USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1195 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 222 CYS SG : rot -135:sc= -3.37! USER MOD Set 1.2: B 225 CYS SG : rot 150:sc= 0.791 USER MOD Set 1.3: B 240 HIS : no HE2:sc= 0.338 K(o=-2.5,f=-4.1) USER MOD Set 1.4: B 242 HIS : no HE2:sc= -0.253 K(o=-2.5,f=-3.2) USER MOD Set 2.1: B 218 THR OG1 : rot 55:sc= 0.952 USER MOD Set 2.2: B 246 LYS NZ :NH3+ 152:sc= -6.22! (180deg=-6.63!) USER MOD Set 3.1: B 209 CYS SG : rot -179:sc= 0.668 USER MOD Set 3.2: B 212 CYS SG : rot -42:sc= 0.637 USER MOD Set 3.3: B 231 CYS SG : rot -142:sc= 0.942 USER MOD Set 3.4: B 234 CYS SG : rot 88:sc= -2.1! USER MOD Set 4.1: A 98 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=0.018) USER MOD Set 4.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 43 HIS : no HD1:sc= -3.65! C(o=-7.3!,f=-19!) USER MOD Set 5.2: A 76 THR OG1 : rot 33:sc= -3.63! USER MOD Set 6.1: A 51 TYR OH : rot -80:sc= 1.01 USER MOD Set 6.2: A 55 GLN : amide:sc= -6.2! C(o=-5.2!,f=-7!) USER MOD Single : A 0 SER OG : rot 121:sc= 0.761 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.031 (180deg=-0.522) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0831 K(o=-0.083,f=-0.77) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -167:sc=-0.00593 (180deg=-0.17) USER MOD Single : A 10 THR OG1 : rot 62:sc= 0.0897 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.0732 (180deg=-0.739) USER MOD Single : A 25 LYS NZ :NH3+ -111:sc= -0.632 (180deg=-2!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 SER OG : rot 78:sc= 0.937 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-5.6!) USER MOD Single : A 37 LYS NZ :NH3+ -124:sc= -0.928 (180deg=-2.27!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -148:sc= -0.297 (180deg=-1.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -124:sc= -3.46! (180deg=-4.13!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.639 (180deg=-1.08) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 71:sc= -7.37! USER MOD Single : A 53 GLN : amide:sc= -1.05 K(o=-1,f=-3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -6.77! C(o=-6.8!,f=-12!) USER MOD Single : A 61 SER OG : rot 130:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.000596 K(o=-0.0006,f=-1.6!) USER MOD Single : A 74 ASN : amide:sc= -0.94! C(o=-0.94!,f=-6.8!) USER MOD Single : A 75 HIS : no HE2:sc= -8.52! C(o=-8.5!,f=-14!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -125:sc= -0.17 (180deg=-0.418) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -4.59! C(o=-4.6!,f=-4.3!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 95 THR OG1 : rot 138:sc= 1.18 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 202 GLN : amide:sc= -1.17 K(o=-1.2,f=-7.8!) USER MOD Single : B 207 TYR OH : rot 180:sc= 0 USER MOD Single : B 208 THR OG1 : rot 180:sc= 0 USER MOD Single : B 210 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.9!) USER MOD Single : B 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 214 HIS : no HE2:sc= -0.695 K(o=-0.7,f=-2.5!) USER MOD Single : B 215 HIS : no HE2:sc= -0.0344 X(o=-0.034,f=-0.49) USER MOD Single : B 221 HIS : no HE2:sc= -8.17! C(o=-8.2!,f=-12!) USER MOD Single : B 223 THR OG1 : rot 180:sc= 0 USER MOD Single : B 228 TYR OH : rot 180:sc= 0 USER MOD Single : B 233 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.064) USER MOD Single : B 235 TYR OH : rot 180:sc= 0 USER MOD Single : B 236 ASN : amide:sc= -0.0817 K(o=-0.082,f=-1) USER MOD Single : B 237 THR OG1 : rot -81:sc= 0.296 USER MOD Single : B 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 239 SER OG : rot 63:sc= 0.296 USER MOD Single : B 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 244 MET CE :methyl 168:sc= -0.125 (180deg=-0.443) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.378 -17.009 -28.747 1.00 0.00 N ATOM 2 CA GLY A -1 24.636 -15.935 -29.463 1.00 0.00 C ATOM 3 C GLY A -1 23.206 -16.393 -29.729 1.00 0.00 C ATOM 4 O GLY A -1 22.264 -15.605 -29.634 1.00 0.00 O ATOM 0 H1 GLY A -1 26.269 -16.625 -28.373 1.00 0.00 H new ATOM 0 H2 GLY A -1 24.798 -17.367 -27.961 1.00 0.00 H new ATOM 0 H3 GLY A -1 25.585 -17.786 -29.406 1.00 0.00 H new ATOM 0 HA2 GLY A -1 24.632 -15.022 -28.867 1.00 0.00 H new ATOM 0 HA3 GLY A -1 25.134 -15.699 -30.403 1.00 0.00 H new ATOM 10 N SER A 0 23.051 -17.671 -30.062 1.00 0.00 N ATOM 11 CA SER A 0 21.728 -18.222 -30.339 1.00 0.00 C ATOM 12 C SER A 0 20.920 -18.344 -29.051 1.00 0.00 C ATOM 13 O SER A 0 21.477 -18.345 -27.955 1.00 0.00 O ATOM 14 CB SER A 0 21.863 -19.595 -30.995 1.00 0.00 C ATOM 15 OG SER A 0 22.396 -20.516 -30.051 1.00 0.00 O ATOM 0 H SER A 0 23.817 -18.339 -30.146 1.00 0.00 H new ATOM 0 HA SER A 0 21.206 -17.547 -31.018 1.00 0.00 H new ATOM 0 HB2 SER A 0 20.891 -19.940 -31.348 1.00 0.00 H new ATOM 0 HB3 SER A 0 22.514 -19.532 -31.867 1.00 0.00 H new ATOM 0 HG SER A 0 21.766 -21.256 -29.924 1.00 0.00 H new ATOM 21 N MET A 1 19.601 -18.443 -29.194 1.00 0.00 N ATOM 22 CA MET A 1 18.722 -18.561 -28.036 1.00 0.00 C ATOM 23 C MET A 1 19.004 -19.857 -27.281 1.00 0.00 C ATOM 24 O MET A 1 18.990 -19.889 -26.051 1.00 0.00 O ATOM 25 CB MET A 1 17.262 -18.536 -28.487 1.00 0.00 C ATOM 26 CG MET A 1 16.871 -17.110 -28.870 1.00 0.00 C ATOM 27 SD MET A 1 15.131 -17.080 -29.375 1.00 0.00 S ATOM 28 CE MET A 1 15.334 -17.854 -31.001 1.00 0.00 C ATOM 0 H MET A 1 19.121 -18.444 -30.094 1.00 0.00 H new ATOM 0 HA MET A 1 18.910 -17.719 -27.370 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.122 -19.204 -29.337 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.617 -18.899 -27.687 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.028 -16.439 -28.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.504 -16.753 -29.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.480 -17.605 -31.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.248 -17.487 -31.467 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.396 -18.936 -30.884 1.00 0.00 H new ATOM 38 N SER A 2 19.251 -20.923 -28.034 1.00 0.00 N ATOM 39 CA SER A 2 19.529 -22.227 -27.441 1.00 0.00 C ATOM 40 C SER A 2 20.599 -22.963 -28.236 1.00 0.00 C ATOM 41 O SER A 2 20.718 -22.793 -29.449 1.00 0.00 O ATOM 42 CB SER A 2 18.254 -23.070 -27.387 1.00 0.00 C ATOM 43 OG SER A 2 18.543 -24.322 -26.778 1.00 0.00 O ATOM 0 H SER A 2 19.265 -20.911 -29.054 1.00 0.00 H new ATOM 0 HA SER A 2 19.894 -22.067 -26.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.483 -22.547 -26.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.863 -23.224 -28.393 1.00 0.00 H new ATOM 0 HG SER A 2 17.727 -24.864 -26.741 1.00 0.00 H new ATOM 49 N ASP A 3 21.376 -23.778 -27.536 1.00 0.00 N ATOM 50 CA ASP A 3 22.442 -24.538 -28.173 1.00 0.00 C ATOM 51 C ASP A 3 21.863 -25.482 -29.212 1.00 0.00 C ATOM 52 O ASP A 3 22.457 -25.686 -30.273 1.00 0.00 O ATOM 53 CB ASP A 3 23.222 -25.344 -27.134 1.00 0.00 C ATOM 54 CG ASP A 3 24.309 -24.480 -26.508 1.00 0.00 C ATOM 55 OD1 ASP A 3 24.661 -23.477 -27.107 1.00 0.00 O1- ATOM 56 OD2 ASP A 3 24.776 -24.833 -25.437 1.00 0.00 O ATOM 0 H ASP A 3 21.289 -23.929 -26.531 1.00 0.00 H new ATOM 0 HA ASP A 3 23.119 -23.835 -28.659 1.00 0.00 H new ATOM 0 HB2 ASP A 3 22.545 -25.707 -26.361 1.00 0.00 H new ATOM 0 HB3 ASP A 3 23.669 -26.221 -27.603 1.00 0.00 H new ATOM 61 N GLN A 4 20.716 -26.077 -28.909 1.00 0.00 N ATOM 62 CA GLN A 4 20.109 -27.013 -29.841 1.00 0.00 C ATOM 63 C GLN A 4 19.811 -26.346 -31.172 1.00 0.00 C ATOM 64 O GLN A 4 20.157 -26.898 -32.211 1.00 0.00 O ATOM 65 CB GLN A 4 18.789 -27.525 -29.254 1.00 0.00 C ATOM 66 CG GLN A 4 18.153 -28.568 -30.187 1.00 0.00 C ATOM 67 CD GLN A 4 19.048 -29.797 -30.271 1.00 0.00 C ATOM 68 OE1 GLN A 4 19.621 -30.221 -29.266 1.00 0.00 O ATOM 69 NE2 GLN A 4 19.213 -30.396 -31.418 1.00 0.00 N ATOM 0 H GLN A 4 20.197 -25.931 -28.043 1.00 0.00 H new ATOM 0 HA GLN A 4 20.809 -27.833 -30.002 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.967 -27.966 -28.273 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.102 -26.692 -29.108 1.00 0.00 H new ATOM 0 HG2 GLN A 4 17.167 -28.849 -29.816 1.00 0.00 H new ATOM 0 HG3 GLN A 4 18.010 -28.142 -31.180 1.00 0.00 H new ATOM 0 HE21 GLN A 4 18.738 -30.045 -32.250 1.00 0.00 H new ATOM 0 HE22 GLN A 4 19.817 -31.216 -31.483 1.00 0.00 H new ATOM 78 N GLU A 5 19.191 -25.164 -31.128 1.00 0.00 N ATOM 79 CA GLU A 5 18.846 -24.422 -32.345 1.00 0.00 C ATOM 80 C GLU A 5 17.947 -23.232 -32.013 1.00 0.00 C ATOM 81 O GLU A 5 18.372 -22.080 -32.088 1.00 0.00 O ATOM 82 CB GLU A 5 18.114 -25.334 -33.356 1.00 0.00 C ATOM 83 CG GLU A 5 17.745 -24.539 -34.608 1.00 0.00 C ATOM 84 CD GLU A 5 17.063 -25.462 -35.609 1.00 0.00 C ATOM 85 OE1 GLU A 5 17.165 -26.666 -35.439 1.00 0.00 O1- ATOM 86 OE2 GLU A 5 16.458 -24.952 -36.537 1.00 0.00 O ATOM 0 H GLU A 5 18.917 -24.699 -30.262 1.00 0.00 H new ATOM 0 HA GLU A 5 19.776 -24.065 -32.787 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.751 -26.177 -33.625 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.214 -25.747 -32.900 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.082 -23.714 -34.346 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.639 -24.101 -35.051 1.00 0.00 H new ATOM 93 N ALA A 6 16.695 -23.524 -31.662 1.00 0.00 N ATOM 94 CA ALA A 6 15.737 -22.471 -31.341 1.00 0.00 C ATOM 95 C ALA A 6 14.712 -22.956 -30.328 1.00 0.00 C ATOM 96 O ALA A 6 14.420 -24.149 -30.250 1.00 0.00 O ATOM 97 CB ALA A 6 15.019 -22.034 -32.611 1.00 0.00 C ATOM 0 H ALA A 6 16.325 -24.472 -31.594 1.00 0.00 H new ATOM 0 HA ALA A 6 16.282 -21.632 -30.909 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.303 -21.247 -32.372 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.747 -21.656 -33.329 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.492 -22.885 -33.042 1.00 0.00 H new ATOM 103 N LYS A 7 14.171 -22.027 -29.550 1.00 0.00 N ATOM 104 CA LYS A 7 13.182 -22.390 -28.544 1.00 0.00 C ATOM 105 C LYS A 7 11.799 -22.555 -29.175 1.00 0.00 C ATOM 106 O LYS A 7 11.468 -21.867 -30.140 1.00 0.00 O ATOM 107 CB LYS A 7 13.126 -21.318 -27.455 1.00 0.00 C ATOM 108 CG LYS A 7 14.481 -21.245 -26.762 1.00 0.00 C ATOM 109 CD LYS A 7 14.298 -20.744 -25.333 1.00 0.00 C ATOM 110 CE LYS A 7 14.188 -21.940 -24.387 1.00 0.00 C ATOM 111 NZ LYS A 7 13.483 -21.523 -23.146 1.00 0.00 N1+ ATOM 0 H LYS A 7 14.395 -21.033 -29.594 1.00 0.00 H new ATOM 0 HA LYS A 7 13.478 -23.341 -28.102 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.873 -20.351 -27.891 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.346 -21.556 -26.732 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.951 -22.228 -26.756 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.146 -20.577 -27.310 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.140 -20.115 -25.046 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.402 -20.128 -25.264 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.646 -22.752 -24.871 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.181 -22.319 -24.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.407 -22.335 -22.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.018 -20.761 -22.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.531 -21.181 -23.386 1.00 0.00 H new ATOM 125 N PRO A 8 10.980 -23.439 -28.649 1.00 0.00 N ATOM 126 CA PRO A 8 9.604 -23.669 -29.182 1.00 0.00 C ATOM 127 C PRO A 8 8.701 -22.451 -29.014 1.00 0.00 C ATOM 128 O PRO A 8 7.737 -22.272 -29.757 1.00 0.00 O ATOM 129 CB PRO A 8 9.151 -24.858 -28.502 1.00 0.00 C ATOM 130 CG PRO A 8 9.947 -25.024 -27.255 1.00 0.00 C ATOM 131 CD PRO A 8 11.267 -24.313 -27.499 1.00 0.00 C ATOM 0 HA PRO A 8 9.586 -23.817 -30.262 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.090 -24.778 -28.266 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.269 -25.730 -29.145 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.425 -24.594 -26.400 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.108 -26.079 -27.033 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.581 -23.739 -26.627 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.068 -25.018 -27.721 1.00 0.00 H new ATOM 139 N SER A 9 9.011 -21.625 -28.021 1.00 0.00 N ATOM 140 CA SER A 9 8.216 -20.433 -27.740 1.00 0.00 C ATOM 141 C SER A 9 6.772 -20.806 -27.386 1.00 0.00 C ATOM 142 O SER A 9 6.060 -20.029 -26.749 1.00 0.00 O ATOM 143 CB SER A 9 8.212 -19.514 -28.960 1.00 0.00 C ATOM 144 OG SER A 9 9.500 -19.528 -29.563 1.00 0.00 O ATOM 0 H SER A 9 9.807 -21.758 -27.397 1.00 0.00 H new ATOM 0 HA SER A 9 8.664 -19.920 -26.889 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.459 -19.844 -29.676 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.947 -18.499 -28.664 1.00 0.00 H new ATOM 0 HG SER A 9 9.500 -18.941 -30.347 1.00 0.00 H new ATOM 150 N THR A 10 6.350 -22.004 -27.792 1.00 0.00 N ATOM 151 CA THR A 10 5.003 -22.470 -27.505 1.00 0.00 C ATOM 152 C THR A 10 4.793 -22.606 -26.002 1.00 0.00 C ATOM 153 O THR A 10 3.762 -22.197 -25.470 1.00 0.00 O ATOM 154 CB THR A 10 4.771 -23.820 -28.185 1.00 0.00 C ATOM 155 OG1 THR A 10 4.914 -23.672 -29.591 1.00 0.00 O ATOM 156 CG2 THR A 10 3.362 -24.317 -27.866 1.00 0.00 C ATOM 0 H THR A 10 6.923 -22.664 -28.318 1.00 0.00 H new ATOM 0 HA THR A 10 4.290 -21.741 -27.890 1.00 0.00 H new ATOM 0 HB THR A 10 5.501 -24.541 -27.819 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.828 -23.387 -29.799 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.197 -25.279 -28.351 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.252 -24.430 -26.788 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.631 -23.596 -28.232 1.00 0.00 H new ATOM 164 N GLU A 11 5.776 -23.197 -25.327 1.00 0.00 N ATOM 165 CA GLU A 11 5.684 -23.394 -23.887 1.00 0.00 C ATOM 166 C GLU A 11 5.614 -22.051 -23.170 1.00 0.00 C ATOM 167 O GLU A 11 4.833 -21.876 -22.236 1.00 0.00 O ATOM 168 CB GLU A 11 6.899 -24.183 -23.389 1.00 0.00 C ATOM 169 CG GLU A 11 6.761 -24.444 -21.883 1.00 0.00 C ATOM 170 CD GLU A 11 7.947 -25.262 -21.383 1.00 0.00 C ATOM 171 OE1 GLU A 11 8.905 -25.396 -22.125 1.00 0.00 O ATOM 172 OE2 GLU A 11 7.878 -25.744 -20.264 1.00 0.00 O1- ATOM 0 H GLU A 11 6.636 -23.544 -25.751 1.00 0.00 H new ATOM 0 HA GLU A 11 4.776 -23.956 -23.670 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.977 -25.128 -23.927 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.814 -23.626 -23.589 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.709 -23.497 -21.345 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.831 -24.976 -21.682 1.00 0.00 H new ATOM 179 N ASP A 12 6.430 -21.103 -23.617 1.00 0.00 N ATOM 180 CA ASP A 12 6.444 -19.779 -23.007 1.00 0.00 C ATOM 181 C ASP A 12 5.494 -18.845 -23.746 1.00 0.00 C ATOM 182 O ASP A 12 5.802 -18.377 -24.843 1.00 0.00 O ATOM 183 CB ASP A 12 7.861 -19.204 -23.046 1.00 0.00 C ATOM 184 CG ASP A 12 7.897 -17.851 -22.343 1.00 0.00 C ATOM 185 OD1 ASP A 12 6.838 -17.364 -21.984 1.00 0.00 O1- ATOM 186 OD2 ASP A 12 8.983 -17.323 -22.173 1.00 0.00 O ATOM 0 H ASP A 12 7.083 -21.224 -24.391 1.00 0.00 H new ATOM 0 HA ASP A 12 6.117 -19.869 -21.971 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.555 -19.892 -22.563 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.189 -19.094 -24.080 1.00 0.00 H new ATOM 191 N LEU A 13 4.342 -18.567 -23.139 1.00 0.00 N ATOM 192 CA LEU A 13 3.360 -17.679 -23.748 1.00 0.00 C ATOM 193 C LEU A 13 3.232 -16.394 -22.941 1.00 0.00 C ATOM 194 O LEU A 13 3.018 -16.428 -21.729 1.00 0.00 O ATOM 195 CB LEU A 13 2.002 -18.383 -23.818 1.00 0.00 C ATOM 196 CG LEU A 13 2.124 -19.660 -24.655 1.00 0.00 C ATOM 197 CD1 LEU A 13 0.794 -20.411 -24.644 1.00 0.00 C ATOM 198 CD2 LEU A 13 2.493 -19.304 -26.100 1.00 0.00 C ATOM 0 H LEU A 13 4.069 -18.943 -22.231 1.00 0.00 H new ATOM 0 HA LEU A 13 3.692 -17.427 -24.755 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.656 -18.627 -22.814 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.259 -17.718 -24.258 1.00 0.00 H new ATOM 0 HG LEU A 13 2.904 -20.291 -24.228 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.884 -21.319 -25.240 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.533 -20.674 -23.619 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.014 -19.776 -25.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.578 -20.217 -26.689 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.718 -18.667 -26.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.446 -18.774 -26.112 1.00 0.00 H new ATOM 210 N GLY A 14 3.357 -15.262 -23.622 1.00 0.00 N ATOM 211 CA GLY A 14 3.249 -13.967 -22.965 1.00 0.00 C ATOM 212 C GLY A 14 4.544 -13.613 -22.244 1.00 0.00 C ATOM 213 O GLY A 14 5.498 -14.393 -22.243 1.00 0.00 O ATOM 0 H GLY A 14 3.533 -15.215 -24.626 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.017 -13.199 -23.703 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.424 -13.984 -22.252 1.00 0.00 H new ATOM 217 N ASP A 15 4.568 -12.441 -21.620 1.00 0.00 N ATOM 218 CA ASP A 15 5.746 -12.004 -20.883 1.00 0.00 C ATOM 219 C ASP A 15 5.341 -11.205 -19.649 1.00 0.00 C ATOM 220 O ASP A 15 5.023 -10.020 -19.746 1.00 0.00 O ATOM 221 CB ASP A 15 6.634 -11.145 -21.782 1.00 0.00 C ATOM 222 CG ASP A 15 7.913 -10.764 -21.047 1.00 0.00 C ATOM 223 OD1 ASP A 15 8.002 -11.049 -19.865 1.00 0.00 O1- ATOM 224 OD2 ASP A 15 8.786 -10.189 -21.677 1.00 0.00 O ATOM 0 H ASP A 15 3.791 -11.781 -21.610 1.00 0.00 H new ATOM 0 HA ASP A 15 6.300 -12.887 -20.563 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.878 -11.691 -22.693 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.097 -10.246 -22.084 1.00 0.00 H new ATOM 229 N LYS A 16 5.363 -11.855 -18.488 1.00 0.00 N ATOM 230 CA LYS A 16 5.006 -11.187 -17.242 1.00 0.00 C ATOM 231 C LYS A 16 6.065 -11.433 -16.174 1.00 0.00 C ATOM 232 O LYS A 16 6.637 -12.520 -16.093 1.00 0.00 O ATOM 233 CB LYS A 16 3.650 -11.702 -16.749 1.00 0.00 C ATOM 234 CG LYS A 16 2.556 -11.275 -17.726 1.00 0.00 C ATOM 235 CD LYS A 16 1.203 -11.800 -17.242 1.00 0.00 C ATOM 236 CE LYS A 16 0.107 -11.367 -18.218 1.00 0.00 C ATOM 237 NZ LYS A 16 -1.209 -11.888 -17.748 1.00 0.00 N1+ ATOM 0 H LYS A 16 5.622 -12.836 -18.385 1.00 0.00 H new ATOM 0 HA LYS A 16 4.945 -10.115 -17.430 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.671 -12.788 -16.663 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.439 -11.307 -15.755 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.529 -10.188 -17.805 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.772 -11.662 -18.722 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.229 -12.887 -17.167 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.988 -11.417 -16.244 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.076 -10.280 -18.288 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.324 -11.745 -19.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.955 -11.595 -18.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.175 -12.926 -17.