1.00 N ATOM 36 CA ARG A 3 162.803 14.809 18.298 1.00 1.00 C ATOM 37 C ARG A 3 162.207 15.902 17.417 1.00 1.00 C ATOM 38 O ARG A 3 161.244 16.564 17.804 1.00 1.00 O ATOM 39 CB ARG A 3 164.079 15.321 18.969 1.00 1.00 C ATOM 40 CG ARG A 3 163.738 16.512 19.865 1.00 1.00 C ATOM 41 CD ARG A 3 164.990 16.982 20.601 1.00 1.00 C ATOM 42 NE ARG A 3 164.630 17.993 21.587 1.00 1.00 N ATOM 43 CZ ARG A 3 165.558 18.702 22.218 1.00 1.00 C ATOM 44 NH1 ARG A 3 166.820 18.494 21.967 1.00 1.00 N ATOM 45 NH2 ARG A 3 165.205 19.602 23.095 1.00 1.00 N ATOM 0 H ARG A 3 164.077 13.353 17.479 1.00 1.00 H new ATOM 0 HA ARG A 3 162.076 14.545 19.066 1.00 1.00 H new ATOM 0 HB2 ARG A 3 164.537 14.527 19.559 1.00 1.00 H new ATOM 0 HB3 ARG A 3 164.807 15.617 18.214 1.00 1.00 H new ATOM 0 HG2 ARG A 3 163.331 17.326 19.264 1.00 1.00 H new ATOM 0 HG3 ARG A 3 162.968 16.230 20.583 1.00 1.00 H new ATOM 0 HD2 ARG A 3 165.473 16.137 21.092 1.00 1.00 H new ATOM 0 HD3 ARG A 3 165.708 17.392 19.891 1.00 1.00 H new ATOM 0 HE ARG A 3 163.646 18.159 21.796 1.00 1.00 H new ATOM 0 HH11 ARG A 3 167.095 17.786 21.286 1.00 1.00 H new ATOM 0 HH12 ARG A 3 167.533 19.039 22.452 1.00 1.00 H new ATOM 0 HH21 ARG A 3 164.217 19.760 23.295 1.00 1.00 H new ATOM 0 HH22 ARG A 3 165.917 20.148 23.581 1.00 1.00 H new ATOM 59 N ARG A 4 162.779 16.090 16.232 1.00 1.00 N ATOM 60 CA ARG A 4 162.281 17.111 15.321 1.00 1.00 C ATOM 61 C ARG A 4 161.189 16.537 14.425 1.00 1.00 C ATOM 62 O ARG A 4 161.294 15.406 13.949 1.00 1.00 O ATOM 63 CB ARG A 4 163.422 17.655 14.461 1.00 1.00 C ATOM 64 CG ARG A 4 164.478 18.291 15.366 1.00 1.00 C ATOM 65 CD ARG A 4 165.561 18.941 14.510 1.00 1.00 C ATOM 66 NE ARG A 4 166.263 17.936 13.725 1.00 1.00 N ATOM 67 CZ ARG A 4 167.269 17.236 14.240 1.00 1.00 C ATOM 68 NH1 ARG A 4 167.613 17.404 15.489 1.00 1.00 N ATOM 69 NH2 ARG A 4 167.906 16.374 13.498 1.00 1.00 N ATOM 0 H ARG A 4 163.576 15.557 15.885 1.00 1.00 H new ATOM 0 HA ARG A 4 161.861 17.925 15.912 1.00 1.00 H new ATOM 0 HB2 ARG A 4 163.866 16.851 13.874 1.00 1.00 H new ATOM 0 HB3 ARG A 4 163.041 18.392 13.754 1.00 1.00 H new ATOM 0 HG2 ARG A 4 164.016 19.036 16.013 1.00 1.00 H new ATOM 0 HG3 ARG A 4 164.919 17.534 16.015 1.00 1.00 H new ATOM 0 HD2 ARG A 4 165.113 19.681 13.847 1.00 1.00 H new ATOM 0 HD3 ARG A 4 166.268 19.471 15.148 1.00 1.00 H new ATOM 0 HE ARG A 4 165.977 17.766 12.761 1.00 1.00 H new ATOM 0 HH11 ARG A 4 167.109 18.073 16.071 1.00 1.00 H new ATOM 0 HH12 ARG A 4 168.385 16.866 15.882 1.00 1.00 H new ATOM 0 HH21 ARG A 4 167.632 16.238 12.525 1.00 1.00 H new ATOM 0 HH22 ARG A 4 168.678 15.836 13.891 1.00 1.00 H new ATOM 83 N ALA A 5 160.141 17.323 14.199 1.00 1.00 N ATOM 84 CA ALA A 5 159.037 16.878 13.357 1.00 1.00 C ATOM 85 C ALA A 5 159.534 16.594 11.943 1.00 1.00 C ATOM 86 O ALA A 5 160.391 17.307 11.423 1.00 1.00 O ATOM 87 CB ALA A 5 157.950 17.956 13.309 1.00 1.00 C ATOM 0 H ALA A 5 160.033 18.262 14.583 1.00 1.00 H new ATOM 0 HA ALA A 5 158.622 15.963 13.780 1.00 1.00 H new ATOM 0 HB1 ALA A 5 157.129 17.617 12.678 1.00 1.00 H new ATOM 0 HB2 ALA A 5 157.580 18.144 14.317 1.00 1.00 H new ATOM 0 HB3 ALA A 5 158.367 18.875 12.898 1.00 1.00 H new ATOM 93 N SER A 6 158.996 15.547 11.326 1.00 1.00 N ATOM 94 CA SER A 6 159.404 15.186 9.973 1.00 1.00 C ATOM 95 C SER A 6 159.088 16.320 9.002 1.00 1.00 C ATOM 96 O SER A 6 159.873 16.616 8.102 1.00 1.00 O ATOM 97 CB SER A 6 158.673 13.920 9.533 1.00 1.00 C ATOM 98 OG SER A 6 157.274 14.168 9.517 1.00 1.00 O ATOM 0 H SER A 6 158.285 14.940 11.735 1.00 1.00 H new ATOM 0 HA SER A 6 160.479 15.006 9.970 1.00 1.00 H new ATOM 0 HB2 SER A 6 159.012 13.616 8.542 1.00 1.00 H new ATOM 0 HB3 SER A 6 158.901 13.099 10.213 1.00 1.00 H new ATOM 0 HG SER A 6 156.801 13.358 9.233 1.00 1.00 H new ATOM 104 N GLY A 7 157.933 16.949 9.195 1.00 1.00 N ATOM 105 CA GLY A 7 157.522 18.050 8.331 1.00 1.00 C ATOM 106 C GLY A 7 158.243 19.338 8.718 1.00 1.00 C ATOM 107 O GLY A 7 158.378 19.651 9.902 1.00 1.00 O ATOM 0 H GLY A 7 157.270 16.718 9.935 1.00 1.00 H new ATOM 0 HA2 GLY A 7 157.740 17.804 7.292 1.00 1.00 H new ATOM 0 HA3 GLY A 7 156.444 18.194 8.405 1.00 1.00 H new ATOM 111 N GLU A 8 158.705 20.080 7.718 1.00 1.00 N ATOM 112 CA GLU A 8 159.411 21.330 7.975 1.00 1.00 C ATOM 113 C GLU A 8 158.459 22.365 8.567 1.00 1.00 C ATOM 114 O GLU A 8 158.843 23.150 9.435 1.00 1.00 O ATOM 115 CB GLU A 8 160.023 21.862 6.679 1.00 1.00 C ATOM 116 CG GLU A 8 160.851 23.114 6.984 1.00 1.00 C ATOM 117 CD GLU A 8 161.604 23.563 5.738 1.00 1.00 C ATOM 118 OE1 GLU A 8 161.287 23.071 4.668 1.00 1.00 O ATOM 119 OE2 GLU A 8 162.491 24.390 5.872 1.00 1.00 O ATOM 0 H GLU A 8 158.605 19.841 6.731 1.00 1.00 H new ATOM 0 HA GLU A 8 160.209 21.139 8.692 1.00 1.00 H new ATOM 0 HB2 GLU A 8 160.652 21.099 6.221 1.00 1.00 H new ATOM 0 HB3 GLU A 8 159.236 22.098 5.963 1.00 1.00 H new ATOM 0 HG2 GLU A 8 160.198 23.915 7.332 1.00 1.00 H new ATOM 0 HG3 GLU A 8 161.556 22.905 7.789 1.00 1.00 H new ATOM 126 N ASN A 9 157.216 22.356 8.095 1.00 1.00 N ATOM 127 CA ASN A 9 156.207 23.290 8.585 1.00 1.00 C ATOM 128 C ASN A 9 155.254 22.583 9.546 1.00 1.00 C ATOM 129 O ASN A 9 154.924 21.413 9.354 1.00 1.00 O ATOM 130 CB ASN A 9 155.424 23.869 7.407 1.00 1.00 C ATOM 131 CG ASN A 9 156.355 24.720 6.551 1.00 1.00 C ATOM 132 OD1 ASN A 9 157.245 25.389 7.078 1.00 1.00 O ATOM 133 ND2 ASN A 9 156.206 24.731 5.256 1.00 1.00 N ATOM 0 H ASN A 9 156.884 21.714 7.375 1.00 1.00 H new ATOM 0 HA ASN A 9 156.705 24.100 9.119 1.00 1.00 H new ATOM 0 HB2 ASN A 9 154.996 23.064 6.809 1.00 1.00 H new ATOM 0 HB3 ASN A 9 154.592 24.473 7.770 1.00 1.00 H new ATOM 0 HD21 ASN A 9 156.827 25.295 4.676 1.00 1.00 H new ATOM 0 HD22 ASN A 9 155.468 24.176 4.823 1.00 1.00 H new ATOM 140 N LEU A 10 154.827 23.293 10.586 1.00 1.00 N ATOM 141 CA LEU A 10 153.925 22.712 11.576 1.00 1.00 C ATOM 142 C LEU A 10 152.501 22.628 11.039 1.00 1.00 C ATOM 143 O LEU A 10 152.021 23.546 10.371 1.00 1.00 O ATOM 144 CB LEU A 10 153.935 23.549 12.856 1.00 1.00 C ATOM 145 CG LEU A 10 155.179 23.211 13.683 1.00 1.00 C ATOM 146 CD1 LEU A 10 156.437 23.553 12.885 1.00 1.00 C ATOM 147 CD2 LEU A 10 155.169 24.025 14.976 1.00 1.00 C ATOM 0 H LEU A 10 155.088 24.263 10.765 1.00 1.00 H new ATOM 0 HA LEU A 10 154.276 21.704 11.795 1.00 1.00 H new ATOM 0 HB2 LEU A 10 153.928 24.610 12.608 1.00 1.00 H new ATOM 0 HB3 LEU A 10 153.035 23.352 13.438 1.00 1.00 H new ATOM 0 HG LEU A 10 155.174 22.147 13.918 1.00 1.00 H new ATOM 0 HD11 LEU A 10 157.320 23.311 13.477 1.00 1.00 H new ATOM 0 HD12 LEU A 10 156.450 22.975 11.961 1.00 1.00 H new ATOM 0 HD13 LEU A 10 156.439 24.617 12.648 1.00 1.00 H new ATOM 0 HD21 LEU A 10 156.054 23.784 15.564 1.00 1.00 H new ATOM 0 HD22 LEU A 10 155.171 25.088 14.737 1.00 1.00 H new ATOM 0 HD23 LEU A 10 154.275 23.784 15.551 1.00 1.00 H new ATOM 159 N GLN A 11 151.836 21.517 11.341 1.00 1.00 N ATOM 160 CA GLN A 11 150.465 21.299 10.894 1.00 1.00 C ATOM 161 C GLN A 11 149.510 21.308 12.083 1.00 1.00 C ATOM 162 O GLN A 11 149.700 20.565 13.047 1.00 1.00 O ATOM 163 CB GLN A 11 150.371 19.951 10.177 1.00 1.00 C ATOM 164 CG GLN A 11 151.211 19.997 8.898 1.00 1.00 C ATOM 165 CD GLN A 11 151.229 18.624 8.234 1.00 1.00 C ATOM 166 OE1 GLN A 11 150.571 17.697 8.706 1.00 1.00 O ATOM 167 NE2 GLN A 11 151.947 18.438 7.160 1.00 1.00 N ATOM 0 H GLN A 11 152.225 20.753 11.894 1.00 1.00 H new ATOM 0 HA GLN A 11 150.186 22.102 10.211 1.00 1.00 H new ATOM 0 HB2 GLN A 11 150.726 19.154 10.830 1.00 1.00 H new ATOM 0 HB3 GLN A 11 149.332 19.727 9.935 1.00 1.00 H new ATOM 0 HG2 GLN A 11 150.801 20.737 8.211 1.00 1.00 H new ATOM 0 HG3 GLN A 11 152.228 20.310 9.133 1.00 1.00 H new ATOM 0 HE21 GLN A 11 152.491 19.208 6.771 1.00 1.00 H new ATOM 0 HE22 GLN A 11 151.964 17.523 6.710 1.00 1.00 H new ATOM 176 N GLN A 12 148.481 22.147 12.005 1.00 1.00 N ATOM 177 CA GLN A 12 147.497 22.242 13.079 1.00 1.00 C ATOM 178 C GLN A 12 146.086 22.245 12.495 1.00 1.00 C ATOM 179 O GLN A 12 145.868 22.740 11.389 1.00 1.00 O ATOM 180 CB GLN A 12 147.733 23.522 13.893 1.00 1.00 C ATOM 181 CG GLN A 12 146.758 23.587 15.075 1.00 1.00 C ATOM 182 CD GLN A 12 147.024 22.441 16.045 1.00 1.00 C ATOM 183 OE1 GLN A 12 148.178 22.087 16.289 1.00 1.00 O ATOM 184 NE2 GLN A 12 146.019 21.838 16.619 1.00 1.00 N ATOM 0 H GLN A 12 148.307 22.767 11.214 1.00 1.00 H new ATOM 0 HA GLN A 12 147.605 21.380 13.737 1.00 1.00 H new ATOM 0 HB2 GLN A 12 148.760 23.545 14.258 1.00 1.00 H new ATOM 0 HB3 GLN A 12 147.601 24.396 13.255 1.00 1.00 H new ATOM 0 HG2 GLN A 12 146.865 24.541 15.591 1.00 1.00 H new ATOM 0 HG3 GLN A 12 145.732 23.534 14.712 1.00 1.00 H new ATOM 0 HE21 GLN A 12 145.064 22.133 16.416 1.00 1.00 H new ATOM 0 HE22 GLN A 12 146.189 21.072 17.271 1.00 1.00 H new ATOM 193 N THR A 13 145.138 21.685 13.244 1.00 1.00 N ATOM 194 CA THR A 13 143.748 21.619 12.788 1.00 1.00 C ATOM 195 C THR A 13 142.826 22.405 13.716 1.00 1.00 C ATOM 196 O THR A 13 142.957 22.344 14.938 1.00 1.00 O ATOM 197 CB THR A 13 143.290 20.159 12.730 1.00 1.00 C ATOM 198 OG1 THR A 13 143.319 19.604 14.039 1.00 1.00 O ATOM 199 CG2 THR A 13 144.225 19.365 11.814 1.00 1.00 C ATOM 0 H THR A 13 145.303 21.273 14.162 1.00 1.00 H new ATOM 0 HA THR A 13 143.696 22.063 11.794 1.00 1.00 H new ATOM 0 HB THR A 13 142.274 20.110 12.337 1.00 1.00 H new ATOM 0 HG1 THR A 13 143.025 18.670 14.005 1.00 1.00 H new ATOM 0 HG21 THR A 13 143.898 18.326 11.773 1.00 1.00 H new ATOM 0 HG22 THR A 13 144.202 19.792 10.812 1.00 1.00 H new ATOM 0 HG23 THR A 13 145.242 19.411 12.204 1.00 1.00 H new ATOM 207 N ARG A 14 141.891 23.140 13.119 1.00 1.00 N ATOM 208 CA ARG A 14 140.939 23.939 13.886 1.00 1.00 C ATOM 209 C ARG A 14 139.512 23.399 13.736 1.00 1.00 C ATOM 210 O ARG A 14 138.764 23.337 14.711 1.00 1.00 O ATOM 211 CB ARG A 14 140.985 25.398 13.420 1.00 1.00 C ATOM 212 CG ARG A 14 141.374 26.297 14.597 1.00 1.00 C ATOM 213 CD ARG A 14 141.464 27.749 14.123 1.00 1.00 C ATOM 214 NE ARG A 14 140.493 28.573 14.835 1.00 1.00 N ATOM 215 CZ ARG A 14 140.611 28.804 16.139 1.00 1.00 C ATOM 216 NH1 ARG A 14 141.611 28.297 16.806 1.00 1.00 N ATOM 217 NH2 ARG A 14 139.726 29.539 16.751 1.00 1.00 N ATOM 0 H ARG A 14 141.772 23.199 12.108 1.00 1.00 H new ATOM 0 HA ARG A 14 141.221 23.879 14.937 1.00 1.00 H new ATOM 0 HB2 ARG A 14 141.705 25.510 12.610 1.00 1.00 H new ATOM 0 HB3 ARG A 14 140.013 25.696 13.026 1.00 1.00 H new ATOM 0 HG2 ARG A 14 140.636 26.209 15.395 1.00 1.00 H new ATOM 0 HG3 ARG A 14 142.331 25.979 15.011 1.00 1.00 H new ATOM 0 HD2 ARG A 14 142.470 28.132 14.292 1.00 1.00 H new ATOM 0 HD3 ARG A 14 141.279 27.801 13.050 1.00 1.00 H new ATOM 0 HE ARG A 14 139.710 28.979 14.323 1.00 1.00 H new ATOM 0 HH11 ARG A 14 142.304 27.722 16.327 1.00 1.00 H new ATOM 0 HH12 ARG A 14 141.700 28.476 17.806 1.00 1.00 H new ATOM 0 HH21 ARG A 14 138.944 29.936 16.230 1.00 1.00 H new ATOM 0 HH22 ARG A 14 139.815 29.717 17.751 1.00 1.00 H new ATOM 231 N PRO A 15 139.124 23.018 12.544 1.00 1.00 N ATOM 232 CA PRO A 15 137.753 22.479 12.272 1.00 1.00 C ATOM 233 C PRO A 15 137.490 21.163 13.000 1.00 1.00 C ATOM 234 O PRO A 15 138.401 20.357 13.190 1.00 1.00 O ATOM 235 CB PRO A 15 137.722 22.263 10.752 1.00 1.00 C ATOM 236 CG PRO A 15 138.910 22.986 10.203 1.00 1.00 C ATOM 237 CD PRO A 15 139.941 23.054 11.324 1.00 1.00 C ATOM 0 HA PRO A 15 136.983 23.164 12.625 1.00 1.00 H new ATOM 0 HB2 PRO A 15 137.766 21.201 10.509 1.00 1.00 H new ATOM 0 HB3 PRO A 15 136.798 22.650 10.323 1.00 1.00 H new ATOM 0 HG2 PRO A 15 139.315 22.463 9.337 1.00 1.00 H new ATOM 0 HG3 PRO A 15 138.634 23.987 9.870 1.00 1.00 H new ATOM 0 HD2 PRO A 15 140.636 22.215 11.281 1.00 1.00 H new ATOM 0 HD3 PRO A 15 140.537 23.965 11.267 1.00 1.00 H new ATOM 245 N ILE A 16 136.238 20.941 13.398 1.00 1.00 N ATOM 246 CA ILE A 16 135.879 19.710 14.093 1.00 1.00 C ATOM 247 C ILE A 16 136.005 18.511 13.156 1.00 1.00 C ATOM 248 O ILE A 16 136.492 17.453 13.553 1.00 1.00 O ATOM 249 CB ILE A 16 134.447 19.797 14.627 1.00 1.00 C ATOM 250 CG1 ILE A 16 134.159 18.576 15.508 1.00 1.00 C ATOM 251 CG2 ILE A 16 133.461 19.825 13.459 1.00 1.00 C ATOM 252 CD1 ILE A 16 132.842 18.779 16.264 1.00 1.00 C ATOM 0 H ILE A 16 135.465 21.590 13.253 1.00 1.00 H new ATOM 0 HA ILE A 16 136.564 19.579 14.930 1.00 1.00 H new ATOM 0 HB ILE A 16 134.335 20.708 15.214 1.00 1.00 H new ATOM 0 HG12 ILE A 16 134.101 17.678 14.893 1.00 1.00 H new ATOM 0 HG13 ILE A 16 134.975 18.426 16.215 1.00 1.00 H new ATOM 0 HG21 ILE A 16 132.443 19.887 13.844 1.00 1.00 H new ATOM 0 HG22 ILE A 16 133.665 20.692 12.831 1.00 1.00 H new ATOM 0 HG23 ILE A 16 133.571 18.916 12.868 1.00 1.00 H new ATOM 0 HD11 ILE A 16 132.643 17.908 16.888 1.00 1.00 H new ATOM 0 HD12 ILE A 16 132.916 19.667 16.892 1.00 1.00 H new ATOM 0 HD13 ILE A 16 132.029 18.907 15.550 1.00 1.00 H new ATOM 264 N ALA A 17 135.564 18.681 11.911 1.00 1.00 N ATOM 265 CA ALA A 17 135.639 17.597 10.936 1.00 1.00 C ATOM 266 C ALA A 17 135.609 18.142 9.507 1.00 1.00 C ATOM 267 O ALA A 17 136.611 18.090 8.793 1.00 1.00 O ATOM 268 CB ALA A 17 134.473 16.624 11.142 1.00 1.00 C ATOM 0 H ALA A 17 135.157 19.547 11.558 1.00 1.00 H new ATOM 0 HA ALA A 17 136.582 17.071 11.086 1.00 1.00 H new ATOM 0 HB1 ALA A 17 134.537 15.819 10.410 1.00 1.00 H new ATOM 0 HB2 ALA A 17 134.522 16.205 12.147 1.00 1.00 H new ATOM 0 HB3 ALA A 17 133.529 17.155 11.015 1.00 1.00 H new ATOM 274 N ALA A 18 134.456 18.661 9.098 1.00 1.00 N ATOM 275 CA ALA A 18 134.307 19.210 7.753 1.00 1.00 C ATOM 276 C ALA A 18 134.980 18.308 6.721 1.00 1.00 C ATOM 277 O ALA A 18 135.347 17.171 7.019 1.00 1.00 O ATOM 278 CB ALA A 18 134.924 20.606 7.692 1.00 1.00 C ATOM 0 H ALA A 18 133.616 18.713 9.674 1.00 1.00 H new ATOM 0 HA ALA A 18 133.243 19.269 7.522 1.00 1.00 H new ATOM 0 HB1 ALA A 18 134.810 21.011 6.686 1.00 1.00 H new ATOM 0 HB2 ALA A 18 134.420 21.258 8.405 1.00 1.00 H new ATOM 0 HB3 ALA A 18 135.983 20.547 7.941 1.00 1.00 H new ATOM 284 N ALA A 19 135.138 18.825 5.505 1.00 1.00 N ATOM 285 CA ALA A 19 135.768 18.060 4.434 1.00 1.00 C ATOM 286 C ALA A 19 134.944 16.827 4.087 1.00 1.00 C ATOM 287 O ALA A 19 134.488 16.101 4.971 1.00 1.00 O ATOM 288 CB ALA A 19 137.171 17.627 4.856 1.00 1.00 C ATOM 0 H ALA A 19 134.841 19.764 5.238 1.00 1.00 H new ATOM 0 HA ALA A 19 135.829 18.700 3.554 1.00 1.00 H new ATOM 0 HB1 ALA A 19 137.633 17.057 4.050 1.00 1.00 H new ATOM 0 HB2 ALA A 19 137.775 18.509 5.069 1.00 1.00 H new ATOM 0 HB3 ALA A 19 137.107 17.006 5.750 1.00 1.00 H new ATOM 294 N ASN A 20 134.764 16.594 2.792 1.00 1.00 N ATOM 295 CA ASN A 20 134.004 15.442 2.327 1.00 1.00 C ATOM 296 C ASN A 20 132.546 15.535 2.764 1.00 1.00 C ATOM 297 O ASN A 20 132.230 16.107 3.806 1.00 1.00 O ATOM 298 CB ASN A 20 134.618 14.163 2.882 1.00 1.00 C ATOM 299 CG ASN A 20 134.300 12.986 1.968 1.00 1.00 C ATOM 300 OD1 ASN A 20 134.333 13.120 0.745 1.00 1.00 O ATOM 301 ND2 ASN A 20 133.990 11.831 2.491 1.00 1.00 N ATOM 0 H ASN A 20 135.133 17.186 2.048 1.00 1.00 H new ATOM 0 HA ASN A 20 134.039 15.428 1.238 1.00 1.00 H new ATOM 0 HB2 ASN A 20 135.698 14.280 2.974 1.00 1.00 H new ATOM 0 HB3 ASN A 20 134.232 13.970 3.883 1.00 1.00 H new ATOM 0 HD21 ASN A 20 133.775 11.038 1.886 1.00 1.00 H new ATOM 0 HD22 ASN A 20 133.963 11.721 3.505 1.00 1.00 H new ATOM 308 N LEU A 21 131.666 14.981 1.939 1.00 1.00 N ATOM 309 CA LEU A 21 130.234 15.009 2.210 1.00 1.00 C ATOM 310 C LEU A 21 129.861 14.038 3.323 1.00 1.00 C ATOM 311 O LEU A 21 130.363 12.916 3.396 1.00 1.00 O ATOM 312 CB LEU A 21 129.466 14.644 0.942 1.00 1.00 C ATOM 313 CG LEU A 21 128.050 15.223 1.011 1.00 1.00 C ATOM 314 CD1 LEU A 21 128.084 16.740 0.788 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.189 14.592 -0.077 1.00 1.00 C ATOM 0 H LEU A 21 131.920 14.505 1.073 1.00 1.00 H new ATOM 0 HA LEU A 21 129.970 16.017 2.532 1.00 1.00 H new ATOM 0 HB2 LEU A 21 129.986 15.032 0.066 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.421 13.561 0.832 1.00 1.00 H new ATOM 0 HG LEU A 21 127.634 15.008 1.995 1.00 1.00 H new ATOM 0 HD11 LEU A 21 127.071 17.138 0.840 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.697 17.207 1.558 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.508 16.954 -0.193 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.181 15.004 -0.028 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.622 14.807 -1.054 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.148 13.513 0.072 1.00 1.00 H new ATOM 327 N GLN A 22 128.956 14.500 4.179 1.00 1.00 N ATOM 328 CA GLN A 22 128.478 13.700 5.297 1.00 1.00 C ATOM 329 C GLN A 22 127.138 13.067 4.937 1.00 1.00 C ATOM 330 O GLN A 22 126.107 13.737 4.954 1.00 1.00 O ATOM 331 CB GLN A 22 128.296 14.602 6.517 1.00 1.00 C ATOM 332 CG GLN A 22 129.630 15.263 6.851 1.00 1.00 C ATOM 333 CD GLN A 22 129.464 16.196 8.046 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.392 16.251 8.647 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.466 16.939 8.427 1.00 1.00 N ATOM 0 H GLN A 22 128.538 15.429 4.118 1.00 1.00 H new ATOM 0 HA GLN A 22 129.202 12.916 5.520 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.540 