USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1036 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 GLN :FLIP amide:sc= -7.34! C(o=-8!,f=-7.3!) USER MOD Set 1.2: A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 70 TYR OH : rot 131:sc= -1.06 USER MOD Set 2.2: A 71 ASN : amide:sc= -7.17! C(o=-8.2!,f=-17!) USER MOD Single : A 1 MET CE :methyl -131:sc= -2.54 (180deg=-8.03!) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.0321 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.25) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= -0.854 (180deg=-1.02) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.137 F(o=-0.88,f=-0.14) USER MOD Single : A 35 GLN : amide:sc= -0.0822 X(o=-0.082,f=-0.082) USER MOD Single : A 40 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 43 MET CE :methyl 178:sc= 0 (180deg=-0.00636) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.97) USER MOD Single : A 53 ASN : amide:sc= -5.79 K(o=-5.8,f=-7.2!) USER MOD Single : A 55 ASN : amide:sc=-0.00687 K(o=-0.0069,f=-4.2!) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 1.09 (180deg=0.975) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.78 F(o=-2.6,f=-1.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.487 F(o=-2.3,f=-0.49) USER MOD Single : A 75 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.043) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 147:sc= 0.86 (180deg=-0.71!) USER MOD Single : A 89 GLN : amide:sc= -7.39! C(o=-7.4!,f=-7.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -106:sc= -3.95 (180deg=-7.45!) USER MOD Single : A 95 MET CE :methyl 178:sc= -5.39! (180deg=-5.44!) USER MOD Single : A 96 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-2.9!) USER MOD Single : A 97 TYR OH : rot 141:sc= 1.16 USER MOD Single : A 99 THR OG1 : rot -158:sc= -1.14 USER MOD Single : A 103 ASN : amide:sc= 0.675 K(o=0.68,f=-6.6!) USER MOD Single : A 107 LYS NZ :NH3+ 137:sc= -1.26 (180deg=-4.49!) USER MOD Single : A 108 LYS NZ :NH3+ 164:sc= -4.37! (180deg=-4.99!) USER MOD Single : A 109 LYS NZ :NH3+ -121:sc= 0.655 (180deg=0.389) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.0817 F(o=-0.78,f=-0.082) USER MOD Single : A 125 GLN : amide:sc= 0.692 K(o=0.69,f=-2.5!) USER MOD Single : A 127 GLN : amide:sc= -7.54! C(o=-7.5!,f=-13!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.996 1.076 19.314 1.00 0.00 N ATOM 2 CA MET A 1 10.287 0.293 18.268 1.00 0.00 C ATOM 3 C MET A 1 10.904 0.524 16.893 1.00 0.00 C ATOM 4 O MET A 1 12.000 1.073 16.778 1.00 0.00 O ATOM 5 CB MET A 1 8.813 0.709 18.265 1.00 0.00 C ATOM 6 CG MET A 1 7.850 -0.466 18.244 1.00 0.00 C ATOM 7 SD MET A 1 8.071 -1.572 19.651 1.00 0.00 S ATOM 8 CE MET A 1 8.661 -3.050 18.830 1.00 0.00 C ATOM 0 H1 MET A 1 10.971 0.555 20.214 1.00 0.00 H new ATOM 0 H2 MET A 1 11.985 1.224 19.027 1.00 0.00 H new ATOM 0 H3 MET A 1 10.529 1.998 19.434 1.00 0.00 H new ATOM 0 HA MET A 1 10.377 -0.770 18.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.614 1.316 19.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.624 1.339 17.396 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.826 -0.091 18.239 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.989 -1.028 17.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.092 -3.912 19.178 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.534 -2.943 17.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.717 -3.196 19.058 1.00 0.00 H new ATOM 20 N ALA A 2 10.194 0.101 15.852 1.00 0.00 N ATOM 21 CA ALA A 2 10.673 0.262 14.484 1.00 0.00 C ATOM 22 C ALA A 2 10.899 1.732 14.150 1.00 0.00 C ATOM 23 O ALA A 2 11.929 2.100 13.586 1.00 0.00 O ATOM 24 CB ALA A 2 9.688 -0.359 13.505 1.00 0.00 C ATOM 0 H ALA A 2 9.285 -0.356 15.930 1.00 0.00 H new ATOM 0 HA ALA A 2 11.630 -0.253 14.397 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.057 -0.232 12.487 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.580 -1.422 13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.719 0.131 13.603 1.00 0.00 H new ATOM 30 N ASP A 3 9.929 2.569 14.503 1.00 0.00 N ATOM 31 CA ASP A 3 10.021 4.001 14.241 1.00 0.00 C ATOM 32 C ASP A 3 10.146 4.274 12.746 1.00 0.00 C ATOM 33 O ASP A 3 11.196 4.041 12.148 1.00 0.00 O ATOM 34 CB ASP A 3 11.219 4.599 14.982 1.00 0.00 C ATOM 35 CG ASP A 3 10.938 4.812 16.457 1.00 0.00 C ATOM 36 OD1 ASP A 3 10.830 3.808 17.192 1.00 0.00 O1- ATOM 37 OD2 ASP A 3 10.827 5.983 16.877 1.00 0.00 O ATOM 0 H ASP A 3 9.070 2.280 14.971 1.00 0.00 H new ATOM 0 HA ASP A 3 9.106 4.471 14.602 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.079 3.938 14.870 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.487 5.551 14.525 1.00 0.00 H new ATOM 42 N GLU A 4 9.067 4.770 12.149 1.00 0.00 N ATOM 43 CA GLU A 4 9.056 5.075 10.723 1.00 0.00 C ATOM 44 C GLU A 4 7.928 6.046 10.384 1.00 0.00 C ATOM 45 O GLU A 4 6.958 5.681 9.720 1.00 0.00 O ATOM 46 CB GLU A 4 8.904 3.790 9.906 1.00 0.00 C ATOM 47 CG GLU A 4 9.471 3.893 8.500 1.00 0.00 C ATOM 48 CD GLU A 4 10.062 2.584 8.013 1.00 0.00 C ATOM 49 OE1 GLU A 4 9.517 1.518 8.368 1.00 0.00 O1- ATOM 50 OE2 GLU A 4 11.070 2.625 7.277 1.00 0.00 O ATOM 0 H GLU A 4 8.190 4.969 12.630 1.00 0.00 H new ATOM 0 HA GLU A 4 10.005 5.547 10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.402 2.975 10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.847 3.531 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.683 4.208 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.240 4.665 8.478 1.00 0.00 H new ATOM 57 N GLN A 5 8.064 7.285 10.845 1.00 0.00 N ATOM 58 CA GLN A 5 7.058 8.310 10.592 1.00 0.00 C ATOM 59 C GLN A 5 5.700 7.892 11.155 1.00 0.00 C ATOM 60 O GLN A 5 4.697 7.882 10.440 1.00 0.00 O ATOM 61 CB GLN A 5 6.942 8.580 9.090 1.00 0.00 C ATOM 62 CG GLN A 5 8.285 8.718 8.391 1.00 0.00 C ATOM 63 CD GLN A 5 9.177 9.758 9.042 1.00 0.00 C ATOM 64 OE1 GLN A 5 9.992 9.439 9.908 1.00 0.00 O ATOM 65 NE2 GLN A 5 9.025 11.010 8.628 1.00 0.00 N ATOM 0 H GLN A 5 8.861 7.604 11.396 1.00 0.00 H new ATOM 0 HA GLN A 5 7.372 9.225 11.095 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.382 7.768 8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.367 9.493 8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.794 7.754 8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.121 8.987 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.337 11.229 7.908 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.596 11.753 9.030 1.00 0.00 H new ATOM 74 N PRO A 6 5.650 7.540 12.451 1.00 0.00 N ATOM 75 CA PRO A 6 4.408 7.120 13.108 1.00 0.00 C ATOM 76 C PRO A 6 3.440 8.280 13.314 1.00 0.00 C ATOM 77 O PRO A 6 2.245 8.159 13.047 1.00 0.00 O ATOM 78 CB PRO A 6 4.886 6.576 14.455 1.00 0.00 C ATOM 79 CG PRO A 6 6.162 7.294 14.721 1.00 0.00 C ATOM 80 CD PRO A 6 6.799 7.523 13.377 1.00 0.00 C ATOM 0 HA PRO A 6 3.857 6.393 12.511 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.154 6.765 15.240 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.039 5.498 14.415 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.978 8.239 15.232 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.814 6.705 15.366 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.351 8.462 13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.505 6.731 13.127 1.00 0.00 H new ATOM 88 N LYS A 7 3.964 9.404 13.793 1.00 0.00 N ATOM 89 CA LYS A 7 3.146 10.587 14.036 1.00 0.00 C ATOM 90 C LYS A 7 3.586 11.746 13.147 1.00 0.00 C ATOM 91 O LYS A 7 4.628 12.358 13.379 1.00 0.00 O ATOM 92 CB LYS A 7 3.230 10.997 15.507 1.00 0.00 C ATOM 93 CG LYS A 7 1.936 11.581 16.050 1.00 0.00 C ATOM 94 CD LYS A 7 1.691 12.983 15.516 1.00 0.00 C ATOM 95 CE LYS A 7 0.284 13.462 15.834 1.00 0.00 C ATOM 96 NZ LYS A 7 0.124 14.921 15.585 1.00 0.00 N1+ ATOM 0 H LYS A 7 4.951 9.520 14.021 1.00 0.00 H new ATOM 0 HA LYS A 7 2.113 10.339 13.793 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.505 10.127 16.103 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.028 11.730 15.626 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.101 10.935 15.777 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.976 11.607 17.139 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.417 13.671 15.949 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.845 12.995 14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.433 12.909 15.227 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.054 13.244 16.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.849 15.208 15.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.791 15.450 16.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.319 15.126 14.584 1.00 0.00 H new ATOM 110 N LYS A 8 2.784 12.042 12.130 1.00 0.00 N ATOM 111 CA LYS A 8 3.089 13.129 11.206 1.00 0.00 C ATOM 112 C LYS A 8 1.943 13.342 10.219 1.00 0.00 C ATOM 113 O LYS A 8 1.221 12.404 9.882 1.00 0.00 O ATOM 114 CB LYS A 8 4.385 12.831 10.447 1.00 0.00 C ATOM 115 CG LYS A 8 5.616 13.466 11.073 1.00 0.00 C ATOM 116 CD LYS A 8 6.613 13.910 10.014 1.00 0.00 C ATOM 117 CE LYS A 8 6.110 15.124 9.250 1.00 0.00 C ATOM 118 NZ LYS A 8 5.916 16.301 10.142 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.918 11.545 11.924 1.00 0.00 H new ATOM 0 HA LYS A 8 3.218 14.042 11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.528 11.752 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.285 13.186 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.318 14.324 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.092 12.753 11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.567 14.146 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.796 13.091 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.821 15.378 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.167 14.880 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.654 17.130 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.158 16.098 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.800 16.498 10.654 1.00 0.00 H new ATOM 132 N PRO A 9 1.762 14.586 9.741 1.00 0.00 N ATOM 133 CA PRO A 9 0.698 14.918 8.788 1.00 0.00 C ATOM 134 C PRO A 9 0.700 13.994 7.575 1.00 0.00 C ATOM 135 O PRO A 9 1.532 13.093 7.470 1.00 0.00 O ATOM 136 CB PRO A 9 1.030 16.352 8.369 1.00 0.00 C ATOM 137 CG PRO A 9 1.800 16.912 9.514 1.00 0.00 C ATOM 138 CD PRO A 9 2.580 15.763 10.091 1.00 0.00 C ATOM 0 HA PRO A 9 -0.293 14.808 9.228 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.617 16.370 7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.125 16.929 8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.466 17.709 9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.132 17.344 10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.580 15.700 9.661 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.702 15.861 11.170 1.00 0.00 H new ATOM 146 N VAL A 10 -0.237 14.224 6.660 1.00 0.00 N ATOM 147 CA VAL A 10 -0.341 13.410 5.455 1.00 0.00 C ATOM 148 C VAL A 10 -0.685 14.269 4.238 1.00 0.00 C ATOM 149 O VAL A 10 -1.258 15.351 4.372 1.00 0.00 O ATOM 150 CB VAL A 10 -1.400 12.297 5.618 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.208 11.569 6.939 1.00 0.00 C ATOM 152 CG2 VAL A 10 -2.809 12.865 5.517 1.00 0.00 C ATOM 0 H VAL A 10 -0.933 14.966 6.730 1.00 0.00 H new ATOM 0 HA VAL A 10 0.633 12.946 5.297 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.268 11.581 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.962 10.788 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.215 11.120 6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.308 12.276 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.535 12.061 5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.959 13.607 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.943 13.334 4.542 1.00 0.00 H new ATOM 162 N PRO A 11 -0.336 13.795 3.031 1.00 0.00 N ATOM 163 CA PRO A 11 -0.608 14.520 1.787 1.00 0.00 C ATOM 164 C PRO A 11 -2.074 14.434 1.375 1.00 0.00 C ATOM 165 O PRO A 11 -2.924 14.003 2.153 1.00 0.00 O ATOM 166 CB PRO A 11 0.277 13.803 0.769 1.00 0.00 C ATOM 167 CG PRO A 11 0.385 12.409 1.283 1.00 0.00 C ATOM 168 CD PRO A 11 0.350 12.513 2.785 1.00 0.00 C ATOM 0 HA PRO A 11 -0.403 15.587 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.166 13.825 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.257 14.275 0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.436 11.794 0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.310 11.940 0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.190 11.678 3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.354 12.508 3.210 1.00 0.00 H new ATOM 176 N ALA A 12 -2.362 14.847 0.144 1.00 0.00 N ATOM 177 CA ALA A 12 -3.724 14.816 -0.373 1.00 0.00 C ATOM 178 C ALA A 12 -3.743 14.407 -1.842 1.00 0.00 C ATOM 179 O ALA A 12 -3.155 15.078 -2.690 1.00 0.00 O ATOM 180 CB ALA A 12 -4.388 16.173 -0.192 1.00 0.00 C ATOM 0 H ALA A 12 -1.670 15.207 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.285 14.072 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.405 16.135 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.415 16.426 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.820 16.931 -0.731 1.00 0.00 H new ATOM 186 N ALA A 13 -4.422 13.303 -2.135 1.00 0.00 N ATOM 187 CA ALA A 13 -4.516 12.805 -3.502 1.00 0.00 C ATOM 188 C ALA A 13 -5.694 11.849 -3.659 1.00 0.00 C ATOM 189 O ALA A 13 -6.212 11.319 -2.676 1.00 0.00 O ATOM 190 CB ALA A 13 -3.220 12.118 -3.903 1.00 0.00 C ATOM 0 H ALA A 13 -4.915 12.737 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.683 13.656 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.304 11.751 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.396 12.829 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.029 11.281 -3.232 1.00 0.00 H new ATOM 196 N GLU A 14 -6.111 11.633 -4.903 1.00 0.00 N ATOM 197 CA GLU A 14 -7.228 10.739 -5.190 1.00 0.00 C ATOM 198 C GLU A 14 -7.460 10.627 -6.694 1.00 0.00 C ATOM 199 O GLU A 14 -6.785 11.283 -7.487 1.00 0.00 O ATOM 200 CB GLU A 14 -8.499 11.239 -4.502 1.00 0.00 C ATOM 201 CG GLU A 14 -8.748 12.727 -4.691 1.00 0.00 C ATOM 202 CD GLU A 14 -10.224 13.074 -4.703 1.00 0.00 C ATOM 203 OE1 GLU A 14 -10.945 12.635 -3.782 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -10.660 13.783 -5.634 1.00 0.00 O ATOM 0 H GLU A 14 -5.693 12.064 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.980 9.751 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.354 10.684 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.434 11.022 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.255 13.279 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.295 13.051 -5.628 1.00 0.00 H new ATOM 211 N GLU A 15 -8.419 9.788 -7.079 1.00 0.00 N ATOM 212 CA GLU A 15 -8.743 9.584 -8.488 1.00 0.00 C ATOM 213 C GLU A 15 -7.656 8.770 -9.178 1.00 0.00 C ATOM 214 O GLU A 15 -6.731 9.325 -9.770 1.00 0.00 O ATOM 215 CB GLU A 15 -8.925 10.927 -9.202 1.00 0.00 C ATOM 216 CG GLU A 15 -9.732 11.937 -8.402 1.00 0.00 C ATOM 217 CD GLU A 15 -10.142 13.140 -9.229 1.00 0.00 C ATOM 218 OE1 GLU A 15 -9.247 13.901 -9.654 1.00 0.00 O ATOM 219 OE2 GLU A 15 -11.358 13.321 -9.451 1.00 0.00 O1- ATOM 0 H GLU A 15 -8.986 9.238 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.681 9.031 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.944 11.349 -9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.418 10.756 -10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.624 11.452 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.144 12.271 -7.547 1.00 0.00 H new ATOM 226 N ALA A 16 -7.773 7.449 -9.094 1.00 0.00 N ATOM 227 CA ALA A 16 -6.799 6.555 -9.707 1.00 0.00 C ATOM 228 C ALA A 16 -6.663 6.829 -11.203 1.00 0.00 C ATOM 229 O ALA A 16 -7.477 7.544 -11.788 1.00 0.00 O ATOM 230 CB ALA A 16 -7.191 5.104 -9.465 1.00 0.00 C ATOM 0 H ALA A 16 -8.533 6.974 -8.607 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.830 6.741 -9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.455 4.446 -9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.227 4.911 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.172 4.915 -9.901 1.00 0.00 H new ATOM 236 N PRO A 17 -5.628 6.261 -11.846 1.00 0.00 N ATOM 237 CA PRO A 17 -5.391 6.449 -13.280 1.00 0.00 C ATOM 238 C PRO A 17 -6.413 5.710 -14.138 1.00 0.00 C ATOM 239 O PRO A 17 -7.202 4.912 -13.632 1.00 0.00 O ATOM 240 CB PRO A 17 -3.994 5.861 -13.488 1.00 0.00 C ATOM 241 CG PRO A 17 -3.844 4.853 -12.403 1.00 0.00 C ATOM 242 CD PRO A 17 -4.608 5.392 -11.225 1.00 0.00 C ATOM 0 HA PRO A 17 -5.476 7.495 -13.574 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.900 5.401 -14.472 