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.416 -11.507 -16.803 1.00 0.00 H new ATOM 251 N LYS A 17 6.320 -10.420 -15.352 1.00 0.00 N ATOM 252 CA LYS A 17 7.310 -10.550 -14.288 1.00 0.00 C ATOM 253 C LYS A 17 6.911 -11.645 -13.306 1.00 0.00 C ATOM 254 O LYS A 17 7.736 -12.470 -12.914 1.00 0.00 O ATOM 255 CB LYS A 17 7.454 -9.216 -13.550 1.00 0.00 C ATOM 256 CG LYS A 17 7.911 -8.126 -14.523 1.00 0.00 C ATOM 257 CD LYS A 17 9.392 -8.318 -14.852 1.00 0.00 C ATOM 258 CE LYS A 17 9.865 -7.168 -15.740 1.00 0.00 C ATOM 259 NZ LYS A 17 11.315 -7.320 -16.023 1.00 0.00 N1+ ATOM 0 H LYS A 17 5.861 -9.510 -15.400 1.00 0.00 H new ATOM 0 HA LYS A 17 8.265 -10.823 -14.736 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.502 -8.936 -13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.175 -9.316 -12.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.317 -8.168 -15.436 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.751 -7.142 -14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.979 -8.349 -13.934 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.543 -9.271 -15.360 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.301 -7.160 -16.673 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.679 -6.214 -15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.635 -6.536 -16.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.846 -7.307 -15.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.481 -8.223 -16.511 1.00 0.00 H new ATOM 273 N GLU A 18 5.643 -11.641 -12.906 1.00 0.00 N ATOM 274 CA GLU A 18 5.149 -12.635 -11.964 1.00 0.00 C ATOM 275 C GLU A 18 6.083 -12.745 -10.763 1.00 0.00 C ATOM 276 O GLU A 18 6.197 -13.806 -10.150 1.00 0.00 O ATOM 277 CB GLU A 18 5.039 -13.998 -12.648 1.00 0.00 C ATOM 278 CG GLU A 18 3.976 -13.930 -13.744 1.00 0.00 C ATOM 279 CD GLU A 18 2.606 -13.658 -13.128 1.00 0.00 C ATOM 280 OE1 GLU A 18 2.451 -13.906 -11.944 1.00 0.00 O ATOM 281 OE2 GLU A 18 1.734 -13.207 -13.851 1.00 0.00 O1- ATOM 0 H GLU A 18 4.945 -10.966 -13.217 1.00 0.00 H new ATOM 0 HA GLU A 18 4.164 -12.320 -11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.001 -14.282 -13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.776 -14.764 -11.918 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.226 -13.144 -14.456 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.954 -14.868 -14.299 1.00 0.00 H new ATOM 288 N GLY A 19 6.745 -11.639 -10.436 1.00 0.00 N ATOM 289 CA GLY A 19 7.669 -11.610 -9.305 1.00 0.00 C ATOM 290 C GLY A 19 7.224 -10.593 -8.260 1.00 0.00 C ATOM 291 O GLY A 19 6.909 -10.951 -7.125 1.00 0.00 O ATOM 0 H GLY A 19 6.660 -10.754 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.726 -12.600 -8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.671 -11.361 -9.656 1.00 0.00 H new ATOM 295 N GLU A 20 7.212 -9.323 -8.648 1.00 0.00 N ATOM 296 CA GLU A 20 6.814 -8.264 -7.734 1.00 0.00 C ATOM 297 C GLU A 20 5.360 -8.455 -7.299 1.00 0.00 C ATOM 298 O GLU A 20 5.020 -8.255 -6.133 1.00 0.00 O ATOM 299 CB GLU A 20 6.973 -6.897 -8.413 1.00 0.00 C ATOM 300 CG GLU A 20 6.579 -5.771 -7.446 1.00 0.00 C ATOM 301 CD GLU A 20 7.541 -5.751 -6.264 1.00 0.00 C ATOM 302 OE1 GLU A 20 8.627 -6.290 -6.402 1.00 0.00 O ATOM 303 OE2 GLU A 20 7.180 -5.199 -5.239 1.00 0.00 O1- ATOM 0 H GLU A 20 7.471 -9.005 -9.582 1.00 0.00 H new ATOM 0 HA GLU A 20 7.456 -8.306 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.005 -6.762 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.350 -6.853 -9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.601 -4.811 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.558 -5.921 -7.094 1.00 0.00 H new ATOM 310 N TYR A 21 4.507 -8.832 -8.254 1.00 0.00 N ATOM 311 CA TYR A 21 3.081 -9.036 -7.972 1.00 0.00 C ATOM 312 C TYR A 21 2.815 -10.503 -7.658 1.00 0.00 C ATOM 313 O TYR A 21 3.580 -11.373 -8.072 1.00 0.00 O ATOM 314 CB TYR A 21 2.233 -8.583 -9.156 1.00 0.00 C ATOM 315 CG TYR A 21 2.443 -7.103 -9.382 1.00 0.00 C ATOM 316 CD1 TYR A 21 1.635 -6.161 -8.727 1.00 0.00 C ATOM 317 CD2 TYR A 21 3.447 -6.672 -10.261 1.00 0.00 C ATOM 318 CE1 TYR A 21 1.831 -4.790 -8.957 1.00 0.00 C ATOM 319 CE2 TYR A 21 3.642 -5.306 -10.486 1.00 0.00 C ATOM 320 CZ TYR A 21 2.836 -4.366 -9.835 1.00 0.00 C ATOM 321 OH TYR A 21 3.028 -3.019 -10.061 1.00 0.00 O ATOM 0 H TYR A 21 4.775 -9.002 -9.224 1.00 0.00 H new ATOM 0 HA TYR A 21 2.807 -8.436 -7.104 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.508 -9.142 -10.050 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.180 -8.788 -8.964 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.863 -6.490 -8.047 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.070 -7.396 -10.765 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.207 -4.063 -8.457 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.416 -4.976 -11.163 1.00 0.00 H new ATOM 0 HH TYR A 21 3.765 -2.895 -10.695 1.00 0.00 H new ATOM 331 N ILE A 22 1.744 -10.785 -6.908 1.00 0.00 N ATOM 332 CA ILE A 22 1.416 -12.155 -6.532 1.00 0.00 C ATOM 333 C ILE A 22 -0.059 -12.397 -6.773 1.00 0.00 C ATOM 334 O ILE A 22 -0.810 -11.450 -6.976 1.00 0.00 O ATOM 335 CB ILE A 22 1.739 -12.386 -5.053 1.00 0.00 C ATOM 336 CG1 ILE A 22 0.836 -11.518 -4.154 1.00 0.00 C ATOM 337 CG2 ILE A 22 3.202 -12.022 -4.809 1.00 0.00 C ATOM 338 CD1 ILE A 22 1.132 -11.818 -2.694 1.00 0.00 C ATOM 0 H ILE A 22 1.095 -10.083 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 22 2.007 -12.845 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 22 1.562 -13.433 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.007 -10.462 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.213 -11.719 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.446 -12.182 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.841 -12.649 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.364 -10.975 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.493 -11.204 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.938 -12.872 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.177 -11.594 -2.481 1.00 0.00 H new ATOM 350 N LYS A 23 -0.483 -13.650 -6.715 1.00 0.00 N ATOM 351 CA LYS A 23 -1.894 -13.959 -6.905 1.00 0.00 C ATOM 352 C LYS A 23 -2.565 -14.242 -5.578 1.00 0.00 C ATOM 353 O LYS A 23 -2.533 -15.376 -5.095 1.00 0.00 O ATOM 354 CB LYS A 23 -2.025 -15.174 -7.825 1.00 0.00 C ATOM 355 CG LYS A 23 -3.494 -15.452 -8.141 1.00 0.00 C ATOM 356 CD LYS A 23 -3.580 -16.598 -9.147 1.00 0.00 C ATOM 357 CE LYS A 23 -5.043 -16.861 -9.471 1.00 0.00 C ATOM 358 NZ LYS A 23 -5.628 -15.656 -10.124 1.00 0.00 N1+ ATOM 0 H LYS A 23 0.116 -14.457 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.386 -13.099 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.475 -14.998 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.578 -16.047 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.032 -15.711 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.967 -14.558 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.033 -16.344 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.118 -17.496 -8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.132 -17.725 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.592 -17.097 -8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.497 -15.922 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.852 -14.943 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.943 -15.260 -10.799 1.00 0.00 H new ATOM 372 N LEU A 24 -3.203 -13.215 -5.002 1.00 0.00 N ATOM 373 CA LEU A 24 -3.908 -13.369 -3.743 1.00 0.00 C ATOM 374 C LEU A 24 -5.408 -13.244 -3.949 1.00 0.00 C ATOM 375 O LEU A 24 -5.894 -12.278 -4.541 1.00 0.00 O ATOM 376 CB LEU A 24 -3.408 -12.351 -2.705 1.00 0.00 C ATOM 377 CG LEU A 24 -4.272 -12.428 -1.438 1.00 0.00 C ATOM 378 CD1 LEU A 24 -4.271 -13.839 -0.882 1.00 0.00 C ATOM 379 CD2 LEU A 24 -3.673 -11.518 -0.372 1.00 0.00 C ATOM 0 H LEU A 24 -3.240 -12.274 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.701 -14.367 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.366 -12.553 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.447 -11.345 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.288 -12.127 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.888 -13.877 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.674 -14.524 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.251 -14.132 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.281 -11.567 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.658 -11.843 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.651 -10.492 -0.740 1.00 0.00 H new ATOM 391 N LYS A 25 -6.126 -14.250 -3.476 1.00 0.00 N ATOM 392 CA LYS A 25 -7.574 -14.307 -3.616 1.00 0.00 C ATOM 393 C LYS A 25 -8.255 -14.868 -2.377 1.00 0.00 C ATOM 394 O LYS A 25 -7.611 -15.437 -1.496 1.00 0.00 O ATOM 395 CB LYS A 25 -7.925 -15.121 -4.856 1.00 0.00 C ATOM 396 CG LYS A 25 -7.032 -16.360 -4.938 1.00 0.00 C ATOM 397 CD LYS A 25 -7.349 -17.122 -6.219 1.00 0.00 C ATOM 398 CE LYS A 25 -6.389 -18.302 -6.346 1.00 0.00 C ATOM 399 NZ LYS A 25 -6.689 -19.065 -7.589 1.00 0.00 N1+ ATOM 0 H LYS A 25 -5.724 -15.049 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.947 -13.289 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.973 -15.419 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.797 -14.511 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.982 -16.068 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.196 -16.999 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.380 -17.476 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.253 -16.464 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.360 -17.944 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.482 -18.953 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.085 -19.994 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.378 -18.538 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.814 -19.197 -8.135 1.00 0.00 H new ATOM 413 N VAL A 26 -9.571 -14.700 -2.332 1.00 0.00 N ATOM 414 CA VAL A 26 -10.346 -15.203 -1.203 1.00 0.00 C ATOM 415 C VAL A 26 -11.602 -15.926 -1.676 1.00 0.00 C ATOM 416 O VAL A 26 -12.138 -15.627 -2.745 1.00 0.00 O ATOM 417 CB VAL A 26 -10.741 -14.038 -0.294 1.00 0.00 C ATOM 418 CG1 VAL A 26 -9.473 -13.345 0.212 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.593 -13.040 -1.078 1.00 0.00 C ATOM 0 H VAL A 26 -10.118 -14.227 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.728 -15.913 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.317 -14.413 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.747 -12.513 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.868 -14.058 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.900 -12.970 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.873 -12.211 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.021 -12.660 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.493 -13.536 -1.441 1.00 0.00 H new ATOM 429 N ILE A 27 -12.065 -16.872 -0.868 1.00 0.00 N ATOM 430 CA ILE A 27 -13.260 -17.632 -1.199 1.00 0.00 C ATOM 431 C ILE A 27 -14.054 -18.010 0.062 1.00 0.00 C ATOM 432 O ILE A 27 -13.837 -19.057 0.665 1.00 0.00 O ATOM 433 CB ILE A 27 -12.865 -18.888 -1.992 1.00 0.00 C ATOM 434 CG1 ILE A 27 -11.725 -19.630 -1.267 1.00 0.00 C ATOM 435 CG2 ILE A 27 -12.411 -18.502 -3.404 1.00 0.00 C ATOM 436 CD1 ILE A 27 -11.480 -20.977 -1.940 1.00 0.00 C ATOM 0 H ILE A 27 -11.631 -17.129 0.019 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.909 -17.008 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.733 -19.543 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.815 -19.030 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.983 -19.778 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.134 -19.400 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.225 -17.995 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.551 -17.836 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.674 -21.499 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.389 -21.577 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.202 -20.818 -2.982 1.00 0.00 H new ATOM 448 N GLY A 28 -14.989 -17.167 0.456 1.00 0.00 N ATOM 449 CA GLY A 28 -15.795 -17.453 1.633 1.00 0.00 C ATOM 450 C GLY A 28 -16.744 -18.609 1.364 1.00 0.00 C ATOM 451 O GLY A 28 -16.994 -18.974 0.214 1.00 0.00 O ATOM 0 H GLY A 28 -15.210 -16.288 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.146 -17.696 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.364 -16.567 1.915 1.00 0.00 H new ATOM 455 N GLN A 29 -17.259 -19.181 2.439 1.00 0.00 N ATOM 456 CA GLN A 29 -18.181 -20.302 2.341 1.00 0.00 C ATOM 457 C GLN A 29 -19.445 -19.883 1.607 1.00 0.00 C ATOM 458 O GLN A 29 -20.032 -20.672 0.868 1.00 0.00 O ATOM 459 CB GLN A 29 -18.547 -20.825 3.729 1.00 0.00 C ATOM 460 CG GLN A 29 -19.425 -22.074 3.591 1.00 0.00 C ATOM 461 CD GLN A 29 -19.729 -22.654 4.967 1.00 0.00 C ATOM 462 OE1 GLN A 29 -19.083 -22.293 5.950 1.00 0.00 O ATOM 463 NE2 GLN A 29 -20.674 -23.545 5.098 1.00 0.00 N ATOM 0 H GLN A 29 -17.054 -18.887 3.394 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.687 -21.098 1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.643 -21.063 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -19.077 -20.056 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.354 -21.820 3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.918 -22.819 2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.209 -23.844 4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -20.877 -23.942 6.015 1.00 0.00 H new ATOM 472 N ASP A 30 -19.891 -18.654 1.849 1.00 0.00 N ATOM 473 CA ASP A 30 -21.127 -18.189 1.240 1.00 0.00 C ATOM 474 C ASP A 30 -21.121 -18.385 -0.273 1.00 0.00 C ATOM 475 O ASP A 30 -22.036 -19.009 -0.801 1.00 0.00 O ATOM 476 CB ASP A 30 -21.285 -16.693 1.518 1.00 0.00 C ATOM 477 CG ASP A 30 -20.061 -15.926 1.007 1.00 0.00 C ATOM 478 OD1 ASP A 30 -19.029 -16.547 0.813 1.00 0.00 O1- ATOM 479 OD2 ASP A 30 -20.165 -14.720 0.854 1.00 0.00 O ATOM 0 H ASP A 30 -19.424 -17.976 2.451 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.946 -18.767 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.186 -16.319 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.407 -16.526 2.588 1.00 0.00 H new ATOM 484 N SER A 31 -20.073 -17.893 -0.940 1.00 0.00 N ATOM 485 CA SER A 31 -19.934 -18.037 -2.396 1.00 0.00 C ATOM 486 C SER A 31 -19.190 -16.845 -3.001 1.00 0.00 C ATOM 487 O SER A 31 -19.742 -16.108 -3.818 1.00 0.00 O ATOM 488 CB SER A 31 -21.307 -18.158 -3.080 1.00 0.00 C ATOM 489 OG SER A 31 -21.728 -19.514 -3.049 1.00 0.00 O ATOM 0 H SER A 31 -19.305 -17.390 -0.495 1.00 0.00 H new ATOM 0 HA SER A 31 -19.362 -18.949 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.036 -17.527 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.245 -17.808 -4.110 1.00 0.00 H new ATOM 0 HG SER A 31 -22.063 -19.732 -2.154 1.00 0.00 H new ATOM 495 N SER A 32 -17.942 -16.654 -2.592 1.00 0.00 N ATOM 496 CA SER A 32 -17.146 -15.545 -3.107 1.00 0.00 C ATOM 497 C SER A 32 -16.018 -16.067 -3.988 1.00 0.00 C ATOM 498 O SER A 32 -15.360 -17.050 -3.655 1.00 0.00 O ATOM 499 CB SER A 32 -16.554 -14.748 -1.945 1.00 0.00 C ATOM 500 OG SER A 32 -17.610 -14.178 -1.178 1.00 0.00 O ATOM 0 H SER A 32 -17.462 -17.245 -1.913 1.00 0.00 H new ATOM 0 HA SER A 32 -17.793 -14.899 -3.701 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.943 -15.397 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.900 -13.963 -2.324 1.00 0.00 H new ATOM 0 HG SER A 32 -17.233 -13.668 -0.431 1.00 0.00 H new ATOM 506 N GLU A 33 -15.794 -15.398 -5.115 1.00 0.00 N ATOM 507 CA GLU A 33 -14.730 -15.802 -6.025 1.00 0.00 C ATOM 508 C GLU A 33 -14.053 -14.565 -6.598 1.00 0.00 C ATOM 509 O GLU A 33 -14.603 -13.914 -7.483 1.00 0.00 O ATOM 510 CB GLU A 33 -15.319 -16.640 -7.163 1.00 0.00 C ATOM 511 CG GLU A 33 -14.195 -17.123 -8.081 1.00 0.00 C ATOM 512 CD GLU A 33 -14.765 -18.011 -9.181 1.00 0.00 C ATOM 513 OE1 GLU A 33 -15.923 -18.378 -9.076 1.00 0.00 O1- ATOM 514 OE2 GLU A 33 -14.036 -18.309 -10.112 1.00 0.00 O ATOM 0 H GLU A 33 -16.328 -14.583 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.995 -16.397 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.862 -17.493 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.036 -16.047 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.682 -16.268 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.455 -17.676 -7.503 1.00 0.00 H new ATOM 521 N ILE A 34 -12.855 -14.261 -6.103 1.00 0.00 N ATOM 522 CA ILE A 34 -12.117 -13.094 -6.582 1.00 0.00 C ATOM 523 C ILE A 34 -10.744 -13.510 -7.080 1.00 0.00 C ATOM 524 O ILE A 34 -10.013 -14.193 -6.374 1.00 0.00 O ATOM 525 CB ILE A 34 -11.961 -12.089 -5.443 1.00 0.00 C ATOM 526 CG1 ILE A 34 -13.351 -11.727 -4.901 1.00 0.00 C ATOM 527 CG2 ILE A 34 -11.261 -10.823 -5.951 1.00 0.00 C ATOM 528 CD1 ILE A 34 -14.241 -11.111 -5.997 1.00 0.00 C ATOM 0 H ILE A 34 -12.379 -14.799 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.669 -12.638 -7.403 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.358 -12.531 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.831 -12.620 -4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.249 -11.023 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.154 -10.112 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.275 -11.082 -6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.855 -10.373 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.217 -10.867 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.773 -10.204 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.364 -11.826 -6.811 1.00 0.00 H new ATOM 540 N HIS A 35 -10.394 -13.098 -8.295 1.00 0.00 N ATOM 541 CA HIS A 35 -9.090 -13.445 -8.852 1.00 0.00 C ATOM 542 C HIS A 35 -8.348 -12.205 -9.343 1.00 0.00 C ATOM 543 O HIS A 35 -8.673 -11.662 -10.399 1.00 0.00 O ATOM 544 CB HIS A 35 -9.282 -14.408 -10.018 1.00 0.00 C ATOM 545 CG HIS A 35 -9.955 -15.659 -9.527 1.00 0.00 C ATOM 546 ND1 HIS A 35 -9.291 -16.594 -8.749 1.00 0.00 N ATOM 547 CD2 HIS A 35 -11.229 -16.143 -9.688 1.00 0.00 C ATOM 548 CE1 HIS A 35 -10.159 -17.584 -8.476 1.00 0.00 C ATOM 549 NE2 HIS A 35 -11.355 -17.360 -9.024 1.00 0.00 N ATOM 0 H HIS A 35 -10.984 -12.532 -8.905 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.496 -13.911 -8.066 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.885 -13.939 -10.796 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.318 -14.652 -10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.014 -15.654 -10.245 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.918 -18.455 -7.885 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.183 -17.953 -8.968 1.00 0.00 H new ATOM 557 N PHE A 36 -7.348 -11.757 -8.589 1.00 0.00 N ATOM 558 CA PHE A 36 -6.578 -10.590 -8.989 1.00 0.00 C ATOM 559 C PHE A 36 -5.212 -10.633 -8.323 1.00 0.00 C ATOM 560 O PHE A 36 -5.016 -11.350 -7.340 1.00 0.00 O ATOM 561 CB PHE A 36 -7.330 -9.314 -8.592 1.00 0.00 C ATOM 562 CG PHE A 36 -7.303 -9.133 -7.096 1.00 0.00 C ATOM 563 CD1 PHE A 36 -7.940 -10.059 -6.262 1.00 0.00 C ATOM 564 CD2 PHE A 36 -6.613 -8.051 -6.536 1.00 0.00 C ATOM 565 CE1 PHE A 36 -7.904 -9.893 -4.873 1.00 0.00 C ATOM 566 CE2 PHE A 36 -6.579 -7.881 -5.152 1.00 0.00 C ATOM 567 CZ PHE A 36 -7.222 -8.809 -4.318 1.00 0.00 C ATOM 0 H PHE A 36 -7.056 -12.181 -7.708 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.443 -10.592 -10.071 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.876 -8.450 -9.078 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.362 -9.369 -8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.460 -10.903 -6.691 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.106 -7.346 -7.178 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.404 -10.603 -4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.059 -7.037 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.189 -8.684 -3.246 1.00 0.00 H new ATOM 577 N LYS A 37 -4.279 -9.858 -8.853 1.00 0.00 N ATOM 578 CA LYS A 37 -2.929 -9.803 -8.298 1.00 0.00 C ATOM 579 C LYS A 37 -2.620 -8.475 -7.605 1.00 0.00 C ATOM 580 O LYS A 37 -3.017 -7.407 -8.072 1.00 0.00 O ATOM 581 CB LYS A 37 -1.898 -10.013 -9.404 1.00 0.00 C ATOM 582 CG LYS A 37 -2.014 -11.413 -10.015 1.00 0.00 C ATOM 583 CD LYS A 37 -1.007 -11.533 -11.155 1.00 0.00 C ATOM 584 CE LYS A 37 -1.155 -12.891 -11.814 1.00 0.00 C ATOM 585 NZ LYS A 37 -0.741 -13.950 -10.852 1.00 0.00 N1+ ATOM 0 H LYS A 37 -4.428 -9.259 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.875 -10.596 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.038 -9.262 -10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.895 -9.872 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.820 -12.173 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.025 -11.582 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.172 -10.741 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.007 -11.409 -10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.188 -13.048 -12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.542 -12.941 -12.