15.361 6.314 1.00 1.00 H new ATOM 0 HB3 GLN A 22 127.942 14.019 7.367 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.377 14.501 7.075 1.00 1.00 H new ATOM 0 HG3 GLN A 22 129.994 15.823 5.989 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.354 16.892 7.928 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.361 17.567 9.224 1.00 1.00 H new ATOM 344 N TRP A 23 127.150 11.775 4.624 1.00 1.00 N ATOM 345 CA TRP A 23 125.908 11.089 4.282 1.00 1.00 C ATOM 346 C TRP A 23 125.131 10.773 5.550 1.00 1.00 C ATOM 347 O TRP A 23 125.690 10.330 6.554 1.00 1.00 O ATOM 348 CB TRP A 23 126.211 9.791 3.535 1.00 1.00 C ATOM 349 CG TRP A 23 126.869 10.086 2.223 1.00 1.00 C ATOM 350 CD1 TRP A 23 127.217 11.319 1.763 1.00 1.00 C ATOM 351 CD2 TRP A 23 127.258 9.144 1.184 1.00 1.00 C ATOM 352 NE1 TRP A 23 127.796 11.179 0.517 1.00 1.00 N ATOM 353 CE2 TRP A 23 127.841 9.864 0.118 1.00 1.00 C ATOM 354 CE3 TRP A 23 127.162 7.745 1.066 1.00 1.00 C ATOM 355 CZ2 TRP A 23 128.313 9.226 -1.023 1.00 1.00 C ATOM 356 CZ3 TRP A 23 127.637 7.097 -0.085 1.00 1.00 C ATOM 357 CH2 TRP A 23 128.212 7.837 -1.128 1.00 1.00 C ATOM 0 H TRP A 23 127.987 11.192 4.600 1.00 1.00 H new ATOM 0 HA TRP A 23 125.312 11.739 3.641 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.860 9.158 4.141 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.288 9.235 3.370 1.00 1.00 H new ATOM 0 HD1 TRP A 23 127.065 12.252 2.286 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.148 11.957 -0.040 1.00 1.00 H new ATOM 0 HE3 TRP A 23 126.721 7.167 1.865 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 128.755 9.801 -1.823 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 127.559 6.023 -0.168 1.00 1.00 H new ATOM 0 HH2 TRP A 23 128.576 7.334 -2.011 1.00 1.00 H new ATOM 368 N GLU A 24 123.825 10.991 5.468 1.00 1.00 N ATOM 369 CA GLU A 24 122.925 10.719 6.576 1.00 1.00 C ATOM 370 C GLU A 24 121.827 9.769 6.109 1.00 1.00 C ATOM 371 O GLU A 24 121.594 9.625 4.908 1.00 1.00 O ATOM 372 CB GLU A 24 122.318 12.026 7.094 1.00 1.00 C ATOM 373 CG GLU A 24 123.416 12.860 7.760 1.00 1.00 C ATOM 374 CD GLU A 24 122.863 14.217 8.186 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.682 14.444 7.983 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.631 15.009 8.707 1.00 1.00 O ATOM 0 H GLU A 24 123.364 11.359 4.636 1.00 1.00 H new ATOM 0 HA GLU A 24 123.479 10.253 7.391 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.869 12.584 6.272 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.522 11.814 7.808 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.809 12.331 8.628 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.247 12.999 7.069 1.00 1.00 H new ATOM 383 N SER A 25 121.154 9.122 7.053 1.00 1.00 N ATOM 384 CA SER A 25 120.096 8.200 6.693 1.00 1.00 C ATOM 385 C SER A 25 118.842 8.975 6.335 1.00 1.00 C ATOM 386 O SER A 25 118.666 10.120 6.749 1.00 1.00 O ATOM 387 CB SER A 25 119.820 7.219 7.831 1.00 1.00 C ATOM 388 OG SER A 25 120.833 6.219 7.842 1.00 1.00 O ATOM 0 H SER A 25 121.321 9.219 8.055 1.00 1.00 H new ATOM 0 HA SER A 25 120.413 7.621 5.825 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.802 7.746 8.785 1.00 1.00 H new ATOM 0 HB3 SER A 25 118.840 6.760 7.702 1.00 1.00 H new ATOM 0 HG SER A 25 120.662 5.588 8.572 1.00 1.00 H new ATOM 394 N TYR A 26 117.976 8.351 5.564 1.00 1.00 N ATOM 395 CA TYR A 26 116.747 8.991 5.151 1.00 1.00 C ATOM 396 C TYR A 26 115.951 9.405 6.374 1.00 1.00 C ATOM 397 O TYR A 26 115.401 10.505 6.440 1.00 1.00 O ATOM 398 CB TYR A 26 115.932 8.014 4.306 1.00 1.00 C ATOM 399 CG TYR A 26 114.566 8.579 4.020 1.00 1.00 C ATOM 400 CD1 TYR A 26 114.355 9.366 2.882 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.503 8.291 4.881 1.00 1.00 C ATOM 402 CE1 TYR A 26 113.077 9.871 2.608 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.224 8.791 4.607 1.00 1.00 C ATOM 404 CZ TYR A 26 112.011 9.582 3.469 1.00 1.00 C ATOM 405 OH TYR A 26 110.751 10.077 3.199 1.00 1.00 O ATOM 0 H TYR A 26 118.101 7.402 5.211 1.00 1.00 H new ATOM 0 HA TYR A 26 116.975 9.878 4.560 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.452 7.812 3.370 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.837 7.063 4.829 1.00 1.00 H new ATOM 0 HD1 TYR A 26 115.177 9.584 2.216 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.668 7.683 5.758 1.00 1.00 H new ATOM 0 HE1 TYR A 26 112.914 10.483 1.733 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.402 8.568 5.272 1.00 1.00 H new ATOM 0 HH TYR A 26 110.777 10.605 2.374 1.00 1.00 H new ATOM 415 N ALA A 27 115.912 8.502 7.344 1.00 1.00 N ATOM 416 CA ALA A 27 115.191 8.762 8.573 1.00 1.00 C ATOM 417 C ALA A 27 115.889 9.841 9.367 1.00 1.00 C ATOM 418 O ALA A 27 115.249 10.676 10.009 1.00 1.00 O ATOM 419 CB ALA A 27 115.081 7.488 9.408 1.00 1.00 C ATOM 0 H ALA A 27 116.369 7.591 7.301 1.00 1.00 H new ATOM 0 HA ALA A 27 114.186 9.101 8.320 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.536 7.702 10.328 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.548 6.725 8.840 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.080 7.126 9.653 1.00 1.00 H new ATOM 425 N GLU A 28 117.202 9.816 9.329 1.00 1.00 N ATOM 426 CA GLU A 28 117.991 10.786 10.053 1.00 1.00 C ATOM 427 C GLU A 28 117.853 12.169 9.441 1.00 1.00 C ATOM 428 O GLU A 28 117.786 13.169 10.156 1.00 1.00 O ATOM 429 CB GLU A 28 119.445 10.345 10.035 1.00 1.00 C ATOM 430 CG GLU A 28 119.608 9.134 10.954 1.00 1.00 C ATOM 431 CD GLU A 28 119.511 9.568 12.410 1.00 1.00 C ATOM 432 OE1 GLU A 28 119.705 10.743 12.671 1.00 1.00 O ATOM 433 OE2 GLU A 28 119.223 8.725 13.242 1.00 1.00 O ATOM 0 H GLU A 28 117.747 9.133 8.803 1.00 1.00 H new ATOM 0 HA GLU A 28 117.632 10.843 11.081 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.749 10.091 9.020 1.00 1.00 H new ATOM 0 HB3 GLU A 28 120.090 11.159 10.367 1.00 1.00 H new ATOM 0 HG2 GLU A 28 118.838 8.394 10.734 1.00 1.00 H new ATOM 0 HG3 GLU A 28 120.570 8.656 10.772 1.00 1.00 H new ATOM 440 N ALA A 29 117.814 12.224 8.118 1.00 1.00 N ATOM 441 CA ALA A 29 117.689 13.487 7.413 1.00 1.00 C ATOM 442 C ALA A 29 116.427 14.226 7.792 1.00 1.00 C ATOM 443 O ALA A 29 116.447 15.433 8.034 1.00 1.00 O ATOM 444 CB ALA A 29 117.609 13.216 5.924 1.00 1.00 C ATOM 0 H ALA A 29 117.867 11.406 7.512 1.00 1.00 H new ATOM 0 HA ALA A 29 118.556 14.092 7.679 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.515 14.160 5.387 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.513 12.702 5.599 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.741 12.591 5.714 1.00 1.00 H new ATOM 450 N LEU A 30 115.326 13.506 7.807 1.00 1.00 N ATOM 451 CA LEU A 30 114.061 14.119 8.116 1.00 1.00 C ATOM 452 C LEU A 30 114.055 14.608 9.543 1.00 1.00 C ATOM 453 O LEU A 30 113.567 15.688 9.833 1.00 1.00 O ATOM 454 CB LEU A 30 112.928 13.132 7.885 1.00 1.00 C ATOM 455 CG LEU A 30 112.838 12.819 6.395 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.257 11.424 6.217 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.914 13.829 5.705 1.00 1.00 C ATOM 0 H LEU A 30 115.285 12.506 7.610 1.00 1.00 H new ATOM 0 HA LEU A 30 113.913 14.974 7.456 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.104 12.218 8.452 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.986 13.551 8.239 1.00 1.00 H new ATOM 0 HG LEU A 30 113.833 12.876 5.954 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.189 11.191 5.154 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.903 10.696 6.707 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.263 11.385 6.662 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.854 13.600 4.641 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.919 13.771 6.145 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.311 14.835 5.837 1.00 1.00 H new ATOM 469 N GLU A 31 114.619 13.810 10.435 1.00 1.00 N ATOM 470 CA GLU A 31 114.671 14.165 11.821 1.00 1.00 C ATOM 471 C GLU A 31 115.369 15.478 11.994 1.00 1.00 C ATOM 472 O GLU A 31 114.919 16.349 12.727 1.00 1.00 O ATOM 473 CB GLU A 31 115.428 13.094 12.599 1.00 1.00 C ATOM 474 CG GLU A 31 114.432 12.276 13.392 1.00 1.00 C ATOM 475 CD GLU A 31 115.124 11.079 14.036 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.308 10.907 13.796 1.00 1.00 O ATOM 477 OE2 GLU A 31 114.459 10.350 14.755 1.00 1.00 O ATOM 0 H GLU A 31 115.046 12.911 10.211 1.00 1.00 H new ATOM 0 HA GLU A 31 113.651 14.246 12.198 1.00 1.00 H new ATOM 0 HB2 GLU A 31 115.985 12.453 11.916 1.00 1.00 H new ATOM 0 HB3 GLU A 31 116.155 13.555 13.267 1.00 1.00 H new ATOM 0 HG2 GLU A 31 113.972 12.896 14.161 1.00 1.00 H new ATOM 0 HG3 GLU A 31 113.630 11.933 12.738 1.00 1.00 H new ATOM 484 N HIS A 32 116.480 15.603 11.310 1.00 1.00 N ATOM 485 CA HIS A 32 117.234 16.817 11.408 1.00 1.00 C ATOM 486 C HIS A 32 116.464 17.980 10.777 1.00 1.00 C ATOM 487 O HIS A 32 116.443 19.085 11.317 1.00 1.00 O ATOM 488 CB HIS A 32 118.592 16.647 10.724 1.00 1.00 C ATOM 489 CG HIS A 32 119.595 16.147 11.724 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.687 14.809 12.072 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.557 16.792 12.461 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.672 14.691 12.980 1.00 1.00 C ATOM 493 NE2 HIS A 32 121.237 15.870 13.253 1.00 1.00 N ATOM 0 H HIS A 32 116.872 14.892 10.693 1.00 1.00 H new ATOM 0 HA HIS A 32 117.395 17.043 12.462 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.508 15.945 9.894 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.922 17.598 10.305 1.00 1.00 H new ATOM 0 HD1 HIS A 32 119.112 14.051 11.706 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.756 17.853 12.431 1.00 1.00 H new ATOM 0 HE1 HIS A 32 120.970 13.757 13.433 1.00 1.00 H new ATOM 501 N SER A 33 115.852 17.730 9.617 1.00 1.00 N ATOM 502 CA SER A 33 115.105 18.758 8.900 1.00 1.00 C ATOM 503 C SER A 33 113.880 19.218 9.663 1.00 1.00 C ATOM 504 O SER A 33 113.515 20.392 9.610 1.00 1.00 O ATOM 505 CB SER A 33 114.696 18.227 7.535 1.00 1.00 C ATOM 506 OG SER A 33 115.876 17.889 6.838 1.00 1.00 O ATOM 0 H SER A 33 115.861 16.820 9.156 1.00 1.00 H new ATOM 0 HA SER A 33 115.758 19.624 8.787 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.051 17.355 7.641 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.129 18.979 6.986 1.00 1.00 H new ATOM 0 HG SER A 33 116.100 18.605 6.208 1.00 1.00 H new ATOM 512 N LYS A 34 113.252 18.302 10.388 1.00 1.00 N ATOM 513 CA LYS A 34 112.088 18.660 11.165 1.00 1.00 C ATOM 514 C LYS A 34 112.487 19.754 12.128 1.00 1.00 C ATOM 515 O LYS A 34 111.671 20.579 12.536 1.00 1.00 O ATOM 516 CB LYS A 34 111.579 17.450 11.949 1.00 1.00 C ATOM 517 CG LYS A 34 110.906 16.464 10.986 1.00 1.00 C ATOM 518 CD LYS A 34 110.714 15.100 11.665 1.00 1.00 C ATOM 519 CE LYS A 34 110.780 13.990 10.610 1.00 1.00 C ATOM 520 NZ LYS A 34 109.993 12.810 11.069 1.00 1.00 N ATOM 0 H LYS A 34 113.528 17.322 10.450 1.00 1.00 H new ATOM 0 HA LYS A 34 111.292 19.001 10.503 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.406 16.963 12.465 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.870 17.770 12.713 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.941 16.858 10.668 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.515 16.349 10.089 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.485 14.946 12.419 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.754 15.070 12.180 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.387 14.354 9.661 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.817 13.702 10.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 110.041 12.060 10.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.387 12.457 11.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 109.001 13.089 11.213 1.00 1.00 H new ATOM 534 N GLN A 35 113.754 19.709 12.528 1.00 1.00 N ATOM 535 CA GLN A 35 114.265 20.670 13.503 1.00 1.00 C ATOM 536 C GLN A 35 115.034 21.804 12.859 1.00 1.00 C ATOM 537 O GLN A 35 114.941 22.952 13.294 1.00 1.00 O ATOM 538 CB GLN A 35 115.210 19.967 14.472 1.00 1.00 C ATOM 539 CG GLN A 35 114.552 18.697 14.976 1.00 1.00 C ATOM 540 CD GLN A 35 115.482 17.977 15.944 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.533 17.478 15.541 1.00 1.00 O ATOM 542 NE2 GLN A 35 115.156 17.888 17.204 1.00 1.00 N ATOM 0 H GLN A 35 114.438 19.028 12.199 1.00 1.00 H new ATOM 0 HA GLN A 35 113.395 21.083 14.014 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.151 19.731 13.975 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.448 20.624 15.308 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.612 18.937 15.473 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.311 18.045 14.137 1.00 1.00 H new ATOM 0 HE21 GLN A 35 114.285 18.302 17.536 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.772 17.404 17.857 1.00 1.00 H new ATOM 551 N ASP A 36 115.831 21.480 11.856 1.00 1.00 N ATOM 552 CA ASP A 36 116.662 22.484 11.198 1.00 1.00 C ATOM 553 C ASP A 36 116.024 23.065 9.937 1.00 1.00 C ATOM 554 O ASP A 36 116.421 24.138 9.485 1.00 1.00 O ATOM 555 CB ASP A 36 118.008 21.859 10.832 1.00 1.00 C ATOM 556 CG ASP A 36 118.790 21.533 12.101 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.430 22.053 13.145 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.736 20.768 12.009 1.00 1.00 O ATOM 0 H ASP A 36 115.923 20.537 11.478 1.00 1.00 H new ATOM 0 HA ASP A 36 116.784 23.306 11.903 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.851 20.952 10.248 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.580 22.545 10.208 1.00 1.00 H new ATOM 563 N HIS A 37 115.031 22.367 9.384 1.00 1.00 N ATOM 564 CA HIS A 37 114.320 22.822 8.187 1.00 1.00 C ATOM 565 C HIS A 37 115.191 22.796 6.930 1.00 1.00 C ATOM 566 O HIS A 37 114.835 23.396 5.917 1.00 1.00 O ATOM 567 CB HIS A 37 113.767 24.238 8.396 1.00 1.00 C ATOM 568 CG HIS A 37 113.011 24.294 9.694 1.00 1.00 C ATOM 569 ND1 HIS A 37 111.696 23.869 9.807 1.00 1.00 N ATOM 570 CD2 HIS A 37 113.375 24.720 10.947 1.00 1.00 C ATOM 571 CE1 HIS A 37 111.320 24.049 11.087 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.306 24.565 11.825 1.00 1.00 N ATOM 0 H HIS A 37 114.698 21.475 9.750 1.00 1.00 H new ATOM 0 HA HIS A 37 113.501 22.120 8.032 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.583 24.961 8.407 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.111 24.510 7.569 1.00 1.00 H new ATOM 0 HD2 HIS A 37 114.344 25.116 11.212 1.00 1.00 H new ATOM 0 HE1 HIS A 37 110.340 23.806 11.470 1.00 1.00 H new ATOM 0 HE2 HIS A 37 112.281 24.796 12.818 1.00 1.00 H new ATOM 580 N LYS A 38 116.342 22.126 7.003 1.00 1.00 N ATOM 581 CA LYS A 38 117.253 22.075 5.859 1.00 1.00 C ATOM 582 C LYS A 38 116.747 21.106 4.768 1.00 1.00 C ATOM 583 O LYS A 38 116.328 19.993 5.088 1.00 1.00 O ATOM 584 CB LYS A 38 118.640 21.627 6.331 1.00 1.00 C ATOM 585 CG LYS A 38 119.493 22.867 6.634 1.00 1.00 C ATOM 586 CD LYS A 38 120.735 22.484 7.461 1.00 1.00 C ATOM 587 CE LYS A 38 121.801 21.851 6.558 1.00 1.00 C ATOM 588 NZ LYS A 38 122.314 20.605 7.198 1.00 1.00 N ATOM 0 H LYS A 38 116.662 21.619 7.828 1.00 1.00 H new ATOM 0 HA LYS A 38 117.304 23.074 5.426 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.551 21.005 7.222 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.120 21.019 5.564 1.00 1.00 H new ATOM 0 HG2 LYS A 38 119.802 23.339 5.701 1.00 1.00 H new ATOM 0 HG3 LYS A 38 118.898 23.599 7.180 1.00 1.00 H new ATOM 0 HD2 LYS A 38 121.142 23.369 7.950 1.00 1.00 H new ATOM 0 HD3 LYS A 38 120.454 21.785 8.249 1.00 1.00 H new ATOM 0 HE2 LYS A 38 121.377 21.623 5.580 1.00 1.00 H new ATOM 0 HE3 LYS A 38 122.619 22.553 6.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 123.350 20.653 7.