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.226 6.632 -13.422 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.238 3.885 -12.713 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.794 4.704 -12.152 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.063 4.592 -10.641 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.961 5.951 -10.549 1.00 0.00 H new ATOM 250 N ALA A 18 -6.393 5.982 -15.438 1.00 0.00 N ATOM 251 CA ALA A 18 -7.319 5.344 -16.366 1.00 0.00 C ATOM 252 C ALA A 18 -6.603 4.312 -17.232 1.00 0.00 C ATOM 253 O ALA A 18 -5.954 4.659 -18.219 1.00 0.00 O ATOM 254 CB ALA A 18 -7.996 6.390 -17.239 1.00 0.00 C ATOM 0 H ALA A 18 -5.746 6.640 -15.873 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.080 4.826 -15.783 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.685 5.899 -17.927 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.548 7.088 -16.609 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.241 6.933 -17.807 1.00 0.00 H new ATOM 260 N ALA A 19 -6.726 3.044 -16.856 1.00 0.00 N ATOM 261 CA ALA A 19 -6.091 1.962 -17.598 1.00 0.00 C ATOM 262 C ALA A 19 -7.042 1.377 -18.637 1.00 0.00 C ATOM 263 O ALA A 19 -8.014 0.704 -18.295 1.00 0.00 O ATOM 264 CB ALA A 19 -5.617 0.876 -16.644 1.00 0.00 C ATOM 0 H ALA A 19 -7.260 2.740 -16.042 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.228 2.372 -18.123 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.145 0.074 -17.211 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.897 1.297 -15.942 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.469 0.478 -16.094 1.00 0.00 H new ATOM 270 N GLU A 20 -6.755 1.640 -19.908 1.00 0.00 N ATOM 271 CA GLU A 20 -7.585 1.140 -20.998 1.00 0.00 C ATOM 272 C GLU A 20 -7.510 -0.381 -21.085 1.00 0.00 C ATOM 273 O GLU A 20 -8.506 -1.046 -21.369 1.00 0.00 O ATOM 274 CB GLU A 20 -7.147 1.760 -22.326 1.00 0.00 C ATOM 275 CG GLU A 20 -8.297 2.012 -23.288 1.00 0.00 C ATOM 276 CD GLU A 20 -8.107 3.275 -24.105 1.00 0.00 C ATOM 277 OE1 GLU A 20 -7.456 3.202 -25.168 1.00 0.00 O ATOM 278 OE2 GLU A 20 -8.611 4.337 -23.682 1.00 0.00 O1- ATOM 0 H GLU A 20 -5.954 2.196 -20.208 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.618 1.424 -20.795 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.638 2.703 -22.127 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.422 1.101 -22.804 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.397 1.160 -23.961 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.228 2.084 -22.725 1.00 0.00 H new ATOM 285 N ALA A 21 -6.323 -0.925 -20.838 1.00 0.00 N ATOM 286 CA ALA A 21 -6.118 -2.368 -20.888 1.00 0.00 C ATOM 287 C ALA A 21 -5.139 -2.821 -19.811 1.00 0.00 C ATOM 288 O ALA A 21 -4.105 -2.190 -19.593 1.00 0.00 O ATOM 289 CB ALA A 21 -5.621 -2.782 -22.265 1.00 0.00 C ATOM 0 H ALA A 21 -5.488 -0.388 -20.601 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.075 -2.854 -20.698 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.472 -3.862 -22.289 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.358 -2.501 -23.017 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.677 -2.281 -22.477 1.00 0.00 H new ATOM 295 N GLU A 22 -5.472 -3.918 -19.139 1.00 0.00 N ATOM 296 CA GLU A 22 -4.622 -4.456 -18.084 1.00 0.00 C ATOM 297 C GLU A 22 -4.574 -5.979 -18.147 1.00 0.00 C ATOM 298 O GLU A 22 -5.500 -6.619 -18.646 1.00 0.00 O ATOM 299 CB GLU A 22 -5.129 -4.007 -16.712 1.00 0.00 C ATOM 300 CG GLU A 22 -6.634 -4.144 -16.545 1.00 0.00 C ATOM 301 CD GLU A 22 -7.048 -4.288 -15.094 1.00 0.00 C ATOM 302 OE1 GLU A 22 -6.663 -3.425 -14.278 1.00 0.00 O1- ATOM 303 OE2 GLU A 22 -7.758 -5.265 -14.774 1.00 0.00 O ATOM 0 H GLU A 22 -6.325 -4.452 -19.307 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.613 -4.072 -18.234 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.631 -4.594 -15.940 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.847 -2.966 -16.553 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.125 -3.270 -16.974 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.981 -5.012 -17.106 1.00 0.00 H new ATOM 310 N ALA A 23 -3.489 -6.554 -17.639 1.00 0.00 N ATOM 311 CA ALA A 23 -3.320 -8.002 -17.638 1.00 0.00 C ATOM 312 C ALA A 23 -2.775 -8.490 -16.300 1.00 0.00 C ATOM 313 O ALA A 23 -2.708 -7.732 -15.332 1.00 0.00 O ATOM 314 CB ALA A 23 -2.399 -8.426 -18.771 1.00 0.00 C ATOM 0 H ALA A 23 -2.713 -6.039 -17.223 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.299 -8.458 -17.790 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.282 -9.510 -18.758 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.829 -8.119 -19.724 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.425 -7.954 -18.644 1.00 0.00 H new ATOM 320 N GLU A 24 -2.387 -9.760 -16.253 1.00 0.00 N ATOM 321 CA GLU A 24 -1.848 -10.349 -15.033 1.00 0.00 C ATOM 322 C GLU A 24 -0.637 -11.224 -15.340 1.00 0.00 C ATOM 323 O GLU A 24 -0.666 -12.039 -16.263 1.00 0.00 O ATOM 324 CB GLU A 24 -2.922 -11.176 -14.323 1.00 0.00 C ATOM 325 CG GLU A 24 -4.165 -10.379 -13.965 1.00 0.00 C ATOM 326 CD GLU A 24 -4.018 -9.624 -12.658 1.00 0.00 C ATOM 327 OE1 GLU A 24 -2.868 -9.340 -12.263 1.00 0.00 O ATOM 328 OE2 GLU A 24 -5.053 -9.317 -12.030 1.00 0.00 O1- ATOM 0 H GLU A 24 -2.436 -10.401 -17.045 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.531 -9.538 -14.377 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.208 -12.011 -14.963 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.499 -11.602 -13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.382 -9.672 -14.766 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.018 -11.054 -13.896 1.00 0.00 H new ATOM 335 N GLU A 25 0.426 -11.050 -14.562 1.00 0.00 N ATOM 336 CA GLU A 25 1.647 -11.824 -14.751 1.00 0.00 C ATOM 337 C GLU A 25 2.355 -12.057 -13.420 1.00 0.00 C ATOM 338 O GLU A 25 2.613 -13.197 -13.035 1.00 0.00 O ATOM 339 CB GLU A 25 2.586 -11.105 -15.722 1.00 0.00 C ATOM 340 CG GLU A 25 3.364 -12.048 -16.625 1.00 0.00 C ATOM 341 CD GLU A 25 4.699 -11.472 -17.056 1.00 0.00 C ATOM 342 OE1 GLU A 25 4.701 -10.510 -17.853 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 5.742 -11.982 -16.597 1.00 0.00 O ATOM 0 H GLU A 25 0.466 -10.380 -13.794 1.00 0.00 H new ATOM 0 HA GLU A 25 1.373 -12.792 -15.171 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.003 -10.422 -16.340 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.289 -10.498 -15.152 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.530 -12.990 -16.103 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.767 -12.274 -17.509 1.00 0.00 H new ATOM 350 N GLU A 26 2.666 -10.970 -12.722 1.00 0.00 N ATOM 351 CA GLU A 26 3.344 -11.056 -11.434 1.00 0.00 C ATOM 352 C GLU A 26 2.508 -11.845 -10.431 1.00 0.00 C ATOM 353 O GLU A 26 1.303 -11.628 -10.306 1.00 0.00 O ATOM 354 CB GLU A 26 3.628 -9.655 -10.889 1.00 0.00 C ATOM 355 CG GLU A 26 4.199 -8.703 -11.927 1.00 0.00 C ATOM 356 CD GLU A 26 3.152 -7.766 -12.496 1.00 0.00 C ATOM 357 OE1 GLU A 26 1.972 -8.170 -12.572 1.00 0.00 O ATOM 358 OE2 GLU A 26 3.511 -6.629 -12.866 1.00 0.00 O1- ATOM 0 H GLU A 26 2.459 -10.019 -13.027 1.00 0.00 H new ATOM 0 HA GLU A 26 4.289 -11.579 -11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.704 -9.235 -10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.327 -9.733 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.999 -8.117 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.644 -9.280 -12.738 1.00 0.00 H new ATOM 365 N GLU A 27 3.156 -12.761 -9.719 1.00 0.00 N ATOM 366 CA GLU A 27 2.473 -13.582 -8.727 1.00 0.00 C ATOM 367 C GLU A 27 1.367 -14.410 -9.374 1.00 0.00 C ATOM 368 O GLU A 27 1.031 -14.211 -10.541 1.00 0.00 O ATOM 369 CB GLU A 27 1.886 -12.701 -7.622 1.00 0.00 C ATOM 370 CG GLU A 27 1.663 -13.438 -6.311 1.00 0.00 C ATOM 371 CD GLU A 27 1.586 -12.501 -5.122 1.00 0.00 C ATOM 372 OE1 GLU A 27 1.324 -11.297 -5.330 1.00 0.00 O1- ATOM 373 OE2 GLU A 27 1.788 -12.970 -3.982 1.00 0.00 O ATOM 0 H GLU A 27 4.154 -12.953 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 27 3.204 -14.263 -8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.555 -11.859 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.937 -12.288 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.740 -14.015 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.474 -14.150 -6.156 1.00 0.00 H new ATOM 380 N GLY A 28 0.805 -15.339 -8.608 1.00 0.00 N ATOM 381 CA GLY A 28 -0.257 -16.183 -9.124 1.00 0.00 C ATOM 382 C GLY A 28 -1.634 -15.697 -8.716 1.00 0.00 C ATOM 383 O GLY A 28 -2.568 -16.490 -8.594 1.00 0.00 O ATOM 0 H GLY A 28 1.066 -15.523 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.194 -16.216 -10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.114 -17.202 -8.765 1.00 0.00 H new ATOM 387 N LEU A 29 -1.760 -14.391 -8.505 1.00 0.00 N ATOM 388 CA LEU A 29 -3.033 -13.801 -8.109 1.00 0.00 C ATOM 389 C LEU A 29 -3.670 -13.050 -9.274 1.00 0.00 C ATOM 390 O LEU A 29 -3.182 -13.106 -10.403 1.00 0.00 O ATOM 391 CB LEU A 29 -2.833 -12.856 -6.921 1.00 0.00 C ATOM 392 CG LEU A 29 -3.246 -13.428 -5.563 1.00 0.00 C ATOM 393 CD1 LEU A 29 -4.679 -13.935 -5.610 1.00 0.00 C ATOM 394 CD2 LEU A 29 -2.298 -14.542 -5.145 1.00 0.00 C ATOM 0 H LEU A 29 -0.996 -13.722 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.704 -14.607 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.781 -12.573 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.401 -11.944 -7.102 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.189 -12.631 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.955 -14.338 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.348 -13.113 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.763 -14.718 -6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.606 -14.938 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.323 -15.339 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.284 -14.148 -5.070 1.00 0.00 H new ATOM 406 N HIS A 30 -4.763 -12.348 -8.992 1.00 0.00 N ATOM 407 CA HIS A 30 -5.467 -11.587 -10.017 1.00 0.00 C ATOM 408 C HIS A 30 -6.495 -10.650 -9.390 1.00 0.00 C ATOM 409 O HIS A 30 -6.578 -10.533 -8.167 1.00 0.00 O ATOM 410 CB HIS A 30 -6.157 -12.534 -11.001 1.00 0.00 C ATOM 411 CG HIS A 30 -7.217 -13.383 -10.372 1.00 0.00 C ATOM 412 ND1 HIS A 30 -7.574 -13.539 -9.074 1.00 0.00 N flip ATOM 413 CD2 HIS A 30 -8.055 -14.203 -11.098 1.00 0.00 C flip ATOM 414 CE1 HIS A 30 -8.610 -14.440 -9.043 1.00 0.00 C flip ATOM 415 NE2 HIS A 30 -8.882 -14.825 -10.276 1.00 0.00 N flip ATOM 0 H HIS A 30 -5.180 -12.291 -8.063 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.734 -10.985 -10.555 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.602 -11.948 -11.805 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.407 -13.181 -11.456 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.038 -14.319 -12.172 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.120 -14.779 -8.153 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.607 -15.489 -10.548 1.00 0.00 H new ATOM 424 N LEU A 31 -7.275 -9.984 -10.235 1.00 0.00 N ATOM 425 CA LEU A 31 -8.297 -9.057 -9.763 1.00 0.00 C ATOM 426 C LEU A 31 -9.366 -8.838 -10.829 1.00 0.00 C ATOM 427 O LEU A 31 -9.078 -8.863 -12.026 1.00 0.00 O ATOM 428 CB LEU A 31 -7.664 -7.719 -9.376 1.00 0.00 C ATOM 429 CG LEU A 31 -8.462 -6.893 -8.366 1.00 0.00 C ATOM 430 CD1 LEU A 31 -8.055 -7.250 -6.945 1.00 0.00 C ATOM 431 CD2 LEU A 31 -8.267 -5.406 -8.621 1.00 0.00 C ATOM 0 H LEU A 31 -7.219 -10.069 -11.250 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.770 -9.494 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.673 -7.909 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.526 -7.125 -10.279 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.520 -7.127 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.633 -6.653 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.247 -8.308 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.993 -7.046 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.842 -4.834 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.210 -5.156 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.609 -5.161 -9.627 1.00 0.00 H new ATOM 443 N GLU A 32 -10.600 -8.622 -10.387 1.00 0.00 N ATOM 444 CA GLU A 32 -11.712 -8.398 -11.303 1.00 0.00 C ATOM 445 C GLU A 32 -11.563 -7.061 -12.022 1.00 0.00 C ATOM 446 O GLU A 32 -10.872 -6.162 -11.544 1.00 0.00 O ATOM 447 CB GLU A 32 -13.041 -8.438 -10.545 1.00 0.00 C ATOM 448 CG GLU A 32 -13.184 -7.334 -9.511 1.00 0.00 C ATOM 449 CD GLU A 32 -14.584 -7.255 -8.933 1.00 0.00 C ATOM 450 OE1 GLU A 32 -15.002 -8.218 -8.257 1.00 0.00 O ATOM 451 OE2 GLU A 32 -15.261 -6.230 -9.157 1.00 0.00 O1- ATOM 0 H GLU A 32 -10.855 -8.597 -9.400 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.703 -9.194 -12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.860 -8.363 -11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.138 -9.404 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.471 -7.502 -8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.929 -6.378 -9.968 1.00 0.00 H new ATOM 458 N ASP A 33 -12.217 -6.938 -13.172 1.00 0.00 N ATOM 459 CA ASP A 33 -12.157 -5.711 -13.957 1.00 0.00 C ATOM 460 C ASP A 33 -12.814 -4.555 -13.210 1.00 0.00 C ATOM 461 O ASP A 33 -13.957 -4.191 -13.490 1.00 0.00 O ATOM 462 CB ASP A 33 -12.841 -5.912 -15.311 1.00 0.00 C ATOM 463 CG ASP A 33 -14.288 -6.343 -15.170 1.00 0.00 C ATOM 464 OD1 ASP A 33 -14.527 -7.473 -14.693 1.00 0.00 O ATOM 465 OD2 ASP A 33 -15.182 -5.551 -15.535 1.00 0.00 O1- ATOM 0 H ASP A 33 -12.794 -7.673 -13.581 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.108 -5.465 -14.121 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.795 -4.983 -15.879 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.295 -6.663 -15.883 1.00 0.00 H new ATOM 470 N ASP A 34 -12.085 -3.982 -12.258 1.00 0.00 N ATOM 471 CA ASP A 34 -12.597 -2.867 -11.470 1.00 0.00 C ATOM 472 C ASP A 34 -11.459 -2.112 -10.792 1.00 0.00 C ATOM 473 O ASP A 34 -10.285 -2.411 -11.010 1.00 0.00 O ATOM 474 CB ASP A 34 -13.588 -3.371 -10.419 1.00 0.00 C ATOM 475 CG ASP A 34 -14.748 -2.416 -10.213 1.00 0.00 C ATOM 476 OD1 ASP A 34 -14.513 -1.296 -9.712 1.00 0.00 O1- ATOM 477 OD2 ASP A 34 -15.891 -2.788 -10.551 1.00 0.00 O ATOM 0 H ASP A 34 -11.138 -4.271 -12.014 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.111 -2.183 -12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.972 -4.345 -10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.067 -3.515 -9.472 1.00 0.00 H new ATOM 482 N GLN A 35 -11.814 -1.131 -9.969 1.00 0.00 N ATOM 483 CA GLN A 35 -10.823 -0.332 -9.258 1.00 0.00 C ATOM 484 C GLN A 35 -10.084 -1.175 -8.224 1.00 0.00 C ATOM 485 O GLN A 35 -10.305 -2.381 -8.119 1.00 0.00 O ATOM 486 CB GLN A 35 -11.494 0.862 -8.575 1.00 0.00 C ATOM 487 CG GLN A 35 -11.547 2.108 -9.444 1.00 0.00 C ATOM 488 CD GLN A 35 -12.247 1.867 -10.767 1.00 0.00 C ATOM 489 OE1 GLN A 35 -13.475 1.885 -10.845 1.00 0.00 O ATOM 490 NE2 GLN A 35 -11.466 1.639 -11.817 1.00 0.00 N ATOM 0 H GLN A 35 -12.781 -0.870 -9.778 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.099 0.034 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.509 0.584 -8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.957 1.093 -7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.063 2.902 -8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.532 2.458 -9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.452 1.633 -11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.880 1.470 -12.734 1.00 0.00 H new ATOM 499 N GLU A 36 -9.204 -0.532 -7.463 1.00 0.00 N ATOM 500 CA GLU A 36 -8.432 -1.222 -6.436 1.00 0.00 C ATOM 501 C GLU A 36 -8.998 -0.938 -5.046 1.00 0.00 C ATOM 502 O GLU A 36 -8.619 0.040 -4.402 1.00 0.00 O ATOM 503 CB GLU A 36 -6.965 -0.792 -6.499 1.00 0.00 C ATOM 504 CG GLU A 36 -6.168 -1.503 -7.580 1.00 0.00 C ATOM 505 CD GLU A 36 -6.806 -1.380 -8.950 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.346 -0.297 -9.259 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -6.766 -2.367 -9.715 1.00 0.00 O ATOM 0 H GLU A 36 -9.008 0.466 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.499 -2.294 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.917 0.283 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.498 -0.980 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.160 -1.090 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.072 -2.557 -7.321 1.00 0.00 H new ATOM 514 N PRO A 37 -9.917 -1.794 -4.563 1.00 0.00 N ATOM 515 CA PRO A 37 -10.532 -1.626 -3.242 1.00 0.00 C ATOM 516 C PRO A 37 -9.533 -1.832 -2.108 1.00 0.00 C ATOM 517 O PRO A 37 -8.526 -2.521 -2.271 1.00 0.00 O ATOM 518 CB PRO A 37 -11.612 -2.710 -3.207 1.00 0.00 C ATOM 519 CG PRO A 37 -11.152 -3.738 -4.181 1.00 0.00 C ATOM 520 CD PRO A 37 -10.427 -2.987 -5.262 1.00 0.00 C ATOM 0 HA PRO A 37 -10.920 -0.617 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.717 -3.131 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.585 -2.307 -3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.495 -4.464 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.996 -4.294 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.618 -3.579 -5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.093 -2.719 -6.082 1.00 0.00 H new ATOM 528 N ARG A 38 -9.820 -1.231 -0.958 1.00 0.00 N ATOM 529 CA ARG A 38 -8.947 -1.348 0.205 1.00 0.00 C ATOM 530 C ARG A 38 -9.521 -2.331 1.220 1.00 0.00 C ATOM 531 O ARG A 38 -10.532 -2.984 0.963 1.00 0.00 O ATOM 532 CB ARG A 38 -8.748 0.021 0.859 1.00 0.00 C ATOM 533 CG ARG A 38 -10.029 0.620 1.418 1.00 0.00 C ATOM 534 CD ARG A 38 -10.182 0.321 2.900 1.00 0.00 C ATOM 535 NE ARG A 38 -11.263 1.096 3.506 1.00 0.00 N ATOM 536 CZ ARG A 38 -12.555 0.863 3.288 1.00 0.00 C ATOM 537 NH1 ARG A 38 -12.932 -0.121 2.480 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -13.473 1.615 3.878 1.00 0.00 N ATOM 0 H ARG A 38 -10.650 -0.658 -0.806 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.982 -1.725 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.019 -0.073 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.326 0.707 0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.026 1.699 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.886 0.221 0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.377 -0.743 3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.246 0.542 3.413 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.012 1.861 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.230 -0.703 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.924 -0.295 2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.189 2.373 4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.463 1.436 3.711 1.00 0.00 H new ATOM 552 N GLU A 39 -8.870 -2.430 2.374 1.00 0.00 N ATOM 553 CA GLU A 39 -9.315 -3.333 3.429 1.00 0.00 C ATOM 554 C GLU A 39 -9.487 -2.587 4.748 1.00 0.00 C ATOM 555 O GLU A 39 -9.234 -1.385 4.830 1.00 0.00 O ATOM 556 CB GLU A 39 -8.317 -4.478 3.604 1.00 0.00 C ATOM 557 CG GLU A 39 -6.868 -4.020 3.650 1.00 0.00 C ATOM 558 CD GLU A 39 -6.023 -4.851 4.595 1.00 0.00 C ATOM 559 OE1 GLU A 39 -6.387 -4.950 5.786 1.00 0.00 O ATOM 560 OE2 GLU A 39 -4.998 -5.405 4.145 1.00 0.00 O1- ATOM 0 H GLU A 39 -8.032 -1.896 2.603 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.281 -3.744 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.549 -5.014 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.440 -5.185 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.443 -4.072 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.831 -2.975 3.959 1.00 0.00 H new ATOM 567 N HIS A 40 -9.919 -3.307 5.778 1.00 0.00 N ATOM 568 CA HIS A 40 -10.125 -2.713 7.094 1.00 0.00 C ATOM 569 C HIS A 40 -9.125 -3.269 8.106 1.00 0.00 C ATOM 570 O HIS A 40 -9.402 -4.257 8.786 1.00 0.00 O ATOM 571 CB HIS A 40 -11.553 -2.974 7.576 1.00 0.00 C ATOM 572 CG HIS A 40 -11.918 -4.426 7.609 1.00 0.00 C ATOM 573 ND1 HIS A 40 -12.276 -5.138 6.483 1.00 0.00 N ATOM 574 CD2 HIS A 40 -11.978 -5.302 8.640 1.00 0.00 C ATOM 575 CE1 HIS A 40 -12.541 -6.387 6.821 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.367 -6.513 8.123 1.00 0.00 N ATOM 0 H HIS A 40 -10.133 -4.303 5.727 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.968 -1.638 7.008 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.673 -2.555 8.575 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.250 -2.447 6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.760 -5.088 9.676 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.848 -7.172 6.146 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.500 -7.371 8.658 1.00 0.00 H new ATOM 585 N PRO A 41 -7.943 -2.638 8.219 1.00 0.00 N ATOM 586 CA PRO A 41 -6.902 -3.075 9.154 1.00 0.00 C ATOM 587 C PRO A 41 -7.292 -2.836 10.609 1.00 0.00 C ATOM 588 O PRO A 41 -8.293 -2.178 10.892 1.00 0.00 O ATOM 589 CB PRO A 41 -5.696 -2.212 8.775 1.00 0.00 C ATOM 590 CG PRO A 41 -6.283 -0.994 8.150 1.00 0.00 C ATOM 591 CD PRO A 41 -7.531 -1.451 7.446 1.00 0.00 C ATOM 0 HA PRO A 41 -6.715 -4.146 9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.099 -1.959 9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.038 -2.735 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.513 -0.241 8.904 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.583 -0.539 7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.301 -0.680 7.452 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.336 -1.699 6.402 1.00 0.00 H new ATOM 599 N ILE A 42 -6.496 -3.374 11.527 1.00 0.00 N ATOM 600 CA ILE A 42 -6.759 -3.219 12.952 1.00 0.00 C ATOM 601 C ILE A 42 -5.657 -2.408 13.629 1.00 0.00 C ATOM 602 O ILE A 42 -4.542 -2.309 13.118 1.00 0.00 O ATOM 603 CB ILE A 42 -6.885 -4.587 13.652 1.00 0.00 C ATOM 604 CG1 ILE A 42 -7.293 -4.404 15.115 1.00 0.00 C ATOM 605 CG2 ILE A 42 -5.578 -5.360 13.553 1.00 0.00 C ATOM 606 CD1 ILE A 42 -7.649 -5.700 15.810 1.00 0.00 C ATOM 0 H ILE A 42 -5.663 -3.921 11.309 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.705 -2.686 13.045 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.662 -5.162 13.148 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.476 -3.924 15.654 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.147 -3.728 15.164 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.686 -6.323 14.053 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.329 -5.521 12.504 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.781 -4.790 14.031 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.928 -5.494 16.843 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.486 -6.171 15.295 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.789 -6.370 15.793 1.00 0.00 H new ATOM 618 N MET A 43 -5.979 -1.829 14.782 1.00 0.00 N ATOM 619 CA MET A 43 -5.018 -1.027 15.530 1.00 0.00 C ATOM 620 C MET A 43 -3.786 -1.850 15.893 1.00 0.00 C ATOM 621 O MET A 43 -3.664 -3.010 15.500 1.00 0.00 O ATOM 622 CB MET A 43 -5.666 -0.471 16.799 1.00 0.00 C ATOM 623 CG MET A 43 -6.198 -1.547 17.731 1.00 0.00 C ATOM 624 SD MET A 43 -7.742 -1.071 18.532 1.00 0.00 S ATOM 625 CE MET A 43 -8.788 -2.461 18.105 1.00 0.00 C ATOM 0 H MET A 43 -6.898 -1.901 15.218 1.00 0.00 H new ATOM 0 HA MET A 43 -4.704 -0.198 14.896 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.935 0.134 17.335 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.484 0.192 16.519 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.354 -2.466 17.167 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.450 -1.764 18.493 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.770 -2.331 18.560 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.894 -2.517 17.022 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.337 -3.382 18.473 1.00 0.00 H new ATOM 635 N GLY A 44 -2.875 -1.241 16.646 1.00 0.00 N ATOM 636 CA GLY A 44 -1.664 -1.933 17.049 1.00 0.00 C ATOM 637 C GLY A 44 -0.430 -1.061 16.928 1.00 0.00 C ATOM 638 O GLY A 44 -0.274 -0.327 15.952 1.00 0.00 O ATOM 0 H GLY A 44 -2.954 -0.282 16.984 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.768 -2.269 18.081 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.537 -2.824 16.434 1.00 0.00 H new ATOM 642 N GLY A 45 0.449 -1.141 17.921 1.00 0.00 N ATOM 643 CA GLY A 45 1.664 -0.349 17.902 1.00 0.00 C ATOM 644 C GLY A 45 2.530 -0.643 16.693 1.00 0.00 C ATOM 645 O GLY A 45 2.066 -1.237 15.720 1.00 0.00 O ATOM 0 H GLY A 45 0.341 -1.741 18.739 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.404 0.710 17.910 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.235 -0.544 18.810 1.00 0.00 H new ATOM 649 N ILE A 46 3.790 -0.226 16.753 1.00 0.00 N ATOM 650 CA ILE A 46 4.722 -0.448 15.654 1.00 0.00 C ATOM 651 C ILE A 46 5.420 -1.799 15.788 1.00 0.00 C ATOM 652 O ILE A 46 6.649 -1.882 15.764 1.00 0.00 O ATOM 653 CB ILE A 46 5.786 0.666 15.583 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.137 2.040 15.763 1.00 0.00 C ATOM 655 CG2 ILE A 46 6.537 0.598 14.262 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.050 2.333 14.753 1.00 0.00 C ATOM 0 H ILE A 46 4.189 0.268 17.551 1.00 0.00 H new ATOM 0 HA ILE A 46 4.135 -0.436 14.735 1.00 0.00 H new ATOM 0 HB ILE A 46 6.499 0.516 16.393 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.716 2.105 16.766 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.906 2.809 15.689 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.284 1.391 14.227 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.030 -0.370 14.173 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.835 0.725 13.438 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.635 3.323 14.942 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.469 2.301 13.747 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.261 1.586 14.841 1.00 0.00 H new ATOM 668 N TYR A 47 4.628 -2.857 15.930 1.00 0.00 N ATOM 669 CA TYR A 47 5.171 -4.204 16.068 1.00 0.00 C ATOM 670 C TYR A 47 4.056 -5.245 16.070 1.00 0.00 C ATOM 671 O TYR A 47 4.144 -6.262 16.758 1.00 0.00 O ATOM 672 CB TYR A 47 5.986 -4.315 17.356 1.00 0.00 C ATOM 673 CG TYR A 47 6.960 -5.472 17.360 1.00 0.00 C ATOM 674 CD1 TYR A 47 8.048 -5.491 16.497 1.00 0.00 C ATOM 675 CD2 TYR A 47 6.791 -6.544 18.227 1.00 0.00 C ATOM 676 CE1 TYR A 47 8.940 -6.546 16.497 1.00 0.00 C ATOM 677 CE2 TYR A 47 7.679 -7.603 18.233 1.00 0.00 C ATOM 678 CZ TYR A 47 8.752 -7.599 17.367 1.00 0.00 C ATOM 679 OH TYR A 47 9.638 -8.652 17.370 1.00 0.00 O ATOM 0 H TYR A 47 3.609 -2.808 15.953 1.00 0.00 H new ATOM 0 HA TYR A 47 5.820 -4.396 15.214 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.537 -3.387 17.508 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.304 -4.423 18.199 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.199 -4.668 15.815 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.952 -6.550 18.907 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.781 -6.546 15.819 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.533 -8.430 18.913 1.00 0.00 H new ATOM 0 HH TYR A 47 9.362 -9.309 18.042 1.00 0.00 H new ATOM 689 N ASP A 48 3.008 -4.985 15.297 1.00 0.00 N ATOM 690 CA ASP A 48 1.876 -5.901 15.211 1.00 0.00 C ATOM 691 C ASP A 48 1.173 -5.775 13.863 1.00 0.00 C ATOM 692 O ASP A 48 0.662 -4.710 13.515 1.00 0.00 O ATOM 693 CB ASP A 48 0.884 -5.626 16.343 1.00 0.00 C ATOM 694 CG ASP A 48 1.159 -6.472 17.570 1.00 0.00 C ATOM 695 OD1 ASP A 48 0.984 -7.706 17.492 1.00 0.00 O1- ATOM 696 OD2 ASP A 48 1.548 -5.901 18.610 1.00 0.00 O ATOM 0 H ASP A 48 2.918 -4.148 14.721 1.00 0.00 H new ATOM 0 HA ASP A 48 2.257 -6.918 15.308 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.930 -4.571 16.614 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.129 -5.821 15.990 1.00 0.00 H new ATOM 701 N ALA A 49 1.150 -6.869 13.109 1.00 0.00 N ATOM 702 CA ALA A 49 0.508 -6.880 11.800 1.00 0.00 C ATOM 703 C ALA A 49 0.308 -8.308 11.297 1.00 0.00 C ATOM 704 O ALA A 49 0.871 -8.700 10.274 1.00 0.00 O ATOM 705 CB ALA A 49 1.330 -6.077 10.804 1.00 0.00 C ATOM 0 H ALA A 49 1.568 -7.759 13.382 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.474 -6.418 11.900 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.840 -6.093 9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.416 -5.047 11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.325 -6.514 10.717 1.00 0.00 H new ATOM 711 N PRO A 50 -0.503 -9.107 12.011 1.00 0.00 N ATOM 712 CA PRO A 50 -0.776 -10.496 11.628 1.00 0.00 C ATOM 713 C PRO A 50 -1.262 -10.613 10.188 1.00 0.00 C ATOM 714 O PRO A 50 -1.067 -11.639 9.537 1.00 0.00 O ATOM 715 CB PRO A 50 -1.878 -10.926 12.600 1.00 0.00 C ATOM 716 CG PRO A 50 -1.713 -10.034 13.781 1.00 0.00 C ATOM 717 CD PRO A 50 -1.217 -8.721 13.242 1.00 0.00 C ATOM 0 HA PRO A 50 0.119 -11.115 11.679 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.866 -10.812 12.153 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.773 -11.975 12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.658 -9.907 14.309 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.004 -10.456 14.493 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.039 -8.036 13.032 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.557 -8.219 13.949 1.00 0.00 H new ATOM 725 N LEU A 51 -1.895 -9.552 9.697 1.00 0.00 N ATOM 726 CA LEU A 51 -2.410 -9.531 8.332 1.00 0.00 C ATOM 727 C LEU A 51 -3.391 -10.677 8.102 1.00 0.00 C ATOM 728 O LEU A 51 -3.102 -11.618 7.362 1.00 0.00 O ATOM 729 CB LEU A 51 -1.256 -9.612 7.329 1.00 0.00 C ATOM 730 CG LEU A 51 -1.421 -8.741 6.081 1.00 0.00 C ATOM 731 CD1 LEU A 51 -0.066 -8.269 5.574 1.00 0.00 C ATOM 732 CD2 LEU A 51 -2.164 -9.504 4.995 1.00 0.00 C ATOM 0 H LEU A 51 -2.064 -8.695 10.224 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.942 -8.592 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.334 -9.325 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.138 -10.650 7.017 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.009 -7.863 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.205 -7.651 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.429 -7.684 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.549 -9.133 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.273 -8.870 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.602 -10.400 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.150 -9.789 5.361 1.00 0.00 H new ATOM 744 N ASN A 52 -4.553 -10.592 8.742 1.00 0.00 N ATOM 745 CA ASN A 52 -5.578 -11.621 8.608 1.00 0.00 C ATOM 746 C ASN A 52 -5.996 -11.787 7.151 1.00 0.00 C ATOM 747 O ASN A 52 -6.350 -12.883 6.717 1.00 0.00 O ATOM 748 CB ASN A 52 -6.797 -11.270 9.463 1.00 0.00 C ATOM 749 CG ASN A 52 -7.315 -9.872 9.186 1.00 0.00 C ATOM 750 OD1 ASN A 52 -7.942 -9.622 8.156 1.00 0.00 O ATOM 751 ND2 ASN A 52 -7.053 -8.951 10.106 1.00 0.00 N ATOM 0 H ASN A 52 -4.808 -9.821 9.359 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.157 -12.564 8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.591 -11.993 9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.534 -11.355 10.517 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.375 -7.992 9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.530 -9.202 10.945 1.00 0.00 H new ATOM 758 N ASN A 53 -5.951 -10.692 6.399 1.00 0.00 N ATOM 759 CA ASN A 53 -6.323 -10.716 4.990 1.00 0.00 C ATOM 760 C ASN A 53 -5.110 -11.017 4.114 1.00 0.00 C ATOM 761 O ASN A 53 -4.814 -10.283 3.170 1.00 0.00 O ATOM 762 CB ASN A 53 -6.947 -9.379 4.584 1.00 0.00 C ATOM 763 CG ASN A 53 -5.984 -8.219 4.746 1.00 0.00 C ATOM 764 OD1 ASN A 53 -5.202 -7.916 3.845 1.00 0.00 O ATOM 765 ND2 ASN A 53 -6.037 -7.563 5.899 1.00 0.00 N ATOM 0 H ASN A 53 -5.660 -9.777 6.743 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.057 -11.508 4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.274 -9.434 3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.836 -9.197 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.413 -6.773 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.701 -7.849 6.618 1.00 0.00 H new ATOM 772 N GLU A 54 -4.412 -12.101 4.434 1.00 0.00 N ATOM 773 CA GLU A 54 -3.230 -12.500 3.677 1.00 0.00 C ATOM 774 C GLU A 54 -3.584 -13.513 2.590 1.00 0.00 C ATOM 775 O GLU A 54 -2.709 -14.198 2.062 1.00 0.00 O ATOM 776 CB GLU A 54 -2.176 -13.092 4.615 1.00 0.00 C ATOM 777 CG GLU A 54 -2.621 -14.376 5.297 1.00 0.00 C ATOM 778 CD GLU A 54 -1.503 -15.395 5.405 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.440 -15.053 5.965 1.00 0.00 O ATOM 780 OE2 GLU A 54 -1.692 -16.535 4.931 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.643 -12.719 5.212 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.825 -11.610 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.266 -13.288 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.924 -12.354 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.993 -14.143 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.451 -14.810 4.740 1.00 0.00 H new ATOM 787 N ASN A 55 -4.870 -13.605 2.258 1.00 0.00 N ATOM 788 CA ASN A 55 -5.329 -14.535 1.234 1.00 0.00 C ATOM 789 C ASN A 55 -4.643 -14.259 -0.100 1.00 0.00 C ATOM 790 O ASN A 55 -4.429 -15.170 -0.900 1.00 0.00 O ATOM 791 CB ASN A 55 -6.847 -14.437 1.069 1.00 0.00 C ATOM 792 CG ASN A 55 -7.305 -13.026 0.757 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.026 -12.090 1.508 1.00 0.00 O ATOM 794 ND2 ASN A 55 -8.011 -12.865 -0.356 1.00 0.00 N ATOM 0 H ASN A 55 -5.610 -13.047 2.684 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.069 -15.544 1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.167 -15.105 0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.332 -14.780 1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.345 -11.938 -0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.219 -13.669 -0.949 1.00 0.00 H new ATOM 801 N GLY A 56 -4.299 -12.996 -0.333 1.00 0.00 N ATOM 802 CA GLY A 56 -3.639 -12.623 -1.570 1.00 0.00 C ATOM 803 C GLY A 56 -4.358 -11.503 -2.297 1.00 0.00 C ATOM 804 O GLY A 56 -3.729 -10.558 -2.773 1.00 0.00 O ATOM 0 H GLY A 56 -4.466 -12.225 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.616 -12.314 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.577 -13.494 -2.222 1.00 0.00 H new ATOM 808 N PHE A 57 -5.680 -11.610 -2.383 1.00 0.00 N ATOM 809 CA PHE A 57 -6.487 -10.600 -3.057 1.00 0.00 C ATOM 810 C PHE A 57 -6.427 -9.269 -2.315 1.00 0.00 C ATOM 811 O PHE A 57 -6.296 -8.210 -2.929 1.00 0.00 O ATOM 812 CB PHE A 57 -7.939 -11.069 -3.169 1.00 0.00 C ATOM 813 CG PHE A 57 -8.637 -10.574 -4.403 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.451 -11.208 -5.622 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.479 -9.476 -4.345 1.00 0.00 C ATOM 816 CE1 PHE A 57 -9.093 -10.755 -6.759 1.00 0.00 C ATOM 817 CE2 PHE A 57 -10.124 -9.018 -5.479 1.00 0.00 C ATOM 818 CZ PHE A 57 -9.930 -9.659 -6.687 1.00 0.00 C ATOM 0 H PHE A 57 -6.215 -12.386 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.080 -10.455 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.962 -12.159 -3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.490 -10.732 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.797 -12.065 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.634 -8.971 -3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.940 -11.258 -7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.778 -8.161 -5.420 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.432 -9.303 -7.574 1.00 0.00 H new ATOM 828 N ASP A 58 -6.526 -9.330 -0.991 1.00 0.00 N ATOM 829 CA ASP A 58 -6.484 -8.129 -0.165 1.00 0.00 C ATOM 830 C ASP A 58 -5.103 -7.484 -0.207 1.00 0.00 C ATOM 831 O ASP A 58 -4.971 -6.292 -0.483 1.00 0.00 O ATOM 832 CB ASP A 58 -6.859 -8.465 1.279 1.00 0.00 C ATOM 833 CG ASP A 58 -7.200 -7.231 2.091 1.00 0.00 C ATOM 834 OD1 ASP A 58 -6.679 -6.144 1.765 1.00 0.00 O ATOM 835 OD2 ASP A 58 -7.988 -7.352 3.052 1.00 0.00 O1- ATOM 0 H ASP A 58 -6.636 -10.198 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.207 -7.419 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.711 -9.145 1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.031 -8.991 1.753 1.00 0.00 H new ATOM 840 N LYS A 59 -4.074 -8.281 0.069 1.00 0.00 N ATOM 841 CA LYS A 59 -2.702 -7.787 0.063 1.00 0.00 C ATOM 842 C LYS A 59 -2.342 -7.188 -1.294 1.00 0.00 C ATOM 843 O LYS A 59 -1.694 -6.144 -1.371 1.00 0.00 O ATOM 844 CB LYS A 59 -1.730 -8.918 0.414 1.00 0.00 C ATOM 845 CG LYS A 59 -1.543 -9.935 -0.702 1.00 0.00 C ATOM 846 CD LYS A 59 -0.534 -11.007 -0.319 1.00 0.00 C ATOM 847 CE LYS A 59 0.525 -11.187 -1.394 1.00 0.00 C ATOM 848 NZ LYS A 59 0.915 -12.615 -1.557 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.165 -9.270 0.299 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.621 -7.002 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.761 -8.487 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.092 -9.432 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.500 -10.402 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.209 -9.426 -1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.056 -10.738 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.051 -11.952 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.148 -10.803 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.405 -10.597 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.507 -12.718 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.450 -12.926 -0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.060 -13.199 -1.658 1.00 0.00 H new ATOM 862 N GLU A 60 -2.766 -7.858 -2.360 1.00 0.00 N ATOM 863 CA GLU A 60 -2.489 -7.394 -3.714 1.00 0.00 C ATOM 864 C GLU A 60 -3.236 -6.098 -4.011 1.00 0.00 C ATOM 865 O GLU A 60 -2.676 -5.165 -4.586 1.00 0.00 O ATOM 866 CB GLU A 60 -2.880 -8.467 -4.733 1.00 0.00 C ATOM 867 CG GLU A 60 -1.828 -9.550 -4.909 1.00 0.00 C ATOM 868 CD GLU A 60 -1.644 -9.954 -6.358 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.621 -9.856 -7.131 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 -0.523 -10.368 -6.721 1.00 0.00 O ATOM 0 H GLU A 60 -3.303 -8.724 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.419 -7.200 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.817 -8.929 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.065 -7.992 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.877 -9.196 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.112 -10.425 -4.325 1.00 0.00 H new ATOM 877 N ASP A 61 -4.504 -6.048 -3.615 1.00 0.00 N ATOM 878 CA ASP A 61 -5.329 -4.866 -3.840 1.00 0.00 C ATOM 879 C ASP A 61 -4.713 -3.638 -3.177 1.00 0.00 C ATOM 880 O ASP A 61 -4.633 -2.568 -3.781 1.00 0.00 O ATOM 881 CB ASP A 61 -6.742 -5.095 -3.301 1.00 0.00 C ATOM 882 CG ASP A 61 -7.673 -5.672 -4.349 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.899 -5.001 -5.377 1.00 0.00 O ATOM 884 OD2 ASP A 61 -8.177 -6.796 -4.141 1.00 0.00 O1- ATOM 0 H ASP A 61 -4.982 -6.812 -3.137 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.381 -4.689 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.697 -5.771 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.148 -4.150 -2.939 1.00 0.00 H new ATOM 889 N LEU A 62 -4.279 -3.800 -1.931 1.00 0.00 N ATOM 890 CA LEU A 62 -3.670 -2.704 -1.185 1.00 0.00 C ATOM 891 C LEU A 62 -2.341 -2.291 -1.811 1.00 0.00 C ATOM 892 O LEU A 62 -2.128 -1.119 -2.120 1.00 0.00 O ATOM 893 CB LEU A 62 -3.460 -3.111 0.276 1.00 0.00 C ATOM 894 CG LEU A 62 -2.707 -2.094 1.140 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.177 -0.677 0.847 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.888 -2.419 2.614 1.00 0.00 C ATOM 0 H LEU A 62 -4.338 -4.679 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.346 -1.850 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.435 -3.295 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.915 -4.055 0.298 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.647 -2.156 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.627 0.026 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.998 -0.444 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.243 -0.596 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.348 -1.689 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.948 -2.385 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.498 -3.416 2.817 1.00 0.00 H new ATOM 908 N ALA A 63 -1.450 -3.261 -1.995 1.00 0.00 N ATOM 909 CA ALA A 63 -0.141 -2.996 -2.585 1.00 0.00 C ATOM 910 C ALA A 63 -0.274 -2.243 -3.905 1.00 0.00 C ATOM 911 O ALA A 63 0.320 -1.179 -4.088 1.00 0.00 O ATOM 912 CB ALA A 63 0.618 -4.299 -2.793 1.00 0.00 C ATOM 0 H ALA A 63 -1.610 -4.237 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 63 0.420 -2.367 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.592 -4.086 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.755 -4.798 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.051 -4.947 -3.461 1.00 0.00 H new ATOM 918 N ARG A 64 -1.062 -2.798 -4.821 1.00 0.00 N ATOM 919 CA ARG A 64 -1.277 -2.175 -6.122 1.00 0.00 C ATOM 920 C ARG A 64 -1.942 -0.812 -5.963 1.00 0.00 C ATOM 921 O ARG A 64 -1.620 0.135 -6.680 1.00 0.00 O ATOM 922 CB ARG A 64 -2.139 -3.077 -7.007 1.00 0.00 C ATOM 923 CG ARG A 64 -1.848 -2.930 -8.491 1.00 0.00 C ATOM 924 CD ARG A 64 -2.255 -1.559 -9.006 1.00 0.00 C ATOM 925 NE ARG A 64 -2.685 -1.604 -10.402 1.00 0.00 N ATOM 926 CZ ARG A 64 -1.849 -1.701 -11.432 1.00 0.00 C ATOM 927 NH1 ARG A 64 -0.539 -1.764 -11.229 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -2.324 -1.736 -12.670 1.00 0.00 N ATOM 0 H ARG A 64 -1.562 -3.677 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.306 -2.035 -6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.982 -4.115 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.190 -2.851 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.784 -3.086 -8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.382 -3.701 -9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.064 -1.166 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.416 -0.871 -8.907 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.685 -1.558 -10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.168 -1.738 -10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.097 -1.838 -12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.330 -1.689 -12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.683 -1.810 -13.460 1.00 0.00 H new ATOM 942 N PHE A 65 -2.872 -0.723 -5.017 1.00 0.00 N ATOM 943 CA PHE A 65 -3.584 0.522 -4.759 1.00 0.00 C ATOM 944 C PHE A 65 -2.611 1.637 -4.390 1.00 0.00 C ATOM 945 O PHE A 65 -2.572 2.679 -5.043 1.00 0.00 O ATOM 946 CB PHE A 65 -4.605 0.325 -3.636 1.00 0.00 C ATOM 947 CG PHE A 65 -5.377 1.568 -3.297 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.246 2.132 -4.216 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.232 2.172 -2.058 1.00 0.00 C ATOM 950 CE1 PHE A 65 -6.957 3.276 -3.907 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.940 3.316 -1.743 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.804 3.869 -2.668 1.00 0.00 C ATOM 0 H PHE A 65 -3.150 -1.499 -4.417 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.108 0.810 -5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.305 -0.459 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.087 -0.025 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.369 1.672 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.558 1.744 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.631 3.706 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.818 3.777 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.359 4.763 -2.424 1.00 0.00 H new ATOM 962 N ALA A 66 -1.825 1.410 -3.342 1.00 0.00 N ATOM 963 CA ALA A 66 -0.850 2.395 -2.889 1.00 0.00 C ATOM 964 C ALA A 66 0.136 2.741 -4.000 1.00 0.00 C ATOM 965 O ALA A 66 0.318 3.911 -4.343 1.00 0.00 O ATOM 966 CB ALA A 66 -0.109 1.879 -1.663 1.00 0.00 C ATOM 0 H ALA A 66 -1.845 0.552 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.386 3.305 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.616 2.624 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.822 1.689 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.410 0.954 -1.914 1.00 0.00 H new ATOM 972 N VAL A 67 0.768 1.715 -4.563 1.00 0.00 N ATOM 973 CA VAL A 67 1.734 1.911 -5.638 1.00 0.00 C ATOM 974 C VAL A 67 1.142 2.770 -6.751 1.00 0.00 C ATOM 975 O VAL A 67 1.741 3.760 -7.171 1.00 0.00 O ATOM 976 CB VAL A 67 2.197 0.565 -6.232 1.00 0.00 C ATOM 977 CG1 VAL A 67 3.259 0.784 -7.299 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.716 -0.354 -5.135 1.00 0.00 C ATOM 0 H VAL A 67 0.629 0.741 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 67 2.595 2.420 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 67 1.338 0.085 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.571 -0.178 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.849 1.399 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.119 1.288 -6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.038 -1.298 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.560 0.119 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.922 -0.542 -4.412 1.00 0.00 H new ATOM 988 N ARG A 68 -0.041 2.387 -7.218 1.00 0.00 N ATOM 989 CA ARG A 68 -0.719 3.123 -8.277 1.00 0.00 C ATOM 990 C ARG A 68 -1.145 4.505 -7.788 1.00 0.00 C ATOM 991 O ARG A 68 -1.245 5.447 -8.575 1.00 0.00 O ATOM 992 CB ARG A 68 -1.938 2.337 -8.768 1.00 0.00 C ATOM 993 CG ARG A 68 -2.788 3.090 -9.779 1.00 0.00 C ATOM 994 CD ARG A 68 -3.868 2.200 -10.373 1.00 0.00 C ATOM 995 NE ARG A 68 -5.164 2.411 -9.733 1.00 0.00 N ATOM 996 CZ ARG A 68 -6.325 2.042 -10.270 1.00 0.00 C ATOM 997 NH1 ARG A 68 -6.356 1.445 -11.455 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -7.458 2.271 -9.621 1.00 0.00 N ATOM 0 H ARG A 68 -0.550 1.571 -6.879 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.023 3.252 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.600 1.403 -9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.558 2.073 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.250 3.952 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.152 3.474 -10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.955 2.399 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.576 1.155 -10.266 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.180 2.868 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.487 1.267 -11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.248 1.164 -11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.440 2.730 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.348 1.988 -10.032 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.392 4.620 -6.487 1.00 0.00 N ATOM 1013 CA GLU A 69 -1.805 5.888 -5.895 1.00 0.00 C ATOM 1014 C GLU A 69 -0.690 6.923 -6.002 1.00 0.00 C ATOM 1015 O GLU A 69 -0.937 8.086 -6.321 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.196 5.687 -4.429 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.639 6.059 -4.128 1.00 0.00 C ATOM 1018 CD GLU A 69 -3.777 7.470 -3.589 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -3.000 8.348 -4.019 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -4.662 7.696 -2.737 1.00 0.00 O ATOM 0 H GLU A 69 -1.313 3.850 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.671 6.255 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.034 4.644 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.536 6.285 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.233 5.961 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.048 5.355 -3.403 1.00 0.00 H new ATOM 1027 N TYR A 70 0.537 6.492 -5.733 1.00 0.00 N ATOM 1028 CA TYR A 70 1.690 7.383 -5.800 1.00 0.00 C ATOM 1029 C TYR A 70 2.295 7.399 -7.204 1.00 0.00 C ATOM 1030 O TYR A 70 3.037 8.314 -7.560 1.00 0.00 O ATOM 1031 CB TYR A 70 2.743 6.961 -4.766 1.00 0.00 C ATOM 1032 CG TYR A 70 3.799 6.017 -5.302 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.901 6.499 -5.996 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.692 4.645 -5.113 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.867 5.641 -6.488 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.653 3.780 -5.601 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.738 4.283 -6.287 1.00 0.00 C ATOM 1038 OH TYR A 70 6.696 3.425 -6.775 1.00 0.00 O ATOM 0 H TYR A 70 0.759 5.533 -5.467 1.00 0.00 H new ATOM 0 HA TYR A 70 1.354 8.394 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.233 7.854 -4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.239 6.484 -3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.005 7.562 -6.154 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.844 4.248 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.718 6.032 -7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.555 2.716 -5.446 1.00 0.00 H new ATOM 0 HH TYR A 70 6.971 2.805 -6.068 1.00 0.00 H new ATOM 1048 N ASN A 71 1.982 6.375 -7.993 1.00 0.00 N ATOM 1049 CA ASN A 71 2.504 6.269 -9.351 1.00 0.00 C ATOM 1050 C ASN A 71 1.647 7.049 -10.346 1.00 0.00 C ATOM 1051 O ASN A 71 2.135 7.476 -11.392 1.00 0.00 O ATOM 1052 CB ASN A 71 2.582 4.801 -9.772 1.00 0.00 C ATOM 1053 CG ASN A 71 3.858 4.133 -9.299 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.838 3.302 -8.391 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.978 4.495 -9.914 1.00 0.00 N ATOM 0 H ASN A 71 1.370 5.608 -7.715 1.00 0.00 H new ATOM 0 HA ASN A 71 3.504 6.703 -9.356 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.723 4.264 -9.370 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.520 4.733 -10.858 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.868 4.080 -9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.948 5.188 -10.662 1.00 0.00 H new ATOM 1062 N ASN A 72 0.370 7.229 -10.022 1.00 0.00 N ATOM 1063 CA ASN A 72 -0.541 7.953 -10.901 1.00 0.00 C ATOM 1064 C ASN A 72 -0.409 9.463 -10.712 1.00 0.00 C ATOM 1065 