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.009 -14.531 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.385 -13.508 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.558 -14.552 -10.625 1.00 0.00 H new ATOM 599 N VAL A 38 -1.925 -8.565 -6.467 1.00 0.00 N ATOM 600 CA VAL A 38 -1.570 -7.382 -5.686 1.00 0.00 C ATOM 601 C VAL A 38 -0.074 -7.375 -5.401 1.00 0.00 C ATOM 602 O VAL A 38 0.538 -8.419 -5.203 1.00 0.00 O ATOM 603 CB VAL A 38 -2.323 -7.373 -4.345 1.00 0.00 C ATOM 604 CG1 VAL A 38 -1.731 -8.431 -3.411 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.200 -5.988 -3.707 1.00 0.00 C ATOM 0 H VAL A 38 -1.598 -9.445 -6.068 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.846 -6.500 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.375 -7.602 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.268 -8.420 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.825 -9.415 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.678 -8.212 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.732 -5.977 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.148 -5.758 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.632 -5.241 -4.373 1.00 0.00 H new ATOM 615 N LYS A 39 0.501 -6.184 -5.388 1.00 0.00 N ATOM 616 CA LYS A 39 1.929 -6.022 -5.131 1.00 0.00 C ATOM 617 C LYS A 39 2.290 -6.466 -3.726 1.00 0.00 C ATOM 618 O LYS A 39 1.547 -6.221 -2.774 1.00 0.00 O ATOM 619 CB LYS A 39 2.310 -4.562 -5.341 1.00 0.00 C ATOM 620 CG LYS A 39 1.631 -3.704 -4.278 1.00 0.00 C ATOM 621 CD LYS A 39 1.966 -2.241 -4.527 1.00 0.00 C ATOM 622 CE LYS A 39 1.280 -1.378 -3.472 1.00 0.00 C ATOM 623 NZ LYS A 39 1.621 0.040 -3.723 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.002 -5.310 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 39 2.485 -6.651 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.392 -4.445 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.008 -4.235 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.552 -3.853 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.966 -4.002 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.045 -2.092 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.638 -1.946 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.200 -1.520 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.603 -1.673 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.159 0.640 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.652 0.165 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.292 0.314 -4.671 1.00 0.00 H new ATOM 637 N MET A 40 3.441 -7.125 -3.607 1.00 0.00 N ATOM 638 CA MET A 40 3.900 -7.604 -2.311 1.00 0.00 C ATOM 639 C MET A 40 5.012 -6.701 -1.775 1.00 0.00 C ATOM 640 O MET A 40 6.199 -6.998 -1.922 1.00 0.00 O ATOM 641 CB MET A 40 4.398 -9.057 -2.429 1.00 0.00 C ATOM 642 CG MET A 40 4.904 -9.540 -1.069 1.00 0.00 C ATOM 643 SD MET A 40 3.571 -9.411 0.145 1.00 0.00 S ATOM 644 CE MET A 40 3.216 -11.179 0.269 1.00 0.00 C ATOM 0 H MET A 40 4.065 -7.336 -4.385 1.00 0.00 H new ATOM 0 HA MET A 40 3.065 -7.577 -1.611 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.591 -9.701 -2.777 1.00 0.00 H new ATOM 0 HB3 MET A 40 5.197 -9.119 -3.168 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.247 -10.572 -1.141 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.759 -8.942 -0.753 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.155 -11.324 0.473 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.475 -11.669 -0.670 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.803 -11.612 1.079 1.00 0.00 H new ATOM 654 N THR A 41 4.615 -5.594 -1.157 1.00 0.00 N ATOM 655 CA THR A 41 5.585 -4.653 -0.597 1.00 0.00 C ATOM 656 C THR A 41 5.001 -3.928 0.609 1.00 0.00 C ATOM 657 O THR A 41 5.649 -3.075 1.218 1.00 0.00 O ATOM 658 CB THR A 41 6.003 -3.646 -1.665 1.00 0.00 C ATOM 659 OG1 THR A 41 4.889 -2.833 -2.003 1.00 0.00 O ATOM 660 CG2 THR A 41 6.484 -4.393 -2.908 1.00 0.00 C ATOM 0 H THR A 41 3.639 -5.326 -1.031 1.00 0.00 H new ATOM 0 HA THR A 41 6.461 -5.211 -0.267 1.00 0.00 H new ATOM 0 HB THR A 41 6.810 -3.021 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.154 -2.184 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.783 -3.675 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.336 -5.021 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.677 -5.017 -3.293 1.00 0.00 H new ATOM 668 N THR A 42 3.778 -4.296 0.954 1.00 0.00 N ATOM 669 CA THR A 42 3.125 -3.697 2.109 1.00 0.00 C ATOM 670 C THR A 42 2.267 -4.704 2.875 1.00 0.00 C ATOM 671 O THR A 42 1.780 -5.673 2.294 1.00 0.00 O ATOM 672 CB THR A 42 2.245 -2.544 1.644 1.00 0.00 C ATOM 673 OG1 THR A 42 1.203 -3.057 0.827 1.00 0.00 O ATOM 674 CG2 THR A 42 3.082 -1.559 0.825 1.00 0.00 C ATOM 0 H THR A 42 3.223 -4.995 0.460 1.00 0.00 H new ATOM 0 HA THR A 42 3.905 -3.343 2.784 1.00 0.00 H new ATOM 0 HB THR A 42 1.824 -2.033 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.729 -2.315 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.451 -0.734 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.893 -1.170 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.499 -2.070 -0.043 1.00 0.00 H new ATOM 682 N HIS A 43 2.112 -4.468 4.181 1.00 0.00 N ATOM 683 CA HIS A 43 1.325 -5.364 5.031 1.00 0.00 C ATOM 684 C HIS A 43 0.124 -5.876 4.247 1.00 0.00 C ATOM 685 O HIS A 43 -0.510 -5.129 3.502 1.00 0.00 O ATOM 686 CB HIS A 43 0.834 -4.611 6.271 1.00 0.00 C ATOM 687 CG HIS A 43 1.945 -3.750 6.807 1.00 0.00 C ATOM 688 ND1 HIS A 43 2.867 -4.234 7.723 1.00 0.00 N ATOM 689 CD2 HIS A 43 2.301 -2.446 6.571 1.00 0.00 C ATOM 690 CE1 HIS A 43 3.722 -3.235 8.003 1.00 0.00 C ATOM 691 NE2 HIS A 43 3.424 -2.122 7.328 1.00 0.00 N ATOM 0 H HIS A 43 2.518 -3.670 4.669 1.00 0.00 H new ATOM 0 HA HIS A 43 1.949 -6.201 5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.028 -3.994 6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.507 -5.318 7.033 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.788 -1.773 5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.550 -3.322 8.691 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.913 -1.228 7.360 1.00 0.00 H new ATOM 699 N LEU A 44 -0.161 -7.161 4.399 1.00 0.00 N ATOM 700 CA LEU A 44 -1.272 -7.779 3.681 1.00 0.00 C ATOM 701 C LEU A 44 -2.546 -6.956 3.861 1.00 0.00 C ATOM 702 O LEU A 44 -3.571 -7.221 3.232 1.00 0.00 O ATOM 703 CB LEU A 44 -1.490 -9.208 4.203 1.00 0.00 C ATOM 704 CG LEU A 44 -2.899 -9.358 4.815 1.00 0.00 C ATOM 705 CD1 LEU A 44 -3.146 -10.817 5.186 1.00 0.00 C ATOM 706 CD2 LEU A 44 -3.025 -8.491 6.069 1.00 0.00 C ATOM 0 H LEU A 44 0.356 -7.795 5.008 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.031 -7.815 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.365 -9.921 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.735 -9.445 4.953 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.636 -9.035 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.142 -10.919 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.073 -11.437 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.400 -11.139 5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.023 -8.605 6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.282 -8.803 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.859 -7.446 5.807 1.00 0.00 H new ATOM 718 N LYS A 45 -2.475 -5.981 4.760 1.00 0.00 N ATOM 719 CA LYS A 45 -3.620 -5.145 5.065 1.00 0.00 C ATOM 720 C LYS A 45 -4.064 -4.374 3.840 1.00 0.00 C ATOM 721 O LYS A 45 -5.254 -4.243 3.566 1.00 0.00 O ATOM 722 CB LYS A 45 -3.272 -4.165 6.181 1.00 0.00 C ATOM 723 CG LYS A 45 -4.528 -3.377 6.573 1.00 0.00 C ATOM 724 CD LYS A 45 -4.217 -2.459 7.750 1.00 0.00 C ATOM 725 CE LYS A 45 -5.482 -1.699 8.165 1.00 0.00 C ATOM 726 NZ LYS A 45 -5.960 -0.868 7.025 1.00 0.00 N1+ ATOM 0 H LYS A 45 -1.633 -5.753 5.289 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.435 -5.792 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.882 -4.703 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.489 -3.483 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.879 -2.789 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.331 -4.064 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.841 -3.044 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.432 -1.754 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.258 -2.402 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.272 -1.066 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.031 0.125 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.288 -0.943 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.895 -1.205 6.718 1.00 0.00 H new ATOM 740 N LYS A 46 -3.098 -3.868 3.101 1.00 0.00 N ATOM 741 CA LYS A 46 -3.386 -3.099 1.907 1.00 0.00 C ATOM 742 C LYS A 46 -4.026 -3.967 0.860 1.00 0.00 C ATOM 743 O LYS A 46 -4.185 -3.542 -0.282 1.00 0.00 O ATOM 744 CB LYS A 46 -2.102 -2.494 1.350 1.00 0.00 C ATOM 745 CG LYS A 46 -1.456 -1.595 2.414 1.00 0.00 C ATOM 746 CD LYS A 46 -2.140 -0.219 2.495 1.00 0.00 C ATOM 747 CE LYS A 46 -1.617 0.688 1.374 1.00 0.00 C ATOM 748 NZ LYS A 46 -2.247 2.028 1.498 1.00 0.00 N1+ ATOM 0 H LYS A 46 -2.105 -3.976 3.306 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.077 -2.300 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.411 -3.285 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.320 -1.915 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.511 -2.086 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.399 -1.462 2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.220 -0.334 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.945 0.238 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.532 0.775 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.846 0.253 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.896 2.648 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.280 1.935 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.007 2.441 2.422 1.00 0.00 H new ATOM 762 N LEU A 47 -4.429 -5.168 1.257 1.00 0.00 N ATOM 763 CA LEU A 47 -5.096 -6.056 0.338 1.00 0.00 C ATOM 764 C LEU A 47 -6.503 -6.357 0.816 1.00 0.00 C ATOM 765 O LEU A 47 -7.476 -6.054 0.128 1.00 0.00 O ATOM 766 CB LEU A 47 -4.294 -7.360 0.176 1.00 0.00 C ATOM 767 CG LEU A 47 -4.862 -8.236 -0.949 1.00 0.00 C ATOM 768 CD1 LEU A 47 -6.202 -8.865 -0.543 1.00 0.00 C ATOM 769 CD2 LEU A 47 -5.051 -7.436 -2.224 1.00 0.00 C ATOM 0 H LEU A 47 -4.304 -5.538 2.199 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.160 -5.564 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.252 -7.123 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.309 -7.916 1.114 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.138 -9.030 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.578 -9.479 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.059 -9.486 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.921 -8.077 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.454 -8.083 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.744 -6.615 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.091 -7.034 -2.547 1.00 0.00 H new ATOM 781 N LYS A 48 -6.613 -6.961 1.994 1.00 0.00 N ATOM 782 CA LYS A 48 -7.913 -7.298 2.542 1.00 0.00 C ATOM 783 C LYS A 48 -8.684 -6.050 2.945 1.00 0.00 C ATOM 784 O LYS A 48 -9.905 -6.072 3.046 1.00 0.00 O ATOM 785 CB LYS A 48 -7.738 -8.219 3.748 1.00 0.00 C ATOM 786 CG LYS A 48 -6.871 -7.525 4.819 1.00 0.00 C ATOM 787 CD LYS A 48 -7.754 -6.873 5.896 1.00 0.00 C ATOM 788 CE LYS A 48 -6.914 -6.569 7.141 1.00 0.00 C ATOM 789 NZ LYS A 48 -7.289 -5.232 7.671 1.00 0.00 N1+ ATOM 0 H LYS A 48 -5.821 -7.224 2.581 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.488 -7.811 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.712 -8.474 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.270 -9.153 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.203 -8.253 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.242 -6.768 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.195 -5.954 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.578 -7.538 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.078 -7.333 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.853 -6.590 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.574 -4.918 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.339 -4.550 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.216 -5.291 8.138 1.00 0.00 H new ATOM 803 N GLU A 49 -7.964 -4.968 3.176 1.00 0.00 N ATOM 804 CA GLU A 49 -8.597 -3.720 3.574 1.00 0.00 C ATOM 805 C GLU A 49 -9.529 -3.222 2.470 1.00 0.00 C ATOM 806 O GLU A 49 -10.642 -2.779 2.739 1.00 0.00 O ATOM 807 CB GLU A 49 -7.519 -2.660 3.851 1.00 0.00 C ATOM 808 CG GLU A 49 -8.170 -1.364 4.329 1.00 0.00 C ATOM 809 CD GLU A 49 -7.097 -0.312 4.606 1.00 0.00 C ATOM 810 OE1 GLU A 49 -5.949 -0.558 4.269 1.00 0.00 O1- ATOM 811 OE2 GLU A 49 -7.439 0.727 5.149 1.00 0.00 O ATOM 0 H GLU A 49 -6.948 -4.925 3.096 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.181 -3.895 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.823 -3.026 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.940 -2.474 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.865 -0.996 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.750 -1.550 5.233 1.00 0.00 H new ATOM 818 N SER A 50 -9.081 -3.336 1.229 1.00 0.00 N ATOM 819 CA SER A 50 -9.913 -2.924 0.099 1.00 0.00 C ATOM 820 C SER A 50 -11.101 -3.853 -0.062 1.00 0.00 C ATOM 821 O SER A 50 -12.243 -3.413 -0.218 1.00 0.00 O ATOM 822 CB SER A 50 -9.070 -2.899 -1.179 1.00 0.00 C ATOM 823 OG SER A 50 -8.061 -1.904 -1.046 1.00 0.00 O ATOM 0 H SER A 50 -8.163 -3.703 0.977 1.00 0.00 H new ATOM 0 HA SER A 50 -10.297 -1.922 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.616 -3.875 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.700 -2.684 -2.042 1.00 0.00 H new ATOM 0 HG SER A 50 -7.515 -1.882 -1.859 1.00 0.00 H new ATOM 829 N TYR A 51 -10.822 -5.148 0.004 1.00 0.00 N ATOM 830 CA TYR A 51 -11.864 -6.151 -0.106 1.00 0.00 C ATOM 831 C TYR A 51 -12.840 -6.035 1.054 1.00 0.00 C ATOM 832 O TYR A 51 -14.056 -6.099 0.884 1.00 0.00 O ATOM 833 CB TYR A 51 -11.266 -7.563 -0.177 1.00 0.00 C ATOM 834 CG TYR A 51 -12.376 -8.588 -0.233 1.00 0.00 C ATOM 835 CD1 TYR A 51 -13.020 -8.868 -1.447 1.00 0.00 C ATOM 836 CD2 TYR A 51 -12.740 -9.276 0.922 1.00 0.00 C ATOM 837 CE1 TYR A 51 -14.035 -9.830 -1.493 1.00 0.00 C ATOM 838 CE2 TYR A 51 -13.752 -10.240 0.878 1.00 0.00 C ATOM 839 CZ TYR A 51 -14.401 -10.519 -0.331 1.00 0.00 C ATOM 840 OH TYR A 51 -15.410 -11.462 -0.376 1.00 0.00 O ATOM 0 H TYR A 51 -9.883 -5.525 0.133 1.00 0.00 H new ATOM 0 HA TYR A 51 -12.409 -5.973 -1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.630 -7.654 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.635 -7.744 0.693 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.733 -8.342 -2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.239 -9.064 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -14.536 -10.041 -2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -14.033 -10.769 1.776 1.00 0.00 H new ATOM 0 HH TYR A 51 -16.280 -11.011 -0.355 1.00 0.00 H new ATOM 850 N CYS A 52 -12.281 -5.928 2.251 1.00 0.00 N ATOM 851 CA CYS A 52 -13.094 -5.857 3.458 1.00 0.00 C ATOM 852 C CYS A 52 -13.952 -4.599 3.506 1.00 0.00 C ATOM 853 O CYS A 52 -15.137 -4.649 3.823 1.00 0.00 O ATOM 854 CB CYS A 52 -12.182 -5.843 4.687 1.00 0.00 C ATOM 855 SG CYS A 52 -11.342 -7.433 4.839 1.00 0.00 S ATOM 0 H CYS A 52 -11.275 -5.889 2.413 1.00 0.00 H new ATOM 0 HA CYS A 52 -13.749 -6.728 3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.449 -5.041 4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.768 -5.643 5.584 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.456 -7.548 3.895 1.00 0.00 H new ATOM 861 N GLN A 53 -13.350 -3.464 3.199 1.00 0.00 N ATOM 862 CA GLN A 53 -14.078 -2.204 3.226 1.00 0.00 C ATOM 863 C GLN A 53 -15.141 -2.139 2.139 1.00 0.00 C ATOM 864 O GLN A 53 -16.230 -1.608 2.352 1.00 0.00 O ATOM 865 CB GLN A 53 -13.109 -1.041 3.054 1.00 0.00 C ATOM 866 CG GLN A 53 -12.235 -0.904 4.304 1.00 0.00 C ATOM 867 CD GLN A 53 -11.146 0.138 4.061 1.00 0.00 C ATOM 868 OE1 GLN A 53 -10.685 0.301 2.930 1.00 0.00 O ATOM 869 NE2 GLN A 53 -10.700 0.854 5.058 1.00 0.00 N ATOM 0 H GLN A 53 -12.369 -3.386 2.930 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.578 -2.136 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.482 -1.205 2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.662 -0.117 2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.847 -0.611 5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.783 -1.865 4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.082 0.719 5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.970 1.549 4.901 1.00 0.00 H new ATOM 878 N ARG A 54 -14.802 -2.643 0.959 1.00 0.00 N ATOM 879 CA ARG A 54 -15.725 -2.584 -0.161 1.00 0.00 C ATOM 880 C ARG A 54 -16.832 -3.627 0.028 1.00 0.00 C ATOM 881 O ARG A 54 -17.802 -3.659 -0.731 1.00 0.00 O ATOM 882 CB ARG A 54 -14.977 -2.816 -1.488 1.00 0.00 C ATOM 883 CG ARG A 54 -14.833 -4.303 -1.781 1.00 0.00 C ATOM 884 CD ARG A 54 -13.906 -4.530 -2.968 1.00 0.00 C ATOM 885 NE ARG A 54 -14.013 -5.927 -3.395 1.00 0.00 N ATOM 886 CZ ARG A 54 -14.938 -6.299 -4.285 1.00 0.00 C ATOM 887 NH1 ARG A 54 -15.800 -5.432 -4.751 1.00 0.00 N ATOM 888 NH2 ARG A 54 -15.011 -7.538 -4.672 1.00 0.00 N ATOM 0 H ARG A 54 -13.908 -3.090 0.757 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.178 -1.593 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.516 -2.332 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.991 -2.354 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.440 -4.815 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.812 -4.734 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.174 -3.864 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.877 -4.298 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.375 -6.623 -3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.770 -4.463 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.502 -5.726 -5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.361 -8.229 -4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.718 -7.819 -5.351 1.00 0.00 H new ATOM 902 N GLN A 55 -16.681 -4.475 1.052 1.00 0.00 N ATOM 903 CA GLN A 55 -17.689 -5.506 1.341 1.00 0.00 C ATOM 904 C GLN A 55 -18.082 -5.480 2.812 1.00 0.00 C ATOM 905 O GLN A 55 -19.192 -5.078 3.160 1.00 0.00 O ATOM 906 CB GLN A 55 -17.194 -6.919 0.975 1.00 0.00 C ATOM 907 CG GLN A 55 -17.060 -7.038 -0.536 1.00 0.00 C ATOM 908 CD GLN A 55 -16.730 -8.471 -0.922 1.00 0.00 C ATOM 909 OE1 GLN A 55 -16.689 -9.348 -0.063 1.00 0.00 O ATOM 910 NE2 GLN A 55 -16.510 -8.759 -2.175 1.00 0.00 N ATOM 0 H GLN A 55 -15.883 -4.470 1.687 1.00 0.00 H new ATOM 0 HA GLN A 55 -18.557 -5.276 0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -16.233 -7.113 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -17.892 -7.668 1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -17.988 -6.729 -1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.278 -6.368 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.546 -8.024 -2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.302 -9.719 -2.449 1.00 0.00 H new ATOM 919 N GLY A 56 -17.163 -5.902 3.667 1.00 0.00 N ATOM 920 CA GLY A 56 -17.426 -5.916 5.104 1.00 0.00 C ATOM 921 C GLY A 56 -16.133 -5.974 5.899 1.00 0.00 C ATOM 922 O GLY A 56 -15.088 -6.354 5.375 1.00 0.00 O ATOM 0 H GLY A 56 -16.238 -6.236 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.987 -5.024 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.048 -6.775 5.354 1.00 0.00 H new ATOM 926 N VAL A 57 -16.198 -5.596 7.168 1.00 0.00 N ATOM 927 CA VAL A 57 -14.999 -5.620 7.986 1.00 0.00 C ATOM 928 C VAL A 57 -14.901 -6.953 8.730 1.00 0.00 C ATOM 929 O VAL A 57 -15.904 -7.419 9.243 1.00 0.00 O ATOM 930 CB VAL A 57 -15.042 -4.468 8.995 1.00 0.00 C ATOM 931 CG1 VAL A 57 -16.119 -4.730 10.024 1.00 0.00 C ATOM 932 CG2 VAL A 57 -13.700 -4.318 9.710 1.00 0.00 C ATOM 0 H VAL A 57 -17.044 -5.278 7.641 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.126 -5.506 7.343 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.258 -3.549 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -16.146 -3.908 10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.086 -4.810 9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.903 -5.661 10.548 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.757 -3.494 10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.466 -5.240 10.242 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.919 -4.113 8.978 1.00 0.00 H new ATOM 942 N PRO A 58 -13.731 -7.551 8.825 1.00 0.00 N ATOM 943 CA PRO A 58 -13.523 -8.836 9.565 1.00 0.00 C ATOM 944 C PRO A 58 -13.745 -8.704 11.047 1.00 0.00 C ATOM 945 O PRO A 58 -13.904 -9.698 11.753 1.00 0.00 O ATOM 946 CB PRO A 58 -12.084 -9.218 9.251 1.00 0.00 C ATOM 947 CG PRO A 58 -11.415 -7.951 8.878 1.00 0.00 C ATOM 948 CD PRO A 58 -12.469 -7.109 8.203 1.00 0.00 C ATOM 0 HA PRO A 58 -14.242 -9.594 9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.602 -9.678 10.114 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.038 -9.941 8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.016 -7.446 9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.575 -8.135 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.295 -6.045 8.366 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.478 -7.269 7.125 1.00 0.00 H new ATOM 956 N MET A 59 -13.730 -7.484 11.512 1.00 0.00 N ATOM 957 CA MET A 59 -13.913 -7.242 12.927 1.00 0.00 C ATOM 958 C MET A 59 -15.338 -7.569 13.374 1.00 0.00 C ATOM 959 O MET A 59 -16.044 -6.708 13.898 1.00 0.00 O ATOM 960 CB MET A 59 -13.635 -5.787 13.242 1.00 0.00 C ATOM 961 CG MET A 59 -12.162 -5.479 12.950 1.00 0.00 C ATOM 962 SD MET A 59 -11.789 -3.768 13.419 1.00 0.00 S ATOM 963 CE MET A 59 -10.110 -3.704 12.741 1.00 0.00 C ATOM 0 H MET A 59 -13.595 -6.648 10.944 1.00 0.00 H new ATOM 0 HA MET A 59 -13.218 -7.890 13.461 1.00 0.00 H new ATOM 0 HB2 MET A 59 -14.279 -5.144 12.642 1.00 0.00 H new ATOM 0 HB3 MET A 59 -13.862 -5.579 14.288 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.521 -6.166 13.503 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.952 -5.630 11.891 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.682 -2.718 12.922 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.493 -4.462 13.224 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.143 -3.893 11.668 1.00 0.00 H new ATOM 973 N ASN A 60 -15.747 -8.821 13.176 1.00 0.00 N ATOM 974 CA ASN A 60 -17.083 -9.250 13.580 1.00 0.00 C ATOM 975 C ASN A 60 -17.310 -10.705 13.171 1.00 0.00 C ATOM 976 O ASN A 60 -17.098 -11.628 13.961 1.00 0.00 O ATOM 977 CB ASN A 60 -18.153 -8.375 12.919 1.00 0.00 C ATOM 978 CG ASN A 60 -17.785 -8.112 11.464 1.00 0.00 C ATOM 979 OD1 ASN A 60 -16.772 -8.739 10.938 1.00 0.00 O ATOM 980 ND2 ASN A 60 -18.433 -7.311 10.790 1.00 0.00 N ATOM 0 H ASN A 60 -15.179 -9.549 12.743 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.159 -9.153 14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.123 -8.869 12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.245 -7.431 13.456 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -18.177 -7.138 9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.226 -6.821 11.204 1.00 0.00 H new ATOM 987 N SER A 61 -17.749 -10.896 11.926 1.00 0.00 N ATOM 988 CA SER A 61 -18.011 -12.243 11.404 1.00 0.00 C ATOM 989 C SER A 61 -16.903 -12.708 10.468 1.00 0.00 C ATOM 990 O SER A 61 -16.351 -13.794 10.636 1.00 0.00 O ATOM 991 CB SER A 61 -19.340 -12.266 10.652 1.00 0.00 C ATOM 992 OG SER A 61 -20.361 -11.741 11.493 1.00 0.00 O ATOM 0 H SER A 61 -17.930 -10.143 11.263 1.00 0.00 H new ATOM 0 HA SER A 61 -18.051 -12.921 12.257 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.265 -11.676 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.586 -13.285 10.354 1.00 0.00 H new ATOM 0 HG SER A 61 -20.864 -11.055 11.007 1.00 0.00 H new ATOM 998 N LEU A 62 -16.594 -11.888 9.472 1.00 0.00 N ATOM 999 CA LEU A 62 -15.563 -12.227 8.499 1.00 0.00 C ATOM 1000 C LEU A 62 -14.210 -12.396 9.181 1.00 0.00 C ATOM 1001 O LEU A 62 -13.858 -11.667 10.109 1.00 0.00 O ATOM 1002 CB LEU A 62 -15.496 -11.118 7.443 1.00 0.00 C ATOM 1003 CG LEU A 62 -16.544 -11.339 6.359 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -17.035 -9.980 5.862 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -15.912 -12.090 5.179 1.00 0.00 C ATOM 0 H LEU A 62 -17.042 -10.985 9.316 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.814 -13.174 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.655 -10.149 7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -14.502 -11.095 6.995 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.372 -11.919 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.786 -10.126 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -17.474 -9.426 6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.196 -9.417 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.662 -12.248 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.089 -11.502 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.536 -13.054 5.521 1.00 0.00 H new ATOM 1017 N ARG A 63 -13.482 -13.399 8.721 1.00 0.00 N ATOM 1018 CA ARG A 63 -12.171 -13.729 9.269 1.00 0.00 C ATOM 1019 C ARG A 63 -11.171 -14.048 8.173 1.00 0.00 C ATOM 1020 O ARG A 63 -11.518 -14.640 7.164 1.00 0.00 O ATOM 1021 CB ARG A 63 -12.282 -14.913 10.238 1.00 0.00 C ATOM 1022 CG ARG A 63 -10.873 -15.389 10.642 1.00 0.00 C ATOM 1023 CD ARG A 63 -10.976 -16.439 11.741 1.00 0.00 C ATOM 1024 NE ARG A 63 -11.399 -15.822 12.994 1.00 0.00 N ATOM 1025 CZ ARG A 63 -11.709 -16.562 14.051 1.00 0.00 C ATOM 1026 NH1 ARG A 63 -11.652 -17.862 13.978 1.00 0.00 N ATOM 1027 NH2 ARG A 63 -12.065 -15.986 15.167 1.00 0.00 N ATOM 0 H ARG A 63 -13.779 -14.008 7.959 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.810 -12.854 9.809 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.845 -14.618 11.124 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.831 -15.729 9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.358 -15.805 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.280 -14.543 10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.688 -17.211 11.450 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.012 -16.929 11.877 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.457 -14.806 13.058 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.369 -18.312 13.108 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.891 -18.429 14.791 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.105 -14.968 15.226 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.304 -16.553 15.980 1.00 0.00 H new ATOM 1041 N PHE A 64 -9.922 -13.657 8.393 1.00 0.00 N ATOM 1042 CA PHE A 64 -8.857 -13.934 7.432 1.00 0.00 C ATOM 1043 C PHE A 64 -7.857 -14.926 8.005 1.00 0.00 C ATOM 1044 O PHE A 64 -7.138 -14.598 8.949 1.00 0.00 O ATOM 1045 CB PHE A 64 -8.142 -12.630 7.057 1.00 0.00 C ATOM 1046 CG PHE A 64 -9.020 -11.834 6.136 1.00 0.00 C ATOM 1047 CD1 PHE A 64 -10.057 -11.061 6.650 1.00 0.00 C ATOM 1048 CD2 PHE A 64 -8.805 -11.894 4.757 1.00 0.00 C ATOM 1049 CE1 PHE A 64 -10.879 -10.336 5.781 1.00 0.00 C ATOM 1050 CE2 PHE A 64 -9.625 -11.175 3.892 1.00 0.00 C ATOM 1051 CZ PHE A 64 -10.663 -10.398 4.405 1.00 0.00 C ATOM 0 H PHE A 64 -9.620 -13.149 9.224 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.303 -14.372 6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.918 -12.053 7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.190 -12.849 6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.226 -11.021 7.716 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.002 -12.499 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.680 -9.729 6.176 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.458 -11.219 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.302 -9.842 3.734 1.00 0.00 H new ATOM 1061 N LEU A 65 -7.797 -16.140 7.444 1.00 0.00 N ATOM 1062 CA LEU A 65 -6.860 -17.128 7.944 1.00 0.00 C ATOM 1063 C LEU A 65 -5.742 -17.282 6.917 1.00 0.00 C ATOM 1064 O LEU A 65 -5.962 -17.803 5.822 1.00 0.00 O ATOM 1065 CB LEU A 65 -7.581 -18.472 8.096 1.00 0.00 C ATOM 1066 CG LEU A 65 -6.825 -19.358 9.087 1.00 0.00 C ATOM 1067 CD1 LEU A 65 -7.237 -19.003 10.523 1.00 0.00 C ATOM 1068 CD2 LEU A 65 -7.144 -20.829 8.820 1.00 0.00 C ATOM 0 H LEU A 65 -8.375 -16.448 6.662 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.457 -16.817 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.601 -18.310 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.649 -18.970 7.129 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.755 -19.191 8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.695 -19.637 11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.000 -17.958 10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.309 -19.161 10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.602 -21.454 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.215 -20.996 8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.843 -21.088 7.805 1.00 0.00 H new ATOM 1080 N PHE A 66 -4.562 -16.790 7.260 1.00 0.00 N ATOM 1081 CA PHE A 66 -3.424 -16.834 6.350 1.00 0.00 C ATOM 1082 C PHE A 66 -3.026 -18.279 6.071 1.00 0.00 C ATOM 1083 O PHE A 66 -2.742 -18.643 4.929 1.00 0.00 O ATOM 1084 CB PHE A 66 -2.250 -16.056 6.943 1.00 0.00 C ATOM 1085 CG PHE A 66 -1.298 -15.647 5.840 1.00 0.00 C ATOM 1086 CD1 PHE A 66 -1.731 -14.712 4.891 1.00 0.00 C ATOM 1087 CD2 PHE A 66 0.002 -16.163 5.768 1.00 0.00 C ATOM 1088 CE1 PHE A 66 -0.876 -14.304 3.870 1.00 0.00 C ATOM 1089 CE2 PHE A 66 0.858 -15.752 4.739 1.00 0.00 C ATOM 1090 CZ PHE A 66 0.416 -14.822 3.792 1.00 0.00 C ATOM 0 H PHE A 66 -4.365 -16.355 8.161 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.707 -16.369 5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.615 -15.173 7.467 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.728 -16.670 7.677 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.730 -14.307 4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.343 -16.876 6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.214 -13.586 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.859 -16.153 4.676 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.077 -14.505 2.999 1.00 0.00 H new ATOM 1100 N GLU A 67 -3.000 -19.101 7.118 1.00 0.00 N ATOM 1101 CA GLU A 67 -2.634 -20.504 6.974 1.00 0.00 C ATOM 1102 C GLU A 67 -3.490 -21.384 7.890 1.00 0.00 C ATOM 1103 O GLU A 67 -4.455 -22.005 7.449 1.00 0.00 O ATOM 1104 CB GLU A 67 -1.147 -20.695 7.309 1.00 0.00 C ATOM 1105 CG GLU A 67 -0.718 -19.707 8.407 1.00 0.00 C ATOM 1106 CD GLU A 67 0.742 -19.926 8.773 1.00 0.00 C ATOM 1107 OE1 GLU A 67 1.187 -21.060 8.708 1.00 0.00 O1- ATOM 1108 OE2 GLU A 67 1.394 -18.955 9.120 1.00 0.00 O ATOM 0 H GLU A 67 -3.228 -18.819 8.071 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.812 -20.802 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.970 -21.718 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.543 -20.541 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.864 -18.683 8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.345 -19.838 9.289 1.00 0.00 H new ATOM 1115 N GLY A 68 -3.117 -21.430 9.163 1.00 0.00 N ATOM 1116 CA GLY A 68 -3.830 -22.228 10.155 1.00 0.00 C ATOM 1117 C GLY A 68 -3.946 -21.462 11.472 1.00 0.00 C ATOM 1118 O GLY A 68 -3.909 -22.055 12.549 1.00 0.00 O ATOM 0 H GLY A 68 -2.317 -20.919 9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.824 -22.478 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.305 -23.169 10.319 1.00 0.00 H new ATOM 1122 N GLN A 69 -4.082 -20.141 11.377 1.00 0.00 N ATOM 1123 CA GLN A 69 -4.193 -19.309 12.568 1.00 0.00 C ATOM 1124 C GLN A 69 -4.629 -17.894 12.198 1.00 0.00 C ATOM 1125 O GLN A 69 -5.011 -17.635 11.060 1.00 0.00 O ATOM 1126 CB GLN A 69 -2.861 -19.277 13.316 1.00 0.00 C ATOM 1127 CG GLN A 69 -1.788 -18.674 12.415 1.00 0.00 C ATOM 1128 CD GLN A 69 -0.434 -18.731 13.110 1.00 0.00 C ATOM 1129 OE1 GLN A 69 -0.282 -19.416 14.118 1.00 0.00 O ATOM 1130 NE2 GLN A 69 0.570 -18.061 12.615 1.00 0.00 N ATOM 0 H GLN A 69 -4.118 -19.630 10.495 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.951 -19.741 13.221 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.958 -18.689 14.228 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.575 -20.285 13.616 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.745 -19.218 11.472 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.040 -17.641 12.176 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.441 -17.493 11.778 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.484 -18.105 13.065 1.00 0.00 H new ATOM 1139 N ARG A 70 -4.543 -16.986 13.164 1.00 0.00 N ATOM 1140 CA ARG A 70 -4.918 -15.595 12.924 1.00 0.00 C ATOM 1141 C ARG A 70 -3.701 -14.688 13.074 1.00 0.00 C ATOM 1142 O ARG A 70 -2.877 -14.885 13.968 1.00 0.00 O ATOM 1143 CB ARG A 70 -5.996 -15.167 13.921 1.00 0.00 C ATOM 1144 CG ARG A 70 -7.248 -16.015 13.721 1.00 0.00 C ATOM 1145 CD ARG A 70 -8.280 -15.653 14.790 1.00 0.00 C ATOM 1146 NE ARG A 70 -8.754 -14.290 14.590 1.00 0.00 N ATOM 1147 CZ ARG A 70 -9.591 -13.721 15.452 1.00 0.00 C ATOM 1148 NH1 ARG A 70 -9.999 -14.386 16.500 1.00 0.00 N ATOM 1149 NH2 ARG A 70 -10.007 -12.503 15.249 1.00 0.00 N ATOM 0 H ARG A 70 -4.221 -17.184 14.111 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.306 -15.509 11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.627 -15.280 14.941 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.234 -14.112 13.783 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.662 -15.844 12.727 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.998 -17.074 13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.119 -16.348 14.746 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.837 -15.750 15.781 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.439 -13.764 13.775 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.675 -15.341 16.656 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.641 -13.951 17.162 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.690 -11.986 14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.649 -12.067 15.910 1.00 0.00 H new ATOM 1163 N ILE A 71 -3.593 -13.702 12.188 1.00 0.00 N ATOM 1164 CA ILE A 71 -2.469 -12.769 12.215 1.00 0.00 C ATOM 1165 C ILE A 71 -2.959 -11.323 12.233 1.00 0.00 C ATOM 1166 O ILE A 71 -4.069 -11.025 11.796 1.00 0.00 O ATOM 1167 CB ILE A 71 -1.581 -12.998 10.980 1.00 0.00 C ATOM 1168 CG1 ILE A 71 -2.400 -12.767 9.697 1.00 0.00 C ATOM 1169 CG2 ILE A 71 -1.051 -14.433 10.994 1.00 0.00 C ATOM 1170 CD1 ILE A 71 -1.477 -12.774 8.477 1.00 0.00 C ATOM 0 H ILE A 71 -4.268 -13.528 11.444 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.894 -12.948 13.123 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.746 -12.298 11.003 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.157 -13.544 9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.927 -11.815 9.759 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.422 -14.597 10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.465 -14.596 11.899 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.888 -15.130 10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.066 -12.610 7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.736 -11.980 8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.970 -13.737 8.410 1.00 0.00 H new ATOM 1182 N ALA A 72 -2.113 -10.429 12.732 1.00 0.00 N ATOM 1183 CA ALA A 72 -2.450 -9.011 12.788 1.00 0.00 C ATOM 1184 C ALA A 72 -2.257 -8.361 11.420 1.00 0.00 C ATOM 1185 O ALA A 72 -1.564 -8.899 10.556 1.00 0.00 O ATOM 1186 CB ALA A 72 -1.603 -8.298 13.847 1.00 0.00 C ATOM 0 H ALA A 72 -1.191 -10.660 13.103 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.499 -8.918 13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.868 -7.241 13.874 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.790 -8.744 14.824 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.547 -8.400 13.598 1.00 0.00 H new ATOM 1192 N ASP A 73 -2.896 -7.217 11.229 1.00 0.00 N ATOM 1193 CA ASP A 73 -2.818 -6.493 9.959 1.00 0.00 C ATOM 1194 C ASP A 73 -1.837 -5.320 10.053 1.00 0.00 C ATOM 1195 O ASP A 73 -1.882 -4.398 9.239 1.00 0.00 O ATOM 1196 CB ASP A 73 -4.208 -5.983 9.573 1.00 0.00 C ATOM 1197 CG ASP A 73 -4.624 -4.840 10.484 1.00 0.00 C ATOM 1198 OD1 ASP A 73 -3.898 -4.558 11.423 1.00 0.00 O1- ATOM 1199 OD2 ASP A 73 -5.670 -4.263 10.234 1.00 0.00 O ATOM 0 H ASP A 73 -3.477 -6.765 11.936 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.454 -7.177 9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.204 -5.647 8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.933 -6.794 9.643 1.00 0.00 H new ATOM 1204 N ASN A 74 -0.968 -5.359 11.064 1.00 0.00 N ATOM 1205 CA ASN A 74 0.017 -4.295 11.273 1.00 0.00 C ATOM 1206 C ASN A 74 1.445 -4.794 11.050 1.00 0.00 C ATOM 1207 O ASN A 74 2.414 -4.169 11.485 1.00 0.00 O ATOM 1208 CB ASN A 74 -0.137 -3.736 12.680 1.00 0.00 C ATOM 1209 CG ASN A 74 0.152 -4.823 13.706 1.00 0.00 C ATOM 1210 OD1 ASN A 74 0.665 -5.887 13.360 1.00 0.00 O ATOM 1211 ND2 ASN A 74 -0.175 -4.624 14.950 1.00 0.00 N ATOM 0 H ASN A 74 -0.925 -6.113 11.749 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.167 -3.508 10.542 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.545 -2.898 12.824 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.148 -3.352 12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.006 -5.352 15.644 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.600 -3.740 15.231 1.00 0.00 H new ATOM 1218 N HIS A 75 1.557 -5.929 10.382 1.00 0.00 N ATOM 1219 CA HIS A 75 2.867 -6.513 10.117 1.00 0.00 C ATOM 1220 C HIS A 75 2.930 -7.093 8.713 1.00 0.00 C ATOM 1221 O HIS A 75 1.907 -7.458 8.130 1.00 0.00 O ATOM 1222 CB HIS A 75 3.155 -7.631 11.119 1.00 0.00 C ATOM 1223 CG HIS A 75 2.144 -8.731 10.934 1.00 0.00 C ATOM 1224 ND1 HIS A 75 2.271 -9.706 9.956 1.00 0.00 N ATOM 1225 CD2 HIS A 75 0.988 -9.025 11.604 1.00 0.00 C ATOM 1226 CE1 HIS A 75 1.215 -10.531 10.067 1.00 0.00 C ATOM 1227 NE2 HIS A 75 0.401 -10.160 11.057 1.00 0.00 N ATOM 0 H HIS A 75 0.768 -6.462 10.015 1.00 0.00 H new ATOM 0 HA HIS A 75 3.610 -5.721 10.213 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.163 -8.018 10.971 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.108 -7.245 12.137 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.028 -9.783 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.591 -8.460 12.434 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.046 -11.389 9.433 1.00 0.00 H new ATOM 1235 N THR A 76 4.152 -7.173 8.184 1.00 0.00 N ATOM 1236 CA THR A 76 4.386 -7.713 6.851 1.00 0.00 C ATOM 1237 C THR A 76 5.487 -8.782 6.877 1.00 0.00 C ATOM 1238 O THR A 76 5.375 -9.798 6.197 1.00 0.00 O ATOM 1239 CB THR A 76 4.793 -6.594 5.875 1.00 0.00 C ATOM 1240 OG1 THR A 76 3.961 -5.462 6.066 1.00 0.00 O ATOM 1241 CG2 THR A 76 4.662 -7.094 4.441 1.00 0.00 C ATOM 0 H THR A 76 4.998 -6.867 8.665 1.00 0.00 H new ATOM 0 HA THR A 76 3.455 -8.168 6.513 1.00 0.00 H new ATOM 0 HB THR A 76 5.828 -6.311 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.709 -5.397 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.950 -6.301 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.313 -7.956 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.629 -7.383 4.250 1.00 0.00 H new ATOM 1249 N PRO A 77 6.553 -8.563 7.623 1.00 0.00 N ATOM 1250 CA PRO A 77 7.695 -9.510 7.705 1.00 0.00 C ATOM 1251 C PRO A 77 7.494 -10.575 8.777 1.00 0.00 C ATOM 1252 O PRO A 77 8.365 -11.410 9.004 1.00 0.00 O ATOM 1253 CB PRO A 77 8.879 -8.595 8.091 1.00 0.00 C ATOM 1254 CG PRO A 77 8.314 -7.331 8.646 1.00 0.00 C ATOM 1255 CD PRO A 77 6.798 -7.404 8.509 1.00 0.00 C ATOM 0 HA PRO A 77 7.834 -10.060 6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.516 -9.085 8.827 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.500 -8.386 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.599 -7.211 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.706 -6.468 8.108 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.319 -7.540 9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.395 -6.486 8.080 1.00 0.00 H new ATOM 1263 N LYS A 78 6.331 -10.553 9.414 1.00 0.00 N ATOM 1264 CA LYS A 78 6.034 -11.545 10.440 1.00 0.00 C ATOM 1265 C LYS A 78 6.021 -12.953 9.858 1.00 0.00 C ATOM 1266 O LYS A 78 6.641 -13.867 10.404 1.00 0.00 O ATOM 1267 CB LYS A 78 4.679 -11.235 11.067 1.00 0.00 C ATOM 1268 CG LYS A 78 4.442 -12.133 12.280 1.00 0.00 C ATOM 1269 CD LYS A 78 3.126 -11.757 12.955 1.00 0.00 C ATOM 1270 CE LYS A 78 2.925 -12.647 14.177 1.00 0.00 C ATOM 1271 NZ LYS A 78 1.650 -12.278 14.859 1.00 0.00 N1+ ATOM 0 H LYS A 78 5.590 -9.873 9.244 1.00 0.00 H new ATOM 0 HA LYS A 78 6.815 -11.500 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.640 -10.188 11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.887 -11.386 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.417 -13.178 11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.266 -12.030 12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.141 -10.708 13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.297 -11.880 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.899 -13.694 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.763 -12.533 14.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.514 -12.885 15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.692 -11.283 15.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.855 -12.408 14.202 1.00 0.00 H new ATOM 1285 N GLU A 79 5.320 -13.112 8.746 1.00 0.00 N ATOM 1286 CA GLU A 79 5.225 -14.413 8.084 1.00 0.00 C ATOM 1287 C GLU A 79 5.116 -14.275 6.572 1.00 0.00 C ATOM 1288 O GLU A 79 6.014 -14.714 5.857 1.00 0.00 O ATOM 1289 CB GLU A 79 4.006 -15.187 8.630 1.00 0.00 C ATOM 1290 CG GLU A 79 4.294 -15.715 10.042 1.00 0.00 C ATOM 1291 CD GLU A 79 5.407 -16.760 9.998 1.00 0.00 C ATOM 1292 OE1 GLU A 79 5.621 -17.322 8.935 1.00 0.00 O ATOM 1293 OE2 GLU A 79 6.040 -16.970 11.019 1.00 0.00 O1- ATOM 0 H GLU A 79 4.809 -12.362 8.281 1.00 0.00 H new ATOM 0 HA GLU A 79 6.141 -14.964 8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.133 -14.535 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.768 -16.018 7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.584 -14.891 10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.390 -16.153 10.466 1.00 0.00 H new ATOM 1300 N LEU A 80 4.004 -13.666 6.145 1.00 0.00 N ATOM 1301 CA LEU A 80 3.697 -13.447 4.715 1.00 0.00 C ATOM 1302 C LEU A 80 4.789 -14.130 3.883 1.00 0.00 C ATOM 1303 O LEU A 80 4.901 -15.360 3.911 1.00 0.00 O ATOM 1304 CB LEU A 80 3.681 -11.960 4.388 1.00 0.00 C ATOM 1305 CG LEU A 80 2.419 -11.326 4.950 1.00 0.00 C ATOM 1306 CD1 LEU A 80 2.464 -11.329 6.482 1.00 0.00 C ATOM 1307 CD2 LEU A 80 2.332 -9.901 4.428 1.00 0.00 C ATOM 0 H LEU A 80 3.287 -13.309 6.776 1.00 0.00 H new ATOM 0 HA LEU A 80 2.714 -13.861 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.562 -11.476 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.723 -11.815 3.309 1.00 0.00 H new ATOM 0 HG LEU A 80 1.542 -11.893 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.555 -10.872 6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.539 -12.355 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.330 -10.761 6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.433 -9.425 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.209 -9.341 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.292 -9.914 3.339 1.00 0.00 H new ATOM 1319 N GLY A 81 5.619 -13.354 3.166 1.00 0.00 N ATOM 1320 CA GLY A 81 6.707 -13.948 2.397 1.00 0.00 C ATOM 1321 C GLY A 81 6.180 -14.862 1.302 1.00 0.00 C ATOM 1322 O GLY A 81 6.717 -15.947 1.070 1.00 0.00 O ATOM 0 H GLY A 81 5.555 -12.338 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.314 -13.159 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.358 -14.514 3.063 1.00 0.00 H new ATOM 1326 N MET A 82 5.114 -14.427 0.650 1.00 0.00 N ATOM 1327 CA MET A 82 4.506 -15.232 -0.402 1.00 0.00 C ATOM 1328 C MET A 82 5.253 -15.030 -1.715 1.00 0.00 C ATOM 1329 O MET A 82 5.872 -13.987 -1.936 1.00 0.00 O ATOM 1330 CB MET A 82 3.038 -14.863 -0.576 1.00 0.00 C ATOM 1331 CG MET A 82 2.352 -14.921 0.793 1.00 0.00 C ATOM 1332 SD MET A 82 2.688 -16.493 1.640 1.00 0.00 S ATOM 1333 CE MET A 82 1.690 -17.569 0.596 1.00 0.00 C ATOM 0 H MET A 82 4.655 -13.533 0.826 1.00 0.00 H new ATOM 0 HA MET A 82 4.570 -16.281 -0.115 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.947 -13.864 -1.002 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.555 -15.551 -1.270 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.699 -14.092 1.410 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.276 -14.797 0.668 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.983 -18.122 1.214 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.144 -16.967 -0.130 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.339 -18.271 0.071 1.00 0.00 H new ATOM 1343 N GLU A 83 5.194 -16.033 -2.582 1.00 0.00 N ATOM 1344 CA GLU A 83 5.873 -15.947 -3.872 1.00 0.00 C ATOM 1345 C GLU A 83 4.909 -15.532 -4.979 1.00 0.00 C ATOM 1346 O GLU A 83 5.173 -14.589 -5.724 1.00 0.00 O ATOM 1347 CB GLU A 83 6.494 -17.304 -4.218 1.00 0.00 C ATOM 1348 CG GLU A 83 7.644 -17.613 -3.254 1.00 0.00 C ATOM 1349 CD GLU A 83 8.203 -19.004 -3.543 1.00 0.00 C ATOM 1350 OE1 GLU A 83 7.674 -19.662 -4.422 1.00 0.00 O1- ATOM 1351 OE2 GLU A 83 9.157 -19.385 -2.884 1.00 0.00 O ATOM 0 H GLU A 83 4.690 -16.905 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 83 6.652 -15.189 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.737 -18.086 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.861 -17.295 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.430 -16.866 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.291 -17.560 -2.224 1.00 0.00 H new ATOM 1358 N GLU A 84 3.795 -16.248 -5.086 1.00 0.00 N ATOM 1359 CA GLU A 84 2.808 -15.942 -6.112 1.00 0.00 C ATOM 1360 C GLU A 84 1.448 -16.509 -5.734 1.00 0.00 C ATOM 1361 O GLU A 84 0.445 -15.797 -5.736 1.00 0.00 O ATOM 1362 CB GLU A 84 3.252 -16.529 -7.456 1.00 0.00 C ATOM 1363 CG GLU A 84 2.238 -16.161 -8.544 1.00 0.00 C ATOM 1364 CD GLU A 84 2.694 -16.710 -9.892 1.00 0.00 C ATOM 1365 OE1 GLU A 84 3.849 -17.091 -9.993 1.00 0.00 O ATOM 1366 OE2 GLU A 84 1.882 -16.736 -10.804 1.00 0.00 O1- ATOM 0 H GLU A 84 3.555 -17.035 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 84 2.726 -14.858 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.238 -16.148 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.339 -17.613 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.258 -16.565 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.131 -15.078 -8.601 1.00 0.00 H new ATOM 1373 N GLU A 85 1.412 -17.804 -5.434 1.00 0.00 N ATOM 1374 CA GLU A 85 0.154 -18.454 -5.086 1.00 0.00 C ATOM 1375 C GLU A 85 -0.188 -18.222 -3.618 1.00 0.00 C ATOM 1376 O GLU A 85 0.089 -19.066 -2.764 1.00 0.00 O ATOM 1377 CB GLU A 85 0.264 -19.959 -5.355 1.00 0.00 C ATOM 1378 CG GLU A 85 -1.070 -20.645 -5.040 1.00 0.00 C ATOM 1379 CD GLU A 85 -0.977 -22.137 -5.340 1.00 0.00 C ATOM 1380 OE1 GLU A 85 0.127 -22.614 -5.543 1.00 0.00 O ATOM 1381 OE2 GLU A 85 -2.014 -22.780 -5.365 1.00 0.00 O1- ATOM 0 H GLU A 85 2.228 -18.416 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.639 -18.025 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.535 -20.132 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.057 -20.389 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.327 -20.492 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.867 -20.196 -5.633 1.00 0.00 H new ATOM 1388 N ASP A 86 -0.806 -17.081 -3.346 1.00 0.00 N ATOM 1389 CA ASP A 86 -1.206 -16.744 -1.994 1.00 0.00 C ATOM 1390 C ASP A 86 -2.708 -16.974 -1.823 1.00 0.00 C ATOM 1391 O ASP A 86 -3.513 -16.357 -2.508 1.00 0.00 O ATOM 1392 CB ASP A 86 -0.828 -15.294 -1.667 1.00 0.00 C ATOM 1393 CG ASP A 86 -1.131 -15.006 -0.198 1.00 0.00 C ATOM 1394 OD1 ASP A 86 -1.379 -15.954 0.528 1.00 0.00 O1- ATOM 1395 OD2 ASP A 86 -1.113 -13.846 0.179 1.00 0.00 O ATOM 0 H ASP A 86 -1.039 -16.376 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.677 -17.391 -1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.230 -15.128 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.386 -14.609 -2.305 1.00 0.00 H new ATOM 1400 N VAL A 87 -3.085 -17.882 -0.931 1.00 0.00 N ATOM 1401 CA VAL A 87 -4.505 -18.176 -0.714 1.00 0.00 C ATOM 1402 C VAL A 87 -4.904 -17.943 0.741 1.00 0.00 C ATOM 1403 O VAL A 87 -4.261 -18.450 1.661 1.00 0.00 O ATOM 1404 CB VAL A 87 -4.794 -19.624 -1.088 1.00 0.00 C ATOM 1405 CG1 VAL A 87 -6.190 -20.014 -0.595 1.00 0.00 C ATOM 1406 CG2 VAL A 87 -4.723 -19.794 -2.606 1.00 0.00 C ATOM 0 H VAL A 87 -2.442 -18.423 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.087 -17.503 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.050 -20.268 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.394 -21.050 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.237 -19.904 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.934 -19.366 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.931 -20.832 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.461 -19.147 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.726 -19.525 -2.956 1.00 0.00 H new ATOM 1416 N ILE A 88 -5.987 -17.192 0.928 1.00 0.00 N ATOM 1417 CA ILE A 88 -6.516 -16.902 2.262 1.00 0.00 C ATOM 1418 C ILE A 88 -7.962 -17.368 2.392 1.00 0.00 C ATOM 1419 O ILE A 88 -8.814 -17.022 1.573 1.00 0.00 O ATOM 1420 CB ILE A 88 -6.420 -15.404 2.565 1.00 0.00 C ATOM 1421 CG1 ILE A 88 -4.943 -14.989 2.658 1.00 0.00 C ATOM 1422 CG2 ILE A 88 -7.137 -15.087 3.878 1.00 0.00 C ATOM 1423 CD1 ILE A 88 -4.821 -13.460 2.686 1.00 0.00 C ATOM 0 H ILE A 88 -6.520 -16.770 0.168 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.912 -17.449 2.986 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.899 -14.845 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.495 -15.413 3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.391 -15.389 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.063 -14.019 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.187 -15.369 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.673 -15.647 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.770 -13.180 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.251 -13.044 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.356 -13.068 3.551 1.00 0.00 H new ATOM 1435 N GLU A 89 -8.231 -18.139 3.434 1.00 0.00 N ATOM 1436 CA GLU A 89 -9.579 -18.646 3.690 1.00 0.00 C ATOM 1437 C GLU A 89 -10.316 -17.731 4.640 1.00 0.00 C ATOM 1438 O GLU A 89 -9.730 -17.198 5.584 1.00 0.00 O ATOM 1439 CB GLU A 89 -9.499 -20.047 4.297 1.00 0.00 C ATOM 1440 CG GLU A 89 -8.967 -21.016 3.252 1.00 0.00 C ATOM 1441 CD GLU A 89 -8.802 -22.409 3.855 1.00 0.00 C ATOM 1442 OE1 GLU A 89 -9.041 -22.553 5.042 1.00 0.00 O1- ATOM 1443 OE2 GLU A 89 -8.442 -23.313 3.118 1.00 0.00 O ATOM 0 H GLU A 89 -7.535 -18.430 4.120 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.119 -18.686 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.847 -20.041 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.484 -20.366 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.651 -21.058 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.009 -20.661 2.872 1.00 0.00 H new ATOM 1450 N VAL A 90 -11.611 -17.558 4.390 1.00 0.00 N ATOM 1451 CA VAL A 90 -12.423 -16.711 5.243 1.00 0.00 C ATOM 1452 C VAL A 90 -13.733 -17.401 5.594 1.00 0.00 C ATOM 1453 O VAL A 90 -14.196 -18.275 4.861 1.00 0.00 O ATOM 1454 CB VAL A 90 -12.720 -15.383 4.534 1.00 0.00 C ATOM 1455 CG1 VAL A 90 -11.419 -14.641 4.239 1.00 0.00 C ATOM 1456 CG2 VAL A 90 -13.444 -15.656 3.213 1.00 0.00 C ATOM 0 H VAL A 90 -12.111 -17.989 3.613 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.868 -16.518 6.161 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.347 -14.773 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.643 -13.700 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.896 -14.437 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.788 -15.255 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.654 -14.711 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.814 -16.274 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.380 -16.177 3.412 1.00 0.00 H new ATOM 1466 N TYR A 91 -14.335 -16.993 6.708 1.00 0.00 N ATOM 1467 CA TYR A 91 -15.604 -17.569 7.130 1.00 0.00 C ATOM 1468 C TYR A 91 -16.636 -16.472 7.326 1.00 0.00 C ATOM 1469 O TYR A 91 -16.342 -15.442 7.932 1.00 0.00 O ATOM 1470 CB TYR A 91 -15.415 -18.341 8.440 1.00 0.00 C ATOM 1471 CG TYR A 91 -14.451 -19.481 8.209 1.00 0.00 C ATOM 1472 CD1 TYR A 91 -14.916 -20.696 7.694 1.00 0.00 C ATOM 1473 CD2 TYR A 91 -13.091 -19.323 8.514 1.00 0.00 C ATOM 1474 CE1 TYR A 91 -14.022 -21.752 7.477 1.00 0.00 C ATOM 1475 CE2 TYR A 91 -12.200 -20.379 8.299 1.00 0.00 C ATOM 1476 CZ TYR A 91 -12.664 -21.594 7.782 1.00 0.00 C ATOM 1477 OH TYR A 91 -11.785 -22.636 7.570 1.00 0.00 O ATOM 0 H TYR A 91 -13.967 -16.272 7.329 1.00 0.00 H new ATOM 0 HA TYR A 91 -15.955 -18.253 6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -15.033 -17.677 9.216 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -16.373 -18.724 8.792 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -15.964 -20.819 7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.732 -18.386 8.915 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.380 -22.688 7.074 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.153 -20.257 8.532 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.882 -22.361 7.832 1.00 0.00 H new ATOM 1487 N GLN A 92 -17.846 -16.699 6.823 1.00 0.00 N ATOM 1488 CA GLN A 92 -18.908 -15.715 6.959 1.00 0.00 C ATOM 1489 C GLN A 92 -20.095 -16.304 7.718 1.00 0.00 C ATOM 1490 O GLN A 92 -20.908 -17.033 7.152 1.00 0.00 O ATOM 1491 CB GLN A 92 -19.368 -15.261 5.572 1.00 0.00 C ATOM 1492 CG GLN A 92 -18.229 -14.536 4.862 1.00 0.00 C ATOM 1493 CD GLN A 92 -18.694 -14.025 3.495 