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 121.905 20.510 8.150 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 122.044 19.782 6.622 1.00 1.00 H new ATOM 602 N PRO A 39 116.783 21.478 3.493 1.00 1.00 N ATOM 603 CA PRO A 39 116.320 20.573 2.397 1.00 1.00 C ATOM 604 C PRO A 39 117.104 19.263 2.353 1.00 1.00 C ATOM 605 O PRO A 39 118.282 19.220 2.716 1.00 1.00 O ATOM 606 CB PRO A 39 116.564 21.344 1.098 1.00 1.00 C ATOM 607 CG PRO A 39 116.932 22.741 1.469 1.00 1.00 C ATOM 608 CD PRO A 39 117.242 22.777 2.966 1.00 1.00 C ATOM 0 HA PRO A 39 115.275 20.305 2.551 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.362 20.878 0.520 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.671 21.336 0.473 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.798 23.070 0.894 1.00 1.00 H new ATOM 0 HG3 PRO A 39 116.115 23.423 1.234 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.308 22.918 3.143 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.726 23.604 3.454 1.00 1.00 H new ATOM 616 N ILE A 40 116.437 18.200 1.909 1.00 1.00 N ATOM 617 CA ILE A 40 117.071 16.886 1.823 1.00 1.00 C ATOM 618 C ILE A 40 117.287 16.499 0.359 1.00 1.00 C ATOM 619 O ILE A 40 116.347 16.535 -0.433 1.00 1.00 O ATOM 620 CB ILE A 40 116.183 15.823 2.472 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.416 16.429 3.655 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.070 14.689 2.967 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.567 15.349 4.340 1.00 1.00 C ATOM 0 H ILE A 40 115.464 18.222 1.605 1.00 1.00 H new ATOM 0 HA ILE A 40 118.028 16.940 2.342 1.00 1.00 H new ATOM 0 HB ILE A 40 115.464 15.449 1.744 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.116 16.860 4.370 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.776 17.240 3.307 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.453 13.921 3.433 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.612 14.257 2.126 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.781 15.075 3.697 1.00 1.00 H new ATOM 0 HD11 ILE A 40 114.026 15.788 5.178 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.855 14.938 3.624 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.216 14.553 4.704 1.00 1.00 H new ATOM 635 N GLY A 41 118.506 16.090 0.013 1.00 1.00 N ATOM 636 CA GLY A 41 118.805 15.662 -1.347 1.00 1.00 C ATOM 637 C GLY A 41 118.979 14.146 -1.382 1.00 1.00 C ATOM 638 O GLY A 41 119.917 13.610 -0.791 1.00 1.00 O ATOM 0 H GLY A 41 119.298 16.047 0.654 1.00 1.00 H new ATOM 0 HA2 GLY A 41 118.000 15.961 -2.018 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.713 16.150 -1.701 1.00 1.00 H new ATOM 642 N LEU A 42 118.092 13.461 -2.105 1.00 1.00 N ATOM 643 CA LEU A 42 118.188 12.017 -2.233 1.00 1.00 C ATOM 644 C LEU A 42 118.899 11.698 -3.535 1.00 1.00 C ATOM 645 O LEU A 42 118.451 12.093 -4.613 1.00 1.00 O ATOM 646 CB LEU A 42 116.808 11.349 -2.293 1.00 1.00 C ATOM 647 CG LEU A 42 115.923 11.699 -1.092 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.697 13.203 -0.984 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.566 11.032 -1.296 1.00 1.00 C ATOM 0 H LEU A 42 117.309 13.883 -2.604 1.00 1.00 H new ATOM 0 HA LEU A 42 118.724 11.642 -1.361 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.303 11.652 -3.210 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.935 10.268 -2.341 1.00 1.00 H new ATOM 0 HG LEU A 42 116.417 11.355 -0.183 1.00 1.00 H new ATOM 0 HD11 LEU A 42 115.065 13.415 -0.121 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.656 13.707 -0.864 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.208 13.563 -1.889 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.915 11.266 -0.453 1.00 1.00 H new ATOM 0 HD22 LEU A 42 114.114 11.401 -2.217 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.698 9.952 -1.364 1.00 1.00 H new ATOM 661 N PHE A 43 120.011 10.997 -3.434 1.00 1.00 N ATOM 662 CA PHE A 43 120.779 10.653 -4.620 1.00 1.00 C ATOM 663 C PHE A 43 120.373 9.265 -5.134 1.00 1.00 C ATOM 664 O PHE A 43 120.730 8.251 -4.533 1.00 1.00 O ATOM 665 CB PHE A 43 122.264 10.685 -4.260 1.00 1.00 C ATOM 666 CG PHE A 43 123.098 10.699 -5.511 1.00 1.00 C ATOM 667 CD1 PHE A 43 123.046 11.806 -6.364 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.927 9.615 -5.814 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.822 11.828 -7.522 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.705 9.640 -6.972 1.00 1.00 C ATOM 671 CZ PHE A 43 124.650 10.749 -7.828 1.00 1.00 C ATOM 0 H PHE A 43 120.402 10.657 -2.555 1.00 1.00 H new ATOM 0 HA PHE A 43 120.580 11.371 -5.415 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.482 11.568 -3.659 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.518 9.816 -3.654 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.406 12.643 -6.126 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.965 8.761 -5.154 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.782 12.682 -8.182 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.349 8.806 -7.209 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.250 10.767 -8.726 1.00 1.00 H new ATOM 681 N PHE A 44 119.650 9.219 -6.262 1.00 1.00 N ATOM 682 CA PHE A 44 119.216 7.956 -6.884 1.00 1.00 C ATOM 683 C PHE A 44 120.199 7.566 -7.984 1.00 1.00 C ATOM 684 O PHE A 44 120.386 8.331 -8.930 1.00 1.00 O ATOM 685 CB PHE A 44 117.833 8.138 -7.514 1.00 1.00 C ATOM 686 CG PHE A 44 116.764 8.155 -6.449 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.183 6.954 -6.029 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.344 9.369 -5.892 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.180 6.964 -5.055 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.340 9.376 -4.919 1.00 1.00 C ATOM 691 CZ PHE A 44 114.758 8.176 -4.501 1.00 1.00 C ATOM 0 H PHE A 44 119.350 10.052 -6.769 1.00 1.00 H new ATOM 0 HA PHE A 44 119.178 7.180 -6.119 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.805 9.069 -8.080 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.639 7.330 -8.219 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.509 6.018 -6.458 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.794 10.297 -6.213 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.732 6.036 -4.731 1.00 1.00 H new ATOM 0 HE2 PHE A 44 115.013 10.311 -4.489 1.00 1.00 H new ATOM 0 HZ PHE A 44 113.982 8.185 -3.750 1.00 1.00 H new ATOM 701 N THR A 45 120.814 6.376 -7.878 1.00 1.00 N ATOM 702 CA THR A 45 121.765 5.954 -8.918 1.00 1.00 C ATOM 703 C THR A 45 121.962 4.437 -9.039 1.00 1.00 C ATOM 704 O THR A 45 121.337 3.647 -8.333 1.00 1.00 O ATOM 705 CB THR A 45 123.129 6.621 -8.682 1.00 1.00 C ATOM 706 OG1 THR A 45 123.523 6.434 -7.330 1.00 1.00 O ATOM 707 CG2 THR A 45 123.033 8.113 -8.981 1.00 1.00 C ATOM 0 H THR A 45 120.678 5.713 -7.115 1.00 1.00 H new ATOM 0 HA THR A 45 121.320 6.276 -9.859 1.00 1.00 H new ATOM 0 HB THR A 45 123.868 6.168 -9.343 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.826 7.288 -6.957 1.00 1.00 H new ATOM 0 HG21 THR A 45 124.003 8.581 -8.812 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.736 8.258 -10.020 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.291 8.569 -8.325 1.00 1.00 H new ATOM 715 N GLY A 46 122.913 4.073 -9.905 1.00 1.00 N ATOM 716 CA GLY A 46 123.332 2.689 -10.130 1.00 1.00 C ATOM 717 C GLY A 46 124.855 2.676 -10.058 1.00 1.00 C ATOM 718 O GLY A 46 125.550 2.870 -11.053 1.00 1.00 O ATOM 0 H GLY A 46 123.422 4.746 -10.479 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.903 2.027 -9.377 1.00 1.00 H new ATOM 0 HA3 GLY A 46 122.987 2.333 -11.101 1.00 1.00 H new ATOM 722 N SER A 47 125.356 2.507 -8.850 1.00 1.00 N ATOM 723 CA SER A 47 126.787 2.551 -8.589 1.00 1.00 C ATOM 724 C SER A 47 127.640 1.650 -9.478 1.00 1.00 C ATOM 725 O SER A 47 128.775 2.009 -9.792 1.00 1.00 O ATOM 726 CB SER A 47 127.042 2.182 -7.128 1.00 1.00 C ATOM 727 OG SER A 47 128.433 2.289 -6.855 1.00 1.00 O ATOM 0 H SER A 47 124.786 2.335 -8.021 1.00 1.00 H new ATOM 0 HA SER A 47 127.092 3.572 -8.819 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.478 2.843 -6.470 1.00 1.00 H new ATOM 0 HB3 SER A 47 126.698 1.167 -6.931 1.00 1.00 H new ATOM 0 HG SER A 47 128.602 2.055 -5.918 1.00 1.00 H new ATOM 733 N ASP A 48 127.145 0.466 -9.839 1.00 1.00 N ATOM 734 CA ASP A 48 127.946 -0.465 -10.630 1.00 1.00 C ATOM 735 C ASP A 48 127.582 -0.553 -12.115 1.00 1.00 C ATOM 736 O ASP A 48 128.239 -1.310 -12.830 1.00 1.00 O ATOM 737 CB ASP A 48 127.828 -1.860 -10.016 1.00 1.00 C ATOM 738 CG ASP A 48 128.560 -1.912 -8.676 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.349 -1.017 -8.416 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.322 -2.849 -7.931 1.00 1.00 O ATOM 0 H ASP A 48 126.210 0.134 -9.601 1.00 1.00 H new ATOM 0 HA ASP A 48 128.963 -0.073 -10.599 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.778 -2.115 -9.875 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.247 -2.601 -10.696 1.00 1.00 H new ATOM 745 N TRP A 49 126.538 0.141 -12.597 1.00 1.00 N ATOM 746 CA TRP A 49 126.179 -0.019 -14.015 1.00 1.00 C ATOM 747 C TRP A 49 125.900 1.274 -14.778 1.00 1.00 C ATOM 748 O TRP A 49 126.000 1.273 -16.005 1.00 1.00 O ATOM 749 CB TRP A 49 124.963 -0.934 -14.132 1.00 1.00 C ATOM 750 CG TRP A 49 123.891 -0.474 -13.204 1.00 1.00 C ATOM 751 CD1 TRP A 49 123.972 -0.485 -11.854 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.577 0.061 -13.531 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.793 -0.004 -11.334 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.900 0.352 -12.326 1.00 1.00 C ATOM 755 CE3 TRP A 49 121.915 0.317 -14.744 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.609 0.882 -12.323 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.617 0.852 -14.747 1.00 1.00 C ATOM 758 CH2 TRP A 49 119.964 1.134 -13.536 1.00 1.00 C ATOM 0 H TRP A 49 125.956 0.784 -12.061 1.00 1.00 H new ATOM 0 HA TRP A 49 127.066 -0.448 -14.482 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.594 -0.933 -15.157 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.245 -1.960 -13.896 1.00 1.00 H new ATOM 0 HD1 TRP A 49 124.823 -0.817 -11.278 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.601 0.080 -10.336 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.408 0.101 -15.680 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.112 1.096 -11.388 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 120.118 1.048 -15.685 1.00 1.00 H new ATOM 0 HH2 TRP A 49 118.965 1.545 -13.543 1.00 1.00 H new ATOM 769 N CYS A 50 125.576 2.375 -14.108 1.00 1.00 N ATOM 770 CA CYS A 50 125.331 3.624 -14.832 1.00 1.00 C ATOM 771 C CYS A 50 126.604 4.475 -14.828 1.00 1.00 C ATOM 772 O CYS A 50 127.386 4.414 -13.883 1.00 1.00 O ATOM 773 CB CYS A 50 124.149 4.385 -14.211 1.00 1.00 C ATOM 774 SG CYS A 50 124.484 4.784 -12.483 1.00 1.00 S ATOM 0 H CYS A 50 125.478 2.433 -13.094 1.00 1.00 H new ATOM 0 HA CYS A 50 125.068 3.397 -15.865 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.965 5.301 -14.772 1.00 1.00 H new ATOM 0 HB3 CYS A 50 123.244 3.781 -14.281 1.00 1.00 H new ATOM 779 N MET A 51 126.838 5.230 -15.908 1.00 1.00 N ATOM 780 CA MET A 51 128.057 6.046 -16.015 1.00 1.00 C ATOM 781 C MET A 51 127.790 7.535 -15.800 1.00 1.00 C ATOM 782 O MET A 51 128.606 8.227 -15.193 1.00 1.00 O ATOM 783 CB MET A 51 128.694 5.840 -17.396 1.00 1.00 C ATOM 784 CG MET A 51 130.011 6.621 -17.493 1.00 1.00 C ATOM 785 SD MET A 51 130.764 6.332 -19.112 1.00 1.00 S ATOM 786 CE MET A 51 129.894 7.647 -20.001 1.00 1.00 C ATOM 0 H MET A 51 126.211 5.294 -16.710 1.00 1.00 H new ATOM 0 HA MET A 51 128.734 5.718 -15.226 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.878 4.779 -17.565 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.007 6.172 -18.175 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.826 7.686 -17.351 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.692 6.307 -16.702 1.00 1.00 H new ATOM 0 HE1 MET A 51 130.212 7.653 -21.044 1.00 1.00 H new ATOM 0 HE2 MET A 51 128.819 7.471 -19.950 1.00 1.00 H new ATOM 0 HE3 MET A 51 130.126 8.610 -19.545 1.00 1.00 H new ATOM 796 N TRP A 52 126.659 8.032 -16.289 1.00 1.00 N ATOM 797 CA TRP A 52 126.326 9.442 -16.128 1.00 1.00 C ATOM 798 C TRP A 52 126.233 9.761 -14.646 1.00 1.00 C ATOM 799 O TRP A 52 126.478 10.887 -14.216 1.00 1.00 O ATOM 800 CB TRP A 52 124.997 9.750 -16.824 1.00 1.00 C ATOM 801 CG TRP A 52 125.137 9.478 -18.288 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.825 10.249 -19.160 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.597 8.368 -19.060 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.734 9.686 -20.421 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.989 8.524 -20.410 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.810 7.252 -18.722 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.614 7.605 -21.391 1.00 1.00 C ATOM 808 CZ3 TRP A 52 123.431 6.326 -19.707 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.832 6.502 -21.038 1.00 1.00 C ATOM 0 H TRP A 52 125.963 7.485 -16.796 1.00 1.00 H new ATOM 0 HA TRP A 52 127.102 10.058 -16.583 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.201 9.137 -16.402 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.719 10.791 -16.660 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.358 11.155 -18.913 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.165 10.082 -21.257 1.00 1.00 H new ATOM 0 HE3 TRP A 52 123.496 7.107 -17.699 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.926 7.745 -22.415 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 122.827 5.473 -19.437 1.00 1.00 H new ATOM 0 HH2 TRP A 52 123.537 5.786 -21.791 1.00 1.00 H new ATOM 820 N CYS A 53 125.898 8.743 -13.872 1.00 1.00 N ATOM 821 CA CYS A 53 125.789 8.888 -12.433 1.00 1.00 C ATOM 822 C CYS A 53 127.164 9.064 -11.833 1.00 1.00 C ATOM 823 O CYS A 53 127.375 9.928 -10.991 1.00 1.00 O ATOM 824 CB CYS A 53 125.148 7.648 -11.834 1.00 1.00 C ATOM 825 SG CYS A 53 125.919 6.194 -12.561 1.00 1.00 S ATOM 0 H CYS A 53 125.697 7.805 -14.218 1.00 1.00 H new ATOM 0 HA CYS A 53 125.174 9.761 -12.214 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.275 7.642 -10.751 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.076 7.645 -12.029 1.00 1.00 H new ATOM 830 N ILE A 54 128.107 8.256 -12.292 1.00 1.00 N ATOM 831 CA ILE A 54 129.458 8.353 -11.794 1.00 1.00 C ATOM 832 C ILE A 54 129.949 9.757 -12.052 1.00 1.00 C ATOM 833 O ILE A 54 130.576 10.377 -11.194 1.00 1.00 O ATOM 834 CB ILE A 54 130.359 7.372 -12.528 1.00 1.00 C ATOM 835 CG1 ILE A 54 129.766 5.963 -12.438 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.746 7.378 -11.895 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.583 4.994 -13.301 1.00 1.00 C ATOM 0 H ILE A 54 127.959 7.536 -13.000 1.00 1.00 H new ATOM 0 HA ILE A 54 129.478 8.121 -10.729 1.00 1.00 H new ATOM 0 HB ILE A 54 130.435 7.668 -13.574 1.00 1.00 H new ATOM 0 HG12 ILE A 54 129.764 5.626 -11.401 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.728 5.974 -12.772 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.390 6.674 -12.423 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.172 8.379 -11.961 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.669 7.085 -10.848 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.154 3.994 -13.231 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.563 5.326 -14.339 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.614 4.972 -12.947 1.00 1.00 H new ATOM 849 N LYS A 55 129.667 10.251 -13.250 1.00 1.00 N ATOM 850 CA LYS A 55 130.096 11.580 -13.619 1.00 1.00 C ATOM 851 C LYS A 55 129.479 12.618 -12.697 1.00 1.00 C ATOM 852 O LYS A 55 130.160 13.539 -12.252 1.00 1.00 O ATOM 853 CB LYS A 55 129.712 11.877 -15.073 1.00 1.00 C ATOM 854 CG LYS A 55 130.416 10.897 -16.028 1.00 1.00 C ATOM 855 CD LYS A 55 131.936 11.097 -15.983 1.00 1.00 C ATOM 856 CE LYS A 55 132.571 10.441 -17.206 1.00 1.00 C ATOM 857 NZ LYS A 55 134.053 10.599 -17.136 1.00 1.00 N ATOM 0 H LYS A 55 129.148 9.752 -13.972 1.00 1.00 H new ATOM 0 HA LYS A 55 131.180 11.629 -13.521 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.632 11.798 -15.193 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.987 12.901 -15.326 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.170 9.872 -15.751 1.00 1.00 H new ATOM 0 HG3 LYS A 55 130.054 11.048 -17.045 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.173 12.161 -15.963 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.344 10.662 -15.071 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.308 9.384 -17.244 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.188 10.898 -18.118 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.489 10.153 -17.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.294 11.611 -17.