O ASN A 72 -0.539 10.231 -11.666 1.00 0.00 O ATOM 1066 CB ASN A 72 -1.989 7.507 -10.653 1.00 0.00 C ATOM 1067 CG ASN A 72 -2.648 8.240 -9.497 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -2.526 7.686 -8.297 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -3.260 9.292 -9.682 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.056 6.885 -9.161 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.272 7.719 -11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.573 7.669 -11.559 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.004 6.436 -10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.329 9.683 -10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.698 9.772 -8.896 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.158 9.882 -9.476 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.017 11.301 -9.160 1.00 0.00 C ATOM 1078 C LYS A 73 0.991 11.981 -10.085 1.00 0.00 C ATOM 1079 O LYS A 73 0.750 13.087 -10.569 1.00 0.00 O ATOM 1080 CB LYS A 73 0.404 11.491 -7.700 1.00 0.00 C ATOM 1081 CG LYS A 73 1.432 10.480 -7.221 1.00 0.00 C ATOM 1082 CD LYS A 73 2.006 10.867 -5.868 1.00 0.00 C ATOM 1083 CE LYS A 73 3.489 10.546 -5.780 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.212 11.496 -4.890 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.048 9.260 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.990 11.768 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.811 12.495 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.480 11.425 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.971 9.495 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.238 10.405 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.853 11.933 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.471 10.338 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.619 9.530 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.927 10.578 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.220 11.242 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.110 12.463 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.811 11.447 -3.931 1.00 0.00 H new ATOM 1098 N ASN A 74 2.117 11.317 -10.328 1.00 0.00 N ATOM 1099 CA ASN A 74 3.153 11.869 -11.197 1.00 0.00 C ATOM 1100 C ASN A 74 4.306 10.885 -11.383 1.00 0.00 C ATOM 1101 O ASN A 74 4.880 10.786 -12.467 1.00 0.00 O ATOM 1102 CB ASN A 74 3.677 13.193 -10.627 1.00 0.00 C ATOM 1103 CG ASN A 74 4.606 12.998 -9.441 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.087 12.405 -8.373 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 5.776 13.375 -9.488 1.00 0.00 N flip ATOM 0 H ASN A 74 2.336 10.400 -9.938 1.00 0.00 H new ATOM 0 HA ASN A 74 2.705 12.053 -12.174 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.205 13.737 -11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.833 13.812 -10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.133 13.827 -10.330 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.389 13.236 -8.685 1.00 0.00 H new ATOM 1112 N ASN A 75 4.646 10.166 -10.316 1.00 0.00 N ATOM 1113 CA ASN A 75 5.737 9.195 -10.356 1.00 0.00 C ATOM 1114 C ASN A 75 5.649 8.309 -11.597 1.00 0.00 C ATOM 1115 O ASN A 75 4.644 8.317 -12.308 1.00 0.00 O ATOM 1116 CB ASN A 75 5.724 8.330 -9.093 1.00 0.00 C ATOM 1117 CG ASN A 75 7.100 8.191 -8.474 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.519 9.023 -7.669 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.814 7.135 -8.847 1.00 0.00 N ATOM 0 H ASN A 75 4.181 10.238 -9.411 1.00 0.00 H new ATOM 0 HA ASN A 75 6.674 9.749 -10.402 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.043 8.768 -8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.337 7.341 -9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.748 6.989 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.428 6.470 -9.517 1.00 0.00 H new ATOM 1126 N ALA A 76 6.709 7.548 -11.850 1.00 0.00 N ATOM 1127 CA ALA A 76 6.756 6.658 -13.005 1.00 0.00 C ATOM 1128 C ALA A 76 5.606 5.657 -12.979 1.00 0.00 C ATOM 1129 O ALA A 76 4.682 5.778 -12.176 1.00 0.00 O ATOM 1130 CB ALA A 76 8.091 5.929 -13.054 1.00 0.00 C ATOM 0 H ALA A 76 7.548 7.530 -11.270 1.00 0.00 H new ATOM 0 HA ALA A 76 6.651 7.266 -13.904 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.113 5.268 -13.921 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.900 6.656 -13.131 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.218 5.340 -12.145 1.00 0.00 H new ATOM 1136 N LEU A 77 5.671 4.668 -13.865 1.00 0.00 N ATOM 1137 CA LEU A 77 4.635 3.644 -13.946 1.00 0.00 C ATOM 1138 C LEU A 77 5.238 2.248 -13.816 1.00 0.00 C ATOM 1139 O LEU A 77 5.618 1.630 -14.810 1.00 0.00 O ATOM 1140 CB LEU A 77 3.871 3.765 -15.267 1.00 0.00 C ATOM 1141 CG LEU A 77 2.348 3.692 -15.143 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.933 2.429 -14.404 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.812 4.927 -14.436 1.00 0.00 C ATOM 0 H LEU A 77 6.430 4.554 -14.537 1.00 0.00 H new ATOM 0 HA LEU A 77 3.941 3.797 -13.119 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.137 4.711 -15.738 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.204 2.972 -15.936 1.00 0.00 H new ATOM 0 HG LEU A 77 1.921 3.658 -16.145 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.846 2.394 -14.325 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.285 1.555 -14.951 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.369 2.432 -13.405 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.727 4.859 -14.356 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.246 4.992 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.078 5.817 -15.006 1.00 0.00 H new ATOM 1155 N LEU A 78 5.319 1.758 -12.583 1.00 0.00 N ATOM 1156 CA LEU A 78 5.873 0.434 -12.320 1.00 0.00 C ATOM 1157 C LEU A 78 4.769 -0.546 -11.937 1.00 0.00 C ATOM 1158 O LEU A 78 3.588 -0.199 -11.952 1.00 0.00 O ATOM 1159 CB LEU A 78 6.923 0.505 -11.208 1.00 0.00 C ATOM 1160 CG LEU A 78 6.678 1.580 -10.147 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.393 1.295 -9.387 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.859 1.664 -9.191 1.00 0.00 C ATOM 0 H LEU A 78 5.008 2.258 -11.750 1.00 0.00 H new ATOM 0 HA LEU A 78 6.351 0.078 -13.232 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.972 -0.465 -10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.898 0.681 -11.662 1.00 0.00 H new ATOM 0 HG LEU A 78 6.573 2.542 -10.648 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.235 2.070 -8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.553 1.286 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.468 0.325 -8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.668 2.434 -8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.995 0.703 -8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.761 1.916 -9.748 1.00 0.00 H new ATOM 1174 N GLU A 79 5.156 -1.772 -11.596 1.00 0.00 N ATOM 1175 CA GLU A 79 4.188 -2.795 -11.214 1.00 0.00 C ATOM 1176 C GLU A 79 4.692 -3.615 -10.030 1.00 0.00 C ATOM 1177 O GLU A 79 5.837 -4.064 -10.015 1.00 0.00 O ATOM 1178 CB GLU A 79 3.897 -3.717 -12.399 1.00 0.00 C ATOM 1179 CG GLU A 79 5.148 -4.281 -13.053 1.00 0.00 C ATOM 1180 CD GLU A 79 4.926 -4.662 -14.504 1.00 0.00 C ATOM 1181 OE1 GLU A 79 4.521 -3.783 -15.293 1.00 0.00 O ATOM 1182 OE2 GLU A 79 5.157 -5.840 -14.850 1.00 0.00 O1- ATOM 0 H GLU A 79 6.128 -2.080 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 79 3.268 -2.292 -10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.270 -4.542 -12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.324 -3.166 -13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.949 -3.544 -12.993 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.480 -5.158 -12.498 1.00 0.00 H new ATOM 1189 N PHE A 80 3.824 -3.809 -9.042 1.00 0.00 N ATOM 1190 CA PHE A 80 4.176 -4.578 -7.854 1.00 0.00 C ATOM 1191 C PHE A 80 4.005 -6.075 -8.110 1.00 0.00 C ATOM 1192 O PHE A 80 3.150 -6.484 -8.896 1.00 0.00 O ATOM 1193 CB PHE A 80 3.321 -4.132 -6.658 1.00 0.00 C ATOM 1194 CG PHE A 80 2.141 -5.022 -6.379 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.987 -4.927 -7.140 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.192 -5.958 -5.358 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.094 -5.750 -6.888 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.113 -6.782 -5.101 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.031 -6.678 -5.868 1.00 0.00 C ATOM 0 H PHE A 80 2.872 -3.444 -9.041 1.00 0.00 H new ATOM 0 HA PHE A 80 5.224 -4.392 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.951 -4.093 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.963 -3.119 -6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.932 -4.202 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.085 -6.044 -4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.988 -5.667 -7.489 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.164 -7.506 -4.302 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.875 -7.322 -5.670 1.00 0.00 H new ATOM 1209 N VAL A 81 4.819 -6.886 -7.443 1.00 0.00 N ATOM 1210 CA VAL A 81 4.747 -8.333 -7.604 1.00 0.00 C ATOM 1211 C VAL A 81 4.078 -8.991 -6.401 1.00 0.00 C ATOM 1212 O VAL A 81 3.358 -9.978 -6.546 1.00 0.00 O ATOM 1213 CB VAL A 81 6.144 -8.953 -7.807 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.754 -8.475 -9.116 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.059 -8.629 -6.633 1.00 0.00 C ATOM 0 H VAL A 81 5.533 -6.567 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 81 4.147 -8.518 -8.495 1.00 0.00 H new ATOM 0 HB VAL A 81 6.033 -10.036 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.740 -8.923 -9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.112 -8.770 -9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.848 -7.389 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.038 -9.078 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.166 -7.548 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.629 -9.029 -5.715 1.00 0.00 H new ATOM 1225 N ARG A 82 4.316 -8.435 -5.215 1.00 0.00 N ATOM 1226 CA ARG A 82 3.733 -8.965 -3.984 1.00 0.00 C ATOM 1227 C ARG A 82 4.276 -8.227 -2.765 1.00 0.00 C ATOM 1228 O ARG A 82 5.294 -7.539 -2.846 1.00 0.00 O ATOM 1229 CB ARG A 82 4.023 -10.458 -3.850 1.00 0.00 C ATOM 1230 CG ARG A 82 5.499 -10.781 -3.926 1.00 0.00 C ATOM 1231 CD ARG A 82 5.740 -12.237 -4.293 1.00 0.00 C ATOM 1232 NE ARG A 82 6.641 -12.371 -5.435 1.00 0.00 N ATOM 1233 CZ ARG A 82 6.258 -12.228 -6.702 1.00 0.00 C ATOM 1234 NH1 ARG A 82 4.994 -11.945 -6.994 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 7.141 -12.369 -7.681 1.00 0.00 N ATOM 0 H ARG A 82 4.909 -7.616 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 82 2.655 -8.815 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.627 -10.816 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.497 -10.997 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.975 -10.136 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.968 -10.566 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.161 -12.762 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.788 -12.715 -4.524 1.00 0.00 H new ATOM 0 HE ARG A 82 7.621 -12.587 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.310 -11.836 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.707 -11.837 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.113 -12.587 -7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.848 -12.260 -8.652 1.00 0.00 H new ATOM 1249 N VAL A 83 3.592 -8.376 -1.634 1.00 0.00 N ATOM 1250 CA VAL A 83 4.009 -7.724 -0.400 1.00 0.00 C ATOM 1251 C VAL A 83 4.993 -8.594 0.378 1.00 0.00 C ATOM 1252 O VAL A 83 4.851 -9.816 0.430 1.00 0.00 O ATOM 1253 CB VAL A 83 2.798 -7.394 0.498 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.733 -6.646 -0.290 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.220 -8.660 1.119 1.00 0.00 C ATOM 0 H VAL A 83 2.748 -8.942 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 83 4.502 -6.794 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 83 3.142 -6.749 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.888 -6.423 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.151 -5.715 -0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.396 -7.263 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.368 -8.401 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.896 -9.337 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.983 -9.149 1.725 1.00 0.00 H new ATOM 1265 N VAL A 84 5.988 -7.955 0.983 1.00 0.00 N ATOM 1266 CA VAL A 84 6.995 -8.667 1.760 1.00 0.00 C ATOM 1267 C VAL A 84 6.953 -8.267 3.236 1.00 0.00 C ATOM 1268 O VAL A 84 7.546 -8.936 4.082 1.00 0.00 O ATOM 1269 CB VAL A 84 8.411 -8.410 1.208 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.753 -6.928 1.269 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.441 -9.236 1.966 1.00 0.00 C ATOM 0 H VAL A 84 6.119 -6.944 0.950 1.00 0.00 H new ATOM 0 HA VAL A 84 6.763 -9.729 1.675 1.00 0.00 H new ATOM 0 HB VAL A 84 8.431 -8.718 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.757 -6.770 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.036 -6.364 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.712 -6.587 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.434 -9.040 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.420 -8.965 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.208 -10.295 1.859 1.00 0.00 H new ATOM 1281 N LYS A 85 6.254 -7.176 3.543 1.00 0.00 N ATOM 1282 CA LYS A 85 6.151 -6.704 4.920 1.00 0.00 C ATOM 1283 C LYS A 85 4.807 -6.026 5.171 1.00 0.00 C ATOM 1284 O LYS A 85 4.158 -5.548 4.241 1.00 0.00 O ATOM 1285 CB LYS A 85 7.287 -5.729 5.237 1.00 0.00 C ATOM 1286 CG LYS A 85 8.621 -6.123 4.624 1.00 0.00 C ATOM 1287 CD LYS A 85 9.766 -5.318 5.217 1.00 0.00 C ATOM 1288 CE LYS A 85 11.064 -5.559 4.464 1.00 0.00 C ATOM 1289 NZ LYS A 85 11.936 -6.546 5.160 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.754 -6.606 2.861 1.00 0.00 H new ATOM 0 HA LYS A 85 6.229 -7.572 5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.012 -4.737 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.401 -5.658 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.799 -7.186 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.587 -5.969 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.519 -4.257 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.897 -5.587 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.840 -5.918 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.600 -4.616 4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.811 -6.682 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.172 -6.192 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.435 -7.454 5.243 1.00 0.00 H new ATOM 1303 N ALA A 86 4.400 -5.987 6.436 1.00 0.00 N ATOM 1304 CA ALA A 86 3.136 -5.366 6.815 1.00 0.00 C ATOM 1305 C ALA A 86 3.143 -4.957 8.285 1.00 0.00 C ATOM 1306 O ALA A 86 3.495 -5.749 9.158 1.00 0.00 O ATOM 1307 CB ALA A 86 1.980 -6.314 6.536 1.00 0.00 C ATOM 0 H ALA A 86 4.928 -6.378 7.216 1.00 0.00 H new ATOM 0 HA ALA A 86 3.008 -4.465 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.042 -5.839 6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.955 -6.554 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.114 -7.230 7.111 1.00 0.00 H new ATOM 1313 N LYS A 87 2.753 -3.714 8.550 1.00 0.00 N ATOM 1314 CA LYS A 87 2.714 -3.197 9.914 1.00 0.00 C ATOM 1315 C LYS A 87 1.440 -2.395 10.156 1.00 0.00 C ATOM 1316 O LYS A 87 0.893 -1.787 9.235 1.00 0.00 O ATOM 1317 CB LYS A 87 3.941 -2.324 10.185 1.00 0.00 C ATOM 1318 CG LYS A 87 5.222 -3.119 10.378 1.00 0.00 C ATOM 1319 CD LYS A 87 5.952 -3.326 9.060 1.00 0.00 C ATOM 1320 CE LYS A 87 6.905 -4.508 9.131 1.00 0.00 C ATOM 1321 NZ LYS A 87 6.237 -5.729 9.659 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.459 -3.046 7.838 1.00 0.00 H new ATOM 0 HA LYS A 87 2.722 -4.045 10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.075 -1.631 9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.759 -1.722 11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.874 -2.597 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.988 -4.087 10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.227 -3.489 8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.508 -2.424 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.303 -4.713 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.752 -4.254 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.648 -6.572 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.376 -5.783 