1.00 0.00 C ATOM 1494 OE1 GLN A 92 -19.855 -14.202 3.127 1.00 0.00 O ATOM 1495 NE2 GLN A 92 -17.847 -13.392 2.721 1.00 0.00 N ATOM 0 H GLN A 92 -18.111 -17.548 6.323 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.521 -14.863 7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -19.686 -16.122 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -20.231 -14.601 5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.884 -13.701 5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.382 -15.210 4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.885 -13.247 3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -18.149 -13.045 1.811 1.00 0.00 H new ATOM 1504 N GLU A 93 -20.191 -15.966 8.999 1.00 0.00 N ATOM 1505 CA GLU A 93 -21.286 -16.447 9.832 1.00 0.00 C ATOM 1506 C GLU A 93 -22.618 -15.884 9.351 1.00 0.00 C ATOM 1507 O GLU A 93 -23.637 -16.576 9.351 1.00 0.00 O ATOM 1508 CB GLU A 93 -21.053 -16.050 11.291 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.866 -16.838 11.851 1.00 0.00 C ATOM 1510 CD GLU A 93 -19.585 -16.405 13.285 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -20.268 -15.513 13.760 1.00 0.00 O1- ATOM 1512 OE2 GLU A 93 -18.694 -16.977 13.892 1.00 0.00 O ATOM 0 H GLU A 93 -19.526 -15.362 9.482 1.00 0.00 H new ATOM 0 HA GLU A 93 -21.320 -17.534 9.757 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.858 -14.980 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -21.947 -16.251 11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.081 -17.906 11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.984 -16.672 11.232 1.00 0.00 H new ATOM 1519 N GLN A 94 -22.600 -14.618 8.943 1.00 0.00 N ATOM 1520 CA GLN A 94 -23.805 -13.955 8.465 1.00 0.00 C ATOM 1521 C GLN A 94 -23.483 -13.015 7.310 1.00 0.00 C ATOM 1522 O GLN A 94 -22.358 -12.529 7.184 1.00 0.00 O ATOM 1523 CB GLN A 94 -24.446 -13.173 9.609 1.00 0.00 C ATOM 1524 CG GLN A 94 -23.484 -12.092 10.094 1.00 0.00 C ATOM 1525 CD GLN A 94 -24.084 -11.379 11.294 1.00 0.00 C ATOM 1526 OE1 GLN A 94 -24.480 -10.149 11.169 1.00 0.00 O ATOM 1527 NE2 GLN A 94 -24.214 -11.967 12.368 1.00 0.00 N ATOM 0 H GLN A 94 -21.764 -14.033 8.935 1.00 0.00 H new ATOM 0 HA GLN A 94 -24.501 -14.713 8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -25.379 -12.720 9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -24.695 -13.847 10.429 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.526 -12.537 10.364 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -23.289 -11.378 9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -23.901 -12.933 12.461 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -24.634 -11.488 13.164 1.00 0.00 H new ATOM 1536 N THR A 95 -24.481 -12.762 6.470 1.00 0.00 N ATOM 1537 CA THR A 95 -24.301 -11.877 5.326 1.00 0.00 C ATOM 1538 C THR A 95 -24.134 -10.434 5.791 1.00 0.00 C ATOM 1539 O THR A 95 -23.545 -9.611 5.091 1.00 0.00 O ATOM 1540 CB THR A 95 -25.500 -11.981 4.381 1.00 0.00 C ATOM 1541 OG1 THR A 95 -26.683 -11.612 5.077 1.00 0.00 O ATOM 1542 CG2 THR A 95 -25.629 -13.419 3.876 1.00 0.00 C ATOM 0 H THR A 95 -25.418 -13.155 6.559 1.00 0.00 H new ATOM 0 HA THR A 95 -23.401 -12.183 4.793 1.00 0.00 H new ATOM 0 HB THR A 95 -25.355 -11.312 3.533 1.00 0.00 H new ATOM 0 HG1 THR A 95 -27.239 -11.048 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 95 -26.483 -13.493 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 95 -24.721 -13.700 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 95 -25.775 -14.090 4.722 1.00 0.00 H new ATOM 1550 N GLY A 96 -24.664 -10.135 6.972 1.00 0.00 N ATOM 1551 CA GLY A 96 -24.574 -8.785 7.517 1.00 0.00 C ATOM 1552 C GLY A 96 -25.666 -7.884 6.941 1.00 0.00 C ATOM 1553 O GLY A 96 -25.702 -6.686 7.214 1.00 0.00 O ATOM 0 H GLY A 96 -25.156 -10.802 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -24.664 -8.821 8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -23.594 -8.363 7.292 1.00 0.00 H new ATOM 1557 N GLY A 97 -26.555 -8.468 6.145 1.00 0.00 N ATOM 1558 CA GLY A 97 -27.638 -7.709 5.539 1.00 0.00 C ATOM 1559 C GLY A 97 -28.643 -8.653 4.896 1.00 0.00 C ATOM 1560 O GLY A 97 -28.438 -9.865 4.886 1.00 0.00 O ATOM 0 H GLY A 97 -26.546 -9.460 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -28.133 -7.099 6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -27.238 -7.026 4.790 1.00 0.00 H new ATOM 1564 N HIS A 98 -29.727 -8.087 4.368 1.00 0.00 N ATOM 1565 CA HIS A 98 -30.767 -8.889 3.729 1.00 0.00 C ATOM 1566 C HIS A 98 -31.347 -9.918 4.701 1.00 0.00 C ATOM 1567 O HIS A 98 -32.486 -9.782 5.151 1.00 0.00 O ATOM 1568 CB HIS A 98 -30.209 -9.591 2.484 1.00 0.00 C ATOM 1569 CG HIS A 98 -31.205 -10.604 1.996 1.00 0.00 C ATOM 1570 ND1 HIS A 98 -32.375 -10.238 1.352 1.00 0.00 N ATOM 1571 CD2 HIS A 98 -31.219 -11.977 2.050 1.00 0.00 C ATOM 1572 CE1 HIS A 98 -33.038 -11.368 1.045 1.00 0.00 C ATOM 1573 NE2 HIS A 98 -32.380 -12.456 1.448 1.00 0.00 N ATOM 0 H HIS A 98 -29.907 -7.083 4.370 1.00 0.00 H new ATOM 0 HA HIS A 98 -31.571 -8.218 3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -30.004 -8.860 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -29.263 -10.079 2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -30.448 -12.591 2.492 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -33.989 -11.391 0.534 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -32.666 -13.429 1.339 1.00 0.00 H new ATOM 1581 N SER A 99 -30.561 -10.938 5.024 1.00 0.00 N ATOM 1582 CA SER A 99 -31.004 -11.975 5.938 1.00 0.00 C ATOM 1583 C SER A 99 -31.141 -11.413 7.349 1.00 0.00 C ATOM 1584 O SER A 99 -30.386 -10.531 7.753 1.00 0.00 O ATOM 1585 CB SER A 99 -29.991 -13.117 5.941 1.00 0.00 C ATOM 1586 OG SER A 99 -29.926 -13.689 4.641 1.00 0.00 O ATOM 0 H SER A 99 -29.615 -11.066 4.665 1.00 0.00 H new ATOM 0 HA SER A 99 -31.975 -12.345 5.609 1.00 0.00 H new ATOM 0 HB2 SER A 99 -29.010 -12.747 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 99 -30.281 -13.874 6.670 1.00 0.00 H new ATOM 0 HG SER A 99 -29.275 -14.422 4.638 1.00 0.00 H new ATOM 1592 N THR A 100 -32.109 -11.935 8.087 1.00 0.00 N ATOM 1593 CA THR A 100 -32.340 -11.485 9.453 1.00 0.00 C ATOM 1594 C THR A 100 -31.171 -11.869 10.352 1.00 0.00 C ATOM 1595 O THR A 100 -30.800 -11.120 11.257 1.00 0.00 O ATOM 1596 CB THR A 100 -33.629 -12.104 9.991 1.00 0.00 C ATOM 1597 OG1 THR A 100 -33.940 -11.529 11.252 1.00 0.00 O ATOM 1598 CG2 THR A 100 -33.453 -13.615 10.151 1.00 0.00 C ATOM 0 H THR A 100 -32.744 -12.666 7.767 1.00 0.00 H new ATOM 0 HA THR A 100 -32.432 -10.399 9.448 1.00 0.00 H new ATOM 0 HB THR A 100 -34.440 -11.909 9.289 1.00 0.00 H new ATOM 0 HG1 THR A 100 -34.768 -11.925 11.597 1.00 0.00 H new ATOM 0 HG21 THR A 100 -34.376 -14.050 10.535 1.00 0.00 H new ATOM 0 HG22 THR A 100 -33.218 -14.058 9.183 1.00 0.00 H new ATOM 0 HG23 THR A 100 -32.640 -13.815 10.849 1.00 0.00 H new ATOM 1606 N VAL A 101 -30.594 -13.041 10.100 1.00 0.00 N ATOM 1607 CA VAL A 101 -29.469 -13.518 10.894 1.00 0.00 C ATOM 1608 C VAL A 101 -28.161 -13.344 10.130 1.00 0.00 C ATOM 1609 O VAL A 101 -28.802 -12.859 9.201 1.00 0.00 O ATOM 1610 CB VAL A 101 -29.668 -14.995 11.243 1.00 0.00 C ATOM 1611 CG1 VAL A 101 -29.698 -15.824 9.959 1.00 0.00 C ATOM 1612 CG2 VAL A 101 -28.512 -15.467 12.127 1.00 0.00 C ATOM 0 H VAL A 101 -30.886 -13.674 9.356 1.00 0.00 H new ATOM 0 HA VAL A 101 -29.419 -12.931 11.811 1.00 0.00 H new ATOM 0 HB VAL A 101 -30.610 -15.119 11.776 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -29.840 -16.876 10.208 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -30.520 -15.487 9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -28.756 -15.701 9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -28.651 -16.519 12.377 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -27.571 -15.343 11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -28.490 -14.876 13.043 1.00 0.00 H new ATOM 1623 N GLY B 201 29.532 -19.439 7.891 1.00 0.00 N ATOM 1624 CA GLY B 201 29.338 -19.159 9.345 1.00 0.00 C ATOM 1625 C GLY B 201 28.097 -18.294 9.552 1.00 0.00 C ATOM 1626 O GLY B 201 27.489 -17.819 8.594 1.00 0.00 O ATOM 0 HA2 GLY B 201 29.233 -20.096 9.893 1.00 0.00 H new ATOM 0 HA3 GLY B 201 30.215 -18.652 9.746 1.00 0.00 H new ATOM 1629 N GLN B 202 27.741 -18.102 10.796 1.00 0.00 N ATOM 1630 CA GLN B 202 26.547 -17.269 11.120 1.00 0.00 C ATOM 1631 C GLN B 202 26.916 -16.281 12.224 1.00 0.00 C ATOM 1632 O GLN B 202 27.569 -16.645 13.202 1.00 0.00 O ATOM 1633 CB GLN B 202 25.391 -18.159 11.593 1.00 0.00 C ATOM 1634 CG GLN B 202 24.156 -17.296 11.871 1.00 0.00 C ATOM 1635 CD GLN B 202 24.010 -17.068 13.370 1.00 0.00 C ATOM 1636 OE1 GLN B 202 24.710 -16.237 13.943 1.00 0.00 O ATOM 1637 NE2 GLN B 202 23.133 -17.762 14.043 1.00 0.00 N ATOM 0 H GLN B 202 28.229 -18.489 11.604 1.00 0.00 H new ATOM 0 HA GLN B 202 26.231 -16.730 10.227 1.00 0.00 H new ATOM 0 HB2 GLN B 202 25.161 -18.907 10.834 1.00 0.00 H new ATOM 0 HB3 GLN B 202 25.680 -18.699 12.495 1.00 0.00 H new ATOM 0 HG2 GLN B 202 24.246 -16.340 11.356 1.00 0.00 H new ATOM 0 HG3 GLN B 202 23.264 -17.785 11.480 1.00 0.00 H new ATOM 0 HE21 GLN B 202 22.553 -18.451 13.565 1.00 0.00 H new ATOM 0 HE22 GLN B 202 23.028 -17.615 15.047 1.00 0.00 H new ATOM 1646 N ASP B 203 26.509 -15.051 12.065 1.00 0.00 N ATOM 1647 CA ASP B 203 26.832 -14.020 13.094 1.00 0.00 C ATOM 1648 C ASP B 203 25.691 -13.008 13.194 1.00 0.00 C ATOM 1649 O ASP B 203 24.544 -13.312 12.864 1.00 0.00 O ATOM 1650 CB ASP B 203 28.146 -13.306 12.774 1.00 0.00 C ATOM 1651 CG ASP B 203 28.709 -12.685 14.049 1.00 0.00 C ATOM 1652 OD1 ASP B 203 29.009 -13.430 14.965 1.00 0.00 O1- ATOM 1653 OD2 ASP B 203 28.825 -11.474 14.092 1.00 0.00 O ATOM 0 H ASP B 203 25.968 -14.715 11.269 1.00 0.00 H new ATOM 0 HA ASP B 203 26.951 -14.524 14.053 1.00 0.00 H new ATOM 0 HB2 ASP B 203 28.863 -14.011 12.353 1.00 0.00 H new ATOM 0 HB3 ASP B 203 27.980 -12.534 12.023 1.00 0.00 H new ATOM 1658 N ARG B 204 26.008 -11.828 13.663 1.00 0.00 N ATOM 1659 CA ARG B 204 24.946 -10.767 13.823 1.00 0.00 C ATOM 1660 C ARG B 204 24.523 -10.262 12.429 1.00 0.00 C ATOM 1661 O ARG B 204 24.725 -10.952 11.431 1.00 0.00 O ATOM 1662 CB ARG B 204 25.456 -9.578 14.684 1.00 0.00 C ATOM 1663 CG ARG B 204 24.448 -9.220 15.811 1.00 0.00 C ATOM 1664 CD ARG B 204 23.162 -8.675 15.207 1.00 0.00 C ATOM 1665 NE ARG B 204 23.388 -7.361 14.540 1.00 0.00 N ATOM 1666 CZ ARG B 204 23.317 -6.251 15.232 1.00 0.00 C ATOM 1667 NH1 ARG B 204 23.067 -6.289 16.514 1.00 0.00 N ATOM 1668 NH2 ARG B 204 23.495 -5.103 14.639 1.00 0.00 N ATOM 0 H ARG B 204 26.948 -11.547 13.943 1.00 0.00 H new ATOM 0 HA ARG B 204 24.092 -11.207 14.338 1.00 0.00 H new ATOM 0 HB2 ARG B 204 26.420 -9.833 15.124 1.00 0.00 H new ATOM 0 HB3 ARG B 204 25.616 -8.708 14.047 1.00 0.00 H new ATOM 0 HG2 ARG B 204 24.231 -10.104 16.411 1.00 0.00 H new ATOM 0 HG3 ARG B 204 24.887 -8.480 16.481 1.00 0.00 H new ATOM 0 HD2 ARG B 204 22.767 -9.389 14.484 1.00 0.00 H new ATOM 0 HD3 ARG B 204 22.410 -8.564 15.988 1.00 0.00 H new ATOM 0 HE ARG B 204 23.598 -7.326 13.543 1.00 0.00 H new ATOM 0 HH11 ARG B 204 22.926 -7.185 16.980 1.00 0.00 H new ATOM 0 HH12 ARG B 204 23.013 -5.422 17.049 1.00 0.00 H new ATOM 0 HH21 ARG B 204 23.689 -5.071 13.638 1.00 0.00 H new ATOM 0 HH22 ARG B 204 23.440 -4.238 15.176 1.00 0.00 H new ATOM 1682 N PHE B 205 23.925 -9.086 12.370 1.00 0.00 N ATOM 1683 CA PHE B 205 23.479 -8.526 11.041 1.00 0.00 C ATOM 1684 C PHE B 205 24.051 -7.125 10.853 1.00 0.00 C ATOM 1685 O PHE B 205 23.593 -6.381 9.989 1.00 0.00 O ATOM 1686 CB PHE B 205 21.952 -8.427 10.965 1.00 0.00 C ATOM 1687 CG PHE B 205 21.449 -7.656 12.158 1.00 0.00 C ATOM 1688 CD1 PHE B 205 21.503 -6.255 12.173 1.00 0.00 C ATOM 1689 CD2 PHE B 205 20.923 -8.340 13.251 1.00 0.00 C ATOM 1690 CE1 PHE B 205 21.042 -5.548 13.283 1.00 0.00 C ATOM 1691 CE2 PHE B 205 20.455 -7.635 14.366 1.00 0.00 C ATOM 1692 CZ PHE B 205 20.517 -6.235 14.382 1.00 0.00 C ATOM 0 H PHE B 205 23.728 -8.494 13.177 1.00 0.00 H new ATOM 0 HA PHE B 205 23.838 -9.200 10.263 1.00 0.00 H new ATOM 0 HB2 PHE B 205 21.653 -7.930 10.042 1.00 0.00 H new ATOM 0 HB3 PHE B 205 21.511 -9.424 10.948 1.00 0.00 H new ATOM 0 HD1 PHE B 205 21.903 -5.722 11.323 1.00 0.00 H new ATOM 0 HD2 PHE B 205 20.876 -9.419 13.238 1.00 0.00 H new ATOM 0 HE1 PHE B 205 21.090 -4.469 13.294 1.00 0.00 H new ATOM 0 HE2 PHE B 205 20.047 -8.169 15.212 1.00 0.00 H new ATOM 0 HZ PHE B 205 20.160 -5.688 15.242 1.00 0.00 H new ATOM 1702 N VAL B 206 24.985 -6.751 11.679 1.00 0.00 N ATOM 1703 CA VAL B 206 25.526 -5.362 11.605 1.00 0.00 C ATOM 1704 C VAL B 206 25.948 -5.019 10.180 1.00 0.00 C ATOM 1705 O VAL B 206 27.102 -5.194 9.789 1.00 0.00 O ATOM 1706 CB VAL B 206 26.742 -5.253 12.526 1.00 0.00 C ATOM 1707 CG1 VAL B 206 27.485 -3.946 12.252 1.00 0.00 C ATOM 1708 CG2 VAL B 206 26.289 -5.274 13.983 1.00 0.00 C ATOM 0 H VAL B 206 25.398 -7.342 12.401 1.00 0.00 H new ATOM 0 HA VAL B 206 24.747 -4.665 11.915 1.00 0.00 H new ATOM 0 HB VAL B 206 27.406 -6.097 12.336 1.00 0.00 H new ATOM 0 HG11 VAL B 206 28.350 -3.874 12.911 1.00 0.00 H new ATOM 0 HG12 VAL B 206 27.817 -3.927 11.214 1.00 0.00 H new ATOM 0 HG13 VAL B 206 26.818 -3.103 12.435 1.00 0.00 H new ATOM 0 HG21 VAL B 206 27.159 -5.196 14.636 1.00 0.00 H new ATOM 0 HG22 VAL B 206 25.620 -4.434 14.168 1.00 0.00 H new ATOM 0 HG23 VAL B 206 25.764 -6.207 14.187 1.00 0.00 H new ATOM 1718 N TYR B 207 24.995 -4.535 9.425 1.00 0.00 N ATOM 1719 CA TYR B 207 25.263 -4.154 8.013 1.00 0.00 C ATOM 1720 C TYR B 207 24.171 -3.210 7.514 1.00 0.00 C ATOM 1721 O TYR B 207 23.297 -2.810 8.276 1.00 0.00 O ATOM 1722 CB TYR B 207 25.299 -5.389 7.140 1.00 0.00 C ATOM 1723 CG TYR B 207 26.696 -5.960 7.102 1.00 0.00 C ATOM 1724 CD1 TYR B 207 27.689 -5.321 6.351 1.00 0.00 C ATOM 1725 CD2 TYR B 207 26.996 -7.135 7.799 1.00 0.00 C ATOM 1726 CE1 TYR B 207 28.981 -5.856 6.295 1.00 0.00 C ATOM 1727 CE2 TYR B 207 28.289 -7.666 7.745 1.00 0.00 C ATOM 1728 CZ TYR B 207 29.279 -7.028 6.993 1.00 0.00 C ATOM 1729 OH TYR B 207 30.550 -7.560 6.935 1.00 0.00 O ATOM 0 H TYR B 207 24.034 -4.388 9.734 1.00 0.00 H new ATOM 0 HA TYR B 207 26.228 -3.650 7.962 1.00 0.00 H new ATOM 0 HB2 TYR B 207 24.604 -6.135 7.524 1.00 0.00 H new ATOM 0 HB3 TYR B 207 24.973 -5.139 6.130 1.00 0.00 H new ATOM 0 HD1 TYR B 207 27.458 -4.413 5.814 1.00 0.00 H new ATOM 0 HD2 TYR B 207 26.231 -7.631 8.378 1.00 0.00 H new ATOM 0 HE1 TYR B 207 29.746 -5.363 5.713 1.00 0.00 H new ATOM 0 HE2 TYR B 207 28.523 -8.571 8.286 1.00 0.00 H new ATOM 0 HH TYR B 207 30.588 -8.375 7.478 1.00 0.00 H new ATOM 1739 N THR B 208 24.231 -2.868 6.246 1.00 0.00 N ATOM 1740 CA THR B 208 23.196 -1.958 5.670 1.00 0.00 C ATOM 1741 C THR B 208 22.795 -2.406 4.266 1.00 0.00 C ATOM 1742 O THR B 208 23.466 -3.228 3.643 1.00 0.00 O ATOM 1743 CB THR B 208 23.691 -0.519 5.623 1.00 0.00 C ATOM 1744 OG1 THR B 208 24.683 -0.382 4.612 1.00 0.00 O ATOM 1745 CG2 THR B 208 24.287 -0.140 6.981 1.00 0.00 C ATOM 0 H THR B 208 24.949 -3.180 5.592 1.00 0.00 H new ATOM 0 HA THR B 208 22.324 -2.007 6.322 1.00 0.00 H new ATOM 0 HB THR B 208 22.855 0.142 5.395 1.00 0.00 H new ATOM 0 HG1 THR B 208 24.997 0.546 4.585 1.00 0.00 H new ATOM 0 HG21 THR B 208 24.642 0.890 6.948 1.00 0.00 H new ATOM 0 HG22 THR B 208 23.524 -0.236 7.753 1.00 0.00 H new ATOM 0 HG23 THR B 208 25.121 -0.804 7.210 1.00 0.00 H new ATOM 1753 N CYS B 209 21.696 -1.864 3.796 1.00 0.00 N ATOM 1754 CA CYS B 209 21.174 -2.209 2.439 1.00 0.00 C ATOM 1755 C CYS B 209 21.123 -0.958 1.564 1.00 0.00 C ATOM 1756 O CYS B 209 20.577 0.067 1.949 1.00 0.00 O ATOM 1757 CB CYS B 209 19.811 -2.853 2.599 1.00 0.00 C ATOM 1758 SG CYS B 209 18.789 -2.641 1.117 1.00 0.00 S ATOM 0 H CYS B 209 21.131 -1.186 4.306 1.00 0.00 H new ATOM 0 HA CYS B 209 21.835 -2.917 1.939 1.00 0.00 H new ATOM 0 HB2 CYS B 209 19.933 -3.916 2.807 1.00 0.00 H new ATOM 0 HB3 CYS B 209 19.301 -2.416 3.458 1.00 0.00 H new ATOM 0 HG CYS B 209 17.629 -3.195 1.307 1.00 0.00 H new ATOM 1763 N ASN B 210 21.757 -1.061 0.428 1.00 0.00 N ATOM 1764 CA ASN B 210 21.872 0.087 -0.512 1.00 0.00 C ATOM 1765 C ASN B 210 20.674 0.172 -1.449 1.00 0.00 C ATOM 1766 O ASN B 210 20.639 1.027 -2.334 1.00 0.00 O ATOM 1767 CB ASN B 210 23.154 -0.044 -1.334 1.00 0.00 C ATOM 1768 CG ASN B 210 23.532 1.310 -1.923 1.00 0.00 C ATOM 1769 OD1 ASN B 210 23.279 2.348 -1.309 1.00 0.00 O ATOM 1770 ND2 ASN B 210 24.134 1.365 -3.079 1.00 0.00 N ATOM 0 H ASN B 210 22.211 -1.916 0.106 1.00 0.00 H new ATOM 0 HA ASN B 210 21.901 1.000 0.082 1.00 0.00 H new ATOM 0 HB2 ASN B 210 23.963 -0.416 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN B 210 23.011 -0.771 -2.133 1.00 0.00 H new ATOM 0 HD21 ASN B 210 24.396 2.268 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN B 210 24.343 0.505 -3.587 1.00 0.00 H new ATOM 1777 N GLU B 211 19.709 -0.677 -1.266 1.00 0.00 N ATOM 1778 CA GLU B 211 18.515 -0.615 -2.150 1.00 0.00 C ATOM 1779 C GLU B 211 17.466 0.336 -1.563 1.00 0.00 C ATOM 1780 O GLU B 211 16.809 1.060 -2.314 1.00 0.00 O ATOM 1781 CB GLU B 211 17.926 -2.015 -2.333 1.00 0.00 C ATOM 1782 CG GLU B 211 18.831 -2.892 -3.212 1.00 0.00 C ATOM 1783 CD GLU B 211 18.958 -2.298 -4.614 1.00 0.00 C ATOM 1784 OE1 GLU B 211 17.934 -2.000 -5.204 1.00 0.00 O1- ATOM 1785 OE2 GLU B 211 20.080 -2.159 -5.078 1.00 0.00 O ATOM 0 H GLU B 211 19.692 -1.405 -0.551 1.00 0.00 H new ATOM 0 HA GLU B 211 18.818 -0.233 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU B 211 17.794 -2.486 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU B 211 16.938 -1.939 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU B 211 19.818 -2.977 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU B 211 18.421 -3.900 -3.274 1.00 0.00 H new ATOM 1792 N CYS B 212 17.316 0.349 -0.253 1.00 0.00 N ATOM 1793 CA CYS B 212 16.310 1.268 0.380 1.00 0.00 C ATOM 1794 C CYS B 212 16.961 2.066 1.516 1.00 0.00 C ATOM 1795 O CYS B 212 16.335 2.956 2.094 1.00 0.00 O ATOM 1796 CB CYS B 212 15.108 0.475 0.919 1.00 0.00 C ATOM 1797 SG CYS B 212 15.663 -0.784 2.096 1.00 0.00 S ATOM 0 H CYS B 212 17.843 -0.233 0.399 1.00 0.00 H new ATOM 0 HA CYS B 212 15.954 1.960 -0.384 1.00 0.00 H new ATOM 0 HB2 CYS B 212 14.405 1.152 1.405 1.00 0.00 H new ATOM 0 HB3 CYS B 212 14.576 0.002 0.094 1.00 0.00 H new ATOM 0 HG CYS B 212 16.743 -1.352 1.647 1.00 0.00 H new ATOM 1802 N LYS B 213 18.189 1.742 1.827 1.00 0.00 N ATOM 1803 CA LYS B 213 18.925 2.460 2.928 1.00 0.00 C ATOM 1804 C LYS B 213 18.213 2.249 4.272 1.00 0.00 C ATOM 1805 O LYS B 213 18.066 3.170 5.076 1.00 0.00 O ATOM 1806 CB LYS B 213 19.067 3.973 2.614 1.00 0.00 C ATOM 1807 CG LYS B 213 20.396 4.268 1.875 1.00 0.00 C ATOM 1808 CD LYS B 213 21.437 4.830 2.858 1.00 0.00 C ATOM 1809 CE LYS B 213 21.803 3.769 3.901 1.00 0.00 C ATOM 1810 NZ LYS B 213 22.858 4.307 4.806 1.00 0.00 N1+ ATOM 0 H LYS B 213 18.724 1.006 1.366 1.00 0.00 H new ATOM 0 HA LYS B 213 19.928 2.039 