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.410 10.144 -16.272 1.00 1.00 H new ATOM 871 N MET A 56 128.191 12.466 -12.399 1.00 1.00 N ATOM 872 CA MET A 56 127.526 13.403 -11.521 1.00 1.00 C ATOM 873 C MET A 56 128.174 13.373 -10.142 1.00 1.00 C ATOM 874 O MET A 56 128.439 14.415 -9.545 1.00 1.00 O ATOM 875 CB MET A 56 126.035 13.068 -11.418 1.00 1.00 C ATOM 876 CG MET A 56 125.344 14.110 -10.539 1.00 1.00 C ATOM 877 SD MET A 56 123.554 13.860 -10.589 1.00 1.00 S ATOM 878 CE MET A 56 123.127 15.172 -9.423 1.00 1.00 C ATOM 0 H MET A 56 127.601 11.712 -12.751 1.00 1.00 H new ATOM 0 HA MET A 56 127.626 14.407 -11.934 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.584 13.055 -12.410 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.902 12.072 -10.995 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.703 14.030 -9.513 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.590 15.113 -10.886 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.653 14.737 -8.543 1.00 1.00 H new ATOM 0 HE2 MET A 56 124.032 15.701 -9.123 1.00 1.00 H new ATOM 0 HE3 MET A 56 122.439 15.871 -9.898 1.00 1.00 H new ATOM 888 N GLN A 57 128.439 12.163 -9.640 1.00 1.00 N ATOM 889 CA GLN A 57 129.063 12.017 -8.332 1.00 1.00 C ATOM 890 C GLN A 57 130.468 12.580 -8.339 1.00 1.00 C ATOM 891 O GLN A 57 130.854 13.337 -7.452 1.00 1.00 O ATOM 892 CB GLN A 57 129.186 10.544 -7.934 1.00 1.00 C ATOM 893 CG GLN A 57 127.811 9.926 -7.780 1.00 1.00 C ATOM 894 CD GLN A 57 127.934 8.506 -7.238 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.605 8.282 -6.230 1.00 1.00 O ATOM 896 NE2 GLN A 57 127.325 7.527 -7.849 1.00 1.00 N ATOM 0 H GLN A 57 128.233 11.285 -10.116 1.00 1.00 H new ATOM 0 HA GLN A 57 128.427 12.554 -7.628 1.00 1.00 H new ATOM 0 HB2 GLN A 57 129.754 10.002 -8.690 1.00 1.00 H new ATOM 0 HB3 GLN A 57 129.738 10.458 -6.998 1.00 1.00 H new ATOM 0 HG2 GLN A 57 127.205 10.530 -7.105 1.00 1.00 H new ATOM 0 HG3 GLN A 57 127.299 9.914 -8.742 1.00 1.00 H new ATOM 0 HE21 GLN A 57 126.769 7.714 -8.684 1.00 1.00 H new ATOM 0 HE22 GLN A 57 127.404 6.575 -7.492 1.00 1.00 H new ATOM 905 N ASP A 58 131.231 12.185 -9.336 1.00 1.00 N ATOM 906 CA ASP A 58 132.620 12.614 -9.447 1.00 1.00 C ATOM 907 C ASP A 58 132.777 14.106 -9.734 1.00 1.00 C ATOM 908 O ASP A 58 133.696 14.738 -9.212 1.00 1.00 O ATOM 909 CB ASP A 58 133.290 11.822 -10.573 1.00 1.00 C ATOM 910 CG ASP A 58 134.781 12.144 -10.649 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.188 13.131 -10.059 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.494 11.395 -11.298 1.00 1.00 O ATOM 0 H ASP A 58 130.918 11.567 -10.085 1.00 1.00 H new ATOM 0 HA ASP A 58 133.090 12.426 -8.482 1.00 1.00 H new ATOM 0 HB2 ASP A 58 133.152 10.754 -10.405 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.813 12.059 -11.524 1.00 1.00 H new ATOM 917 N GLN A 59 131.944 14.658 -10.597 1.00 1.00 N ATOM 918 CA GLN A 59 132.107 16.060 -10.960 1.00 1.00 C ATOM 919 C GLN A 59 131.302 17.052 -10.119 1.00 1.00 C ATOM 920 O GLN A 59 131.659 18.230 -10.084 1.00 1.00 O ATOM 921 CB GLN A 59 131.714 16.249 -12.422 1.00 1.00 C ATOM 922 CG GLN A 59 132.687 15.488 -13.321 1.00 1.00 C ATOM 923 CD GLN A 59 132.262 15.639 -14.777 1.00 1.00 C ATOM 924 OE1 GLN A 59 131.337 16.393 -15.079 1.00 1.00 O ATOM 925 NE2 GLN A 59 132.881 14.959 -15.702 1.00 1.00 N ATOM 0 H GLN A 59 131.168 14.176 -11.051 1.00 1.00 H new ATOM 0 HA GLN A 59 133.158 16.282 -10.773 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.698 15.890 -12.584 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.722 17.309 -12.676 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.699 15.871 -13.185 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.705 14.434 -13.044 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.647 14.335 -15.450 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.599 15.051 -16.678 1.00 1.00 H new ATOM 934 N ILE A 60 130.188 16.626 -9.521 1.00 1.00 N ATOM 935 CA ILE A 60 129.347 17.574 -8.787 1.00 1.00 C ATOM 936 C ILE A 60 129.256 17.278 -7.292 1.00 1.00 C ATOM 937 O ILE A 60 129.566 18.147 -6.480 1.00 1.00 O ATOM 938 CB ILE A 60 127.941 17.547 -9.412 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.049 17.906 -10.899 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.022 18.563 -8.720 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.715 17.625 -11.590 1.00 1.00 C ATOM 0 H ILE A 60 129.854 15.662 -9.528 1.00 1.00 H new ATOM 0 HA ILE A 60 129.805 18.560 -8.870 1.00 1.00 H new ATOM 0 HB ILE A 60 127.520 16.549 -9.289 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.315 18.957 -11.012 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.843 17.324 -11.368 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.033 18.529 -9.176 1.00 1.00 H new ATOM 0 HG22 ILE A 60 126.942 18.319 -7.661 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.438 19.564 -8.831 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.792 17.880 -12.647 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.468 16.568 -11.489 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.932 18.226 -11.128 1.00 1.00 H new ATOM 953 N LEU A 61 128.810 16.101 -6.911 1.00 1.00 N ATOM 954 CA LEU A 61 128.666 15.793 -5.491 1.00 1.00 C ATOM 955 C LEU A 61 130.014 15.822 -4.777 1.00 1.00 C ATOM 956 O LEU A 61 130.105 16.277 -3.637 1.00 1.00 O ATOM 957 CB LEU A 61 128.031 14.417 -5.281 1.00 1.00 C ATOM 958 CG LEU A 61 126.545 14.384 -5.725 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.651 14.947 -4.629 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.303 15.210 -6.990 1.00 1.00 C ATOM 0 H LEU A 61 128.543 15.349 -7.546 1.00 1.00 H new ATOM 0 HA LEU A 61 128.016 16.560 -5.070 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.593 13.670 -5.842 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.100 14.144 -4.228 1.00 1.00 H new ATOM 0 HG LEU A 61 126.307 13.340 -5.926 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.612 14.917 -4.956 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.764 14.350 -3.724 1.00 1.00 H new ATOM 0 HD13 LEU A 61 125.936 15.978 -4.421 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.249 15.157 -7.263 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.578 16.248 -6.805 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.909 14.814 -7.805 1.00 1.00 H new ATOM 972 N GLN A 62 131.052 15.302 -5.433 1.00 1.00 N ATOM 973 CA GLN A 62 132.382 15.237 -4.834 1.00 1.00 C ATOM 974 C GLN A 62 133.198 16.505 -5.097 1.00 1.00 C ATOM 975 O GLN A 62 134.359 16.594 -4.700 1.00 1.00 O ATOM 976 CB GLN A 62 133.130 14.023 -5.390 1.00 1.00 C ATOM 977 CG GLN A 62 132.449 12.735 -4.912 1.00 1.00 C ATOM 978 CD GLN A 62 132.630 12.573 -3.405 1.00 1.00 C ATOM 979 OE1 GLN A 62 133.746 12.682 -2.899 1.00 1.00 O ATOM 980 NE2 GLN A 62 131.593 12.316 -2.655 1.00 1.00 N ATOM 0 H GLN A 62 130.996 14.921 -6.377 1.00 1.00 H new ATOM 0 HA GLN A 62 132.255 15.146 -3.755 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.141 14.058 -6.479 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.169 14.041 -5.060 1.00 1.00 H new ATOM 0 HG2 GLN A 62 131.387 12.763 -5.157 1.00 1.00 H new ATOM 0 HG3 GLN A 62 132.873 11.876 -5.431 1.00 1.00 H new ATOM 0 HE21 GLN A 62 130.669 12.226 -3.076 1.00 1.00 H new ATOM 0 HE22 GLN A 62 131.707 12.205 -1.647 1.00 1.00 H new ATOM 989 N SER A 63 132.591 17.485 -5.757 1.00 1.00 N ATOM 990 CA SER A 63 133.281 18.739 -6.050 1.00 1.00 C ATOM 991 C SER A 63 133.315 19.644 -4.820 1.00 1.00 C ATOM 992 O SER A 63 132.456 19.539 -3.944 1.00 1.00 O ATOM 993 CB SER A 63 132.568 19.463 -7.187 1.00 1.00 C ATOM 994 OG SER A 63 131.490 20.222 -6.657 1.00 1.00 O ATOM 0 H SER A 63 131.631 17.438 -6.097 1.00 1.00 H new ATOM 0 HA SER A 63 134.305 18.506 -6.340 1.00 1.00 H new ATOM 0 HB2 SER A 63 133.265 20.117 -7.711 1.00 1.00 H new ATOM 0 HB3 SER A 63 132.197 18.743 -7.916 1.00 1.00 H new ATOM 0 HG SER A 63 130.712 19.640 -6.529 1.00 1.00 H new ATOM 1000 N SER A 64 134.328 20.502 -4.735 1.00 1.00 N ATOM 1001 CA SER A 64 134.488 21.382 -3.579 1.00 1.00 C ATOM 1002 C SER A 64 133.290 22.305 -3.360 1.00 1.00 C ATOM 1003 O SER A 64 132.854 22.492 -2.225 1.00 1.00 O ATOM 1004 CB SER A 64 135.746 22.236 -3.755 1.00 1.00 C ATOM 1005 OG SER A 64 136.885 21.390 -3.826 1.00 1.00 O ATOM 0 H SER A 64 135.048 20.607 -5.449 1.00 1.00 H new ATOM 0 HA SER A 64 134.570 20.739 -2.703 1.00 1.00 H new ATOM 0 HB2 SER A 64 135.668 22.836 -4.662 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.847 22.931 -2.921 1.00 1.00 H new ATOM 0 HG SER A 64 137.691 21.936 -3.940 1.00 1.00 H new ATOM 1011 N GLU A 65 132.777 22.911 -4.427 1.00 1.00 N ATOM 1012 CA GLU A 65 131.660 23.837 -4.290 1.00 1.00 C ATOM 1013 C GLU A 65 130.411 23.153 -3.747 1.00 1.00 C ATOM 1014 O GLU A 65 129.739 23.695 -2.870 1.00 1.00 O ATOM 1015 CB GLU A 65 131.323 24.467 -5.648 1.00 1.00 C ATOM 1016 CG GLU A 65 132.508 25.294 -6.162 1.00 1.00 C ATOM 1017 CD GLU A 65 133.496 24.403 -6.909 1.00 1.00 C ATOM 1018 OE1 GLU A 65 133.307 23.198 -6.899 1.00 1.00 O ATOM 1019 OE2 GLU A 65 134.432 24.942 -7.476 1.00 1.00 O ATOM 0 H GLU A 65 133.111 22.780 -5.382 1.00 1.00 H new ATOM 0 HA GLU A 65 131.971 24.604 -3.581 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.077 23.686 -6.367 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.442 25.102 -5.553 1.00 1.00 H new ATOM 0 HG2 GLU A 65 132.149 26.083 -6.823 1.00 1.00 H new ATOM 0 HG3 GLU A 65 133.009 25.782 -5.326 1.00 1.00 H new ATOM 1026 N PHE A 66 130.104 21.969 -4.257 1.00 1.00 N ATOM 1027 CA PHE A 66 128.927 21.242 -3.790 1.00 1.00 C ATOM 1028 C PHE A 66 129.063 20.837 -2.323 1.00 1.00 C ATOM 1029 O PHE A 66 128.105 20.935 -1.556 1.00 1.00 O ATOM 1030 CB PHE A 66 128.688 19.986 -4.626 1.00 1.00 C ATOM 1031 CG PHE A 66 127.346 19.407 -4.246 1.00 1.00 C ATOM 1032 CD1 PHE A 66 126.178 19.907 -4.831 1.00 1.00 C ATOM 1033 CD2 PHE A 66 127.267 18.385 -3.294 1.00 1.00 C ATOM 1034 CE1 PHE A 66 124.933 19.383 -4.466 1.00 1.00 C ATOM 1035 CE2 PHE A 66 126.021 17.864 -2.926 1.00 1.00 C ATOM 1036 CZ PHE A 66 124.854 18.364 -3.513 1.00 1.00 C ATOM 0 H PHE A 66 130.642 21.495 -4.983 1.00 1.00 H new ATOM 0 HA PHE A 66 128.079 21.919 -3.897 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.709 20.228 -5.689 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.479 19.257 -4.450 1.00 1.00 H new ATOM 0 HD1 PHE A 66 126.237 20.698 -5.564 1.00 1.00 H new ATOM 0 HD2 PHE A 66 128.168 17.998 -2.842 1.00 1.00 H new ATOM 0 HE1 PHE A 66 124.032 19.767 -4.921 1.00 1.00 H new ATOM 0 HE2 PHE A 66 125.961 17.077 -2.189 1.00 1.00 H new ATOM 0 HZ PHE A 66 123.892 17.963 -3.230 1.00 1.00 H new ATOM 1046 N LYS A 67 130.249 20.356 -1.941 1.00 1.00 N ATOM 1047 CA LYS A 67 130.464 19.918 -0.567 1.00 1.00 C ATOM 1048 C LYS A 67 130.243 21.054 0.399 1.00 1.00 C ATOM 1049 O LYS A 67 129.609 20.882 1.439 1.00 1.00 O ATOM 1050 CB LYS A 67 131.892 19.416 -0.355 1.00 1.00 C ATOM 1051 CG LYS A 67 132.116 18.067 -1.034 1.00 1.00 C ATOM 1052 CD LYS A 67 133.549 17.622 -0.739 1.00 1.00 C ATOM 1053 CE LYS A 67 133.830 16.268 -1.383 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.226 15.861 -1.058 1.00 1.00 N ATOM 0 H LYS A 67 131.059 20.262 -2.554 1.00 1.00 H new ATOM 0 HA LYS A 67 129.753 19.112 -0.386 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.598 20.146 -0.751 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.092 19.325 0.713 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.404 17.330 -0.662 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.956 18.150 -2.109 1.00 1.00 H new ATOM 0 HD2 LYS A 67 134.252 18.364 -1.117 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.702 17.558 0.338 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.125 15.522 -1.016 1.00 1.00 H new ATOM 0 HE3 LYS A 67 133.697 16.329 -2.463 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.285 14.823 -1.020 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.871 16.218 -1.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.497 16.258 -0.136 1.00 1.00 H new ATOM 1068 N HIS A 68 130.790 22.212 0.069 1.00 1.00 N ATOM 1069 CA HIS A 68 130.670 23.353 0.933 1.00 1.00 C ATOM 1070 C HIS A 68 129.227 23.785 1.051 1.00 1.00 C ATOM 1071 O HIS A 68 128.729 24.024 2.152 1.00 1.00 O ATOM 1072 CB HIS A 68 131.511 24.505 0.382 1.00 1.00 C ATOM 1073 CG HIS A 68 131.460 25.667 1.332 1.00 1.00 C ATOM 1074 ND1 HIS A 68 132.152 25.665 2.530 1.00 1.00 N ATOM 1075 CD2 HIS A 68 130.812 26.876 1.274 1.00 1.00 C ATOM 1076 CE1 HIS A 68 131.909 26.836 3.141 1.00 1.00 C ATOM 1077 NE2 HIS A 68 131.098 27.613 2.420 1.00 1.00 N ATOM 0 H HIS A 68 131.317 22.377 -0.788 1.00 1.00 H new ATOM 0 HA HIS A 68 131.031 23.078 1.924 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.542 24.181 0.243 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.137 24.806 -0.597 1.00 1.00 H new ATOM 0 HD2 HIS A 68 130.178 27.205 0.464 1.00 1.00 H new ATOM 0 HE1 HIS A 68 132.320 27.115 4.100 1.00 1.00 H new ATOM 0 HE2 HIS A 68 130.760 28.546 2.657 1.00 1.00 H new ATOM 1085 N PHE A 69 128.552 23.884 -0.085 1.00 1.00 N ATOM 1086 CA PHE A 69 127.171 24.295 -0.102 1.00 1.00 C ATOM 1087 C PHE A 69 126.302 23.313 0.670 1.00 1.00 C ATOM 1088 O PHE A 69 125.484 23.712 1.497 1.00 1.00 O ATOM 1089 CB PHE A 69 126.707 24.398 -1.555 1.00 1.00 C ATOM 1090 CG PHE A 69 125.215 24.579 -1.617 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.635 25.749 -1.119 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.413 23.579 -2.179 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.248 25.921 -1.183 1.00 1.00 C ATOM 1094 CE2 PHE A 69 123.028 23.751 -2.243 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.444 24.924 -1.746 1.00 1.00 C ATOM 0 H PHE A 69 128.946 23.683 -1.004 1.00 1.00 H new ATOM 0 HA PHE A 69 127.077 25.266 0.383 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.202 25.237 -2.043 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.994 23.498 -2.100 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.256 26.519 -0.686 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.864 22.676 -2.563 1.00 1.00 H new ATOM 0 HE1 PHE A 69 122.798 26.824 -0.798 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.407 22.980 -2.675 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.374 25.058 -1.798 1.00 1.00 H new ATOM 1105 N ALA A 70 126.449 22.028 0.359 1.00 1.00 N ATOM 1106 CA ALA A 70 125.642 20.998 0.983 1.00 1.00 C ATOM 1107 C ALA A 70 125.956 20.800 2.459 1.00 1.00 C ATOM 1108 O ALA A 70 125.056 20.533 3.254 1.00 1.00 O ATOM 1109 CB ALA A 70 125.824 19.667 0.253 1.00 1.00 C ATOM 0 H ALA A 70 127.123 21.680 -0.324 1.00 1.00 H new ATOM 0 HA ALA A 70 124.609 21.338 0.911 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.212 18.903 0.732 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.518 19.778 -0.787 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.872 19.371 0.293 1.00 1.00 H new ATOM 1115 N GLY A 71 127.221 20.920 2.833 1.00 1.00 N ATOM 1116 CA GLY A 71 127.591 20.735 4.221 1.00 1.00 C ATOM 1117 C GLY A 71 126.947 21.810 5.063 1.00 1.00 C ATOM 1118 O GLY A 71 126.571 21.580 6.212 1.00 1.00 O ATOM 0 H GLY A 71 127.994 21.141 2.205 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.274 19.750 4.565 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.675 20.776 4.328 1.00 1.00 H new ATOM 1122 N VAL A 72 126.852 23.000 4.492 1.00 1.00 N ATOM 1123 CA VAL A 72 126.292 24.129 5.186 1.00 1.00 C ATOM 1124 C VAL A 72 124.768 24.225 5.040 1.00 1.00 C ATOM 1125 O VAL A 72 124.087 24.584 6.002 1.00 1.00 O ATOM 1126 CB VAL A 72 126.960 25.395 4.655 1.00 1.00 C ATOM 1127 CG1 VAL A 72 126.143 26.613 5.053 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.367 25.506 5.248 1.00 1.00 C ATOM 0 H VAL A 72 127.161 23.201 3.541 1.00 1.00 H new ATOM 0 HA VAL A 72 126.484 24.006 6.252 1.00 1.00 H new ATOM 0 HB VAL A 72 127.021 25.346 3.568 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.624 27.514 4.672 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.140 26.531 4.633 1.00 1.00 H new ATOM 0 HG13 VAL A 72 126.078 26.668 6.140 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.850 26.408 4.873 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.301 25.555 6.335 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.953 24.634 4.959 1.00 1.00 H new ATOM 1138 N HIS A 73 124.233 24.004 3.828 1.00 1.00 N ATOM 1139 CA HIS A 73 122.795 24.183 3.591 1.00 1.00 C ATOM 1140 C HIS A 73 121.963 22.908 3.378 1.00 1.00 C ATOM 1141 O HIS A 73 120.749 23.037 3.226 1.00 1.00 O ATOM 1142 CB HIS A 73 122.599 25.097 2.379 1.00 1.00 C ATOM 1143 CG HIS A 73 122.899 26.520 2.771 1.00 1.00 C ATOM 1144 ND1 HIS A 73 124.070 27.163 2.394 1.00 1.00 N ATOM 1145 CD2 HIS A 73 122.191 27.435 3.510 1.00 1.00 C ATOM 1146 CE1 HIS A 73 124.033 28.408 2.906 1.00 1.00 C ATOM 1147 NE2 HIS A 73 122.907 28.625 3.595 1.00 1.00 N ATOM 0 H HIS A 73 124.766 23.706 3.011 1.00 1.00 H new ATOM 0 HA HIS A 73 122.420 24.611 4.521 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.255 24.786 1.566 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.576 25.017 2.012 1.00 1.00 H new ATOM 0 HD2 HIS A 73 121.224 27.258 3.958 1.00 1.00 H new ATOM 0 HE1 HIS A 73 124.816 29.141 2.776 1.00 1.00 H new ATOM 0 HE2 HIS A 73 122.632 29.480 4.079 1.00 1.00 H new ATOM 1155 N LEU A 74 122.547 21.700 3.297 1.00 1.00 N ATOM 1156 CA LEU A 74 121.689 20.530 3.021 1.00 1.00 C ATOM 1157 C LEU A 74 122.023 19.257 3.778 1.00 1.00 C ATOM 1158 O LEU A 74 123.117 19.096 4.323 1.00 1.00 O ATOM 1159 CB LEU A 74 121.712 20.183 1.534 1.00 1.00 C ATOM 1160 CG LEU A 74 120.981 21.240 0.704 1.00 1.00 C ATOM 1161 CD1 LEU A 74 121.983 22.235 0.132 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.277 20.533 -0.445 1.00 1.00 C ATOM 0 H LEU A 74 123.543 21.510 3.410 1.00 1.00 H new ATOM 0 HA LEU A 74 120.709 20.858 3.367 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.744 20.101 1.194 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.246 19.210 1.378 1.00 1.00 H new ATOM 0 HG LEU A 74 120.266 21.774 1.329 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.455 22.985 -0.458 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.516 22.724 0.947 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.696 21.709 -0.503 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.747 21.266 -1.053 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.014 20.016 -1.060 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.565 19.810 -0.046 1.00 1.00 H new ATOM 1174 N HIS A 75 121.086 18.316 3.703 1.00 1.00 N ATOM 1175 CA HIS A 75 121.252 16.987 4.260 1.00 1.00 C ATOM 1176 C HIS A 75 121.267 16.035 3.066 1.00 1.00 C ATOM 1177 O HIS A 75 120.325 16.043 2.274 1.00 1.00 O ATOM 1178 CB HIS A 75 120.091 16.639 5.193 