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.219 -5.686 9.449 1.00 0.00 H new ATOM 1335 N GLU A 88 0.970 -2.397 11.400 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.241 -1.669 11.761 1.00 0.00 C ATOM 1337 C GLU A 88 0.080 -0.499 12.687 1.00 0.00 C ATOM 1338 O GLU A 88 0.831 -0.646 13.651 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.243 -2.606 12.439 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.462 -3.909 11.687 1.00 0.00 C ATOM 1341 CD GLU A 88 -2.805 -3.958 10.984 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -3.396 -2.882 10.757 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -3.266 -5.073 10.662 1.00 0.00 O ATOM 0 H GLU A 88 1.410 -2.895 12.174 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.682 -1.275 10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.893 -2.832 13.446 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.198 -2.090 12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.667 -4.039 10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.391 -4.743 12.385 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.493 0.661 12.386 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.269 1.858 13.191 1.00 0.00 C ATOM 1352 C GLN A 89 -1.585 2.577 13.471 1.00 0.00 C ATOM 1353 O GLN A 89 -2.564 2.405 12.746 1.00 0.00 O ATOM 1354 CB GLN A 89 0.702 2.807 12.484 1.00 0.00 C ATOM 1355 CG GLN A 89 1.768 2.095 11.665 1.00 0.00 C ATOM 1356 CD GLN A 89 3.110 2.796 11.718 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.194 4.016 11.573 1.00 0.00 O ATOM 1358 NE2 GLN A 89 4.171 2.025 11.925 1.00 0.00 N ATOM 0 H GLN A 89 -1.116 0.799 11.590 1.00 0.00 H new ATOM 0 HA GLN A 89 0.168 1.548 14.140 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.136 3.470 11.829 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.189 3.435 13.230 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.881 1.075 12.031 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.439 2.027 10.628 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.055 1.018 12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.102 2.440 11.969 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.600 3.384 14.528 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.796 4.129 14.902 1.00 0.00 C ATOM 1369 C VAL A 90 -2.513 5.625 14.981 1.00 0.00 C ATOM 1370 O VAL A 90 -1.697 6.071 15.788 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.354 3.653 16.257 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.705 4.292 16.534 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.457 2.135 16.288 1.00 0.00 C ATOM 0 H VAL A 90 -0.798 3.538 15.139 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.538 3.943 14.125 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.665 3.964 17.042 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.082 3.943 17.495 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.596 5.376 16.559 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.407 4.015 15.747 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.853 1.817 17.252 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.123 1.799 15.494 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.468 1.700 16.140 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.193 6.395 14.138 1.00 0.00 N ATOM 1384 CA VAL A 91 -3.018 7.843 14.110 1.00 0.00 C ATOM 1385 C VAL A 91 -4.210 8.526 13.450 1.00 0.00 C ATOM 1386 O VAL A 91 -4.334 8.533 12.225 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.732 8.241 13.361 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.507 7.983 14.224 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.630 7.494 12.040 1.00 0.00 C ATOM 0 H VAL A 91 -3.871 6.040 13.464 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.941 8.172 15.146 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.776 9.309 13.146 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.391 8.271 13.677 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.577 8.570 15.140 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.455 6.923 14.475 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.715 7.788 11.525 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.611 6.421 12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.491 7.737 11.417 1.00 0.00 H new ATOM 1399 N SER A 92 -5.088 9.097 14.269 1.00 0.00 N ATOM 1400 CA SER A 92 -6.273 9.781 13.763 1.00 0.00 C ATOM 1401 C SER A 92 -7.142 8.833 12.940 1.00 0.00 C ATOM 1402 O SER A 92 -7.919 9.267 12.090 1.00 0.00 O ATOM 1403 CB SER A 92 -5.868 10.987 12.913 1.00 0.00 C ATOM 1404 OG SER A 92 -5.098 11.907 13.667 1.00 0.00 O ATOM 0 H SER A 92 -5.001 9.100 15.285 1.00 0.00 H new ATOM 0 HA SER A 92 -6.854 10.126 14.618 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.295 10.651 12.049 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.760 11.482 12.531 1.00 0.00 H new ATOM 0 HG SER A 92 -4.850 12.668 13.101 1.00 0.00 H new ATOM 1410 N GLY A 93 -7.004 7.536 13.198 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.780 6.548 12.473 1.00 0.00 C ATOM 1412 C GLY A 93 -7.086 5.202 12.420 1.00 0.00 C ATOM 1413 O GLY A 93 -6.887 4.558 13.450 1.00 0.00 O ATOM 0 H GLY A 93 -6.368 7.152 13.897 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.755 6.434 12.948 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.959 6.903 11.458 1.00 0.00 H new ATOM 1417 N MET A 94 -6.714 4.776 11.218 1.00 0.00 N ATOM 1418 CA MET A 94 -6.036 3.499 11.038 1.00 0.00 C ATOM 1419 C MET A 94 -5.006 3.581 9.915 1.00 0.00 C ATOM 1420 O MET A 94 -5.356 3.768 8.750 1.00 0.00 O ATOM 1421 CB MET A 94 -7.052 2.397 10.732 1.00 0.00 C ATOM 1422 CG MET A 94 -7.969 2.075 11.901 1.00 0.00 C ATOM 1423 SD MET A 94 -7.179 1.024 13.135 1.00 0.00 S ATOM 1424 CE MET A 94 -7.253 2.082 14.578 1.00 0.00 C ATOM 0 H MET A 94 -6.871 5.296 10.355 1.00 0.00 H new ATOM 0 HA MET A 94 -5.517 3.259 11.966 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.658 2.700 9.878 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.518 1.493 10.440 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.290 3.004 12.372 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.866 1.580 11.529 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.260 2.480 14.788 1.00 0.00 H new ATOM 0 HE2 MET A 94 -7.942 2.905 14.390 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.602 1.505 15.435 1.00 0.00 H new ATOM 1434 N MET A 95 -3.734 3.435 10.275 1.00 0.00 N ATOM 1435 CA MET A 95 -2.652 3.487 9.298 1.00 0.00 C ATOM 1436 C MET A 95 -1.996 2.118 9.150 1.00 0.00 C ATOM 1437 O MET A 95 -1.857 1.379 10.124 1.00 0.00 O ATOM 1438 CB MET A 95 -1.609 4.528 9.712 1.00 0.00 C ATOM 1439 CG MET A 95 -1.131 5.399 8.561 1.00 0.00 C ATOM 1440 SD MET A 95 -0.158 6.813 9.115 1.00 0.00 S ATOM 1441 CE MET A 95 -1.321 8.149 8.855 1.00 0.00 C ATOM 0 H MET A 95 -3.428 3.280 11.236 1.00 0.00 H new ATOM 0 HA MET A 95 -3.074 3.776 8.335 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.032 5.166 10.488 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.752 4.017 10.151 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.532 4.796 7.879 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.994 5.755 7.998 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.877 9.088 9.186 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.566 8.217 7.795 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.229 7.957 9.426 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.597 1.783 7.928 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.961 0.499 7.660 1.00 0.00 C ATOM 1453 C HIS A 96 0.317 0.675 6.847 1.00 0.00 C ATOM 1454 O HIS A 96 0.281 1.137 5.706 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.927 -0.426 6.917 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.439 -1.837 6.808 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -2.147 -2.918 7.292 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -0.307 -2.344 6.265 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.470 -4.027 7.053 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -0.352 -3.707 6.430 1.00 0.00 N ATOM 0 H HIS A 96 -1.703 2.382 7.109 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.698 0.050 8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.889 -0.421 7.430 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.098 -0.031 5.916 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -3.051 -2.869 7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.484 -1.782 5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.779 -5.026 7.322 1.00 0.00 H new ATOM 1469 N TYR A 97 1.444 0.298 7.441 1.00 0.00 N ATOM 1470 CA TYR A 97 2.736 0.405 6.773 1.00 0.00 C ATOM 1471 C TYR A 97 3.155 -0.947 6.206 1.00 0.00 C ATOM 1472 O TYR A 97 3.692 -1.791 6.922 1.00 0.00 O ATOM 1473 CB TYR A 97 3.799 0.916 7.747 1.00 0.00 C ATOM 1474 CG TYR A 97 3.667 2.386 8.075 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.467 2.910 8.541 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.743 3.251 7.919 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.343 4.253 8.841 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.627 4.595 8.218 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.425 5.091 8.678 1.00 0.00 C ATOM 1480 OH TYR A 97 3.306 6.429 8.977 1.00 0.00 O ATOM 0 H TYR A 97 1.489 -0.085 8.385 1.00 0.00 H new ATOM 0 HA TYR A 97 2.641 1.116 5.952 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.740 0.340 8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.786 0.735 7.321 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.617 2.256 8.671 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.686 2.867 7.558 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.403 4.644 9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.473 5.254 8.092 1.00 0.00 H new ATOM 0 HH TYR A 97 4.125 6.740 9.416 1.00 0.00 H new ATOM 1490 N LEU A 98 2.898 -1.150 4.918 1.00 0.00 N ATOM 1491 CA LEU A 98 3.241 -2.406 4.261 1.00 0.00 C ATOM 1492 C LEU A 98 4.290 -2.195 3.176 1.00 0.00 C ATOM 1493 O LEU A 98 4.259 -1.201 2.450 1.00 0.00 O ATOM 1494 CB LEU A 98 1.990 -3.041 3.653 1.00 0.00 C ATOM 1495 CG LEU A 98 1.374 -2.264 2.486 1.00 0.00 C ATOM 1496 CD1 LEU A 98 1.063 -3.196 1.325 1.00 0.00 C ATOM 1497 CD2 LEU A 98 0.119 -1.531 2.937 1.00 0.00 C ATOM 0 H LEU A 98 2.454 -0.462 4.309 1.00 0.00 H new ATOM 0 HA LEU A 98 3.658 -3.074 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.240 -4.045 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.239 -3.149 4.435 1.00 0.00 H new ATOM 0 HG LEU A 98 2.099 -1.525 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.626 -2.624 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.982 -3.673 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.357 -3.960 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.305 -0.984 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.610 -2.252 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.373 -0.831 3.733 1.00 0.00 H new ATOM 1509 N THR A 99 5.214 -3.144 3.066 1.00 0.00 N ATOM 1510 CA THR A 99 6.268 -3.072 2.063 1.00 0.00 C ATOM 1511 C THR A 99 6.065 -4.147 1.003 1.00 0.00 C ATOM 1512 O THR A 99 5.718 -5.283 1.323 1.00 0.00 O ATOM 1513 CB THR A 99 7.640 -3.237 2.719 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.618 -2.773 4.059 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.743 -2.496 1.995 1.00 0.00 C ATOM 0 H THR A 99 5.253 -3.972 3.660 1.00 0.00 H new ATOM 0 HA THR A 99 6.223 -2.093 1.585 1.00 0.00 H new ATOM 0 HB THR A 99 7.852 -4.305 2.676 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.530 -2.557 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.689 -2.655 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.821 -2.868 0.973 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.514 -1.430 1.977 1.00 0.00 H new ATOM 1523 N VAL A 100 6.275 -3.785 -0.257 1.00 0.00 N ATOM 1524 CA VAL A 100 6.106 -4.730 -1.354 1.00 0.00 C ATOM 1525 C VAL A 100 7.211 -4.573 -2.396 1.00 0.00 C ATOM 1526 O VAL A 100 7.828 -3.513 -2.506 1.00 0.00 O ATOM 1527 CB VAL A 100 4.726 -4.562 -2.032 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.632 -4.397 -0.986 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.723 -3.383 -2.996 1.00 0.00 C ATOM 0 H VAL A 100 6.561 -2.849 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 100 6.167 -5.730 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 100 4.525 -5.466 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.669 -4.280 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.605 -5.278 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.838 -3.514 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.739 -3.292 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.955 -2.468 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.472 -3.545 -3.771 1.00 0.00 H new ATOM 1539 N GLU A 101 7.451 -5.632 -3.162 1.00 0.00 N ATOM 1540 CA GLU A 101 8.477 -5.607 -4.197 1.00 0.00 C ATOM 1541 C GLU A 101 7.891 -5.119 -5.517 1.00 0.00 C ATOM 1542 O GLU A 101 6.907 -5.668 -6.011 1.00 0.00 O ATOM 1543 CB GLU A 101 9.091 -6.997 -4.376 1.00 0.00 C ATOM 1544 CG GLU A 101 10.126 -7.344 -3.319 1.00 0.00 C ATOM 1545 CD GLU A 101 10.422 -8.830 -3.259 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.543 -9.593 -2.807 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 11.534 -9.231 -3.664 1.00 0.00 O ATOM 0 H GLU A 101 6.950 -6.517 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 101 9.261 -4.916 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.296 -7.742 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.555 -7.056 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.048 -6.802 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.772 -7.008 -2.344 1.00 0.00 H new ATOM 1554 N VAL A 102 8.495 -4.078 -6.078 1.00 0.00 N ATOM 1555 CA VAL A 102 8.025 -3.510 -7.335 1.00 0.00 C ATOM 1556 C VAL A 102 9.042 -3.704 -8.453 1.00 0.00 C ATOM 1557 O VAL A 102 10.245 -3.802 -8.206 1.00 0.00 O ATOM 1558 CB VAL A 102 7.721 -2.008 -7.190 1.00 0.00 C ATOM 1559 CG1 VAL A 102 7.033 -1.478 -8.437 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.872 -1.752 -5.954 1.00 0.00 C ATOM 0 H VAL A 102 9.311 -3.611 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 102 7.108 -4.041 -7.593 1.00 0.00 H new ATOM 0 HB VAL A 102 8.665 -1.476 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.827 -0.415 -8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.682 -1.625 -9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.097 -2.014 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.667 -0.685 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.931 -2.296 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.408 -2.091 -5.068 1.00 0.00 H new ATOM 1570 N ASN A 103 8.548 -3.755 -9.686 1.00 0.00 N ATOM 1571 CA ASN A 103 9.405 -3.933 -10.851 1.00 0.00 C ATOM 1572 C ASN A 103 9.171 -2.817 -11.865 1.00 0.00 C ATOM 1573 O ASN A 103 8.050 -2.332 -12.021 1.00 0.00 O ATOM 1574 CB ASN A 103 9.143 -5.293 -11.501 1.00 0.00 C ATOM 1575 CG ASN A 103 10.114 -5.592 -12.627 1.00 0.00 C ATOM 1576 OD1 ASN A 103 10.036 -5.000 -13.703 1.00 0.00 O ATOM 1577 ND2 ASN A 103 11.037 -6.515 -12.382 1.00 0.00 N ATOM 0 H ASN A 103 7.555 -3.675 -9.904 1.00 0.00 H new ATOM 0 HA ASN A 103 10.443 -3.893 -10.521 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.216 -6.074 -10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 103 8.124 -5.318 -11.887 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.718 -6.758 -13.101 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.064 -6.981 -11.475 1.00 0.00 H new ATOM 1584 N ASP A 104 10.236 -2.412 -12.551 1.00 0.00 N ATOM 1585 CA ASP A 104 10.144 -1.351 -13.547 1.00 0.00 C ATOM 1586 C ASP A 104 10.812 -1.765 -14.854 1.00 0.00 C ATOM 1587 O ASP A 104 11.989 -1.480 -15.079 1.00 0.00 O ATOM 1588 CB ASP A 104 10.788 -0.068 -13.017 1.00 0.00 C ATOM 1589 CG ASP A 104 10.118 1.180 -13.555 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.915 1.114 -13.885 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 10.796 2.225 -13.648 1.00 0.00 O ATOM 0 H ASP A 104 11.171 -2.802 -12.435 1.00 0.00 H new ATOM 0 HA ASP A 104 9.088 -1.167 -13.744 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.738 -0.063 -11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.844 -0.056 -13.288 1.00 0.00 H new ATOM 1596 N ALA A 105 10.053 -2.437 -15.714 1.00 0.00 N ATOM 1597 CA ALA A 105 10.568 -2.890 -17.002 1.00 0.00 C ATOM 1598 C ALA A 105 11.841 -3.713 -16.833 1.00 0.00 C ATOM 1599 O ALA A 105 12.700 -3.732 -17.714 1.00 0.00 O ATOM 1600 CB ALA A 105 10.826 -1.699 -17.913 1.00 0.00 C ATOM 0 H