2.996 1.00 0.00 H new ATOM 0 HB2 LYS B 213 18.227 4.301 2.002 1.00 0.00 H new ATOM 0 HB3 LYS B 213 19.028 4.545 3.541 1.00 0.00 H new ATOM 0 HG2 LYS B 213 20.775 3.355 1.415 1.00 0.00 H new ATOM 0 HG3 LYS B 213 20.222 4.982 1.070 1.00 0.00 H new ATOM 0 HD2 LYS B 213 22.330 5.141 2.316 1.00 0.00 H new ATOM 0 HD3 LYS B 213 21.040 5.716 3.353 1.00 0.00 H new ATOM 0 HE2 LYS B 213 20.921 3.491 4.478 1.00 0.00 H new ATOM 0 HE3 LYS B 213 22.159 2.865 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 213 23.107 3.588 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 213 23.702 4.551 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 213 22.502 5.158 5.287 1.00 0.00 H new ATOM 1824 N HIS B 214 17.791 1.036 4.510 1.00 0.00 N ATOM 1825 CA HIS B 214 17.104 0.734 5.811 1.00 0.00 C ATOM 1826 C HIS B 214 17.514 -0.646 6.321 1.00 0.00 C ATOM 1827 O HIS B 214 16.774 -1.614 6.148 1.00 0.00 O ATOM 1828 CB HIS B 214 15.584 0.744 5.616 1.00 0.00 C ATOM 1829 CG HIS B 214 14.919 0.821 6.963 1.00 0.00 C ATOM 1830 ND1 HIS B 214 14.999 -0.210 7.886 1.00 0.00 N ATOM 1831 CD2 HIS B 214 14.154 1.795 7.553 1.00 0.00 C ATOM 1832 CE1 HIS B 214 14.302 0.166 8.974 1.00 0.00 C ATOM 1833 NE2 HIS B 214 13.768 1.378 8.823 1.00 0.00 N ATOM 0 H HIS B 214 17.888 0.246 3.872 1.00 0.00 H new ATOM 0 HA HIS B 214 17.395 1.496 6.533 1.00 0.00 H new ATOM 0 HB2 HIS B 214 15.289 1.594 5.001 1.00 0.00 H new ATOM 0 HB3 HIS B 214 15.266 -0.156 5.090 1.00 0.00 H new ATOM 0 HD1 HIS B 214 15.495 -1.092 7.763 1.00 0.00 H new ATOM 0 HD2 HIS B 214 13.892 2.740 7.101 1.00 0.00 H new ATOM 0 HE1 HIS B 214 14.189 -0.440 9.861 1.00 0.00 H new ATOM 1841 N HIS B 215 18.680 -0.760 6.901 1.00 0.00 N ATOM 1842 CA HIS B 215 19.121 -2.110 7.350 1.00 0.00 C ATOM 1843 C HIS B 215 18.069 -2.700 8.266 1.00 0.00 C ATOM 1844 O HIS B 215 17.359 -1.987 8.974 1.00 0.00 O ATOM 1845 CB HIS B 215 20.433 -2.028 8.121 1.00 0.00 C ATOM 1846 CG HIS B 215 20.163 -2.035 9.592 1.00 0.00 C ATOM 1847 ND1 HIS B 215 19.712 -0.916 10.276 1.00 0.00 N ATOM 1848 CD2 HIS B 215 20.296 -3.023 10.528 1.00 0.00 C ATOM 1849 CE1 HIS B 215 19.588 -1.262 11.572 1.00 0.00 C ATOM 1850 NE2 HIS B 215 19.933 -2.535 11.777 1.00 0.00 N ATOM 0 H HIS B 215 19.331 0.004 7.080 1.00 0.00 H new ATOM 0 HA HIS B 215 19.263 -2.733 6.467 1.00 0.00 H new ATOM 0 HB2 HIS B 215 21.073 -2.870 7.856 1.00 0.00 H new ATOM 0 HB3 HIS B 215 20.970 -1.120 7.846 1.00 0.00 H new ATOM 0 HD1 HIS B 215 19.511 -0.001 9.873 1.00 0.00 H new ATOM 0 HD2 HIS B 215 20.632 -4.029 10.327 1.00 0.00 H new ATOM 0 HE1 HIS B 215 19.251 -0.592 12.349 1.00 0.00 H new ATOM 1858 N VAL B 216 17.982 -3.996 8.227 1.00 0.00 N ATOM 1859 CA VAL B 216 16.970 -4.702 9.081 1.00 0.00 C ATOM 1860 C VAL B 216 17.573 -5.991 9.623 1.00 0.00 C ATOM 1861 O VAL B 216 18.049 -6.803 8.851 1.00 0.00 O ATOM 1862 CB VAL B 216 15.732 -5.050 8.246 1.00 0.00 C ATOM 1863 CG1 VAL B 216 15.268 -3.828 7.453 1.00 0.00 C ATOM 1864 CG2 VAL B 216 16.073 -6.185 7.285 1.00 0.00 C ATOM 0 H VAL B 216 18.561 -4.603 7.646 1.00 0.00 H new ATOM 0 HA VAL B 216 16.684 -4.047 9.904 1.00 0.00 H new ATOM 0 HB VAL B 216 14.928 -5.362 8.913 1.00 0.00 H new ATOM 0 HG11 VAL B 216 14.388 -4.089 6.864 1.00 0.00 H new ATOM 0 HG12 VAL B 216 15.018 -3.021 8.142 1.00 0.00 H new ATOM 0 HG13 VAL B 216 16.067 -3.502 6.787 1.00 0.00 H new ATOM 0 HG21 VAL B 216 15.194 -6.434 6.690 1.00 0.00 H new ATOM 0 HG22 VAL B 216 16.882 -5.872 6.624 1.00 0.00 H new ATOM 0 HG23 VAL B 216 16.387 -7.061 7.853 1.00 0.00 H new ATOM 1874 N GLU B 217 17.528 -6.137 10.928 1.00 0.00 N ATOM 1875 CA GLU B 217 18.071 -7.353 11.654 1.00 0.00 C ATOM 1876 C GLU B 217 18.404 -8.533 10.710 1.00 0.00 C ATOM 1877 O GLU B 217 17.964 -9.658 10.943 1.00 0.00 O ATOM 1878 CB GLU B 217 17.021 -7.804 12.681 1.00 0.00 C ATOM 1879 CG GLU B 217 17.570 -8.930 13.563 1.00 0.00 C ATOM 1880 CD GLU B 217 16.601 -10.108 13.551 1.00 0.00 C ATOM 1881 OE1 GLU B 217 15.409 -9.869 13.642 1.00 0.00 O1- ATOM 1882 OE2 GLU B 217 17.068 -11.230 13.448 1.00 0.00 O ATOM 0 H GLU B 217 17.122 -5.439 11.551 1.00 0.00 H new ATOM 0 HA GLU B 217 19.008 -7.065 12.131 1.00 0.00 H new ATOM 0 HB2 GLU B 217 16.728 -6.958 13.303 1.00 0.00 H new ATOM 0 HB3 GLU B 217 16.124 -8.145 12.164 1.00 0.00 H new ATOM 0 HG2 GLU B 217 18.548 -9.247 13.199 1.00 0.00 H new ATOM 0 HG3 GLU B 217 17.710 -8.571 14.583 1.00 0.00 H new ATOM 1889 N THR B 218 19.142 -8.273 9.662 1.00 0.00 N ATOM 1890 CA THR B 218 19.494 -9.351 8.687 1.00 0.00 C ATOM 1891 C THR B 218 20.228 -8.731 7.490 1.00 0.00 C ATOM 1892 O THR B 218 19.866 -7.637 7.059 1.00 0.00 O ATOM 1893 CB THR B 218 18.202 -10.035 8.214 1.00 0.00 C ATOM 1894 OG1 THR B 218 17.923 -11.141 9.059 1.00 0.00 O ATOM 1895 CG2 THR B 218 18.339 -10.508 6.760 1.00 0.00 C ATOM 0 H THR B 218 19.520 -7.352 9.437 1.00 0.00 H new ATOM 0 HA THR B 218 20.143 -10.088 9.160 1.00 0.00 H new ATOM 0 HB THR B 218 17.383 -9.318 8.263 1.00 0.00 H new ATOM 0 HG1 THR B 218 17.889 -10.840 9.991 1.00 0.00 H new ATOM 0 HG21 THR B 218 17.413 -10.989 6.445 1.00 0.00 H new ATOM 0 HG22 THR B 218 18.540 -9.652 6.116 1.00 0.00 H new ATOM 0 HG23 THR B 218 19.162 -11.219 6.685 1.00 0.00 H new ATOM 1903 N ARG B 219 21.186 -9.425 6.907 1.00 0.00 N ATOM 1904 CA ARG B 219 21.844 -8.849 5.680 1.00 0.00 C ATOM 1905 C ARG B 219 22.416 -9.978 4.828 1.00 0.00 C ATOM 1906 O ARG B 219 23.221 -10.784 5.298 1.00 0.00 O ATOM 1907 CB ARG B 219 22.925 -7.765 6.030 1.00 0.00 C ATOM 1908 CG ARG B 219 24.130 -7.728 5.029 1.00 0.00 C ATOM 1909 CD ARG B 219 23.846 -6.818 3.812 1.00 0.00 C ATOM 1910 NE ARG B 219 24.516 -5.495 3.960 1.00 0.00 N ATOM 1911 CZ ARG B 219 25.767 -5.342 3.621 1.00 0.00 C ATOM 1912 NH1 ARG B 219 26.468 -6.361 3.199 1.00 0.00 N ATOM 1913 NH2 ARG B 219 26.317 -4.161 3.702 1.00 0.00 N ATOM 0 H ARG B 219 21.532 -10.334 7.214 1.00 0.00 H new ATOM 0 HA ARG B 219 21.084 -8.325 5.100 1.00 0.00 H new ATOM 0 HB2 ARG B 219 22.450 -6.784 6.049 1.00 0.00 H new ATOM 0 HB3 ARG B 219 23.304 -7.955 7.034 1.00 0.00 H new ATOM 0 HG2 ARG B 219 25.021 -7.372 5.547 1.00 0.00 H new ATOM 0 HG3 ARG B 219 24.345 -8.739 4.683 1.00 0.00 H new ATOM 0 HD2 ARG B 219 24.194 -7.305 2.901 1.00 0.00 H new ATOM 0 HD3 ARG B 219 22.771 -6.674 3.705 1.00 0.00 H new ATOM 0 HE ARG B 219 23.992 -4.702 4.330 1.00 0.00 H new ATOM 0 HH11 ARG B 219 26.038 -7.284 3.133 1.00 0.00 H new ATOM 0 HH12 ARG B 219 27.445 -6.234 2.936 1.00 0.00 H new ATOM 0 HH21 ARG B 219 25.770 -3.365 4.029 1.00 0.00 H new ATOM 0 HH22 ARG B 219 27.294 -4.034 3.439 1.00 0.00 H new ATOM 1927 N TRP B 220 22.010 -9.999 3.583 1.00 0.00 N ATOM 1928 CA TRP B 220 22.513 -11.038 2.640 1.00 0.00 C ATOM 1929 C TRP B 220 23.381 -10.370 1.573 1.00 0.00 C ATOM 1930 O TRP B 220 22.969 -9.391 0.948 1.00 0.00 O ATOM 1931 CB TRP B 220 21.325 -11.738 1.992 1.00 0.00 C ATOM 1932 CG TRP B 220 20.626 -12.543 3.030 1.00 0.00 C ATOM 1933 CD1 TRP B 220 19.497 -12.171 3.671 1.00 0.00 C ATOM 1934 CD2 TRP B 220 21.003 -13.837 3.566 1.00 0.00 C ATOM 1935 NE1 TRP B 220 19.153 -13.156 4.575 1.00 0.00 N ATOM 1936 CE2 TRP B 220 20.056 -14.216 4.548 1.00 0.00 C ATOM 1937 CE3 TRP B 220 22.070 -14.708 3.291 1.00 0.00 C ATOM 1938 CZ2 TRP B 220 20.172 -15.432 5.236 1.00 0.00 C ATOM 1939 CZ3 TRP B 220 22.188 -15.923 3.978 1.00 0.00 C ATOM 1940 CH2 TRP B 220 21.244 -16.284 4.948 1.00 0.00 C ATOM 0 H TRP B 220 21.348 -9.336 3.180 1.00 0.00 H new ATOM 0 HA TRP B 220 23.113 -11.774 3.175 1.00 0.00 H new ATOM 0 HB2 TRP B 220 20.644 -11.005 1.559 1.00 0.00 H new ATOM 0 HB3 TRP B 220 21.662 -12.380 1.178 1.00 0.00 H new ATOM 0 HD1 TRP B 220 18.953 -11.253 3.504 1.00 0.00 H new ATOM 0 HE1 TRP B 220 18.338 -13.113 5.187 1.00 0.00 H new ATOM 0 HE3 TRP B 220 22.804 -14.439 2.545 1.00 0.00 H new ATOM 0 HZ2 TRP B 220 19.441 -15.709 5.981 1.00 0.00 H new ATOM 0 HZ3 TRP B 220 23.012 -16.586 3.758 1.00 0.00 H new ATOM 0 HH2 TRP B 220 21.344 -17.222 5.475 1.00 0.00 H new ATOM 1951 N HIS B 221 24.570 -10.887 1.390 1.00 0.00 N ATOM 1952 CA HIS B 221 25.506 -10.295 0.387 1.00 0.00 C ATOM 1953 C HIS B 221 25.632 -11.234 -0.812 1.00 0.00 C ATOM 1954 O HIS B 221 26.213 -12.313 -0.712 1.00 0.00 O ATOM 1955 CB HIS B 221 26.880 -10.078 1.034 1.00 0.00 C ATOM 1956 CG HIS B 221 27.744 -9.251 0.116 1.00 0.00 C ATOM 1957 ND1 HIS B 221 28.226 -8.005 0.487 1.00 0.00 N ATOM 1958 CD2 HIS B 221 28.202 -9.458 -1.164 1.00 0.00 C ATOM 1959 CE1 HIS B 221 28.934 -7.516 -0.548 1.00 0.00 C ATOM 1960 NE2 HIS B 221 28.951 -8.361 -1.577 1.00 0.00 N ATOM 0 H HIS B 221 24.933 -11.696 1.894 1.00 0.00 H new ATOM 0 HA HIS B 221 25.118 -9.335 0.046 1.00 0.00 H new ATOM 0 HB2 HIS B 221 26.766 -9.575 1.994 1.00 0.00 H new ATOM 0 HB3 HIS B 221 27.356 -11.038 1.232 1.00 0.00 H new ATOM 0 HD1 HIS B 221 28.072 -7.542 1.383 1.00 0.00 H new ATOM 0 HD2 HIS B 221 28.009 -10.339 -1.759 1.00 0.00 H new ATOM 0 HE1 HIS B 221 29.428 -6.556 -0.544 1.00 0.00 H new ATOM 1968 N CYS B 222 25.088 -10.817 -1.926 1.00 0.00 N ATOM 1969 CA CYS B 222 25.141 -11.647 -3.167 1.00 0.00 C ATOM 1970 C CYS B 222 26.562 -11.609 -3.742 1.00 0.00 C ATOM 1971 O CYS B 222 27.132 -10.533 -3.911 1.00 0.00 O ATOM 1972 CB CYS B 222 24.130 -11.083 -4.182 1.00 0.00 C ATOM 1973 SG CYS B 222 24.207 -12.046 -5.704 1.00 0.00 S ATOM 0 H CYS B 222 24.603 -9.926 -2.030 1.00 0.00 H new ATOM 0 HA CYS B 222 24.884 -12.683 -2.944 1.00 0.00 H new ATOM 0 HB2 CYS B 222 23.123 -11.119 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS B 222 24.352 -10.036 -4.390 1.00 0.00 H new ATOM 0 HG CYS B 222 24.214 -11.243 -6.726 1.00 0.00 H new ATOM 1978 N THR B 223 27.133 -12.762 -4.042 1.00 0.00 N ATOM 1979 CA THR B 223 28.519 -12.769 -4.597 1.00 0.00 C ATOM 1980 C THR B 223 28.480 -12.449 -6.086 1.00 0.00 C ATOM 1981 O THR B 223 29.046 -11.446 -6.502 1.00 0.00 O ATOM 1982 CB THR B 223 29.168 -14.137 -4.384 1.00 0.00 C ATOM 1983 OG1 THR B 223 28.946 -14.564 -3.048 1.00 0.00 O ATOM 1984 CG2 THR B 223 30.675 -14.037 -4.640 1.00 0.00 C ATOM 0 H THR B 223 26.701 -13.679 -3.926 1.00 0.00 H new ATOM 0 HA THR B 223 29.108 -12.013 -4.078 1.00 0.00 H new ATOM 0 HB THR B 223 28.729 -14.856 -5.076 1.00 0.00 H new ATOM 0 HG1 THR B 223 29.360 -15.442 -2.912 1.00 0.00 H new ATOM 0 HG21 THR B 223 31.136 -15.013 -4.488 1.00 0.00 H new ATOM 0 HG22 THR B 223 30.849 -13.710 -5.665 1.00 0.00 H new ATOM 0 HG23 THR B 223 31.114 -13.317 -3.950 1.00 0.00 H new ATOM 1992 N VAL B 224 27.911 -13.327 -6.876 1.00 0.00 N ATOM 1993 CA VAL B 224 27.899 -13.134 -8.362 1.00 0.00 C ATOM 1994 C VAL B 224 27.868 -11.641 -8.728 1.00 0.00 C ATOM 1995 O VAL B 224 28.629 -11.194 -9.587 1.00 0.00 O ATOM 1996 CB VAL B 224 26.679 -13.873 -8.981 1.00 0.00 C ATOM 1997 CG1 VAL B 224 26.611 -13.685 -10.498 1.00 0.00 C ATOM 1998 CG2 VAL B 224 26.773 -15.368 -8.657 1.00 0.00 C ATOM 0 H VAL B 224 27.450 -14.177 -6.552 1.00 0.00 H new ATOM 0 HA VAL B 224 28.817 -13.557 -8.771 1.00 0.00 H new ATOM 0 HB VAL B 224 25.773 -13.447 -8.549 1.00 0.00 H new ATOM 0 HG11 VAL B 224 25.745 -14.217 -10.892 1.00 0.00 H new ATOM 0 HG12 VAL B 224 26.521 -12.624 -10.729 1.00 0.00 H new ATOM 0 HG13 VAL B 224 27.518 -14.081 -10.955 1.00 0.00 H new ATOM 0 HG21 VAL B 224 25.919 -15.889 -9.090 1.00 0.00 H new ATOM 0 HG22 VAL B 224 27.695 -15.774 -9.074 1.00 0.00 H new ATOM 0 HG23 VAL B 224 26.773 -15.507 -7.576 1.00 0.00 H new ATOM 2008 N CYS B 225 26.983 -10.896 -8.120 1.00 0.00 N ATOM 2009 CA CYS B 225 26.862 -9.438 -8.461 1.00 0.00 C ATOM 2010 C CYS B 225 27.912 -8.610 -7.709 1.00 0.00 C ATOM 2011 O CYS B 225 28.246 -7.500 -8.124 1.00 0.00 O ATOM 2012 CB CYS B 225 25.657 -9.178 -8.161 1.00 0.00 C ATOM 2013 SG CYS B 225 24.251 -10.054 -8.895 1.00 0.00 S ATOM 0 H CYS B 225 26.338 -11.228 -7.403 1.00 0.00 H new ATOM 0 HA CYS B 225 27.064 -9.191 -9.503 1.00 0.00 H new ATOM 0 HB2 CYS B 225 25.572 -9.304 -7.082 1.00 0.00 H new ATOM 0 HB3 CYS B 225 25.507 -8.119 -8.371 1.00 0.00 H new ATOM 0 HG CYS B 225 23.267 -10.084 -8.046 1.00 0.00 H new ATOM 2018 N GLU B 226 28.445 -9.175 -6.663 1.00 0.00 N ATOM 2019 CA GLU B 226 29.519 -8.501 -5.858 1.00 0.00 C ATOM 2020 C GLU B 226 29.115 -7.080 -5.442 1.00 0.00 C ATOM 2021 O GLU B 226 28.372 -6.391 -6.134 1.00 0.00 O ATOM 2022 CB GLU B 226 30.818 -8.449 -6.673 1.00 0.00 C ATOM 2023 CG GLU B 226 31.937 -7.806 -5.845 1.00 0.00 C ATOM 2024 CD GLU B 226 33.237 -7.804 -6.642 1.00 0.00 C ATOM 2025 OE1 GLU B 226 33.175 -8.051 -7.835 1.00 0.00 O ATOM 2026 OE2 GLU B 226 34.274 -7.553 -6.050 1.00 0.00 O1- ATOM 0 H GLU B 226 28.179 -10.098 -6.319 1.00 0.00 H new ATOM 0 HA GLU B 226 29.669 -9.084 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU B 226 31.109 -9.456 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU B 226 30.659 -7.879 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU B 226 31.663 -6.786 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU B 226 32.073 -8.354 -4.913 1.00 0.00 H new ATOM 2033 N ASP B 227 29.629 -6.669 -4.313 1.00 0.00 N ATOM 2034 CA ASP B 227 29.329 -5.299 -3.799 1.00 0.00 C ATOM 2035 C ASP B 227 27.835 -5.063 -3.855 1.00 0.00 C ATOM 2036 O ASP B 227 27.379 -3.924 -3.957 1.00 0.00 O ATOM 2037 CB ASP B 227 30.030 -4.235 -4.648 1.00 0.00 C ATOM 2038 CG ASP B 227 31.531 -4.268 -4.384 1.00 0.00 C ATOM 2039 OD1 ASP B 227 31.925 -4.860 -3.395 1.00 0.00 O1- ATOM 2040 OD2 ASP B 227 32.265 -3.693 -5.174 1.00 0.00 O ATOM 0 H ASP B 227 30.247 -7.225 -3.722 1.00 0.00 H new ATOM 0 HA ASP B 227 29.689 -5.226 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP B 227 29.834 -4.413 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP B 227 29.632 -3.248 -4.412 1.00 0.00 H new ATOM 2045 N TYR B 228 27.094 -6.129 -3.781 1.00 0.00 N ATOM 2046 CA TYR B 228 25.612 -6.005 -3.825 1.00 0.00 C ATOM 2047 C TYR B 228 25.082 -6.465 -2.476 1.00 0.00 C ATOM 2048 O TYR B 228 25.342 -7.594 -2.058 1.00 0.00 O ATOM 2049 CB TYR B 228 25.070 -6.878 -4.956 1.00 0.00 C ATOM 2050 CG TYR B 228 23.714 -6.381 -5.389 1.00 0.00 C ATOM 2051 CD1 TYR B 228 23.605 -5.158 -6.056 1.00 0.00 C ATOM 2052 CD2 TYR B 228 22.569 -7.149 -5.143 1.00 0.00 C ATOM 2053 CE1 TYR B 228 22.355 -4.694 -6.475 1.00 0.00 C ATOM 2054 CE2 TYR B 228 21.316 -6.686 -5.560 1.00 0.00 C ATOM 2055 CZ TYR B 228 21.209 -5.459 -6.227 1.00 0.00 C ATOM 2056 OH TYR B 228 19.974 -5.006 -6.643 1.00 0.00 O ATOM 0 H TYR B 228 27.449 -7.081 -3.692 1.00 0.00 H new ATOM 0 HA TYR B 228 25.298 -4.979 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR B 228 25.759 -6.862 -5.801 1.00 0.00 H new ATOM 0 HB3 TYR B 228 24.997 -7.914 -4.624 1.00 0.00 H new ATOM 0 HD1 TYR B 228 24.490 -4.569 -6.248 1.00 0.00 H new ATOM 0 HD2 TYR B 228 22.653 -8.097 -4.632 1.00 0.00 H new ATOM 0 HE1 TYR B 228 22.273 -3.748 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR B 228 20.431 -7.275 -5.368 1.00 0.00 H new ATOM 0 HH TYR B 228 19.285 -5.657 -6.393 1.00 0.00 H new ATOM 2066 N ASP B 229 24.368 -5.597 -1.801 1.00 0.00 N ATOM 2067 CA ASP B 229 23.821 -5.970 -0.447 1.00 0.00 C ATOM 2068 C ASP B 229 22.304 -5.793 -0.433 1.00 0.00 C ATOM 2069 O ASP B 229 21.775 -4.828 -0.982 1.00 0.00 O ATOM 2070 CB ASP B 229 24.501 -5.163 0.687 1.00 0.00 C ATOM 2071 CG ASP B 229 25.987 -5.477 0.719 1.00 0.00 C ATOM 2072 OD1 ASP B 229 26.315 -6.644 0.718 1.00 0.00 O ATOM 2073 OD2 ASP B 229 26.773 -4.542 0.739 1.00 0.00 O1- ATOM 0 H ASP B 229 24.139 -4.655 -2.120 1.00 0.00 H new ATOM 0 HA ASP B 229 24.048 -7.020 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP B 229 24.348 -4.095 0.529 1.00 0.00 H new ATOM 0 HB3 ASP B 229 24.046 -5.411 1.646 1.00 0.00 H new ATOM 2078 N LEU B 230 21.625 -6.750 0.160 1.00 0.00 N ATOM 2079 CA LEU B 230 20.129 -6.711 0.201 1.00 0.00 C ATOM 2080 C LEU B 230 19.596 -6.948 1.629 1.00 0.00 C ATOM 2081 O LEU B 230 20.181 -7.700 2.407 1.00 0.00 O ATOM 2082 CB LEU B 230 19.589 -7.795 -0.743 1.00 0.00 C ATOM 2083 CG LEU B 230 20.020 -7.499 -2.186 1.00 0.00 C ATOM 2084 CD1 LEU B 230 19.640 -8.675 -3.092 1.00 0.00 C ATOM 2085 CD2 LEU B 230 19.319 -6.234 -2.690 1.00 0.00 C ATOM 0 H LEU B 230 22.046 -7.558 0.618 1.00 0.00 H new ATOM 0 HA LEU B 230 19.792 -5.724 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU B 230 19.961 -8.773 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU B 230 18.501 -7.834 -0.681 1.00 0.00 H new ATOM 0 HG LEU B 230 21.100 -7.352 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU B 230 19.948 -8.460 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU B 230 20.141 -9.579 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU B 230 18.561 -8.824 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU B 230 19.629 -6.030 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU B 230 18.239 -6.380 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU B 230 19.589 -5.391 -2.054 1.00 0.00 H new ATOM 2097 N CYS B 231 18.470 -6.325 1.933 1.00 0.00 N ATOM 2098 CA CYS B 231 17.823 -6.502 3.288 1.00 0.00 C ATOM 2099 C CYS B 231 16.645 -7.477 3.150 1.00 0.00 C ATOM 2100 O CYS B 231 16.418 -8.033 2.075 1.00 0.00 O ATOM 2101 CB CYS B 231 17.349 -5.193 3.808 1.00 0.00 C ATOM 2102 SG CYS B 231 16.014 -4.468 2.828 1.00 0.00 S ATOM 0 H CYS B 231 17.970 -5.700 1.300 1.00 0.00 H new ATOM 0 HA CYS B 231 18.552 -6.904 3.992 1.00 0.00 H new ATOM 0 HB2 CYS B 231 17.007 -5.321 4.835 1.00 0.00 H new ATOM 0 HB3 CYS B 231 18.187 -4.497 3.836 1.00 0.00 H new ATOM 0 HG CYS B 231 16.175 -3.180 2.761 1.00 0.00 H new ATOM 2107 N ILE B 232 15.927 -7.689 4.228 1.00 0.00 N ATOM 2108 CA ILE B 232 14.766 -8.637 4.207 1.00 0.00 C ATOM 2109 C ILE B 232 13.638 -8.082 3.310 1.00 0.00 C ATOM 2110 O ILE B 232 12.835 -8.831 2.757 1.00 0.00 O ATOM 2111 CB ILE B 232 14.248 -8.840 5.643 1.00 0.00 C ATOM 2112 CG1 ILE B 232 15.275 -9.625 6.471 1.00 0.00 C ATOM 2113 CG2 ILE B 232 12.905 -9.585 5.633 1.00 0.00 C ATOM 2114 CD1 ILE B 232 14.783 -9.846 7.905 1.00 0.00 C ATOM 0 H ILE B 232 16.097 -7.242 5.129 1.00 0.00 H new ATOM 0 HA ILE B 232 15.091 -9.594 3.800 1.00 0.00 H new ATOM 0 HB ILE B 232 14.100 -7.860 6.096 1.00 0.00 H new ATOM 0 HG12 ILE B 232 15.467 -10.588 5.998 1.00 0.00 H new ATOM 0 HG13 ILE B 232 16.221 -9.084 6.488 1.00 0.00 H new ATOM 0 HG21 ILE B 232 12.556 -9.719 6.657 1.00 0.00 H new ATOM 0 HG22 ILE B 232 12.172 -9.006 5.072 1.00 0.00 H new ATOM 0 HG23 ILE B 232 13.033 -10.560 5.163 1.00 0.00 H new ATOM 0 HD11 ILE B 232 15.533 -10.405 8.465 1.00 0.00 H new ATOM 0 HD12 ILE B 232 14.616 -8.882 8.385 1.00 0.00 H new ATOM 0 HD13 ILE B 232 13.850 -10.409 7.887 1.00 0.00 H new ATOM 2126 N ASN B 233 13.592 -6.784 3.181 1.00 0.00 N ATOM 2127 CA ASN B 233 12.530 -6.140 2.338 1.00 0.00 C ATOM 2128 C ASN B 233 12.839 -6.264 0.843 1.00 0.00 C ATOM 2129 O ASN B 233 12.028 -6.783 0.076 1.00 0.00 O ATOM 2130 CB ASN B 233 12.396 -4.656 2.706 1.00 0.00 C ATOM 2131 CG ASN B 233 12.141 -4.499 4.207 1.00 0.00 C ATOM 2132 OD1 ASN B 233 12.747 -3.639 4.848 1.00 0.00 O ATOM 2133 ND2 ASN B 233 11.279 -5.272 4.807 1.00 0.00 N ATOM 0 H ASN B 233 14.244 -6.135 