1.00 1.00 C ATOM 1179 CG HIS A 75 120.115 17.552 6.386 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.136 17.517 7.320 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.246 18.523 6.817 1.00 1.00 C ATOM 1182 CE1 HIS A 75 120.861 18.439 8.259 1.00 1.00 C ATOM 1183 NE2 HIS A 75 119.719 19.081 8.002 1.00 1.00 N ATOM 0 H HIS A 75 120.184 18.461 3.249 1.00 1.00 H new ATOM 0 HA HIS A 75 122.167 16.918 4.849 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.143 16.739 4.664 1.00 1.00 H new ATOM 0 HB3 HIS A 75 120.168 15.601 5.515 1.00 1.00 H new ATOM 0 HD1 HIS A 75 121.950 16.903 7.300 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.335 18.810 6.314 1.00 1.00 H new ATOM 0 HE1 HIS A 75 121.487 18.636 9.116 1.00 1.00 H new ATOM 1191 N MET A 76 122.320 15.238 2.915 1.00 1.00 N ATOM 1192 CA MET A 76 122.394 14.324 1.775 1.00 1.00 C ATOM 1193 C MET A 76 122.109 12.890 2.188 1.00 1.00 C ATOM 1194 O MET A 76 122.603 12.404 3.205 1.00 1.00 O ATOM 1195 CB MET A 76 123.766 14.394 1.101 1.00 1.00 C ATOM 1196 CG MET A 76 123.797 13.399 -0.067 1.00 1.00 C ATOM 1197 SD MET A 76 124.545 14.163 -1.528 1.00 1.00 S ATOM 1198 CE MET A 76 123.157 15.225 -2.004 1.00 1.00 C ATOM 0 H MET A 76 123.118 15.203 3.550 1.00 1.00 H new ATOM 0 HA MET A 76 121.629 14.641 1.066 1.00 1.00 H new ATOM 0 HB2 MET A 76 123.958 15.405 0.741 1.00 1.00 H new ATOM 0 HB3 MET A 76 124.551 14.157 1.819 1.00 1.00 H new ATOM 0 HG2 MET A 76 124.363 12.512 0.218 1.00 1.00 H new ATOM 0 HG3 MET A 76 122.784 13.070 -0.299 1.00 1.00 H new ATOM 0 HE1 MET A 76 122.835 14.972 -3.014 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.329 15.074 -1.311 1.00 1.00 H new ATOM 0 HE3 MET A 76 123.470 16.269 -1.973 1.00 1.00 H new ATOM 1208 N VAL A 77 121.318 12.217 1.362 1.00 1.00 N ATOM 1209 CA VAL A 77 120.968 10.833 1.598 1.00 1.00 C ATOM 1210 C VAL A 77 121.327 10.031 0.357 1.00 1.00 C ATOM 1211 O VAL A 77 121.003 10.425 -0.762 1.00 1.00 O ATOM 1212 CB VAL A 77 119.470 10.728 1.895 1.00 1.00 C ATOM 1213 CG1 VAL A 77 119.031 9.264 1.875 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.190 11.323 3.277 1.00 1.00 C ATOM 0 H VAL A 77 120.907 12.616 0.518 1.00 1.00 H new ATOM 0 HA VAL A 77 121.514 10.440 2.455 1.00 1.00 H new ATOM 0 HB VAL A 77 118.914 11.275 1.134 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.964 9.201 2.088 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.231 8.838 0.892 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.585 8.708 2.631 1.00 1.00 H new ATOM 0 HG21 VAL A 77 118.124 11.251 3.495 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.752 10.772 4.031 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.494 12.370 3.291 1.00 1.00 H new ATOM 1224 N GLU A 78 122.004 8.911 0.560 1.00 1.00 N ATOM 1225 CA GLU A 78 122.411 8.067 -0.555 1.00 1.00 C ATOM 1226 C GLU A 78 121.388 6.961 -0.772 1.00 1.00 C ATOM 1227 O GLU A 78 121.077 6.199 0.144 1.00 1.00 O ATOM 1228 CB GLU A 78 123.790 7.458 -0.263 1.00 1.00 C ATOM 1229 CG GLU A 78 124.283 6.644 -1.468 1.00 1.00 C ATOM 1230 CD GLU A 78 124.602 7.572 -2.636 1.00 1.00 C ATOM 1231 OE1 GLU A 78 124.600 8.775 -2.432 1.00 1.00 O ATOM 1232 OE2 GLU A 78 124.851 7.065 -3.718 1.00 1.00 O ATOM 0 H GLU A 78 122.282 8.567 1.479 1.00 1.00 H new ATOM 0 HA GLU A 78 122.470 8.672 -1.460 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.503 8.250 -0.035 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.733 6.818 0.617 1.00 1.00 H new ATOM 0 HG2 GLU A 78 125.171 6.075 -1.193 1.00 1.00 H new ATOM 0 HG3 GLU A 78 123.522 5.923 -1.765 1.00 1.00 H new ATOM 1239 N VAL A 79 120.882 6.873 -1.999 1.00 1.00 N ATOM 1240 CA VAL A 79 119.909 5.857 -2.359 1.00 1.00 C ATOM 1241 C VAL A 79 120.399 5.132 -3.609 1.00 1.00 C ATOM 1242 O VAL A 79 120.251 5.620 -4.732 1.00 1.00 O ATOM 1243 CB VAL A 79 118.556 6.518 -2.648 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.451 5.462 -2.612 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.265 7.599 -1.597 1.00 1.00 C ATOM 0 H VAL A 79 121.135 7.500 -2.763 1.00 1.00 H new ATOM 0 HA VAL A 79 119.792 5.149 -1.539 1.00 1.00 H new ATOM 0 HB VAL A 79 118.589 6.978 -3.636 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.490 5.934 -2.818 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.650 4.701 -3.366 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.424 4.997 -1.626 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.302 8.063 -1.810 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.238 7.145 -0.606 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.048 8.357 -1.628 1.00 1.00 H new ATOM 1255 N ASP A 80 121.091 4.018 -3.377 1.00 1.00 N ATOM 1256 CA ASP A 80 121.730 3.291 -4.472 1.00 1.00 C ATOM 1257 C ASP A 80 121.054 1.990 -4.891 1.00 1.00 C ATOM 1258 O ASP A 80 120.538 1.251 -4.051 1.00 1.00 O ATOM 1259 CB ASP A 80 123.179 2.988 -4.092 1.00 1.00 C ATOM 1260 CG ASP A 80 123.219 2.117 -2.844 1.00 1.00 C ATOM 1261 OD1 ASP A 80 122.167 1.886 -2.271 1.00 1.00 O ATOM 1262 OD2 ASP A 80 124.303 1.696 -2.475 1.00 1.00 O ATOM 0 H ASP A 80 121.223 3.604 -2.454 1.00 1.00 H new ATOM 0 HA ASP A 80 121.649 3.952 -5.335 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.681 2.481 -4.916 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.719 3.918 -3.914 1.00 1.00 H new ATOM 1267 N PHE A 81 121.096 1.697 -6.186 1.00 1.00 N ATOM 1268 CA PHE A 81 120.524 0.460 -6.703 1.00 1.00 C ATOM 1269 C PHE A 81 121.583 -0.254 -7.544 1.00 1.00 C ATOM 1270 O PHE A 81 121.546 -0.208 -8.773 1.00 1.00 O ATOM 1271 CB PHE A 81 119.282 0.777 -7.540 1.00 1.00 C ATOM 1272 CG PHE A 81 118.342 1.602 -6.696 1.00 1.00 C ATOM 1273 CD1 PHE A 81 118.656 2.935 -6.398 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.171 1.030 -6.186 1.00 1.00 C ATOM 1275 CE1 PHE A 81 117.801 3.693 -5.592 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.312 1.791 -5.383 1.00 1.00 C ATOM 1277 CZ PHE A 81 116.628 3.122 -5.087 1.00 1.00 C ATOM 0 H PHE A 81 121.519 2.297 -6.894 1.00 1.00 H new ATOM 0 HA PHE A 81 120.221 -0.191 -5.883 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.561 1.322 -8.442 1.00 1.00 H new ATOM 0 HB3 PHE A 81 118.795 -0.144 -7.862 1.00 1.00 H new ATOM 0 HD1 PHE A 81 119.559 3.377 -6.791 1.00 1.00 H new ATOM 0 HD2 PHE A 81 116.930 0.002 -6.412 1.00 1.00 H new ATOM 0 HE1 PHE A 81 118.046 4.719 -5.359 1.00 1.00 H new ATOM 0 HE2 PHE A 81 115.406 1.351 -4.992 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.966 3.709 -4.468 1.00 1.00 H new ATOM 1287 N PRO A 82 122.546 -0.875 -6.900 1.00 1.00 N ATOM 1288 CA PRO A 82 123.664 -1.572 -7.597 1.00 1.00 C ATOM 1289 C PRO A 82 123.279 -2.924 -8.191 1.00 1.00 C ATOM 1290 O PRO A 82 122.277 -3.523 -7.802 1.00 1.00 O ATOM 1291 CB PRO A 82 124.726 -1.724 -6.508 1.00 1.00 C ATOM 1292 CG PRO A 82 123.972 -1.772 -5.222 1.00 1.00 C ATOM 1293 CD PRO A 82 122.672 -0.989 -5.433 1.00 1.00 C ATOM 0 HA PRO A 82 124.001 -1.004 -8.464 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.311 -2.632 -6.654 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.425 -0.888 -6.522 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.759 -2.803 -4.938 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.559 -1.334 -4.415 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.819 -1.511 -5.000 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.718 -0.008 -4.961 1.00 1.00 H new ATOM 1301 N GLN A 83 124.112 -3.419 -9.101 1.00 1.00 N ATOM 1302 CA GLN A 83 123.865 -4.729 -9.690 1.00 1.00 C ATOM 1303 C GLN A 83 124.146 -5.800 -8.649 1.00 1.00 C ATOM 1304 O GLN A 83 123.404 -6.770 -8.515 1.00 1.00 O ATOM 1305 CB GLN A 83 124.778 -4.990 -10.893 1.00 1.00 C ATOM 1306 CG GLN A 83 124.451 -4.035 -12.038 1.00 1.00 C ATOM 1307 CD GLN A 83 125.203 -4.466 -13.294 1.00 1.00 C ATOM 1308 OE1 GLN A 83 126.431 -4.415 -13.330 1.00 1.00 O ATOM 1309 NE2 GLN A 83 124.535 -4.897 -14.329 1.00 1.00 N ATOM 0 H GLN A 83 124.948 -2.944 -9.441 1.00 1.00 H new ATOM 0 HA GLN A 83 122.827 -4.755 -10.022 1.00 1.00 H new ATOM 0 HB2 GLN A 83 125.820 -4.868 -10.598 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.660 -6.021 -11.228 1.00 1.00 H new ATOM 0 HG2 GLN A 83 123.378 -4.032 -12.227 1.00 1.00 H new ATOM 0 HG3 GLN A 83 124.729 -3.017 -11.767 1.00 1.00 H new ATOM 0 HE21 GLN A 83 123.516 -4.939 -14.297 1.00 1.00 H new ATOM 0 HE22 GLN A 83 125.032 -5.192 -15.170 1.00 1.00 H new ATOM 1318 N LYS A 84 125.203 -5.576 -7.885 1.00 1.00 N ATOM 1319 CA LYS A 84 125.573 -6.477 -6.813 1.00 1.00 C ATOM 1320 C LYS A 84 125.105 -5.863 -5.505 1.00 1.00 C ATOM 1321 O LYS A 84 125.726 -4.958 -4.949 1.00 1.00 O ATOM 1322 CB LYS A 84 127.079 -6.678 -6.780 1.00 1.00 C ATOM 1323 CG LYS A 84 127.396 -8.056 -6.206 1.00 1.00 C ATOM 1324 CD LYS A 84 128.900 -8.277 -6.274 1.00 1.00 C ATOM 1325 CE LYS A 84 129.246 -9.661 -5.731 1.00 1.00 C ATOM 1326 NZ LYS A 84 130.718 -9.868 -5.818 1.00 1.00 N ATOM 0 H LYS A 84 125.821 -4.772 -7.991 1.00 1.00 H new ATOM 0 HA LYS A 84 125.108 -7.450 -6.968 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.491 -6.587 -7.785 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.547 -5.903 -6.173 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.050 -8.125 -5.175 1.00 1.00 H new ATOM 0 HG3 LYS A 84 126.874 -8.830 -6.770 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.244 -8.184 -7.304 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.416 -7.510 -5.696 1.00 1.00 H new ATOM 0 HE2 LYS A 84 128.915 -9.752 -4.697 1.00 1.00 H new ATOM 0 HE3 LYS A 84 128.724 -10.429 -6.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 130.958 -10.810 -5.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.020 -9.797 -6.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.205 -9.141 -5.255 1.00 1.00 H new ATOM 1340 N ASN A 85 123.976 -6.360 -5.064 1.00 1.00 N ATOM 1341 CA ASN A 85 123.342 -5.871 -3.839 1.00 1.00 C ATOM 1342 C ASN A 85 123.858 -6.574 -2.580 1.00 1.00 C ATOM 1343 O ASN A 85 123.827 -7.797 -2.452 1.00 1.00 O ATOM 1344 CB ASN A 85 121.830 -6.083 -3.934 1.00 1.00 C ATOM 1345 CG ASN A 85 121.228 -5.124 -4.955 1.00 1.00 C ATOM 1346 OD1 ASN A 85 121.759 -4.037 -5.176 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.144 -5.466 -5.597 1.00 1.00 N ATOM 0 H ASN A 85 123.465 -7.109 -5.531 1.00 1.00 H new ATOM 0 HA ASN A 85 123.590 -4.813 -3.751 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.617 -7.113 -4.221 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.371 -5.923 -2.959 1.00 1.00 H new ATOM 0 HD21 ASN A 85 119.736 -4.831 -6.283 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.705 -6.368 -5.412 1.00 1.00 H new ATOM 1354 N HIS A 86 124.324 -5.732 -1.658 1.00 1.00 N ATOM 1355 CA HIS A 86 124.853 -6.218 -0.385 1.00 1.00 C ATOM 1356 C HIS A 86 124.240 -5.444 0.779 1.00 1.00 C ATOM 1357 O HIS A 86 124.725 -5.532 1.907 1.00 1.00 O ATOM 1358 CB HIS A 86 126.374 -6.051 -0.346 1.00 1.00 C ATOM 1359 CG HIS A 86 127.017 -6.961 -1.352 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.954 -8.342 -1.245 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.758 -6.705 -2.479 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.640 -8.859 -2.281 1.00 1.00 C ATOM 1363 NE2 HIS A 86 128.150 -7.905 -3.063 1.00 1.00 N ATOM 0 H HIS A 86 124.346 -4.718 -1.767 1.00 1.00 H new ATOM 0 HA HIS A 86 124.597 -7.273 -0.293 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.640 -5.015 -0.558 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.747 -6.278 0.653 1.00 1.00 H new ATOM 0 HD1 HIS A 86 126.475 -8.869 -0.515 1.00 1.00 H new ATOM 0 HD2 HIS A 86 128.000 -5.722 -2.855 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.763 -9.917 -2.458 1.00 1.00 H new ATOM 1371 N GLN A 87 123.184 -4.685 0.512 1.00 1.00 N ATOM 1372 CA GLN A 87 122.538 -3.909 1.564 1.00 1.00 C ATOM 1373 C GLN A 87 121.502 -4.760 2.306 1.00 1.00 C ATOM 1374 O GLN A 87 120.982 -5.728 1.753 1.00 1.00 O ATOM 1375 CB GLN A 87 121.851 -2.688 0.955 1.00 1.00 C ATOM 1376 CG GLN A 87 122.772 -1.472 1.064 1.00 1.00 C ATOM 1377 CD GLN A 87 122.245 -0.340 0.187 1.00 1.00 C ATOM 1378 OE1 GLN A 87 121.682 -0.589 -0.878 1.00 1.00 O ATOM 1379 NE2 GLN A 87 122.394 0.898 0.575 1.00 1.00 N ATOM 0 H GLN A 87 122.761 -4.590 -0.411 1.00 1.00 H new ATOM 0 HA GLN A 87 123.300 -3.587 2.274 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.607 -2.879 -0.090 1.00 1.00 H new ATOM 0 HB3 GLN A 87 120.911 -2.492 1.471 1.00 1.00 H new ATOM 0 HG2 GLN A 87 122.832 -1.142 2.101 1.00 1.00 H new ATOM 0 HG3 GLN A 87 123.782 -1.742 0.756 1.00 1.00 H new ATOM 0 HE21 GLN A 87 122.861 1.103 1.458 1.00 1.00 H new ATOM 0 HE22 GLN A 87 122.043 1.660 -0.005 1.00 1.00 H new ATOM 1388 N PRO A 88 121.186 -4.416 3.533 1.00 1.00 N ATOM 1389 CA PRO A 88 120.183 -5.169 4.341 1.00 1.00 C ATOM 1390 C PRO A 88 118.767 -4.993 3.797 1.00 1.00 C ATOM 1391 O PRO A 88 118.469 -4.010 3.118 1.00 1.00 O ATOM 1392 CB PRO A 88 120.314 -4.578 5.748 1.00 1.00 C ATOM 1393 CG PRO A 88 120.904 -3.222 5.560 1.00 1.00 C ATOM 1394 CD PRO A 88 121.743 -3.278 4.283 1.00 1.00 C ATOM 0 HA PRO A 88 120.364 -6.244 4.319 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.343 -4.518 6.240 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.952 -5.199 6.376 1.00 1.00 H new ATOM 0 HG2 PRO A 88 120.121 -2.468 5.475 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.520 -2.947 6.416 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.666 -2.351 3.715 1.00 1.00 H new ATOM 0 HD3 PRO A 88 122.799 -3.428 4.507 1.00 1.00 H new ATOM 1402 N GLU A 89 117.911 -5.975 4.055 1.00 1.00 N ATOM 1403 CA GLU A 89 116.544 -5.945 3.544 1.00 1.00 C ATOM 1404 C GLU A 89 115.812 -4.651 3.907 1.00 1.00 C ATOM 1405 O GLU A 89 115.146 -4.071 3.057 1.00 1.00 O ATOM 1406 CB GLU A 89 115.765 -7.154 4.081 1.00 1.00 C ATOM 1407 CG GLU A 89 114.371 -7.222 3.438 1.00 1.00 C ATOM 1408 CD GLU A 89 114.492 -7.555 1.953 1.00 1.00 C ATOM 1409 OE1 GLU A 89 115.582 -7.900 1.529 1.00 1.00 O ATOM 1410 OE2 GLU A 89 113.488 -7.469 1.264 1.00 1.00 O ATOM 0 H GLU A 89 118.137 -6.799 4.612 1.00 1.00 H new ATOM 0 HA GLU A 89 116.601 -5.989 2.456 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.315 -8.071 3.870 1.00 1.00 H new ATOM 0 HB3 GLU A 89 115.670 -7.081 5.164 1.00 1.00 H new ATOM 0 HG2 GLU A 89 113.767 -7.978 3.940 1.00 1.00 H new ATOM 0 HG3 GLU A 89 113.857 -6.269 3.564 1.00 1.00 H new ATOM 1417 N GLU A 90 115.899 -4.200 5.153 1.00 1.00 N ATOM 1418 CA GLU A 90 115.180 -2.989 5.546 1.00 1.00 C ATOM 1419 C GLU A 90 115.591 -1.792 4.696 1.00 1.00 C ATOM 1420 O GLU A 90 114.754 -0.966 4.329 1.00 1.00 O ATOM 1421 CB GLU A 90 115.444 -2.679 7.023 1.00 1.00 C ATOM 1422 CG GLU A 90 114.919 -3.821 7.901 1.00 1.00 C ATOM 1423 CD GLU A 90 113.402 -3.935 7.775 1.00 1.00 C ATOM 1424 OE1 GLU A 90 112.788 -2.972 7.344 1.00 1.00 O ATOM 1425 OE2 GLU A 90 112.877 -4.987 8.104 1.00 1.00 O ATOM 0 H GLU A 90 116.445 -4.640 5.894 1.00 1.00 H new ATOM 0 HA GLU A 90 114.117 -3.170 5.389 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.513 -2.543 7.189 1.00 1.00 H new ATOM 0 HB3 GLU A 90 114.957 -1.744 7.299 1.00 1.00 H new ATOM 0 HG2 GLU A 90 115.386 -4.760 7.605 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.192 -3.643 8.941 1.00 1.00 H new ATOM 1432 N GLN A 91 116.875 -1.707 4.379 1.00 1.00 N ATOM 1433 CA GLN A 91 117.383 -0.606 3.564 1.00 1.00 C ATOM 1434 C GLN A 91 116.883 -0.729 2.129 1.00 1.00 C ATOM 1435 O GLN A 91 116.498 0.269 1.520 1.00 1.00 O ATOM 1436 CB GLN A 91 118.919 -0.603 3.599 1.00 1.00 C ATOM 1437 CG GLN A 91 119.479 0.545 2.744 1.00 1.00 C ATOM 1438 CD GLN A 91 119.064 1.894 3.325 1.00 1.00 C ATOM 1439 OE1 GLN A 91 119.073 2.078 4.542 1.00 1.00 O ATOM 1440 NE2 GLN A 91 118.698 2.855 2.519 1.00 1.00 N ATOM 0 H GLN A 91 117.583 -2.381 4.670 1.00 1.00 H new ATOM 0 HA GLN A 91 117.016 0.336 3.972 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.264 -0.499 4.628 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.298 -1.556 3.230 1.00 1.00 H new ATOM 0 HG2 GLN A 91 120.566 0.479 2.703 1.00 1.00 H new ATOM 0 HG3 GLN A 91 119.115 0.455 1.720 1.00 1.00 H new ATOM 0 HE21 GLN A 91 118.691 2.700 1.511 1.00 1.00 H new ATOM 0 HE22 GLN A 91 118.419 3.760 2.898 1.00 1.00 H new ATOM 1449 N ARG A 92 116.880 -1.941 1.586 1.00 1.00 N ATOM 1450 CA ARG A 92 116.410 -2.136 0.219 1.00 1.00 C ATOM 1451 C ARG A 92 114.928 -1.811 0.109 1.00 1.00 C ATOM 1452 O ARG A 92 114.504 -1.181 -0.856 1.00 1.00 O ATOM 1453 CB ARG A 92 116.654 -3.573 -0.250 1.00 1.00 C ATOM 1454 CG ARG A 92 118.148 -3.797 -0.486 1.00 1.00 C ATOM 1455 CD ARG A 92 118.376 -5.252 -0.896 1.00 1.00 C ATOM 1456 NE ARG A 92 117.695 -5.525 -2.157 1.00 1.00 N ATOM 1457 CZ ARG A 92 117.596 -6.761 -2.633 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.133 -7.755 -1.981 1.00 1.00 N ATOM 1459 NH2 ARG A 92 116.965 -6.979 -3.753 1.00 1.00 N ATOM 0 H ARG A 92 117.191 -2.789 2.060 1.00 1.00 H new ATOM 0 HA ARG A 92 116.975 -1.458 -0.421 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.286 -4.276 0.497 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.099 -3.764 -1.169 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.511 -3.126 -1.264 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.710 -3.569 0.419 1.00 1.00 H new ATOM 0 HD2 ARG A 92 119.443 -5.447 -1.000 1.00 1.00 H new ATOM 0 HD3 ARG A 92 118.004 -5.920 -0.120 1.00 1.00 H new ATOM 0 HE ARG A 92 117.287 -4.752 -2.683 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.629 -7.583 -1.106 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.057 -8.704 -2.346 1.00 1.00 H new ATOM 0 HH21 ARG A 92 116.548 -6.201 -4.263 1.00 1.00 H new ATOM 0 HH22 ARG A 92 116.889 -7.928 -4.119 1.00 1.00 H new ATOM 1473 N GLN A 93 114.134 -2.233 1.088 1.00 1.00 N ATOM 1474 CA GLN A 93 112.705 -1.957 1.047 1.00 1.00 C ATOM 1475 C GLN A 93 112.460 -0.457 1.047 1.00 1.00 C ATOM 1476 O GLN A 93 111.662 0.051 0.259 1.00 1.00 O ATOM 1477 CB GLN A 93 112.014 -2.568 2.266 1.00 1.00 C ATOM 1478 CG GLN A 93 112.069 -4.092 2.189 1.00 1.00 C ATOM 1479 CD GLN A 93 111.427 -4.691 3.434 1.00 1.00 C ATOM 1480 OE1 GLN A 93 110.953 -3.956 4.302 1.00 1.00 O ATOM 1481 NE2 GLN A 93 111.377 -5.986 3.575 1.00 1.00 N ATOM 0 H GLN A 93 114.449 -2.757 1.904 1.00 1.00 H new ATOM 0 HA GLN A 93 112.299 -2.396 0.136 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.499 -2.224 3.180 1.00 1.00 H new ATOM 0 HB3 GLN A 93 110.977 -2.235 2.311 1.00 1.00 H new ATOM 0 HG2 GLN A 93 111.549 -4.440 1.296 1.00 1.00 H new ATOM 0 HG3 GLN A 93 113.104 -4.425 2.105 1.00 1.00 H new ATOM 0 HE21 GLN A 93 111.770 -6.593 2.855 1.00 1.00 H new ATOM 0 HE22 GLN A 93 110.945 -6.392 4.405 1.00 1.00 H new ATOM 1490 N LYS A 94 113.147 0.250 1.935 1.00 1.00 N ATOM 1491 CA LYS A 94 112.982 1.689 2.018 1.00 1.00 C ATOM 1492 C LYS A 94 113.397 2.342 0.706 1.00 1.00 C ATOM 1493 O LYS A 94 112.718 3.241 0.209 1.00 1.00 O ATOM 1494 CB LYS A 94 113.833 2.252 3.161 1.00 1.00 C ATOM 1495 CG LYS A 94 113.464 3.728 3.400 1.00 1.00 C ATOM 1496 CD LYS A 94 114.717 4.561 3.711 1.00 1.00 C ATOM 1497 CE LYS A 94 115.218 4.236 5.120 1.00 1.00 C ATOM 1498 NZ LYS A 94 114.169 4.591 6.119 1.00 1.00 N ATOM 0 H LYS A 94 113.814 -0.145 2.598 1.00 1.00 H new ATOM 0 HA LYS A 94 111.932 1.907 2.211 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.668 1.673 4.070 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.892 2.166 2.916 1.00 1.00 H new ATOM 0 HG2 LYS A 94 112.964 4.130 2.518 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.758 3.802 4.228 1.00 1.00 H new ATOM 0 HD2 LYS A 94 115.497 4.349 2.980 1.00 1.00 H new ATOM 0 HD3 LYS A 94 114.487 5.624 3.633 1.00 1.00 H new ATOM 0 HE2 LYS A 94 115.462 3.176 5.195 1.00 1.00 H new ATOM 0 HE3 LYS A 94 116.134 4.789 5.328 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 114.600 5.126 6.900 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 113.438 5.173 5.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 113.737 3.722 6.492 1.00 1.00 H new ATOM 1512 N ASN A 95 114.520 1.894 0.145 1.00 1.00 N ATOM 1513 CA ASN A 95 115.006 2.458 -1.106 1.00 1.00 C ATOM 1514 C ASN A 95 114.004 2.237 -2.234 1.00 1.00 C ATOM 1515 O ASN A 95 113.735 3.154 -3.008 1.00 1.00 O ATOM 1516 CB ASN A 95 116.340 1.816 -1.492 1.00 1.00 C ATOM 1517 CG ASN A 95 117.448 2.285 -0.557 1.00 1.00 C ATOM 1518 OD1 ASN A 95 118.387 1.535 -0.286 1.00 1.00 O ATOM 1519 ND2 ASN A 95 117.407 3.486 -0.050 1.00 1.00 N ATOM 0 H ASN A 95 115.101 1.152 0.534 1.00 1.00 H new ATOM 0 HA ASN A 95 115.140 3.529 -0.957 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.254 0.730 -1.448 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.591 2.074 -2.521 1.00 1.00 H new ATOM 0 HD21 ASN A 95 118.152 3.803 0.570 1.00 1.00 H new ATOM 0 HD22 ASN A 95 116.630 4.108 -0.274 1.00 1.00 H new ATOM 1526 N GLN A 96 113.436 1.034 -2.331 1.00 1.00 N ATOM 1527 CA GLN A 96 112.462 0.747 -3.373 1.00 1.00 C ATOM 1528 C GLN A 96 111.212 1.575 -3.141 1.00 1.00 C ATOM 1529 O GLN A 96 110.611 2.091 -4.082 1.00 1.00 O ATOM 1530 CB GLN A 96 112.105 -0.742 -3.358 1.00 1.00 C ATOM 1531 CG GLN A 96 113.320 -1.577 -3.777 1.00 1.00 C ATOM 1532 CD GLN A 96 113.660 -1.318 -5.240 1.00 1.00 C ATOM 1533 OE1 GLN A 96 112.788 -1.401 -6.105 1.00 1.00 O ATOM 1534 NE2 GLN A 96 114.884 -1.010 -5.571 1.00 1.00 N ATOM 0 H GLN A 96 113.634 0.253 -1.705 1.00 1.00 H new ATOM 0 HA GLN A 96 112.890 1.000 -4.343 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.778 -1.036 -2.361 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.272 -0.932 -4.035 1.00 1.00 H new ATOM 0 HG2 GLN A 96 114.175 -1.328 -3.148 1.00 1.00 H new ATOM 0 HG3 GLN A 96 113.111 -2.636 -3.627 1.00 1.00 H new ATOM 0 HE21 GLN A 96 115.605 -0.942 -4.853 1.00 1.00 H new ATOM 0 HE22 GLN A 96 115.120 -0.837 -6.548 1.00 1.00 H new ATOM 1543 N GLU A 97 110.822 1.693 -1.874 1.00 1.00 N ATOM 1544 CA GLU A 97 109.638 2.457 -1.525 1.00 1.00 C ATOM 1545 C GLU A 97 109.826 3.917 -1.912 1.00 1.00 C ATOM 1546 O GLU A 97 108.934 4.543 -2.484 1.00 1.00 O ATOM 1547 CB GLU A 97 109.391 2.347 -0.022 1.00 1.00 C ATOM 1548 CG GLU A 97 108.066 3.020 0.338 1.00 1.00 C ATOM 1549 CD GLU A 97 107.824 2.906 1.839 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.750 2.538 2.541 1.00 1.00 O ATOM 1551 OE2 GLU A 97 106.716 3.185 2.264 1.00 1.00 O ATOM 0 H GLU A 97 111.307 1.272 -1.082 1.00 1.00 H new ATOM 0 HA GLU A 97 108.780 2.058 -2.066 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.369 1.299 0.276 1.00 1.00 H new ATOM 0 HB3 GLU A 97 110.208 2.817 0.525 1.00 1.00 H new ATOM 0 HG2 GLU A 97 108.087 4.069 0.042 1.00 1.00 H new ATOM 0 HG3 GLU A 97 107.248 2.551 -0.209 1.00 1.00 H new ATOM 1558 N LEU A 98 111.005 4.444 -1.607 1.00 1.00 N ATOM 1559 CA LEU A 98 111.339 5.825 -1.932 1.00 1.00 C ATOM 1560 C LEU A 98 111.418 6.014 -3.439 1.00 1.00 C ATOM 1561 O LEU A 98 111.003 7.039 -3.974 1.00 1.00 O ATOM 1562 CB LEU A 98 112.678 6.212 -1.290 1.00 1.00 C ATOM 1563 CG LEU A 98 112.479 6.823 0.117 1.00 1.00 C ATOM 1564 CD1 LEU A 98 111.362 6.118 0.901 1.00 1.00 C ATOM 1565 CD2 LEU A 98 113.783 6.690 0.908 1.00 1.00 C ATOM 0 H LEU A 98 111.749 3.933 -1.133 1.00 1.00 H new ATOM 0 HA LEU A 98 110.554 6.470 -1.537 1.00 1.00 H new ATOM 0 HB2 LEU A 98 113.316 5.331 -1.218 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.195 6.928 -1.929 1.00 1.00 H new ATOM 0 HG LEU A 98 112.198 7.868 -0.013 1.00 1.00 H new ATOM 0 HD11 LEU A 98 111.258 6.581 1.882 1.00 1.00 H new ATOM 0 HD12 LEU A 98 110.422 6.208 0.356 1.00 1.00 H new ATOM 0 HD13 LEU A 98 111.612 5.064 1.021 1.00 1.00 H new ATOM 0 HD21 LEU A 98 113.651 7.119 1.902 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.047 5.636 0.999 1.00 1.00 H new ATOM 0 HD23 LEU A 98 114.580 7.220 0.387 1.00 1.00 H new ATOM 1577 N LYS A 99 111.955 5.017 -4.121 1.00 1.00 N ATOM 1578 CA LYS A 99 112.087 5.087 -5.559 1.00 1.00 C ATOM 1579 C LYS A 99 110.711 5.222 -6.178 1.00 1.00 C ATOM 1580 O LYS A 99 110.527 5.955 -7.151 1.00 1.00 O ATOM 1581 CB LYS A 99 112.775 3.818 -6.066 1.00 1.00 C ATOM 1582 CG LYS A 99 113.045 3.939 -7.562 1.00 1.00 C ATOM 1583 CD LYS A 99 113.800 2.700 -8.045 1.00 1.00 C ATOM 1584 CE LYS A 99 114.082 2.836 -9.537 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.872 1.662 -10.002 1.00 1.00 N ATOM 0 H LYS A 99 112.304 4.155 -3.701 1.00 1.00 H new ATOM 0 HA LYS A 99 112.690 5.951 -5.838 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.711 3.662 -5.530 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.146 2.949 -5.870 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.105 4.040 -8.105 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.629 4.836 -7.766 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.734 2.591 -7.494 1.00 1.00 H new ATOM 0 HD3 LYS A 99 113.211 1.803 -7.854 1.00 1.00 H new ATOM 0 HE2 LYS A 99 113.145 2.900 -10.091 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.631 3.757 -9.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 115.065 1.754 -11.020 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.772 1.621 -9.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 114.332 0.790 -9.830 1.00 1.00 H new ATOM 1599 N ALA A 100 109.742 4.515 -5.615 1.00 1.00 N ATOM 1600 CA ALA A 100 108.388 4.566 -6.125 1.00 1.00 C ATOM 1601 C ALA A 100 107.634 5.781 -5.591 1.00 1.00 C ATOM 1602 O ALA A 100 106.817 6.370 -6.297 1.00 1.00 O ATOM 1603 CB ALA A 100 107.652 3.302 -5.724 1.00 1.00 C ATOM 0 H ALA A 100 109.871 3.903 -4.809 1.00 1.00 H new ATOM 0 HA ALA A 100 108.437 4.648 -7.211 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.632 3.338 -6.107 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.165 2.435 -6.139 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.629 3.224 -4.637 1.00 1.00 H new ATOM 1609 N GLN A 101 107.881 6.138 -4.332 1.00 1.00 N ATOM 1610 CA GLN A 101 107.183 7.253 -3.729 1.00 1.00 C ATOM 1611 C GLN A 101 107.549 8.566 -4.406 1.00 1.00 C ATOM 1612 O GLN A 101 106.702 9.440 -4.583 1.00 1.00 O ATOM 1613 CB GLN A 101 107.455 7.284 -2.224 1.00 1.00 C ATOM 1614 CG GLN A 101 106.770 8.491 -1.600 1.00 1.00 C ATOM 1615 CD GLN A 101 106.965 8.481 -0.088 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.097 8.548 0.393 1.00 1.00 O ATOM 1617 NE2 GLN A 101 105.925 8.397 0.695 1.00 1.00 N ATOM 0 H GLN A 101 108.553 5.672 -3.722 1.00 1.00 H new ATOM 0 HA GLN A 101 106.111 7.119 -3.875 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.090 6.367 -1.760 1.00 1.00 H new ATOM 0 HB3 GLN A 101 108.528 7.328 -2.040 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.179 9.409 -2.021 1.00 1.00 H new ATOM 0 HG3 GLN A 101 105.706 8.478 -1.837 1.00 1.00 H new ATOM 0 HE21 GLN A 101 104.988 8.342 0.295 1.00 1.00 H new ATOM 0 HE22 GLN A 101 106.048 8.387 1.707 1.00 1.00 H new ATOM 1626 N TYR A 102 108.823 8.717 -4.753 1.00 1.00 N ATOM 1627 CA TYR A 102 109.311 9.939 -5.374 1.00 1.00 C ATOM 1628 C TYR A 102 109.177 9.863 -6.889 1.00 1.00 C ATOM 1629 O TYR A 102 109.608 10.759 -7.617 1.00 1.00 O ATOM 1630 CB TYR A 102 110.787 10.165 -4.991 1.00 1.00 C ATOM 1631 CG TYR A 102 110.914 10.574 -3.529 1.00 1.00 C ATOM 1632 CD1 TYR A 102 110.493 9.709 -2.511 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.468 11.818 -3.189 1.00 1.00 C ATOM 1634 CE1 TYR A 102 110.618 10.082 -1.167 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.592 12.186 -1.845 1.00 1.00 C ATOM 1636 CZ TYR A 102 111.167 11.321 -0.835 1.00 1.00 C ATOM 1637 OH TYR A 102 111.291 11.691 0.488 1.00 1.00 O ATOM 0 H TYR A 102 109.538 8.003 -4.613 1.00 1.00 H new ATOM 0 HA TYR A 102 108.710 10.775 -5.015 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.356 9.253 -5.168 1.00 1.00 H new ATOM 0 HB3 TYR A 102 111.218 10.938 -5.628 1.00 1.00 H new ATOM 0 HD1 TYR A 102 110.069 8.748 -2.764 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.799 12.492 -3.966 1.00 1.00 H new ATOM 0 HE1 TYR A 102 110.289 9.411 -0.387 1.00 1.00 H new ATOM 0 HE2 TYR A 102 112.019 13.144 -1.587 1.00 1.00 H new ATOM 0 HH TYR A 102 110.557 12.294 0.729 1.00 1.00 H new ATOM 1647 N LYS A 103 108.558 8.772 -7.346 1.00 1.00 N ATOM 1648 CA LYS A 103 108.346 8.570 -8.772 1.00 1.00 C ATOM 1649 C LYS A 103 109.668 8.659 -9.510 1.00 1.00 C ATOM 1650 O LYS A 103 109.769 9.335 -10.534 1.00 1.00 O ATOM 1651 CB LYS A 103 107.390 9.633 -9.322 1.00 1.00 C ATOM 1652 CG LYS A 103 105.995 9.423 -8.738 1.00 1.00 C ATOM 1653 CD LYS A 103 105.046 10.491 -9.286 1.00 1.00 C ATOM 1654 CE LYS A 103 103.652 10.283 -8.696 1.00 1.00 C ATOM 1655 NZ LYS A 103 102.738 11.348 -9.195 1.00 1.00 N ATOM 0 H LYS A 103 108.200 8.024 -6.752 1.00 1.00 H new ATOM 0 HA LYS A 103 107.910 7.582 -8.920 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.754 10.629 -9.070 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.352 9.574 -10.410 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.628 8.429 -8.994 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.033 9.478 -7.650 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.415 11.485 -9.034 1.00 1.00 H new ATOM 0 HD3 LYS A 103 105.005 10.433 -10.374 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.270 9.301 -8.975 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.698 10.309 -7.607 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 101.789 11.207 -8.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.101 12.279 -8.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 102.685 11.302 -10.233 1.00 1.00 H new ATOM 1669 N VAL A 104 110.684 7.990 -8.990 1.00 1.00 N ATOM 1670 CA VAL A 104 111.987 8.029 -9.621 1.00 1.00 C ATOM 1671 C VAL A 104 112.108 6.904 -10.640 1.00 1.00 C ATOM 1672 O VAL A 104 111.924 5.732 -10.310 1.00 1.00 O ATOM 1673 CB VAL A 104 113.083 7.922 -8.562 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.449 7.912 -9.243 1.00 1.00 C ATOM 1675 CG2 VAL A 104 112.996 9.128 -7.624 1.00 1.00 C ATOM 0 H VAL A 104 110.631 7.422 -8.145 1.00 1.00 H new ATOM 0 HA VAL A 104 112.104 8.979 -10.143 1.00 1.00 H new ATOM 0 HB VAL A 104 112.953 7.001 -7.993 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.231 7.836 -8.488 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.512 7.059 -9.919 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.580 8.834 -9.809 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.776 9.057 -6.866 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.130 10.045 -8.197 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.020 9.142 -7.139 1.00 1.00 H new ATOM 1685 N THR A 105 112.405 7.274 -11.884 1.00 1.00 N ATOM 1686 CA THR A 105 112.533 6.304 -12.958 1.00 1.00 C ATOM 1687 C THR A 105 113.924 6.339 -13.564 1.00 1.00 C ATOM 1688 O THR A 105 114.554 5.303 -13.778 1.00 1.00 O ATOM 1689 CB THR A 105 111.500 6.596 -14.044 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.398 7.999 -14.237 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.143 6.034 -13.626 1.00 1.00 C ATOM 0 H THR A 105 112.561 8.241 -12.169 1.00 1.00 H new ATOM 0 HA THR A 105 112.362 5.312 -12.540 1.00 1.00 H new ATOM 0 HB THR A 105 111.812 6.125 -14.976 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.736 8.186 -14.935 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.407 6.244 -14.403 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.224 4.956 -13.484 1.00 1.00 H new ATOM 0 HG23 THR A 105 109.828 6.500 -12.693 1.00 1.00 H new ATOM 1699 N GLY A 106 114.380 7.549 -13.865 1.00 1.00 N ATOM 1700 CA GLY A 106 115.683 7.734 -14.481 1.00 1.00 C ATOM 1701 C GLY A 106 116.730 8.205 -13.478 1.00 1.00 C ATOM 1702 O GLY A 106 116.431 8.942 -12.539 1.00 1.00 O ATOM 0 H GLY A 106 113.866 8.413 -13.692 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.008 6.795 -14.930 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.602 8.462 -15.288 1.00 1.00 H new ATOM 1706 N PHE A 107 117.961 7.776 -13.713 1.00 1.00 N ATOM 1707 CA PHE A 107 119.092 8.143 -12.869 1.00 1.00 C ATOM 1708 C PHE A 107 120.210 8.714 -13.748 1.00 1.00 C ATOM 1709 O PHE A 107 120.318 8.347 -14.918 1.00 1.00 O ATOM 1710 CB PHE A 107 119.600 6.901 -12.137 1.00 1.00 C ATOM 1711 CG PHE A 107 118.761 5.718 -12.551 1.00 1.00 C ATOM 1712 CD1 PHE A 107 119.010 5.069 -13.767 1.00 1.00 C ATOM 1713 CD2 PHE A 107 117.721 5.280 -11.725 1.00 1.00 C ATOM 1714 CE1 PHE A 107 118.219 3.980 -14.154 1.00 1.00 C ATOM 1715 CE2 PHE A 107 116.931 4.192 -12.113 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.179 3.543 -13.326 1.00 1.00 C ATOM 0 H PHE A 107 118.205 7.165 -14.492 1.00 1.00 H new ATOM 0 HA PHE A 107 118.782 8.892 -12.140 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.648 6.723 -12.377 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.541 7.047 -11.059 1.00 1.00 H new ATOM 0 HD1 PHE A 107 119.812 5.408 -14.406 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.528 5.781 -10.788 1.00 1.00 H new ATOM 0 HE1 PHE A 107 118.412 3.478 -15.091 1.00 1.00 H new ATOM 0 HE2 PHE A 107 116.129 3.853 -11.474 1.00 1.00 H new ATOM 0 HZ PHE A 107 116.568 2.704 -13.624 1.00 1.00 H new ATOM 1726 N PRO A 108 121.048 9.581 -13.229 1.00 1.00 N ATOM 1727 CA PRO A 108 120.985 10.078 -11.818 1.00 1.00 C ATOM 1728 C PRO A 108 119.915 11.139 -11.618 1.00 1.00 C ATOM 1729 O PRO A 108 119.679 11.963 -12.503 1.00 1.00 O ATOM 1730 CB PRO A 108 122.357 10.706 -11.618 1.00 1.00 C ATOM 1731 CG PRO A 108 122.709 11.226 -12.967 1.00 1.00 C ATOM 1732 CD PRO A 108 122.179 10.187 -13.953 1.00 1.00 C ATOM 0 HA PRO A 108 120.739 9.278 -11.120 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.327 11.505 -10.877 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.085 9.974 -11.269 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.256 12.202 -13.143 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.787 11.352 -13.071 1.00 1.00 H new ATOM 0 HD2 PRO A 108 121.859 10.646 -14.888 1.00 1.00 H new ATOM 0 HD3 PRO A 108 122.939 9.447 -14.205 1.00 1.00 H new ATOM 1740 N GLU A 109 119.284 11.137 -10.449 1.00 1.00 N ATOM 1741 CA GLU A 109 118.263 12.130 -10.155 1.00 1.00 C ATOM 1742 C GLU A 109 118.401 12.606 -8.714 1.00 1.00 C ATOM 1743 O GLU A 109 118.442 11.799 -7.784 1.00 1.00 O ATOM 1744 CB GLU A 109 116.867 11.540 -10.369 1.00 1.00 C ATOM 1745 CG GLU A 109 115.816 12.634 -10.170 1.00 1.00 C ATOM 1746 CD GLU