ALA A 105 9.077 -2.680 -15.542 1.00 0.00 H new ATOM 0 HA ALA A 105 9.814 -3.531 -17.459 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.210 -2.050 -18.871 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.895 -1.155 -18.073 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.558 -1.038 -17.449 1.00 0.00 H new ATOM 1606 N GLY A 106 11.955 -4.392 -15.697 1.00 0.00 N ATOM 1607 CA GLY A 106 13.127 -5.207 -15.436 1.00 0.00 C ATOM 1608 C GLY A 106 13.767 -4.892 -14.098 1.00 0.00 C ATOM 1609 O GLY A 106 14.235 -5.791 -13.400 1.00 0.00 O ATOM 0 H GLY A 106 11.258 -4.393 -14.953 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.846 -6.260 -15.462 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.858 -5.052 -16.230 1.00 0.00 H new ATOM 1613 N LYS A 107 13.788 -3.612 -13.741 1.00 0.00 N ATOM 1614 CA LYS A 107 14.376 -3.183 -12.477 1.00 0.00 C ATOM 1615 C LYS A 107 13.521 -3.638 -11.300 1.00 0.00 C ATOM 1616 O LYS A 107 12.422 -3.128 -11.085 1.00 0.00 O ATOM 1617 CB LYS A 107 14.531 -1.661 -12.453 1.00 0.00 C ATOM 1618 CG LYS A 107 15.790 -1.166 -13.145 1.00 0.00 C ATOM 1619 CD LYS A 107 16.906 -0.898 -12.148 1.00 0.00 C ATOM 1620 CE LYS A 107 16.794 0.494 -11.548 1.00 0.00 C ATOM 1621 NZ LYS A 107 15.792 0.546 -10.448 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.406 -2.855 -14.308 1.00 0.00 H new ATOM 0 HA LYS A 107 15.361 -3.642 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.662 -1.208 -12.931 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.538 -1.321 -11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.121 -1.907 -13.873 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.568 -0.253 -13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.871 -1.642 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.871 -1.006 -12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 107 17.767 0.805 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.515 1.204 -12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.173 1.104 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.918 0.990 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.584 -0.419 -10.122 1.00 0.00 H new ATOM 1635 N LYS A 108 14.033 -4.602 -10.542 1.00 0.00 N ATOM 1636 CA LYS A 108 13.316 -5.129 -9.386 1.00 0.00 C ATOM 1637 C LYS A 108 13.843 -4.515 -8.092 1.00 0.00 C ATOM 1638 O LYS A 108 15.050 -4.339 -7.924 1.00 0.00 O ATOM 1639 CB LYS A 108 13.448 -6.653 -9.334 1.00 0.00 C ATOM 1640 CG LYS A 108 12.760 -7.286 -8.134 1.00 0.00 C ATOM 1641 CD LYS A 108 11.453 -7.955 -8.527 1.00 0.00 C ATOM 1642 CE LYS A 108 10.565 -8.197 -7.318 1.00 0.00 C ATOM 1643 NZ LYS A 108 9.928 -9.542 -7.356 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.942 -5.034 -10.707 1.00 0.00 H new ATOM 0 HA LYS A 108 12.264 -4.864 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.029 -7.076 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.505 -6.917 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.424 -8.022 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.566 -6.523 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.926 -7.330 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.663 -8.904 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.157 -8.102 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.791 -7.430 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.559 -9.778 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.147 -9.537 -8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.633 -10.252 -7.639 1.00 0.00 H new ATOM 1657 N LYS A 109 12.931 -4.193 -7.180 1.00 0.00 N ATOM 1658 CA LYS A 109 13.308 -3.602 -5.902 1.00 0.00 C ATOM 1659 C LYS A 109 12.165 -3.691 -4.896 1.00 0.00 C ATOM 1660 O LYS A 109 11.058 -4.111 -5.232 1.00 0.00 O ATOM 1661 CB LYS A 109 13.719 -2.141 -6.093 1.00 0.00 C ATOM 1662 CG LYS A 109 15.199 -1.959 -6.392 1.00 0.00 C ATOM 1663 CD LYS A 109 15.433 -1.576 -7.845 1.00 0.00 C ATOM 1664 CE LYS A 109 16.880 -1.799 -8.254 1.00 0.00 C ATOM 1665 NZ LYS A 109 17.059 -3.084 -8.985 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.928 -4.331 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 109 14.155 -4.165 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.137 -1.712 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.467 -1.581 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.610 -1.188 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.732 -2.883 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.778 -2.164 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.169 -0.529 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 109 17.210 -0.974 -8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.513 -1.795 -7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.739 -3.682 -8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.145 -3.577 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 17.417 -2.892 -9.942 1.00 0.00 H new ATOM 1679 N LEU A 110 12.445 -3.292 -3.659 1.00 0.00 N ATOM 1680 CA LEU A 110 11.447 -3.322 -2.597 1.00 0.00 C ATOM 1681 C LEU A 110 11.158 -1.913 -2.090 1.00 0.00 C ATOM 1682 O LEU A 110 12.059 -1.213 -1.630 1.00 0.00 O ATOM 1683 CB LEU A 110 11.927 -4.209 -1.444 1.00 0.00 C ATOM 1684 CG LEU A 110 11.117 -4.097 -0.149 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.632 -4.272 -0.429 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.594 -5.123 0.867 1.00 0.00 C ATOM 0 H LEU A 110 13.358 -2.943 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 110 10.525 -3.739 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.910 -5.247 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.966 -3.962 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 110 11.271 -3.102 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.074 -4.189 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.299 -3.499 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.458 -5.254 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.008 -5.030 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.470 -6.125 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.647 -4.950 1.092 1.00 0.00 H new ATOM 1698 N TYR A 111 9.897 -1.504 -2.178 1.00 0.00 N ATOM 1699 CA TYR A 111 9.492 -0.177 -1.729 1.00 0.00 C ATOM 1700 C TYR A 111 8.433 -0.272 -0.634 1.00 0.00 C ATOM 1701 O TYR A 111 7.577 -1.156 -0.658 1.00 0.00 O ATOM 1702 CB TYR A 111 8.961 0.642 -2.907 1.00 0.00 C ATOM 1703 CG TYR A 111 9.829 0.566 -4.145 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.215 0.480 -4.048 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.262 0.583 -5.413 1.00 0.00 C ATOM 1706 CE1 TYR A 111 12.006 0.414 -5.178 1.00 0.00 C ATOM 1707 CE2 TYR A 111 10.048 0.516 -6.548 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.419 0.432 -6.425 1.00 0.00 C ATOM 1709 OH TYR A 111 12.204 0.366 -7.553 1.00 0.00 O ATOM 0 H TYR A 111 9.138 -2.072 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 111 10.367 0.324 -1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.958 0.295 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.871 1.684 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.679 0.465 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.189 0.650 -5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.080 0.349 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.591 0.529 -7.526 1.00 0.00 H new ATOM 0 HH TYR A 111 11.634 0.389 -8.350 1.00 0.00 H new ATOM 1719 N GLU A 112 8.500 0.646 0.326 1.00 0.00 N ATOM 1720 CA GLU A 112 7.551 0.668 1.433 1.00 0.00 C ATOM 1721 C GLU A 112 6.396 1.621 1.145 1.00 0.00 C ATOM 1722 O GLU A 112 6.599 2.728 0.646 1.00 0.00 O ATOM 1723 CB GLU A 112 8.256 1.082 2.727 1.00 0.00 C ATOM 1724 CG GLU A 112 7.717 0.383 3.964 1.00 0.00 C ATOM 1725 CD GLU A 112 7.528 1.330 5.133 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.531 1.650 5.805 1.00 0.00 O ATOM 1727 OE2 GLU A 112 6.378 1.751 5.376 1.00 0.00 O1- ATOM 0 H GLU A 112 9.203 1.385 0.359 1.00 0.00 H new ATOM 0 HA GLU A 112 7.147 -0.337 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.321 0.869 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.156 2.160 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.763 -0.087 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.402 -0.414 4.254 1.00 0.00 H new ATOM 1734 N ALA A 113 5.183 1.182 1.466 1.00 0.00 N ATOM 1735 CA ALA A 113 3.991 1.992 1.247 1.00 0.00 C ATOM 1736 C ALA A 113 3.155 2.088 2.518 1.00 0.00 C ATOM 1737 O ALA A 113 2.801 1.071 3.118 1.00 0.00 O ATOM 1738 CB ALA A 113 3.162 1.413 0.111 1.00 0.00 C ATOM 0 H ALA A 113 5.000 0.268 1.880 1.00 0.00 H new ATOM 0 HA ALA A 113 4.309 2.998 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.275 2.028 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.756 1.400 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.860 0.396 0.362 1.00 0.00 H new ATOM 1744 N LYS A 114 2.837 3.313 2.923 1.00 0.00 N ATOM 1745 CA LYS A 114 2.036 3.534 4.123 1.00 0.00 C ATOM 1746 C LYS A 114 0.697 4.171 3.772 1.00 0.00 C ATOM 1747 O LYS A 114 0.643 5.294 3.271 1.00 0.00 O ATOM 1748 CB LYS A 114 2.790 4.412 5.124 1.00 0.00 C ATOM 1749 CG LYS A 114 3.213 5.751 4.553 1.00 0.00 C ATOM 1750 CD LYS A 114 4.462 6.283 5.238 1.00 0.00 C ATOM 1751 CE LYS A 114 5.715 5.591 4.727 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.954 6.294 5.159 1.00 0.00 N1+ ATOM 0 H LYS A 114 3.120 4.166 2.440 1.00 0.00 H new ATOM 0 HA LYS A 114 1.848 2.564 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.158 4.581 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.675 3.878 5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.399 5.649 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.401 6.469 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.543 7.357 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.378 6.137 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.736 4.563 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.685 5.544 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.786 5.790 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.947 7.267 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.996 6.317 6.198 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.383 3.443 4.036 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.726 3.931 3.747 1.00 0.00 C ATOM 1768 C VAL A 115 -2.457 4.321 5.028 1.00 0.00 C ATOM 1769 O VAL A 115 -2.211 3.754 6.092 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.556 2.875 2.991 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -2.726 1.620 3.835 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -3.909 3.444 2.588 1.00 0.00 C ATOM 0 H VAL A 115 -0.354 2.511 4.450 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.615 4.813 3.116 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.018 2.602 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.315 0.887 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.747 1.200 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.239 1.872 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.480 2.683 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.456 3.749 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.762 4.307 1.939 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.355 5.294 4.918 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.122 5.761 6.067 1.00 0.00 C ATOM 1784 C TRP A 116 -5.619 5.714 5.778 1.00 0.00 C ATOM 1785 O TRP A 116 -6.056 6.012 4.666 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.707 7.187 6.435 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.425 7.728 7.634 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.534 7.140 8.861 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.136 8.969 7.718 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.268 7.940 9.704 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.649 9.068 9.025 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.388 10.006 6.815 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.398 10.163 9.449 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.132 11.091 7.237 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.629 11.163 8.545 1.00 0.00 C ATOM 0 H TRP A 116 -3.570 5.775 4.044 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.912 5.099 6.907 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.634 7.207 6.624 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -3.893 7.842 5.584 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.106 6.186 9.130 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.493 7.729 10.676 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.008 9.960 5.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.783 10.220 10.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.334 11.897 6.547 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.206 12.025 8.845 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.397 5.337 6.787 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.846 5.250 6.647 1.00 0.00 C ATOM 1808 C GLU A 117 -8.534 5.431 7.996 1.00 0.00 C ATOM 1809 O GLU A 117 -8.185 4.772 8.975 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.241 3.904 6.036 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.741 3.736 5.851 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.356 2.816 6.888 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.842 2.775 8.025 1.00 0.00 O ATOM 1814 OE2 GLU A 117 -11.353 2.137 6.562 1.00 0.00 O1- ATOM 0 H GLU A 117 -6.048 5.086 7.712 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.171 6.051 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.750 3.795 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.870 3.102 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.222 4.713 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.939 3.339 4.855 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.510 6.332 8.042 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.244 6.603 9.268 1.00 0.00 C ATOM 1823 C GLN A 118 -11.640 5.991 9.217 1.00 0.00 C ATOM 1824 O GLN A 118 -12.042 5.419 8.204 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.347 8.111 9.491 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.070 8.866 9.161 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.234 9.802 7.980 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.528 11.065 8.264 1.00 0.00 O flip ATOM 1829 NE2 GLN A 118 -9.098 9.395 6.826 1.00 0.00 N flip ATOM 0 H GLN A 118 -9.810 6.887 7.241 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.701 6.150 10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.160 8.505 8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.611 8.298 10.532 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.756 9.439 10.033 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.275 8.152 8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.872 8.415 6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.211 10.037 6.042 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.376 6.120 10.316 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.729 5.585 10.400 1.00 0.00 C ATOM 1840 C VAL A 119 -14.749 6.703 10.602 1.00 0.00 C ATOM 1841 O VAL A 119 -15.857 6.650 10.070 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.860 4.565 11.548 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.564 5.223 12.888 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.244 3.932 11.550 1.00 0.00 C ATOM 0 H VAL A 119 -12.057 6.592 11.162 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.931 5.081 9.455 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.126 3.775 11.388 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.662 4.486 13.685 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.548 5.619 12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.269 6.037 13.058 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.315 3.215 12.368 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.999 4.708 11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.411 3.419 10.603 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.363 7.714 11.374 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.239 8.848 11.648 1.00 0.00 C ATOM 1856 C TRP A 120 -15.158 9.888 10.534 1.00 0.00 C ATOM 1857 O TRP A 120 -16.073 10.693 10.357 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.867 9.491 12.985 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.437 9.928 13.052 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.913 11.095 12.575 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.344 9.201 13.625 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.561 11.140 12.820 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.189 9.988 13.463 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.231 7.961 14.260 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.937 9.576 13.913 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.988 7.553 14.707 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.856 8.359 14.532 1.00 0.00 C ATOM 0 H TRP A 120 -13.448 7.771 11.821 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.263 8.477 11.698 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.512 10.353 13.158 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -15.061 8.781 13.789 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.478 11.870 12.078 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.937 11.905 12.565 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -13.099 7.333 14.