3.622 1.00 0.00 H new ATOM 0 HA ASN B 233 11.593 -6.661 2.537 1.00 0.00 H new ATOM 0 HB2 ASN B 233 13.305 -4.122 2.427 1.00 0.00 H new ATOM 0 HB3 ASN B 233 11.578 -4.208 2.143 1.00 0.00 H new ATOM 0 HD21 ASN B 233 11.107 -5.164 5.807 1.00 0.00 H new ATOM 0 HD22 ASN B 233 10.777 -5.984 4.277 1.00 0.00 H new ATOM 2140 N CYS B 234 13.958 -5.740 0.434 1.00 0.00 N ATOM 2141 CA CYS B 234 14.307 -5.753 -1.022 1.00 0.00 C ATOM 2142 C CYS B 234 14.409 -7.204 -1.506 1.00 0.00 C ATOM 2143 O CYS B 234 13.942 -7.544 -2.592 1.00 0.00 O ATOM 2144 CB CYS B 234 15.373 -5.093 -1.061 1.00 0.00 C ATOM 2145 SG CYS B 234 15.508 -3.338 -0.674 1.00 0.00 S ATOM 0 H CYS B 234 14.650 -5.302 1.041 1.00 0.00 H new ATOM 0 HA CYS B 234 13.572 -5.310 -1.695 1.00 0.00 H new ATOM 0 HB2 CYS B 234 16.067 -5.603 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS B 234 15.762 -5.209 -2.073 1.00 0.00 H new ATOM 0 HG CYS B 234 15.713 -3.189 0.601 1.00 0.00 H new ATOM 2150 N TYR B 235 15.016 -8.026 -0.704 1.00 0.00 N ATOM 2151 CA TYR B 235 15.179 -9.466 -1.061 1.00 0.00 C ATOM 2152 C TYR B 235 13.824 -10.134 -1.284 1.00 0.00 C ATOM 2153 O TYR B 235 13.625 -10.834 -2.277 1.00 0.00 O ATOM 2154 CB TYR B 235 15.934 -10.195 0.053 1.00 0.00 C ATOM 2155 CG TYR B 235 15.806 -11.685 -0.150 1.00 0.00 C ATOM 2156 CD1 TYR B 235 16.494 -12.300 -1.204 1.00 0.00 C ATOM 2157 CD2 TYR B 235 15.002 -12.452 0.703 1.00 0.00 C ATOM 2158 CE1 TYR B 235 16.381 -13.680 -1.404 1.00 0.00 C ATOM 2159 CE2 TYR B 235 14.889 -13.834 0.503 1.00 0.00 C ATOM 2160 CZ TYR B 235 15.578 -14.447 -0.552 1.00 0.00 C ATOM 2161 OH TYR B 235 15.466 -15.806 -0.750 1.00 0.00 O ATOM 0 H TYR B 235 15.413 -7.762 0.198 1.00 0.00 H new ATOM 0 HA TYR B 235 15.748 -9.524 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR B 235 16.985 -9.904 0.046 1.00 0.00 H new ATOM 0 HB3 TYR B 235 15.531 -9.913 1.026 1.00 0.00 H new ATOM 0 HD1 TYR B 235 17.112 -11.708 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR B 235 14.470 -11.978 1.514 1.00 0.00 H new ATOM 0 HE1 TYR B 235 16.913 -14.153 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR B 235 14.271 -14.427 1.162 1.00 0.00 H new ATOM 0 HH TYR B 235 14.872 -16.188 -0.071 1.00 0.00 H new ATOM 2171 N ASN B 236 12.913 -9.920 -0.382 1.00 0.00 N ATOM 2172 CA ASN B 236 11.560 -10.533 -0.516 1.00 0.00 C ATOM 2173 C ASN B 236 10.809 -9.929 -1.706 1.00 0.00 C ATOM 2174 O ASN B 236 10.120 -10.636 -2.440 1.00 0.00 O ATOM 2175 CB ASN B 236 10.754 -10.309 0.771 1.00 0.00 C ATOM 2176 CG ASN B 236 9.329 -10.834 0.604 1.00 0.00 C ATOM 2177 OD1 ASN B 236 9.108 -12.125 0.598 1.00 0.00 O ATOM 2178 ND2 ASN B 236 8.392 -10.049 0.463 1.00 0.00 N ATOM 0 H ASN B 236 13.045 -9.344 0.449 1.00 0.00 H new ATOM 0 HA ASN B 236 11.682 -11.603 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN B 236 11.240 -10.816 1.605 1.00 0.00 H new ATOM 0 HB3 ASN B 236 10.731 -9.247 1.013 1.00 0.00 H new ATOM 0 HD21 ASN B 236 7.443 -10.404 0.342 1.00 0.00 H new ATOM 0 HD22 ASN B 236 8.564 -9.044 0.468 1.00 0.00 H new ATOM 2185 N THR B 237 10.919 -8.638 -1.865 1.00 0.00 N ATOM 2186 CA THR B 237 10.189 -7.959 -2.976 1.00 0.00 C ATOM 2187 C THR B 237 10.874 -8.204 -4.323 1.00 0.00 C ATOM 2188 O THR B 237 10.225 -8.603 -5.290 1.00 0.00 O ATOM 2189 CB THR B 237 10.127 -6.451 -2.710 1.00 0.00 C ATOM 2190 OG1 THR B 237 11.448 -5.952 -2.551 1.00 0.00 O ATOM 2191 CG2 THR B 237 9.323 -6.178 -1.435 1.00 0.00 C ATOM 0 H THR B 237 11.481 -8.024 -1.275 1.00 0.00 H new ATOM 0 HA THR B 237 9.182 -8.374 -3.019 1.00 0.00 H new ATOM 0 HB THR B 237 9.641 -5.955 -3.551 1.00 0.00 H new ATOM 0 HG1 THR B 237 11.759 -6.135 -1.640 1.00 0.00 H new ATOM 0 HG21 THR B 237 9.283 -5.104 -1.253 1.00 0.00 H new ATOM 0 HG22 THR B 237 8.310 -6.563 -1.554 1.00 0.00 H new ATOM 0 HG23 THR B 237 9.802 -6.672 -0.590 1.00 0.00 H new ATOM 2199 N LYS B 238 12.153 -7.956 -4.387 1.00 0.00 N ATOM 2200 CA LYS B 238 12.889 -8.157 -5.684 1.00 0.00 C ATOM 2201 C LYS B 238 12.962 -9.644 -6.032 1.00 0.00 C ATOM 2202 O LYS B 238 12.808 -10.016 -7.195 1.00 0.00 O ATOM 2203 CB LYS B 238 14.308 -7.586 -5.601 1.00 0.00 C ATOM 2204 CG LYS B 238 14.242 -6.094 -5.246 1.00 0.00 C ATOM 2205 CD LYS B 238 13.706 -5.274 -6.429 1.00 0.00 C ATOM 2206 CE LYS B 238 13.728 -3.776 -6.109 1.00 0.00 C ATOM 2207 NZ LYS B 238 13.242 -3.004 -7.283 1.00 0.00 N1+ ATOM 0 H LYS B 238 12.723 -7.625 -3.609 1.00 0.00 H new ATOM 0 HA LYS B 238 12.340 -7.629 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS B 238 14.884 -8.124 -4.848 1.00 0.00 H new ATOM 0 HB3 LYS B 238 14.822 -7.721 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS B 238 13.599 -5.951 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS B 238 15.234 -5.737 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS B 238 14.309 -5.470 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS B 238 12.688 -5.586 -6.661 1.00 0.00 H new ATOM 0 HE2 LYS B 238 13.100 -3.571 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS B 238 14.740 -3.465 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 238 13.259 -1.988 -7.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 238 13.858 -3.190 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 238 12.269 -3.293 -7.510 1.00 0.00 H new ATOM 2221 N SER B 239 13.216 -10.476 -5.048 1.00 0.00 N ATOM 2222 CA SER B 239 13.331 -11.942 -5.318 1.00 0.00 C ATOM 2223 C SER B 239 14.710 -12.236 -5.914 1.00 0.00 C ATOM 2224 O SER B 239 14.837 -12.970 -6.895 1.00 0.00 O ATOM 2225 CB SER B 239 12.231 -12.389 -6.286 1.00 0.00 C ATOM 2226 OG SER B 239 12.770 -12.517 -7.597 1.00 0.00 O ATOM 0 H SER B 239 13.348 -10.203 -4.074 1.00 0.00 H new ATOM 0 HA SER B 239 13.213 -12.493 -4.385 1.00 0.00 H new ATOM 0 HB2 SER B 239 11.811 -13.341 -5.960 1.00 0.00 H new ATOM 0 HB3 SER B 239 11.417 -11.665 -6.286 1.00 0.00 H new ATOM 0 HG SER B 239 13.461 -13.212 -7.600 1.00 0.00 H new ATOM 2232 N HIS B 240 15.726 -11.658 -5.330 1.00 0.00 N ATOM 2233 CA HIS B 240 17.120 -11.857 -5.838 1.00 0.00 C ATOM 2234 C HIS B 240 17.765 -13.036 -5.115 1.00 0.00 C ATOM 2235 O HIS B 240 18.210 -12.891 -3.976 1.00 0.00 O ATOM 2236 CB HIS B 240 17.956 -10.571 -5.450 1.00 0.00 C ATOM 2237 CG HIS B 240 19.208 -10.531 -6.281 1.00 0.00 C ATOM 2238 ND1 HIS B 240 19.221 -9.980 -7.558 1.00 0.00 N ATOM 2239 CD2 HIS B 240 20.511 -10.870 -6.001 1.00 0.00 C ATOM 2240 CE1 HIS B 240 20.495 -9.983 -7.989 1.00 0.00 C ATOM 2241 NE2 HIS B 240 21.312 -10.503 -7.073 1.00 0.00 N ATOM 0 H HIS B 240 15.651 -11.050 -4.514 1.00 0.00 H new ATOM 0 HA HIS B 240 17.100 -12.033 -6.914 1.00 0.00 H new ATOM 0 HB2 HIS B 240 17.363 -9.672 -5.619 1.00 0.00 H new ATOM 0 HB3 HIS B 240 18.208 -10.592 -4.390 1.00 0.00 H new ATOM 0 HD1 HIS B 240 18.411 -9.636 -8.074 1.00 0.00 H new ATOM 0 HD2 HIS B 240 20.855 -11.345 -5.094 1.00 0.00 H new ATOM 0 HE1 HIS B 240 20.814 -9.612 -8.952 1.00 0.00 H new ATOM 2249 N ALA B 241 17.805 -14.191 -5.733 1.00 0.00 N ATOM 2250 CA ALA B 241 18.413 -15.360 -5.021 1.00 0.00 C ATOM 2251 C ALA B 241 19.944 -15.265 -5.051 1.00 0.00 C ATOM 2252 O ALA B 241 20.523 -14.585 -4.209 1.00 0.00 O ATOM 2253 CB ALA B 241 17.962 -16.656 -5.701 1.00 0.00 C ATOM 0 H ALA B 241 17.454 -14.374 -6.673 1.00 0.00 H new ATOM 0 HA ALA B 241 18.084 -15.356 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA B 241 18.402 -17.510 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA B 241 16.875 -16.729 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA B 241 18.287 -16.653 -6.741 1.00 0.00 H new ATOM 2259 N HIS B 242 20.582 -15.945 -5.982 1.00 0.00 N ATOM 2260 CA HIS B 242 22.069 -15.943 -6.060 1.00 0.00 C ATOM 2261 C HIS B 242 22.635 -16.399 -4.711 1.00 0.00 C ATOM 2262 O HIS B 242 22.368 -15.799 -3.683 1.00 0.00 O ATOM 2263 CB HIS B 242 22.695 -14.582 -6.470 1.00 0.00 C ATOM 2264 CG HIS B 242 22.197 -14.280 -7.864 1.00 0.00 C ATOM 2265 ND1 HIS B 242 22.538 -13.126 -8.543 1.00 0.00 N ATOM 2266 CD2 HIS B 242 21.353 -14.964 -8.710 1.00 0.00 C ATOM 2267 CE1 HIS B 242 21.914 -13.126 -9.730 1.00 0.00 C ATOM 2268 NE2 HIS B 242 21.177 -14.230 -9.885 1.00 0.00 N ATOM 0 H HIS B 242 20.121 -16.507 -6.698 1.00 0.00 H new ATOM 0 HA HIS B 242 22.339 -16.633 -6.859 1.00 0.00 H new ATOM 0 HB2 HIS B 242 22.401 -13.795 -5.775 1.00 0.00 H new ATOM 0 HB3 HIS B 242 23.784 -14.635 -6.450 1.00 0.00 H new ATOM 0 HD1 HIS B 242 23.161 -12.395 -8.199 1.00 0.00 H new ATOM 0 HD2 HIS B 242 20.898 -15.920 -8.498 1.00 0.00 H new ATOM 0 HE1 HIS B 242 21.996 -12.338 -10.464 1.00 0.00 H new ATOM 2276 N LYS B 243 23.362 -17.486 -4.708 1.00 0.00 N ATOM 2277 CA LYS B 243 23.905 -18.022 -3.417 1.00 0.00 C ATOM 2278 C LYS B 243 24.504 -16.903 -2.568 1.00 0.00 C ATOM 2279 O LYS B 243 25.669 -16.534 -2.728 1.00 0.00 O ATOM 2280 CB LYS B 243 24.980 -19.071 -3.703 1.00 0.00 C ATOM 2281 CG LYS B 243 25.468 -19.699 -2.392 1.00 0.00 C ATOM 2282 CD LYS B 243 26.508 -20.788 -2.689 1.00 0.00 C ATOM 2283 CE LYS B 243 27.004 -21.434 -1.388 1.00 0.00 C ATOM 2284 NZ LYS B 243 28.001 -22.503 -1.687 1.00 0.00 N1+ ATOM 0 H LYS B 243 23.604 -18.026 -5.538 1.00 0.00 H new ATOM 0 HA LYS B 243 23.082 -18.476 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS B 243 24.579 -19.844 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS B 243 25.817 -18.611 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS B 243 25.904 -18.932 -1.752 1.00 0.00 H new ATOM 0 HG3 LYS B 243 24.626 -20.127 -1.848 1.00 0.00 H new ATOM 0 HD2 LYS B 243 26.070 -21.549 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS B 243 27.350 -20.356 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS B 243 27.454 -20.676 -0.747 1.00 0.00 H new ATOM 0 HE3 LYS B 243 26.162 -21.856 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 243 28.328 -22.931 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 243 27.559 -23.233 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 243 28.812 -22.090 -2.191 1.00 0.00 H new ATOM 2298 N MET B 244 23.701 -16.375 -1.686 1.00 0.00 N ATOM 2299 CA MET B 244 24.176 -15.269 -0.805 1.00 0.00 C ATOM 2300 C MET B 244 24.784 -15.837 0.466 1.00 0.00 C ATOM 2301 O MET B 244 24.392 -16.905 0.935 1.00 0.00 O ATOM 2302 CB MET B 244 23.028 -14.334 -0.438 1.00 0.00 C ATOM 2303 CG MET B 244 22.220 -14.053 -1.688 1.00 0.00 C ATOM 2304 SD MET B 244 21.160 -12.614 -1.413 1.00 0.00 S ATOM 2305 CE MET B 244 19.814 -13.474 -0.569 1.00 0.00 C ATOM 0 H MET B 244 22.734 -16.662 -1.536 1.00 0.00 H new ATOM 0 HA MET B 244 24.930 -14.704 -1.352 1.00 0.00 H new ATOM 0 HB2 MET B 244 22.398 -14.789 0.326 1.00 0.00 H new ATOM 0 HB3 MET B 244 23.415 -13.405 -0.020 1.00 0.00 H new ATOM 0 HG2 MET B 244 22.887 -13.871 -2.531 1.00 0.00 H new ATOM 0 HG3 MET B 244 21.613 -14.921 -1.944 1.00 0.00 H new ATOM 0 HE1 MET B 244 19.142 -12.744 -0.118 1.00 0.00 H new ATOM 0 HE2 MET B 244 19.262 -14.080 -1.288 1.00 0.00 H new ATOM 0 HE3 MET B 244 20.225 -14.118 0.209 1.00 0.00 H new ATOM 2315 N VAL B 245 25.713 -15.105 1.019 1.00 0.00 N ATOM 2316 CA VAL B 245 26.366 -15.546 2.286 1.00 0.00 C ATOM 2317 C VAL B 245 26.031 -14.526 3.377 1.00 0.00 C ATOM 2318 O VAL B 245 26.345 -13.343 3.248 1.00 0.00 O ATOM 2319 CB VAL B 245 27.885 -15.645 2.074 1.00 0.00 C ATOM 2320 CG1 VAL B 245 28.222 -17.003 1.456 1.00 0.00 C ATOM 2321 CG2 VAL B 245 28.355 -14.539 1.121 1.00 0.00 C ATOM 0 H VAL B 245 26.049 -14.217 0.647 1.00 0.00 H new ATOM 0 HA VAL B 245 26.003 -16.529 2.586 1.00 0.00 H new ATOM 0 HB VAL B 245 28.385 -15.534 3.036 1.00 0.00 H new ATOM 0 HG11 VAL B 245 29.299 -17.077 1.304 1.00 0.00 H new ATOM 0 HG12 VAL B 245 27.895 -17.799 2.125 1.00 0.00 H new ATOM 0 HG13 VAL B 245 27.713 -17.103 0.497 1.00 0.00 H new ATOM 0 HG21 VAL B 245 29.433 -14.617 0.977 1.00 0.00 H new ATOM 0 HG22 VAL B 245 27.851 -14.648 0.161 1.00 0.00 H new ATOM 0 HG23 VAL B 245 28.116 -13.565 1.548 1.00 0.00 H new ATOM 2331 N LYS B 246 25.404 -14.986 4.434 1.00 0.00 N ATOM 2332 CA LYS B 246 25.031 -14.055 5.545 1.00 0.00 C ATOM 2333 C LYS B 246 26.322 -13.544 6.171 1.00 0.00 C ATOM 2334 O LYS B 246 27.131 -14.332 6.656 1.00 0.00 O ATOM 2335 CB LYS B 246 24.166 -14.829 6.590 1.00 0.00 C ATOM 2336 CG LYS B 246 24.119 -14.117 7.975 1.00 0.00 C ATOM 2337 CD LYS B 246 23.326 -12.795 7.888 1.00 0.00 C ATOM 2338 CE LYS B 246 21.978 -12.893 8.635 1.00 0.00 C ATOM 2339 NZ LYS B 246 20.925 -12.199 7.845 1.00 0.00 N1+ ATOM 0 H LYS B 246 25.136 -15.960 4.575 1.00 0.00 H new ATOM 0 HA LYS B 246 24.445 -13.211 5.181 1.00 0.00 H new ATOM 0 HB2 LYS B 246 23.151 -14.938 6.207 1.00 0.00 H new ATOM 0 HB3 LYS B 246 24.568 -15.834 6.716 1.00 0.00 H new ATOM 0 HG2 LYS B 246 23.657 -14.775 8.711 1.00 0.00 H new ATOM 0 HG3 LYS B 246 25.133 -13.915 8.319 1.00 0.00 H new ATOM 0 HD2 LYS B 246 23.920 -11.985 8.312 1.00 0.00 H new ATOM 0 HD3 LYS B 246 23.146 -12.545 6.842 1.00 0.00 H new ATOM 0 HE2 LYS B 246 21.707 -13.938 8.784 1.00 0.00 H new ATOM 0 HE3 LYS B 246 22.064 -12.442 9.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 246 20.000 -12.630 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 246 20.902 -11.193 8.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 246 21.136 -12.289 6.831 1.00 0.00 H new ATOM 2353 N TRP B 247 26.488 -12.241 6.195 1.00 0.00 N ATOM 2354 CA TRP B 247 27.709 -11.655 6.809 1.00 0.00 C ATOM 2355 C TRP B 247 27.295 -10.832 8.015 1.00 0.00 C ATOM 2356 O TRP B 247 26.371 -10.025 7.944 1.00 0.00 O ATOM 2357 CB TRP B 247 28.427 -10.734 5.808 1.00 0.00 C ATOM 2358 CG TRP B 247 28.997 -11.507 4.644 1.00 0.00 C ATOM 2359 CD1 TRP B 247 29.107 -12.858 4.548 1.00 0.00 C ATOM 2360 CD2 TRP B 247 29.556 -10.973 3.407 1.00 0.00 C ATOM 2361 NE1 TRP B 247 29.671 -13.175 3.326 1.00 0.00 N ATOM 2362 CE2 TRP B 247 29.967 -12.055 2.592 1.00 0.00 C ATOM 2363 CE3 TRP B 247 29.738 -9.669 2.914 1.00 0.00 C ATOM 2364 CZ2 TRP B 247 30.533 -11.855 1.340 1.00 0.00 C ATOM 2365 CZ3 TRP B 247 30.315 -9.463 1.651 1.00 0.00 C ATOM 2366 CH2 TRP B 247 30.711 -10.554 0.863 1.00 0.00 C ATOM 0 H TRP B 247 25.827 -11.564 5.814 1.00 0.00 H new ATOM 0 HA TRP B 247 28.385 -12.460 7.099 1.00 0.00 H new ATOM 0 HB2 TRP B 247 27.728 -9.984 5.439 1.00 0.00 H new ATOM 0 HB3 TRP B 247 29.229 -10.199 6.317 1.00 0.00 H new ATOM 0 HD1 TRP B 247 28.803 -13.568 5.303 1.00 0.00 H new ATOM 0 HE1 TRP B 247 29.846 -14.128 3.008 1.00 0.00 H new ATOM 0 HE3 TRP B 247 29.432 -8.822 3.510 1.00 0.00 H new ATOM 0 HZ2 TRP B 247 30.834 -12.700 0.739 1.00 0.00 H new ATOM 0 HZ3 TRP B 247 30.455 -8.457 1.283 1.00 0.00 H new ATOM 0 HH2 TRP B 247 31.152 -10.389 -0.109 1.00 0.00 H new ATOM 2377 N GLY B 248 27.975 -11.039 9.100 1.00 0.00 N ATOM 2378 CA GLY B 248 27.654 -10.288 10.340 1.00 0.00 C ATOM 2379 C GLY B 248 28.929 -10.165 11.169 1.00 0.00 C ATOM 2380 O GLY B 248 29.933 -10.812 10.870 1.00 0.00 O ATOM 0 H GLY B 248 28.746 -11.701 9.184 1.00 0.00 H new ATOM 0 HA2 GLY B 248 27.263 -9.300 10.095 1.00 0.00 H new ATOM 0 HA3 GLY B 248 26.880 -10.805 10.908 1.00 0.00 H new ATOM 2384 N LEU B 249 28.889 -9.354 12.187 1.00 0.00 N ATOM 2385 CA LEU B 249 30.107 -9.185 13.036 1.00 0.00 C ATOM 2386 C LEU B 249 29.744 -8.468 14.347 1.00 0.00 C ATOM 2387 O LEU B 249 30.592 -7.786 14.925 1.00 0.00 O ATOM 2388 CB LEU B 249 31.173 -8.373 12.280 1.00 0.00 C ATOM 2389 CG LEU B 249 30.548 -7.160 11.583 1.00 0.00 C ATOM 2390 CD1 LEU B 249 31.292 -5.895 12.006 1.00 0.00 C ATOM 2391 CD2 LEU B 249 30.673 -7.332 10.065 1.00 0.00 C ATOM 0 H LEU B 249 28.077 -8.805 12.469 1.00 0.00 H new ATOM 0 HA LEU B 249 30.508 -10.172 13.268 1.00 0.00 H new ATOM 0 HB2 LEU B 249 31.943 -8.040 12.976 1.00 0.00 H new ATOM 0 HB3 LEU B 249 31.663 -9.008 11.542 1.00 0.00 H new ATOM 0 HG LEU B 249 29.497 -7.079 11.861 1.00 0.00 H new ATOM 0 HD11 LEU B 249 30.850 -5.030 11.512 1.00 0.00 H new ATOM 0 HD12 LEU B 249 31.217 -5.773 13.087 1.00 0.00 H new ATOM 0 HD13 LEU B 249 32.341 -5.978 11.722 1.00 0.00 H new ATOM 0 HD21 LEU B 249 30.230 -6.472 9.564 1.00 0.00 H new ATOM 0 HD22 LEU B 249 31.726 -7.408 9.793 1.00 0.00 H new ATOM 0 HD23 LEU B 249 30.152 -8.239 9.758 1.00 0.00 H new ATOM 2403 N GLY B 250 28.505 -8.602 14.801 1.00 0.00 N ATOM 2404 CA GLY B 250 28.083 -7.906 16.065 1.00 0.00 C ATOM 2405 C GLY B 250 27.720 -8.904 17.166 1.00 0.00 C ATOM 2406 O GLY B 250 28.288 -9.995 17.257 1.00 0.00 O ATOM 0 H GLY B 250 27.779 -9.159 14.351 1.00 0.00 H new ATOM 0 HA2 GLY B 250 28.889 -7.260 16.411 1.00 0.00 H new ATOM 0 HA3 GLY B 250 27.226 -7.264 15.859 1.00 0.00 H new ATOM 2410 N LEU B 251 26.788 -8.504 18.000 1.00 0.00 N ATOM 2411 CA LEU B 251 26.353 -9.374 19.137 1.00 0.00 C ATOM 2412 C LEU B 251 24.962 -9.929 18.826 1.00 0.00 C ATOM 2413 O LEU B 251 24.030 -9.170 18.567 1.00 0.00 O ATOM 2414 CB LEU B 251 26.282 -8.565 20.449 1.00 0.00 C ATOM 2415 CG LEU B 251 26.767 -7.118 20.247 1.00 0.00 C ATOM 2416 CD1 LEU B 251 25.659 -6.292 19.585 1.00 0.00 C ATOM 2417 CD2 LEU B 251 27.096 -6.501 21.610 1.00 0.00 C ATOM 0 H LEU B 251 26.308 -7.606 17.940 1.00 0.00 H new ATOM 0 HA LEU B 251 27.075 -10.181 19.260 1.00 0.00 H new ATOM 0 HB2 LEU B 251 25.256 -8.558 20.818 1.00 0.00 H new ATOM 0 HB3 LEU B 251 26.892 -9.051 21.211 1.00 0.00 H new ATOM 0 HG LEU B 251 27.654 -7.120 19.613 1.00 0.00 H new ATOM 0 HD11 LEU B 251 26.004 -5.268 19.443 1.00 0.00 H new ATOM 0 HD12 LEU B 251 25.409 -6.728 18.618 1.00 0.00 H new ATOM 0 HD13 LEU B 251 24.775 -6.292 20.223 1.00 0.00 H new ATOM 0 HD21 LEU B 251 27.440 -5.476 21.472 1.00 0.00 H new ATOM 0 HD22 LEU B 251 26.203 -6.503 22.235 1.00 0.00 H new ATOM 0 HD23 LEU B 251 27.879 -7.084 22.094 1.00 0.00 H new ATOM 2429 N ASP B 252 24.828 -11.231 18.848 1.00 0.00 N ATOM 2430 CA ASP B 252 23.500 -11.850 18.546 1.00 0.00 C ATOM 2431 C ASP B 252 22.707 -12.039 19.832 1.00 0.00 C ATOM 2432 O ASP B 252 23.044 -12.882 20.664 1.00 0.00 O ATOM 2433 CB ASP B 252 23.689 -13.197 17.845 1.00 0.00 C ATOM 2434 CG ASP B 252 22.345 -13.714 17.348 1.00 0.00 C ATOM 2435 OD1 ASP B 252 21.471 -13.926 18.174 1.00 0.00 O ATOM 2436 OD2 ASP B 252 22.205 -13.889 16.149 1.00 0.00 O1- ATOM 0 H ASP B 252 25.577 -11.890 19.061 1.00 0.00 H new ATOM 0 HA ASP B 252 22.947 -11.184 17.883 1.00 0.00 H new ATOM 0 HB2 ASP B 252 24.379 -13.088 17.008 1.00 0.00 H new ATOM 0 HB3 ASP B 252 24.134 -13.916 18.533 1.00 0.00 H new ATOM 2441 N ASP B 253 21.670 -11.257 19.975 1.00 0.00 N ATOM 2442 CA ASP B 253 20.817 -11.353 21.194 1.00 0.00 C ATOM 2443 C ASP B 253 19.897 -10.139 21.257 1.00 0.00 C ATOM 2444 O ASP B 253 19.936 -9.277 20.382 1.00 0.00 O ATOM 2445 CB ASP B 253 21.691 -11.406 22.446 1.00 0.00 C ATOM 2446 CG ASP B 253 20.948 -10.794 23.626 1.00 0.00 C ATOM 2447 OD1 ASP B 253 19.993 -11.405 24.081 1.00 0.00 O1- ATOM 2448 OD2 ASP B 253 21.341 -9.725 24.058 1.00 0.00 O ATOM 0 H ASP B 253 21.377 -10.554 19.297 1.00 0.00 H new ATOM 0 HA ASP B 253 20.221 -12.264 21.146 1.00 0.00 H new ATOM 0 HB2 ASP B 253 21.958 -12.439 22.670 1.00 0.00 H new ATOM 0 HB3 ASP B 253 22.622 -10.867 22.273 1.00 0.00 H new