A 109 114.422 12.086 -10.461 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.299 10.882 -10.622 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.497 12.881 -10.524 1.00 1.00 O ATOM 0 H GLU A 109 119.460 10.467 -9.700 1.00 1.00 H new ATOM 0 HA GLU A 109 118.397 12.975 -10.830 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.787 11.122 -11.372 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.694 10.723 -9.669 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.861 13.010 -9.148 1.00 1.00 H new ATOM 0 HG3 GLU A 109 116.028 13.476 -10.829 1.00 1.00 H new ATOM 1755 N LEU A 110 118.470 13.920 -8.532 1.00 1.00 N ATOM 1756 CA LEU A 110 118.596 14.514 -7.211 1.00 1.00 C ATOM 1757 C LEU A 110 117.327 15.306 -6.928 1.00 1.00 C ATOM 1758 O LEU A 110 116.963 16.209 -7.682 1.00 1.00 O ATOM 1759 CB LEU A 110 119.831 15.432 -7.187 1.00 1.00 C ATOM 1760 CG LEU A 110 120.625 15.292 -5.877 1.00 1.00 C ATOM 1761 CD1 LEU A 110 121.996 15.946 -6.060 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.895 15.999 -4.733 1.00 1.00 C ATOM 0 H LEU A 110 118.440 14.598 -9.293 1.00 1.00 H new ATOM 0 HA LEU A 110 118.723 13.748 -6.446 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.478 15.192 -8.031 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.516 16.468 -7.311 1.00 1.00 H new ATOM 0 HG LEU A 110 120.730 14.234 -5.636 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.569 15.854 -5.138 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.530 15.450 -6.871 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.867 17.001 -6.302 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.469 15.891 -3.813 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.786 17.057 -4.970 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.909 15.553 -4.600 1.00 1.00 H new ATOM 1774 N VAL A 111 116.645 14.930 -5.857 1.00 1.00 N ATOM 1775 CA VAL A 111 115.392 15.571 -5.489 1.00 1.00 C ATOM 1776 C VAL A 111 115.498 16.293 -4.158 1.00 1.00 C ATOM 1777 O VAL A 111 115.954 15.725 -3.164 1.00 1.00 O ATOM 1778 CB VAL A 111 114.276 14.529 -5.410 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.837 14.139 -6.821 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.789 13.299 -4.685 1.00 1.00 C ATOM 0 H VAL A 111 116.939 14.184 -5.227 1.00 1.00 H new ATOM 0 HA VAL A 111 115.163 16.308 -6.259 1.00 1.00 H new ATOM 0 HB VAL A 111 113.427 14.947 -4.869 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.041 13.396 -6.762 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.471 15.022 -7.345 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.685 13.720 -7.363 1.00 1.00 H new ATOM 0 HG21 VAL A 111 113.996 12.554 -4.627 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.638 12.884 -5.228 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.103 13.575 -3.678 1.00 1.00 H new ATOM 1790 N PHE A 112 115.074 17.542 -4.139 1.00 1.00 N ATOM 1791 CA PHE A 112 115.123 18.336 -2.927 1.00 1.00 C ATOM 1792 C PHE A 112 113.757 18.356 -2.254 1.00 1.00 C ATOM 1793 O PHE A 112 112.750 18.686 -2.880 1.00 1.00 O ATOM 1794 CB PHE A 112 115.584 19.752 -3.269 1.00 1.00 C ATOM 1795 CG PHE A 112 116.949 19.667 -3.912 1.00 1.00 C ATOM 1796 CD1 PHE A 112 117.064 19.503 -5.298 1.00 1.00 C ATOM 1797 CD2 PHE A 112 118.100 19.732 -3.121 1.00 1.00 C ATOM 1798 CE1 PHE A 112 118.328 19.408 -5.892 1.00 1.00 C ATOM 1799 CE2 PHE A 112 119.365 19.635 -3.715 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.478 19.473 -5.099 1.00 1.00 C ATOM 0 H PHE A 112 114.692 18.029 -4.950 1.00 1.00 H new ATOM 0 HA PHE A 112 115.833 17.893 -2.229 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.875 20.229 -3.946 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.626 20.365 -2.369 1.00 1.00 H new ATOM 0 HD1 PHE A 112 116.176 19.450 -5.910 1.00 1.00 H new ATOM 0 HD2 PHE A 112 118.014 19.857 -2.052 1.00 1.00 H new ATOM 0 HE1 PHE A 112 118.415 19.285 -6.961 1.00 1.00 H new ATOM 0 HE2 PHE A 112 120.254 19.685 -3.103 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.454 19.398 -5.556 1.00 1.00 H new ATOM 1810 N ILE A 113 113.736 17.984 -0.975 1.00 1.00 N ATOM 1811 CA ILE A 113 112.498 17.953 -0.207 1.00 1.00 C ATOM 1812 C ILE A 113 112.682 18.632 1.134 1.00 1.00 C ATOM 1813 O ILE A 113 113.791 18.711 1.664 1.00 1.00 O ATOM 1814 CB ILE A 113 112.012 16.513 -0.013 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.048 15.699 0.765 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.810 15.872 -1.387 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.422 14.382 1.229 1.00 1.00 C ATOM 0 H ILE A 113 114.564 17.700 -0.451 1.00 1.00 H new ATOM 0 HA ILE A 113 111.740 18.498 -0.769 1.00 1.00 H new ATOM 0 HB ILE A 113 111.077 16.525 0.547 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.916 15.499 0.136 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.402 16.268 1.625 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.464 14.846 -1.262 1.00 1.00 H new ATOM 0 HG22 ILE A 113 111.068 16.440 -1.948 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.754 15.873 -1.931 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.161 13.803 1.783 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.568 14.592 1.873 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.090 13.811 0.362 1.00 1.00 H new ATOM 1829 N ASP A 114 111.566 19.062 1.701 1.00 1.00 N ATOM 1830 CA ASP A 114 111.581 19.666 3.010 1.00 1.00 C ATOM 1831 C ASP A 114 111.345 18.557 4.018 1.00 1.00 C ATOM 1832 O ASP A 114 111.260 17.385 3.654 1.00 1.00 O ATOM 1833 CB ASP A 114 110.497 20.745 3.129 1.00 1.00 C ATOM 1834 CG ASP A 114 109.116 20.106 3.236 1.00 1.00 C ATOM 1835 OD1 ASP A 114 109.004 18.926 2.943 1.00 1.00 O ATOM 1836 OD2 ASP A 114 108.189 20.808 3.606 1.00 1.00 O ATOM 0 H ASP A 114 110.643 19.001 1.271 1.00 1.00 H new ATOM 0 HA ASP A 114 112.538 20.156 3.192 1.00 1.00 H new ATOM 0 HB2 ASP A 114 110.687 21.364 4.006 1.00 1.00 H new ATOM 0 HB3 ASP A 114 110.533 21.403 2.261 1.00 1.00 H new ATOM 1841 N ALA A 115 111.266 18.918 5.275 1.00 1.00 N ATOM 1842 CA ALA A 115 111.072 17.942 6.339 1.00 1.00 C ATOM 1843 C ALA A 115 109.661 17.352 6.322 1.00 1.00 C ATOM 1844 O ALA A 115 109.399 16.357 6.996 1.00 1.00 O ATOM 1845 CB ALA A 115 111.323 18.612 7.689 1.00 1.00 C ATOM 0 H ALA A 115 111.333 19.884 5.596 1.00 1.00 H new ATOM 0 HA ALA A 115 111.777 17.127 6.179 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.179 17.885 8.488 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.344 18.991 7.723 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.625 19.439 7.820 1.00 1.00 H new ATOM 1851 N GLU A 116 108.757 17.942 5.540 1.00 1.00 N ATOM 1852 CA GLU A 116 107.394 17.431 5.439 1.00 1.00 C ATOM 1853 C GLU A 116 107.265 16.571 4.188 1.00 1.00 C ATOM 1854 O GLU A 116 106.204 16.007 3.919 1.00 1.00 O ATOM 1855 CB GLU A 116 106.391 18.586 5.386 1.00 1.00 C ATOM 1856 CG GLU A 116 106.359 19.297 6.739 1.00 1.00 C ATOM 1857 CD GLU A 116 105.411 20.491 6.682 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.807 20.696 5.642 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.302 21.183 7.682 1.00 1.00 O ATOM 0 H GLU A 116 108.944 18.768 4.972 1.00 1.00 H new ATOM 0 HA GLU A 116 107.177 16.826 6.319 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.670 19.288 4.601 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.399 18.209 5.138 1.00 1.00 H new ATOM 0 HG2 GLU A 116 106.036 18.603 7.515 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.361 19.631 7.007 1.00 1.00 H new ATOM 1866 N GLY A 117 108.353 16.446 3.442 1.00 1.00 N ATOM 1867 CA GLY A 117 108.336 15.619 2.246 1.00 1.00 C ATOM 1868 C GLY A 117 107.847 16.380 1.024 1.00 1.00 C ATOM 1869 O GLY A 117 107.546 15.770 -0.003 1.00 1.00 O ATOM 0 H GLY A 117 109.245 16.899 3.640 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.340 15.238 2.056 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.693 14.755 2.414 1.00 1.00 H new ATOM 1873 N LYS A 118 107.781 17.704 1.109 1.00 1.00 N ATOM 1874 CA LYS A 118 107.341 18.483 -0.041 1.00 1.00 C ATOM 1875 C LYS A 118 108.520 18.757 -0.957 1.00 1.00 C ATOM 1876 O LYS A 118 109.607 19.070 -0.491 1.00 1.00 O ATOM 1877 CB LYS A 118 106.673 19.787 0.396 1.00 1.00 C ATOM 1878 CG LYS A 118 105.268 19.469 0.907 1.00 1.00 C ATOM 1879 CD LYS A 118 104.582 20.752 1.383 1.00 1.00 C ATOM 1880 CE LYS A 118 103.165 20.431 1.868 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.505 21.684 2.325 1.00 1.00 N ATOM 0 H LYS A 118 108.019 18.248 1.938 1.00 1.00 H new ATOM 0 HA LYS A 118 106.597 17.904 -0.588 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.260 20.269 1.178 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.622 20.485 -0.440 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.680 19.005 0.115 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.323 18.751 1.725 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.158 21.206 2.189 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.543 21.478 0.571 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.588 19.975 1.064 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.202 19.708 2.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 101.542 21.469 2.655 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.053 22.101 3.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.457 22.359 1.535 1.00 1.00 H new ATOM 1895 N GLN A 119 108.300 18.610 -2.256 1.00 1.00 N ATOM 1896 CA GLN A 119 109.358 18.806 -3.237 1.00 1.00 C ATOM 1897 C GLN A 119 109.600 20.283 -3.532 1.00 1.00 C ATOM 1898 O GLN A 119 108.687 21.000 -3.936 1.00 1.00 O ATOM 1899 CB GLN A 119 108.982 18.057 -4.523 1.00 1.00 C ATOM 1900 CG GLN A 119 109.575 18.762 -5.740 1.00 1.00 C ATOM 1901 CD GLN A 119 109.507 17.848 -6.959 1.00 1.00 C ATOM 1902 OE1 GLN A 119 109.238 16.655 -6.825 1.00 1.00 O ATOM 1903 NE2 GLN A 119 109.745 18.338 -8.146 1.00 1.00 N ATOM 0 H GLN A 119 107.397 18.355 -2.655 1.00 1.00 H new ATOM 0 HA GLN A 119 110.288 18.411 -2.828 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.348 17.031 -4.475 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.897 18.005 -4.617 1.00 1.00 H new ATOM 0 HG2 GLN A 119 109.030 19.685 -5.937 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.610 19.039 -5.541 1.00 1.00 H new ATOM 0 HE21 GLN A 119 109.968 19.328 -8.254 1.00 1.00 H new ATOM 0 HE22 GLN A 119 109.708 17.731 -8.965 1.00 1.00 H new ATOM 1912 N LEU A 120 110.849 20.724 -3.351 1.00 1.00 N ATOM 1913 CA LEU A 120 111.199 22.114 -3.626 1.00 1.00 C ATOM 1914 C LEU A 120 111.807 22.244 -5.015 1.00 1.00 C ATOM 1915 O LEU A 120 111.656 23.274 -5.673 1.00 1.00 O ATOM 1916 CB LEU A 120 112.215 22.654 -2.606 1.00 1.00 C ATOM 1917 CG LEU A 120 111.690 22.443 -1.181 1.00 1.00 C ATOM 1918 CD1 LEU A 120 112.143 21.096 -0.645 1.00 1.00 C ATOM 1919 CD2 LEU A 120 112.223 23.529 -0.254 1.00 1.00 C ATOM 0 H LEU A 120 111.621 20.146 -3.020 1.00 1.00 H new ATOM 0 HA LEU A 120 110.278 22.693 -3.558 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.171 22.146 -2.729 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.392 23.715 -2.784 1.00 1.00 H new ATOM 0 HG LEU A 120 110.601 22.483 -1.216 1.00 1.00 H new ATOM 0 HD11 LEU A 120 111.763 20.961 0.367 1.00 1.00 H new ATOM 0 HD12 LEU A 120 111.760 20.302 -1.286 1.00 1.00 H new ATOM 0 HD13 LEU A 120 113.232 21.057 -0.631 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.842 23.366 0.754 1.00 1.00 H new ATOM 0 HD22 LEU A 120 113.312 23.493 -0.240 1.00 1.00 H new ATOM 0 HD23 LEU A 120 111.897 24.505 -0.612 1.00 1.00 H new ATOM 1931 N ALA A 121 112.485 21.182 -5.465 1.00 1.00 N ATOM 1932 CA ALA A 121 113.107 21.175 -6.784 1.00 1.00 C ATOM 1933 C ALA A 121 113.740 19.816 -7.081 1.00 1.00 C ATOM 1934 O ALA A 121 113.915 18.993 -6.182 1.00 1.00 O ATOM 1935 CB ALA A 121 114.194 22.248 -6.868 1.00 1.00 C ATOM 0 H ALA A 121 112.614 20.321 -4.933 1.00 1.00 H new ATOM 0 HA ALA A 121 112.326 21.380 -7.517 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.648 22.229 -7.859 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.752 23.228 -6.690 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.958 22.052 -6.115 1.00 1.00 H new ATOM 1941 N ARG A 122 114.084 19.590 -8.342 1.00 1.00 N ATOM 1942 CA ARG A 122 114.711 18.331 -8.739 1.00 1.00 C ATOM 1943 C ARG A 122 115.651 18.551 -9.924 1.00 1.00 C ATOM 1944 O ARG A 122 115.357 19.332 -10.829 1.00 1.00 O ATOM 1945 CB ARG A 122 113.641 17.295 -9.097 1.00 1.00 C ATOM 1946 CG ARG A 122 112.766 17.831 -10.227 1.00 1.00 C ATOM 1947 CD ARG A 122 111.687 16.803 -10.571 1.00 1.00 C ATOM 1948 NE ARG A 122 110.846 17.299 -11.653 1.00 1.00 N ATOM 1949 CZ ARG A 122 109.634 16.800 -11.870 1.00 1.00 C ATOM 1950 NH1 ARG A 122 109.169 15.851 -11.105 1.00 1.00 N ATOM 1951 NH2 ARG A 122 108.907 17.264 -12.849 1.00 1.00 N ATOM 0 H ARG A 122 113.942 20.254 -9.103 1.00 1.00 H new ATOM 0 HA ARG A 122 115.295 17.956 -7.899 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.113 16.361 -9.401 1.00 1.00 H new ATOM 0 HB3 ARG A 122 113.028 17.073 -8.223 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.304 18.772 -9.928 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.376 18.040 -11.105 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.152 15.862 -10.864 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.077 16.597 -9.692 1.00 1.00 H new ATOM 0 HE ARG A 122 111.195 18.044 -12.256 1.00 1.00 H new ATOM 0 HH11 ARG A 122 109.736 15.490 -10.338 1.00 1.00 H new ATOM 0 HH12 ARG A 122 108.238 15.470 -11.274 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.270 18.008 -13.445 1.00 1.00 H new ATOM 0 HH22 ARG A 122 107.976 16.883 -13.018 1.00 1.00 H new ATOM 1965 N MET A 123 116.777 17.836 -9.918 1.00 1.00 N ATOM 1966 CA MET A 123 117.740 17.944 -11.005 1.00 1.00 C ATOM 1967 C MET A 123 118.386 16.595 -11.310 1.00 1.00 C ATOM 1968 O MET A 123 118.410 15.695 -10.472 1.00 1.00 O ATOM 1969 CB MET A 123 118.859 18.925 -10.656 1.00 1.00 C ATOM 1970 CG MET A 123 118.300 20.334 -10.450 1.00 1.00 C ATOM 1971 SD MET A 123 119.667 21.520 -10.452 1.00 1.00 S ATOM 1972 CE MET A 123 120.158 21.322 -8.723 1.00 1.00 C ATOM 0 H MET A 123 117.039 17.184 -9.179 1.00 1.00 H new ATOM 0 HA MET A 123 117.186 18.299 -11.874 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.369 18.595 -9.751 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.601 18.936 -11.454 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.591 20.576 -11.241 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.756 20.389 -9.507 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.220 21.544 -8.619 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.582 22.006 -8.100 1.00 1.00 H new ATOM 0 HE3 MET A 123 119.969 20.296 -8.406 1.00 1.00 H new ATOM 1982 N GLY A 124 118.918 16.482 -12.517 1.00 1.00 N ATOM 1983 CA GLY A 124 119.581 15.256 -12.945 1.00 1.00 C ATOM 1984 C GLY A 124 121.028 15.552 -13.297 1.00 1.00 C ATOM 1985 O GLY A 124 121.652 16.427 -12.699 1.00 1.00 O ATOM 0 H GLY A 124 118.905 17.222 -13.218 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.535 14.510 -12.151 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.066 14.835 -13.808 1.00 1.00 H new ATOM 1989 N PHE A 125 121.550 14.852 -14.291 1.00 1.00 N ATOM 1990 CA PHE A 125 122.914 15.090 -14.729 1.00 1.00 C ATOM 1991 C PHE A 125 122.928 16.298 -15.655 1.00 1.00 C ATOM 1992 O PHE A 125 122.138 16.368 -16.596 1.00 1.00 O ATOM 1993 CB PHE A 125 123.447 13.861 -15.465 1.00 1.00 C ATOM 1994 CG PHE A 125 124.694 14.235 -16.226 1.00 1.00 C ATOM 1995 CD1 PHE A 125 125.881 14.499 -15.534 1.00 1.00 C ATOM 1996 CD2 PHE A 125 124.666 14.313 -17.624 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.040 14.843 -16.239 1.00 1.00 C ATOM 1998 CE2 PHE A 125 125.824 14.656 -18.330 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.012 14.920 -17.637 1.00 1.00 C ATOM 0 H PHE A 125 121.056 14.122 -14.804 1.00 1.00 H new ATOM 0 HA PHE A 125 123.551 15.281 -13.865 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.667 13.065 -14.754 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.691 13.477 -16.150 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.903 14.437 -14.456 1.00 1.00 H new ATOM 0 HD2 PHE A 125 123.750 14.108 -18.158 1.00 1.00 H new ATOM 0 HE1 PHE A 125 127.956 15.049 -15.705 1.00 1.00 H new ATOM 0 HE2 PHE A 125 125.802 14.717 -19.408 1.00 1.00 H new ATOM 0 HZ PHE A 125 127.907 15.183 -18.181 1.00 1.00 H new ATOM 2009 N GLU A 126 123.819 17.251 -15.401 1.00 1.00 N ATOM 2010 CA GLU A 126 123.898 18.438 -16.243 1.00 1.00 C ATOM 2011 C GLU A 126 125.349 18.908 -16.371 1.00 1.00 C ATOM 2012 O GLU A 126 126.112 18.822 -15.408 1.00 1.00 O ATOM 2013 CB GLU A 126 123.065 19.571 -15.636 1.00 1.00 C ATOM 2014 CG GLU A 126 121.601 19.141 -15.509 1.00 1.00 C ATOM 2015 CD GLU A 126 120.755 20.325 -15.050 1.00 1.00 C ATOM 2016 OE1 GLU A 126 121.329 21.288 -14.570 1.00 1.00 O ATOM 2017 OE2 GLU A 126 119.544 20.251 -15.184 1.00 1.00 O ATOM 0 H GLU A 126 124.487 17.226 -14.631 1.00 1.00 H new ATOM 0 HA GLU A 126 123.511 18.181 -17.229 