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.062 10.195 13.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.888 6.597 15.199 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.899 8.012 14.893 1.00 0.00 H new ATOM 1878 N MET A 121 -14.060 9.865 9.784 1.00 0.00 N ATOM 1879 CA MET A 121 -13.865 10.805 8.687 1.00 0.00 C ATOM 1880 C MET A 121 -14.256 10.170 7.356 1.00 0.00 C ATOM 1881 O MET A 121 -14.603 10.866 6.402 1.00 0.00 O ATOM 1882 CB MET A 121 -12.407 11.267 8.637 1.00 0.00 C ATOM 1883 CG MET A 121 -12.153 12.370 7.620 1.00 0.00 C ATOM 1884 SD MET A 121 -11.394 13.834 8.351 1.00 0.00 S ATOM 1885 CE MET A 121 -10.197 14.260 7.089 1.00 0.00 C ATOM 0 H MET A 121 -13.293 9.206 9.916 1.00 0.00 H new ATOM 0 HA MET A 121 -14.506 11.669 8.861 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.112 11.620 9.625 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.772 10.413 8.401 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.507 11.988 6.830 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.097 12.651 7.152 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.646 15.149 7.396 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.502 13.431 6.952 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.714 14.460 6.150 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.198 8.843 7.303 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.547 8.108 6.094 1.00 0.00 C ATOM 1897 C ASN A 122 -13.607 8.465 4.947 1.00 0.00 C ATOM 1898 O ASN A 122 -14.039 8.636 3.806 1.00 0.00 O ATOM 1899 CB ASN A 122 -15.996 8.395 5.695 1.00 0.00 C ATOM 1900 CG ASN A 122 -16.978 7.454 6.366 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -16.917 7.383 7.691 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.781 6.800 5.702 1.00 0.00 N flip ATOM 0 H ASN A 122 -13.912 8.254 8.085 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.442 7.044 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.245 9.423 5.957 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.096 8.309 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.792 6.886 4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.436 6.172 6.168 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.320 8.575 5.256 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.319 8.910 4.250 1.00 0.00 C ATOM 1911 C PHE A 123 -10.173 7.904 4.271 1.00 0.00 C ATOM 1912 O PHE A 123 -9.712 7.496 5.338 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.781 10.323 4.486 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.386 11.355 3.577 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -11.112 11.346 2.219 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -12.229 12.332 4.081 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -11.668 12.293 1.380 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -12.788 13.282 3.246 1.00 0.00 C ATOM 1919 CZ PHE A 123 -12.507 13.262 1.894 1.00 0.00 C ATOM 0 H PHE A 123 -11.945 8.437 6.195 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.795 8.871 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -10.970 10.607 5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.700 10.319 4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -10.457 10.591 1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.452 12.352 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -11.447 12.275 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -13.444 14.039 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 123 -12.943 14.003 1.240 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.718 7.508 3.087 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.626 6.549 2.970 1.00 0.00 C ATOM 1931 C ARG A 124 -7.779 6.837 1.733 1.00 0.00 C ATOM 1932 O ARG A 124 -8.301 6.952 0.624 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.178 5.121 2.914 1.00 0.00 C ATOM 1934 CG ARG A 124 -9.858 4.776 1.598 1.00 0.00 C ATOM 1935 CD ARG A 124 -8.857 4.269 0.573 1.00 0.00 C ATOM 1936 NE ARG A 124 -9.060 4.878 -0.739 1.00 0.00 N ATOM 1937 CZ ARG A 124 -10.002 4.493 -1.597 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -10.828 3.502 -1.286 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -10.118 5.101 -2.770 1.00 0.00 N ATOM 0 H ARG A 124 -10.088 7.836 2.195 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.990 6.647 3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.362 4.419 3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.891 4.985 3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.622 4.017 1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.366 5.657 1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.845 4.482 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.943 3.186 0.487 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.444 5.643 -1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.743 3.031 -0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.548 3.211 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -9.486 5.863 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.840 4.806 -3.428 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.470 6.955 1.931 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.554 7.231 0.829 1.00 0.00 C ATOM 1955 C GLN A 125 -4.116 6.904 1.215 1.00 0.00 C ATOM 1956 O GLN A 125 -3.824 6.613 2.375 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.659 8.698 0.406 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.685 9.668 1.577 1.00 0.00 C ATOM 1959 CD GLN A 125 -5.383 11.093 1.159 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -5.773 11.532 0.077 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -4.683 11.826 2.017 1.00 0.00 N ATOM 0 H GLN A 125 -6.020 6.864 2.842 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.837 6.595 -0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -4.815 8.943 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.564 8.833 -0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.665 9.632 2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.957 9.350 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.379 11.423 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.449 12.792 1.790 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.219 6.957 0.235 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.809 6.670 0.471 1.00 0.00 C ATOM 1972 C LEU A 126 -1.115 7.865 1.114 1.00 0.00 C ATOM 1973 O LEU A 126 -1.329 9.009 0.713 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.114 6.305 -0.844 1.00 0.00 C ATOM 1975 CG LEU A 126 0.400 6.096 -0.742 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.826 4.865 -1.529 1.00 0.00 C ATOM 1977 CD2 LEU A 126 1.142 7.329 -1.235 1.00 0.00 C ATOM 0 H LEU A 126 -3.444 7.196 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.743 5.823 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.566 5.393 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.308 7.094 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 126 0.655 5.937 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.905 4.734 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.321 3.985 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.558 4.993 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.216 7.163 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.880 7.519 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.862 8.189 -0.627 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.286 7.594 2.116 1.00 0.00 N ATOM 1990 CA GLN A 127 0.435 8.649 2.817 1.00 0.00 C ATOM 1991 C GLN A 127 1.801 8.898 2.184 1.00 0.00 C ATOM 1992 O GLN A 127 2.079 9.995 1.700 1.00 0.00 O ATOM 1993 CB GLN A 127 0.601 8.286 4.295 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.419 8.951 5.206 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.836 8.854 4.672 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.620 9.796 4.787 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.172 7.711 4.084 1.00 0.00 N ATOM 0 H GLN A 127 -0.097 6.653 2.461 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.150 9.565 2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.523 7.204 4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.603 8.568 4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.375 8.488 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.155 10.001 5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.490 6.956 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.112 7.589 3.706 1.00 0.00 H new ATOM 2006 N GLU A 128 2.651 7.877 2.197 1.00 0.00 N ATOM 2007 CA GLU A 128 3.990 7.996 1.628 1.00 0.00 C ATOM 2008 C GLU A 128 4.451 6.680 1.008 1.00 0.00 C ATOM 2009 O GLU A 128 3.966 5.604 1.364 1.00 0.00 O ATOM 2010 CB GLU A 128 4.991 8.437 2.700 1.00 0.00 C ATOM 2011 CG GLU A 128 4.427 9.438 3.698 1.00 0.00 C ATOM 2012 CD GLU A 128 4.274 10.826 3.108 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.957 11.124 2.106 1.00 0.00 O ATOM 2014 OE2 GLU A 128 3.469 11.614 3.647 1.00 0.00 O1- ATOM 0 H GLU A 128 2.439 6.961 2.593 1.00 0.00 H new ATOM 0 HA GLU A 128 3.946 8.750 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.340 7.557 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.861 8.877 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.457 9.088 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.082 9.487 4.568 1.00 0.00 H new ATOM 2021 N PHE A 129 5.398 6.782 0.082 1.00 0.00 N ATOM 2022 CA PHE A 129 5.947 5.613 -0.596 1.00 0.00 C ATOM 2023 C PHE A 129 7.461 5.741 -0.727 1.00 0.00 C ATOM 2024 O PHE A 129 7.958 6.522 -1.539 1.00 0.00 O ATOM 2025 CB PHE A 129 5.312 5.456 -1.979 1.00 0.00 C ATOM 2026 CG PHE A 129 5.352 4.049 -2.506 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.451 3.591 -3.215 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.288 3.186 -2.294 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.488 2.299 -3.703 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.320 1.892 -2.781 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.422 1.448 -3.486 1.00 0.00 C ATOM 0 H PHE A 129 5.804 7.668 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 129 5.719 4.728 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.275 5.788 -1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.826 6.112 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.288 4.251 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.425 3.528 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.350 1.954 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.484 1.229 -2.610 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.450 0.438 -3.867 1.00 0.00 H new ATOM 2041 N THR A 130 8.190 4.979 0.082 1.00 0.00 N ATOM 2042 CA THR A 130 9.649 5.020 0.057 1.00 0.00 C ATOM 2043 C THR A 130 10.215 3.864 -0.759 1.00 0.00 C ATOM 2044 O THR A 130 9.609 2.797 -0.847 1.00 0.00 O ATOM 2045 CB THR A 130 10.207 4.973 1.482 1.00 0.00 C ATOM 2046 OG1 THR A 130 10.190 3.649 1.985 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.442 5.844 2.456 1.00 0.00 C ATOM 0 H THR A 130 7.797 4.327 0.761 1.00 0.00 H new ATOM 0 HA THR A 130 9.951 5.955 -0.415 1.00 0.00 H new ATOM 0 HB THR A 130 11.226 5.353 1.404 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.552 3.640 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.891 5.763 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.480 6.881 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.404 5.515 2.500 1.00 0.00 H new ATOM 2055 N TYR A 131 11.382 4.084 -1.355 1.00 0.00 N ATOM 2056 CA TYR A 131 12.031 3.061 -2.166 1.00 0.00 C ATOM 2057 C TYR A 131 13.227 2.461 -1.433 1.00 0.00 C ATOM 2058 O TYR A 131 14.240 3.128 -1.226 1.00 0.00 O ATOM 2059 CB TYR A 131 12.481 3.649 -3.504 1.00 0.00 C ATOM 2060 CG TYR A 131 13.358 4.874 -3.363 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.800 6.138 -3.220 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.743 4.765 -3.374 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.597 7.259 -3.092 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.547 5.882 -3.245 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.969 7.126 -3.105 1.00 0.00 C ATOM 2066 OH TYR A 131 15.767 8.240 -2.977 1.00 0.00 O ATOM 0 H TYR A 131 11.898 4.962 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 131 11.307 2.268 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 131 13.024 2.886 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.601 3.908 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.725 6.246 -3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 131 15.199 3.792 -3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 131 13.147 8.235 -2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.622 5.781 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 131 16.709 7.972 -3.005 1.00 0.00 H new ATOM 2076 N LEU A 132 13.100 1.197 -1.042 1.00 0.00 N ATOM 2077 CA LEU A 132 14.169 0.505 -0.331 1.00 0.00 C ATOM 2078 C LEU A 132 15.104 -0.203 -1.306 1.00 0.00 C ATOM 2079 O LEU A 132 15.015 -0.011 -2.519 1.00 0.00 O ATOM 2080 CB LEU A 132 13.586 -0.508 0.659 1.00 0.00 C ATOM 2081 CG LEU A 132 12.263 -0.099 1.310 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.857 -1.110 2.372 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.372 1.294 1.912 1.00 0.00 C ATOM 0 H LEU A 132 12.267 0.631 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 132 14.742 1.251 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.439 -1.455 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.319 -0.686 1.446 1.00 0.00 H new ATOM 0 HG LEU A 132 11.492 -0.080 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 132 10.914 -0.803 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.737 -2.091 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.629 -1.160 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.422 1.568 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.156 1.303 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.617 2.011 1.128 1.00 0.00 H new ATOM 2095 N GLY A 133 16.001 -1.023 -0.767 1.00 0.00 N ATOM 2096 CA GLY A 133 16.940 -1.749 -1.602 1.00 0.00 C ATOM 2097 C GLY A 133 16.551 -3.203 -1.783 1.00 0.00 C ATOM 2098 O GLY A 133 17.054 -4.078 -1.078 1.00 0.00 O ATOM 0 H GLY A 133 16.094 -1.198 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.000 -1.268 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.934 -1.695 -1.158 1.00 0.00 H new ATOM 2102 N ASP A 134 15.650 -3.457 -2.731 1.00 0.00 N ATOM 2103 CA ASP A 134 15.178 -4.812 -3.018 1.00 0.00 C ATOM 2104 C ASP A 134 14.804 -5.560 -1.739 1.00 0.00 C ATOM 2105 O ASP A 134 14.839 -4.999 -0.644 1.00 0.00 O ATOM 2106 CB ASP A 134 16.239 -5.596 -3.800 1.00 0.00 C ATOM 2107 CG ASP A 134 17.462 -5.926 -2.965 1.00 0.00 C ATOM 2108 OD1 ASP A 134 17.383 -6.862 -2.141 1.00 0.00 O1- ATOM 2109 OD2 ASP A 134 18.498 -5.249 -3.136 1.00 0.00 O ATOM 0 H ASP A 134 15.229 -2.736 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 134 14.279 -4.725 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.799 -6.521 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.545 -5.015 -4.670 1.00 0.00 H new ATOM 2114 N ALA A 135 14.442 -6.830 -1.889 1.00 0.00 N ATOM 2115 CA ALA A 135 14.059 -7.655 -0.749 1.00 0.00 C ATOM 2116 C ALA A 135 14.818 -8.978 -0.749 1.00 0.00 C ATOM 2117 O ALA A 135 15.139 -9.475 0.351 1.00 0.00 O ATOM 2118 CB ALA A 135 12.559 -7.906 -0.761 1.00 0.00 C ATOM 2119 OXT ALA A 135 15.085 -9.506 -1.849 1.00 0.00 O ATOM 0 H ALA A 135 14.406 -7.310 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 135 14.320 -7.116 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.286 -8.523 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.030 -6.954 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.284 -8.421 -1.681 1.00 0.00 H new TER 2125 ALA A 135