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.460 19.837 -14.656 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.137 20.461 -16.261 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.236 18.771 -16.467 1.00 1.00 H new ATOM 0 HG3 GLU A 126 121.513 18.321 -14.796 1.00 1.00 H new ATOM 2024 N PRO A 127 125.747 19.418 -17.513 1.00 1.00 N ATOM 2025 CA PRO A 127 127.132 19.925 -17.716 1.00 1.00 C ATOM 2026 C PRO A 127 127.341 21.299 -17.083 1.00 1.00 C ATOM 2027 O PRO A 127 126.384 22.042 -16.859 1.00 1.00 O ATOM 2028 CB PRO A 127 127.255 20.015 -19.230 1.00 1.00 C ATOM 2029 CG PRO A 127 125.879 20.321 -19.688 1.00 1.00 C ATOM 2030 CD PRO A 127 124.943 19.573 -18.741 1.00 1.00 C ATOM 0 HA PRO A 127 127.877 19.279 -17.252 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.956 20.795 -19.527 1.00 1.00 H new ATOM 0 HB3 PRO A 127 127.618 19.080 -19.657 1.00 1.00 H new ATOM 0 HG2 PRO A 127 125.688 21.394 -19.659 1.00 1.00 H new ATOM 0 HG3 PRO A 127 125.730 19.999 -20.719 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.028 20.135 -18.554 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.645 18.608 -19.150 1.00 1.00 H new ATOM 2038 N GLY A 128 128.598 21.621 -16.800 1.00 1.00 N ATOM 2039 CA GLY A 128 128.923 22.904 -16.190 1.00 1.00 C ATOM 2040 C GLY A 128 129.799 22.736 -14.963 1.00 1.00 C ATOM 2041 O GLY A 128 130.538 23.657 -14.618 1.00 1.00 O ATOM 0 H GLY A 128 129.401 21.018 -16.981 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.434 23.534 -16.918 1.00 1.00 H new ATOM 0 HA3 GLY A 128 128.003 23.419 -15.913 1.00 1.00 H new ATOM 2045 N GLY A 129 129.766 21.580 -14.306 1.00 1.00 N ATOM 2046 CA GLY A 129 130.612 21.367 -13.146 1.00 1.00 C ATOM 2047 C GLY A 129 129.892 21.646 -11.827 1.00 1.00 C ATOM 2048 O GLY A 129 128.700 21.948 -11.798 1.00 1.00 O ATOM 0 H GLY A 129 129.171 20.790 -14.555 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.971 20.338 -13.148 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.489 22.010 -13.219 1.00 1.00 H new ATOM 2052 N GLY A 130 130.625 21.456 -10.735 1.00 1.00 N ATOM 2053 CA GLY A 130 130.060 21.594 -9.396 1.00 1.00 C ATOM 2054 C GLY A 130 129.548 22.991 -9.061 1.00 1.00 C ATOM 2055 O GLY A 130 128.477 23.127 -8.477 1.00 1.00 O ATOM 0 H GLY A 130 131.614 21.206 -10.750 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.239 20.885 -9.288 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.819 21.315 -8.665 1.00 1.00 H new ATOM 2059 N ALA A 131 130.312 24.017 -9.402 1.00 1.00 N ATOM 2060 CA ALA A 131 129.918 25.387 -9.092 1.00 1.00 C ATOM 2061 C ALA A 131 128.611 25.755 -9.768 1.00 1.00 C ATOM 2062 O ALA A 131 127.735 26.356 -9.156 1.00 1.00 O ATOM 2063 CB ALA A 131 130.998 26.345 -9.579 1.00 1.00 C ATOM 0 H ALA A 131 131.203 23.931 -9.890 1.00 1.00 H new ATOM 0 HA ALA A 131 129.789 25.462 -8.012 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.706 27.370 -9.349 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.940 26.115 -9.081 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.122 26.236 -10.657 1.00 1.00 H new ATOM 2069 N ALA A 132 128.488 25.437 -11.034 1.00 1.00 N ATOM 2070 CA ALA A 132 127.289 25.793 -11.754 1.00 1.00 C ATOM 2071 C ALA A 132 126.059 25.078 -11.190 1.00 1.00 C ATOM 2072 O ALA A 132 124.959 25.641 -11.160 1.00 1.00 O ATOM 2073 CB ALA A 132 127.464 25.462 -13.231 1.00 1.00 C ATOM 0 H ALA A 132 129.191 24.940 -11.580 1.00 1.00 H new ATOM 0 HA ALA A 132 127.126 26.864 -11.637 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.558 25.731 -13.774 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.308 26.023 -13.632 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.652 24.394 -13.345 1.00 1.00 H new ATOM 2079 N TYR A 133 126.242 23.837 -10.757 1.00 1.00 N ATOM 2080 CA TYR A 133 125.146 23.045 -10.213 1.00 1.00 C ATOM 2081 C TYR A 133 124.572 23.692 -8.957 1.00 1.00 C ATOM 2082 O TYR A 133 123.355 23.721 -8.769 1.00 1.00 O ATOM 2083 CB TYR A 133 125.649 21.641 -9.877 1.00 1.00 C ATOM 2084 CG TYR A 133 124.485 20.756 -9.499 1.00 1.00 C ATOM 2085 CD1 TYR A 133 123.817 20.025 -10.490 1.00 1.00 C ATOM 2086 CD2 TYR A 133 124.075 20.661 -8.164 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.741 19.201 -10.146 1.00 1.00 C ATOM 2088 CE2 TYR A 133 122.998 19.834 -7.821 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.331 19.106 -8.811 1.00 1.00 C ATOM 2090 OH TYR A 133 121.274 18.291 -8.468 1.00 1.00 O ATOM 0 H TYR A 133 127.141 23.356 -10.772 1.00 1.00 H new ATOM 0 HA TYR A 133 124.357 22.990 -10.963 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.175 21.219 -10.733 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.364 21.688 -9.055 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.133 20.098 -11.520 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.589 21.225 -7.399 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.226 18.638 -10.910 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.682 19.759 -6.791 1.00 1.00 H new ATOM 0 HH TYR A 133 121.581 17.362 -8.414 1.00 1.00 H new ATOM 2100 N VAL A 134 125.446 24.187 -8.085 1.00 1.00 N ATOM 2101 CA VAL A 134 124.979 24.796 -6.853 1.00 1.00 C ATOM 2102 C VAL A 134 124.175 26.058 -7.138 1.00 1.00 C ATOM 2103 O VAL A 134 123.199 26.339 -6.469 1.00 1.00 O ATOM 2104 CB VAL A 134 126.137 25.114 -5.904 1.00 1.00 C ATOM 2105 CG1 VAL A 134 127.278 24.122 -6.088 1.00 1.00 C ATOM 2106 CG2 VAL A 134 126.644 26.539 -6.127 1.00 1.00 C ATOM 0 H VAL A 134 126.459 24.178 -8.208 1.00 1.00 H new ATOM 0 HA VAL A 134 124.331 24.070 -6.363 1.00 1.00 H new ATOM 0 HB VAL A 134 125.764 25.030 -4.883 1.00 1.00 H new ATOM 0 HG11 VAL A 134 128.089 24.369 -5.403 1.00 1.00 H new ATOM 0 HG12 VAL A 134 126.921 23.114 -5.879 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.642 24.173 -7.114 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.467 26.744 -5.442 1.00 1.00 H new ATOM 0 HG22 VAL A 134 126.992 26.645 -7.154 1.00 1.00 H new ATOM 0 HG23 VAL A 134 125.835 27.246 -5.944 1.00 1.00 H new ATOM 2116 N SER A 135 124.580 26.837 -8.119 1.00 1.00 N ATOM 2117 CA SER A 135 123.840 28.053 -8.414 1.00 1.00 C ATOM 2118 C SER A 135 122.391 27.710 -8.753 1.00 1.00 C ATOM 2119 O SER A 135 121.456 28.400 -8.346 1.00 1.00 O ATOM 2120 CB SER A 135 124.485 28.780 -9.595 1.00 1.00 C ATOM 2121 OG SER A 135 125.836 29.088 -9.276 1.00 1.00 O ATOM 0 H SER A 135 125.392 26.662 -8.711 1.00 1.00 H new ATOM 0 HA SER A 135 123.860 28.701 -7.538 1.00 1.00 H new ATOM 0 HB2 SER A 135 124.443 28.156 -10.488 1.00 1.00 H new ATOM 0 HB3 SER A 135 123.935 29.694 -9.819 1.00 1.00 H new ATOM 0 HG SER A 135 126.253 29.552 -10.032 1.00 1.00 H new ATOM 2127 N LYS A 136 122.234 26.648 -9.531 1.00 1.00 N ATOM 2128 CA LYS A 136 120.916 26.205 -9.978 1.00 1.00 C ATOM 2129 C LYS A 136 120.027 25.744 -8.828 1.00 1.00 C ATOM 2130 O LYS A 136 118.835 26.045 -8.796 1.00 1.00 O ATOM 2131 CB LYS A 136 121.082 25.060 -10.969 1.00 1.00 C ATOM 2132 CG LYS A 136 121.766 25.585 -12.230 1.00 1.00 C ATOM 2133 CD LYS A 136 121.953 24.435 -13.220 1.00 1.00 C ATOM 2134 CE LYS A 136 122.621 24.956 -14.491 1.00 1.00 C ATOM 2135 NZ LYS A 136 122.762 23.840 -15.469 1.00 1.00 N ATOM 0 H LYS A 136 123.006 26.073 -9.868 1.00 1.00 H new ATOM 0 HA LYS A 136 120.428 27.060 -10.445 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.675 24.261 -10.524 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.110 24.634 -11.218 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.165 26.375 -12.681 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.731 26.024 -11.978 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.563 23.651 -12.771 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.988 23.989 -13.461 1.00 1.00 H new ATOM 0 HE2 LYS A 136 122.027 25.761 -14.924 1.00 1.00 H new ATOM 0 HE3 LYS A 136 123.600 25.374 -14.256 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 123.770 23.620 -15.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 122.269 22.998 -15.109 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 122.346 24.122 -16.380 1.00 1.00 H new ATOM 2149 N VAL A 137 120.602 24.997 -7.896 1.00 1.00 N ATOM 2150 CA VAL A 137 119.823 24.497 -6.776 1.00 1.00 C ATOM 2151 C VAL A 137 119.356 25.654 -5.891 1.00 1.00 C ATOM 2152 O VAL A 137 118.239 25.640 -5.377 1.00 1.00 O ATOM 2153 CB VAL A 137 120.631 23.449 -5.996 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.595 24.113 -5.046 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.687 22.557 -5.192 1.00 1.00 C ATOM 0 H VAL A 137 121.586 24.729 -7.893 1.00 1.00 H new ATOM 0 HA VAL A 137 118.927 24.002 -7.150 1.00 1.00 H new ATOM 0 HB VAL A 137 121.191 22.851 -6.716 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.156 23.351 -4.505 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.286 24.741 -5.609 1.00 1.00 H new ATOM 0 HG13 VAL A 137 121.041 24.728 -4.337 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.267 21.816 -4.642 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.119 23.168 -4.490 1.00 1.00 H new ATOM 0 HG23 VAL A 137 119.000 22.050 -5.870 1.00 1.00 H new ATOM 2165 N LYS A 138 120.222 26.649 -5.712 1.00 1.00 N ATOM 2166 CA LYS A 138 119.887 27.796 -4.878 1.00 1.00 C ATOM 2167 C LYS A 138 118.656 28.514 -5.420 1.00 1.00 C ATOM 2168 O LYS A 138 117.773 28.909 -4.660 1.00 1.00 O ATOM 2169 CB LYS A 138 121.064 28.774 -4.816 1.00 1.00 C ATOM 2170 CG LYS A 138 122.201 28.155 -4.000 1.00 1.00 C ATOM 2171 CD LYS A 138 123.390 29.117 -3.968 1.00 1.00 C ATOM 2172 CE LYS A 138 124.534 28.490 -3.170 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.685 29.435 -3.135 1.00 1.00 N ATOM 0 H LYS A 138 121.152 26.683 -6.130 1.00 1.00 H new ATOM 0 HA LYS A 138 119.671 27.431 -3.874 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.410 29.007 -5.823 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.747 29.713 -4.363 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.862 27.945 -2.985 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.501 27.204 -4.439 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.719 29.338 -4.983 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.093 30.063 -3.516 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.204 28.263 -2.156 1.00 1.00 H new ATOM 0 HE3 LYS A 138 124.836 27.547 -3.625 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.465 29.012 -2.593 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.004 29.630 -4.106 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.391 30.324 -2.682 1.00 1.00 H new ATOM 2187 N SER A 139 118.604 28.690 -6.733 1.00 1.00 N ATOM 2188 CA SER A 139 117.479 29.373 -7.347 1.00 1.00 C ATOM 2189 C SER A 139 116.212 28.543 -7.202 1.00 1.00 C ATOM 2190 O SER A 139 115.123 29.074 -6.982 1.00 1.00 O ATOM 2191 CB SER A 139 117.765 29.600 -8.831 1.00 1.00 C ATOM 2192 OG SER A 139 117.989 28.344 -9.459 1.00 1.00 O ATOM 0 H SER A 139 119.320 28.372 -7.386 1.00 1.00 H new ATOM 0 HA SER A 139 117.336 30.331 -6.847 1.00 1.00 H new ATOM 0 HB2 SER A 139 116.925 30.111 -9.302 1.00 1.00 H new ATOM 0 HB3 SER A 139 118.638 30.242 -8.952 1.00 1.00 H new ATOM 0 HG SER A 139 118.552 27.786 -8.883 1.00 1.00 H new ATOM 2198 N ALA A 140 116.362 27.235 -7.339 1.00 1.00 N ATOM 2199 CA ALA A 140 115.229 26.333 -7.247 1.00 1.00 C ATOM 2200 C ALA A 140 114.650 26.290 -5.835 1.00 1.00 C ATOM 2201 O ALA A 140 113.433 26.223 -5.662 1.00 1.00 O ATOM 2202 CB ALA A 140 115.665 24.937 -7.679 1.00 1.00 C ATOM 0 H ALA A 140 117.256 26.777 -7.514 1.00 1.00 H new ATOM 0 HA ALA A 140 114.444 26.701 -7.907 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.818 24.254 -7.612 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.024 24.970 -8.708 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.465 24.587 -7.026 1.00 1.00 H new ATOM 2208 N LEU A 141 115.516 26.303 -4.833 1.00 1.00 N ATOM 2209 CA LEU A 141 115.065 26.237 -3.446 1.00 1.00 C ATOM 2210 C LEU A 141 114.777 27.621 -2.864 1.00 1.00 C ATOM 2211 O LEU A 141 114.322 27.728 -1.725 1.00 1.00 O ATOM 2212 CB LEU A 141 116.128 25.544 -2.594 1.00 1.00 C ATOM 2213 CG LEU A 141 115.927 24.028 -2.635 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.922 23.543 -4.083 1.00 1.00 C ATOM 2215 CD2 LEU A 141 117.071 23.352 -1.877 1.00 1.00 C ATOM 0 H LEU A 141 116.528 26.358 -4.950 1.00 1.00 H new ATOM 0 HA LEU A 141 114.134 25.670 -3.432 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.122 25.797 -2.962 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.069 25.899 -1.565 1.00 1.00 H new ATOM 0 HG LEU A 141 114.973 23.776 -2.171 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.778 22.463 -4.104 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.111 24.028 -4.626 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.873 23.792 -4.553 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.935 22.271 -1.902 1.00 1.00 H new ATOM 0 HD22 LEU A 141 118.021 23.609 -2.347 1.00 1.00 H new ATOM 0 HD23 LEU A 141 117.074 23.694 -0.842 1.00 1.00 H new ATOM 2227 N LYS A 142 115.036 28.685 -3.633 1.00 1.00 N ATOM 2228 CA LYS A 142 114.796 30.052 -3.167 1.00 1.00 C ATOM 2229 C LYS A 142 115.679 30.375 -1.960 1.00 1.00 C ATOM 2230 O LYS A 142 115.204 30.915 -0.960 1.00 1.00 O ATOM 2231 CB LYS A 142 113.324 30.244 -2.771 1.00 1.00 C ATOM 2232 CG LYS A 142 112.375 29.602 -3.801 1.00 1.00 C ATOM 2233 CD LYS A 142 112.486 30.298 -5.160 1.00 1.00 C ATOM 2234 CE LYS A 142 111.482 29.662 -6.127 1.00 1.00 C ATOM 2235 NZ LYS A 142 111.569 30.329 -7.455 1.00 1.00 N ATOM 0 H LYS A 142 115.411 28.624 -4.579 1.00 1.00 H new ATOM 0 HA LYS A 142 115.041 30.726 -3.988 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.150 29.803 -1.789 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.105 31.308 -2.686 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.613 28.544 -3.910 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.348 29.662 -3.441 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.285 31.364 -5.055 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.499 30.202 -5.551 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.688 28.597 -6.231 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.471 29.754 -5.729 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 110.886 29.894 -8.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 111.352 31.341 -7.350 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 112.530 30.219 -7.836 1.00 1.00 H new ATOM 2249 N LEU A 143 116.969 30.074 -2.076 1.00 1.00 N ATOM 2250 CA LEU A 143 117.931 30.363 -1.014 1.00 1.00 C ATOM 2251 C LEU A 143 118.629 31.686 -1.322 1.00 1.00 C ATOM 2252 O LEU A 143 119.227 31.848 -2.386 1.00 1.00 O ATOM 2253 CB LEU A 143 118.994 29.255 -0.951 1.00 1.00 C ATOM 2254 CG LEU A 143 118.604 28.077 -0.025 1.00 1.00 C ATOM 2255 CD1 LEU A 143 117.083 27.900 0.116 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.187 26.791 -0.613 1.00 1.00 C ATOM 0 H LEU A 143 117.375 29.628 -2.898 1.00 1.00 H new ATOM 0 HA LEU A 143 117.404 30.419 -0.061 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.170 28.873 -1.957 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.934 29.684 -0.604 1.00 1.00 H new ATOM 0 HG LEU A 143 119.000 28.294 0.967 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.874 27.059 0.777 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.648 28.807 0.535 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.647 27.708 -0.864 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.924 25.947 0.025 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.781 26.631 -1.612 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.272 26.877 -0.671 1.00 1.00 H new ATOM 2268 N ARG A 144 118.556 32.626 -0.381 1.00 1.00 N ATOM 2269 CA ARG A 144 119.189 33.930 -0.552 1.00 1.00 C ATOM 2270 C ARG A 144 120.327 34.107 0.451 1.00 1.00 C ATOM 2271 O ARG A 144 120.984 33.123 0.751 1.00 1.00 O ATOM 2272 CB ARG A 144 118.151 35.041 -0.363 1.00 1.00 C ATOM 2273 CG ARG A 144 117.554 34.957 1.046 1.00 1.00 C ATOM 2274 CD ARG A 144 116.499 36.050 1.224 1.00 1.00 C ATOM 2275 NE ARG A 144 115.911 35.969 2.556 1.00 1.00 N ATOM 2276 CZ ARG A 144 114.767 36.588 2.841 1.00 1.00 C ATOM 2277 NH1 ARG A 144 114.172 37.311 1.932 1.00 1.00 N ATOM 2278 NH2 ARG A 144 114.246 36.477 4.032 1.00 1.00 N ATOM 2279 OXT ARG A 144 120.522 35.224 0.905 1.00 1.00 O ATOM 0 H ARG A 144 118.066 32.508 0.506 1.00 1.00 H new ATOM 0 HA ARG A 144 119.600 33.989 -1.560 1.00 1.00 H new ATOM 0 HB2 ARG A 144 118.616 36.015 -0.514 1.00 1.00 H new ATOM 0 HB3 ARG A 144 117.362 34.945 -1.109 1.00 1.00 H new ATOM 0 HG2 ARG A 144 117.106 33.976 1.204 1.00 1.00 H new ATOM 0 HG3 ARG A 144 118.340 35.072 1.792 1.00 1.00 H new ATOM 0 HD2 ARG A 144 116.952 37.030 1.077 1.00 1.00 H new ATOM 0 HD3 ARG A 144 115.721 35.942 0.468 1.00 1.00 H new ATOM 0 HE ARG A 144 116.384 35.429 3.281 1.00 1.00 H new ATOM 0 HH11 ARG A 144 114.583 37.402 1.003 1.00 1.00 H new ATOM 0 HH12 ARG A 144 113.296 37.785 2.150 1.00 1.00 H new ATOM 0 HH21 ARG A 144 114.715 35.917 4.744 1.00 1.00 H new ATOM 0 HH22 ARG A 144 113.370 36.951 4.252 1.00 1.00 H new TER 2293 ARG A 144