USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 698 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 37 THR OG1 : rot -81:sc= 1.16 USER MOD Set 1.2: A 85 GLN :FLIP amide:sc= -0.199 F(o=0.21,f=0.96) USER MOD Set 2.1: A 84 LYS NZ :NH3+ -146:sc= -1.11 (180deg=-2.37!) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.943 K(o=-2,f=-3!) USER MOD Set 3.1: A 30 ASN :FLIP amide:sc= 0.0333 F(o=-1.1,f=-0.25) USER MOD Set 3.2: A 33 GLN :FLIP amide:sc= -0.139 F(o=-1.1!,f=-0.25) USER MOD Set 3.3: A 81 GLN : amide:sc= -0.147 X(o=-0.25,f=-0.28) USER MOD Set 4.1: A 61 ASN : amide:sc= 0 X(o=-0.074,f=-0.49) USER MOD Set 4.2: A 64 GLN : amide:sc= -0.0739 X(o=-0.074,f=-0.18) USER MOD Set 5.1: A 31 HIS : no HE2:sc= -0.158 K(o=-0.55,f=-2.2) USER MOD Set 5.2: A 35 HIS : no HE2:sc= -0.178 K(o=-0.55,f=-2.4!) USER MOD Set 5.3: A 55 HIS : no HD1:sc= -0.21 K(o=-0.55,f=-6.3!) USER MOD Set 6.1: A 4 THR OG1 : rot 105:sc= 2.07 USER MOD Set 6.2: A 6 SER OG : rot 170:sc= 1.07 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -2.39! C(o=-2.4!,f=-7.2!) USER MOD Single : A 34 MET CE :methyl -136:sc= -0.235 (180deg=-0.873) USER MOD Single : A 38 SER OG : rot -68:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.6!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 1.14 K(o=1.1,f=-0.58) USER MOD Single : A 71 GLN :FLIP amide:sc= -5.25! C(o=-7.5!,f=-5.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.448 K(o=-0.45,f=-4!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.893! X(o=-0.89!,f=-1.3) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0133) USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 105 MET CE :methyl 143:sc= -0.152 (180deg=-0.792) USER MOD Single : A 108 ASN : amide:sc= 1.48 K(o=1.5,f=-3.8!) USER MOD Single : A 109 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.08) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 113 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.5) USER MOD Single : A 115 SER OG : rot 32:sc= 0.0335 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 3.603 -12.352 16.087 1.00 0.00 N ATOM 35 CA CYS A 3 3.256 -13.041 17.306 1.00 0.00 C ATOM 36 C CYS A 3 2.195 -12.268 18.069 1.00 0.00 C ATOM 37 O CYS A 3 1.951 -11.086 17.787 1.00 0.00 O ATOM 38 CB CYS A 3 4.498 -13.241 18.188 1.00 0.00 C ATOM 39 SG CYS A 3 5.860 -14.190 17.408 1.00 0.00 S ATOM 0 HA CYS A 3 2.856 -14.020 17.041 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.879 -12.262 18.480 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.197 -13.752 19.102 1.00 0.00 H new ATOM 44 N THR A 4 1.526 -12.937 18.967 1.00 0.00 N ATOM 45 CA THR A 4 0.554 -12.318 19.827 1.00 0.00 C ATOM 46 C THR A 4 1.243 -11.838 21.098 1.00 0.00 C ATOM 47 O THR A 4 2.320 -12.349 21.458 1.00 0.00 O ATOM 48 CB THR A 4 -0.526 -13.341 20.213 1.00 0.00 C ATOM 49 OG1 THR A 4 0.110 -14.492 20.789 1.00 0.00 O ATOM 50 CG2 THR A 4 -1.336 -13.769 18.998 1.00 0.00 C ATOM 0 H THR A 4 1.641 -13.938 19.124 1.00 0.00 H new ATOM 0 HA THR A 4 0.097 -11.479 19.303 1.00 0.00 H new ATOM 0 HB THR A 4 -1.205 -12.879 20.930 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.026 -14.489 21.760 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.092 -14.493 19.302 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.823 -12.898 18.560 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.674 -14.223 18.261 1.00 0.00 H new ATOM 58 N LYS A 5 0.649 -10.890 21.781 1.00 0.00 N ATOM 59 CA LYS A 5 1.192 -10.414 23.031 1.00 0.00 C ATOM 60 C LYS A 5 0.668 -11.282 24.161 1.00 0.00 C ATOM 61 O LYS A 5 -0.246 -10.896 24.902 1.00 0.00 O ATOM 62 CB LYS A 5 0.892 -8.915 23.311 1.00 0.00 C ATOM 63 CG LYS A 5 1.558 -7.899 22.362 1.00 0.00 C ATOM 64 CD LYS A 5 0.978 -7.908 20.947 1.00 0.00 C ATOM 65 CE LYS A 5 -0.475 -7.429 20.910 1.00 0.00 C ATOM 66 NZ LYS A 5 -1.020 -7.427 19.531 1.00 0.00 N ATOM 0 H LYS A 5 -0.214 -10.431 21.491 1.00 0.00 H new ATOM 0 HA LYS A 5 2.277 -10.489 22.961 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.187 -8.768 23.268 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.204 -8.688 24.330 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.452 -6.899 22.782 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.626 -8.111 22.309 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.585 -7.270 20.304 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.036 -8.917 20.540 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.086 -8.074 21.541 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.537 -6.424 21.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.006 -7.097 19.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.452 -6.792 18.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.985 -8.391 19.142 1.00 0.00 H new ATOM 80 N SER A 6 1.170 -12.484 24.209 1.00 0.00 N ATOM 81 CA SER A 6 0.819 -13.442 25.204 1.00 0.00 C ATOM 82 C SER A 6 2.049 -14.266 25.500 1.00 0.00 C ATOM 83 O SER A 6 2.995 -14.252 24.707 1.00 0.00 O ATOM 84 CB SER A 6 -0.326 -14.327 24.681 1.00 0.00 C ATOM 85 OG SER A 6 -0.006 -14.898 23.412 1.00 0.00 O ATOM 0 H SER A 6 1.854 -12.828 23.535 1.00 0.00 H new ATOM 0 HA SER A 6 0.475 -12.956 26.117 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.530 -15.122 25.398 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.236 -13.734 24.595 1.00 0.00 H new ATOM 0 HG SER A 6 -0.675 -15.576 23.180 1.00 0.00 H new ATOM 91 N ILE A 7 2.088 -14.906 26.630 1.00 0.00 N ATOM 92 CA ILE A 7 3.195 -15.774 26.982 1.00 0.00 C ATOM 93 C ILE A 7 2.649 -17.129 27.419 1.00 0.00 C ATOM 94 O ILE A 7 1.912 -17.203 28.405 1.00 0.00 O ATOM 95 CB ILE A 7 4.095 -15.158 28.097 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.729 -13.847 27.597 1.00 0.00 C ATOM 97 CG2 ILE A 7 5.176 -16.149 28.532 1.00 0.00 C ATOM 98 CD1 ILE A 7 5.588 -13.134 28.613 1.00 0.00 C ATOM 0 H ILE A 7 1.358 -14.848 27.340 1.00 0.00 H new ATOM 0 HA ILE A 7 3.827 -15.896 26.102 1.00 0.00 H new ATOM 0 HB ILE A 7 3.473 -14.938 28.965 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.335 -14.065 26.718 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.934 -13.174 27.277 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.791 -15.698 29.310 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.706 -17.053 28.920 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.802 -16.404 27.677 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.992 -12.222 28.172 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.985 -12.880 29.485 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.408 -13.784 28.917 1.00 0.00 H new ATOM 110 N PRO A 8 2.971 -18.221 26.696 1.00 0.00 N ATOM 111 CA PRO A 8 3.827 -18.195 25.495 1.00 0.00 C ATOM 112 C PRO A 8 3.124 -17.548 24.292 1.00 0.00 C ATOM 113 O PRO A 8 1.894 -17.651 24.155 1.00 0.00 O ATOM 114 CB PRO A 8 4.104 -19.683 25.211 1.00 0.00 C ATOM 115 CG PRO A 8 3.633 -20.411 26.427 1.00 0.00 C ATOM 116 CD PRO A 8 2.527 -19.581 26.996 1.00 0.00 C ATOM 0 HA PRO A 8 4.728 -17.604 25.656 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.572 -20.019 24.321 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.165 -19.859 25.034 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.281 -21.410 26.172 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.442 -20.532 27.148 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.568 -19.808 26.530 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.407 -19.743 28.067 1.00 0.00 H new ATOM 124 N PRO A 9 3.881 -16.850 23.433 1.00 0.00 N ATOM 125 CA PRO A 9 3.321 -16.145 22.284 1.00 0.00 C ATOM 126 C PRO A 9 2.855 -17.079 21.182 1.00 0.00 C ATOM 127 O PRO A 9 3.440 -18.144 20.951 1.00 0.00 O ATOM 128 CB PRO A 9 4.486 -15.290 21.791 1.00 0.00 C ATOM 129 CG PRO A 9 5.697 -16.042 22.205 1.00 0.00 C ATOM 130 CD PRO A 9 5.349 -16.679 23.517 1.00 0.00 C ATOM 0 HA PRO A 9 2.433 -15.576 22.561 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.451 -15.157 20.710 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.465 -14.295 22.236 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.964 -16.794 21.463 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.555 -15.377 22.308 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.858 -17.634 23.648 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.633 -16.048 24.359 1.00 0.00 H new ATOM 138 N ILE A 10 1.808 -16.682 20.524 1.00 0.00 N ATOM 139 CA ILE A 10 1.277 -17.408 19.409 1.00 0.00 C ATOM 140 C ILE A 10 1.852 -16.765 18.169 1.00 0.00 C ATOM 141 O ILE A 10 1.537 -15.614 17.858 1.00 0.00 O ATOM 142 CB ILE A 10 -0.276 -17.318 19.386 1.00 0.00 C ATOM 143 CG1 ILE A 10 -0.873 -17.844 20.706 1.00 0.00 C ATOM 144 CG2 ILE A 10 -0.870 -18.052 18.188 1.00 0.00 C ATOM 145 CD1 ILE A 10 -0.493 -19.274 21.042 1.00 0.00 C ATOM 0 H ILE A 10 1.291 -15.832 20.749 1.00 0.00 H new ATOM 0 HA ILE A 10 1.540 -18.464 19.470 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.541 -16.266 19.283 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.551 -17.195 21.520 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.959 -17.773 20.653 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.956 -17.965 18.210 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.489 -17.612 17.266 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.590 -19.105 18.231 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.956 -19.561 21.986 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.840 -19.938 20.250 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.591 -19.351 21.131 1.00 0.00 H new ATOM 157 N CYS A 11 2.741 -17.446 17.519 1.00 0.00 N ATOM 158 CA CYS A 11 3.404 -16.886 16.382 1.00 0.00 C ATOM 159 C CYS A 11 2.946 -17.517 15.081 1.00 0.00 C ATOM 160 O CYS A 11 2.785 -18.743 14.977 1.00 0.00 O ATOM 161 CB CYS A 11 4.920 -16.970 16.545 1.00 0.00 C ATOM 162 SG CYS A 11 5.558 -16.103 18.030 1.00 0.00 S ATOM 0 H CYS A 11 3.027 -18.396 17.757 1.00 0.00 H new ATOM 0 HA CYS A 11 3.127 -15.833 16.328 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.212 -18.019 16.595 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.395 -16.549 15.659 1.00 0.00 H new ATOM 310 N CYS A 22 2.698 -8.932 -1.950 1.00 0.00 N ATOM 311 CA CYS A 22 3.985 -8.900 -1.387 1.00 0.00 C ATOM 312 C CYS A 22 3.893 -8.109 -0.107 1.00 0.00 C ATOM 313 O CYS A 22 3.193 -7.082 -0.053 1.00 0.00 O ATOM 314 CB CYS A 22 4.961 -8.226 -2.336 1.00 0.00 C ATOM 315 SG CYS A 22 5.274 -9.121 -3.888 1.00 0.00 S ATOM 0 HA CYS A 22 4.343 -9.912 -1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.581 -7.233 -2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.910 -8.087 -1.818 1.00 0.00 H new ATOM 320 N GLN A 23 4.484 -8.605 0.924 1.00 0.00 N ATOM 321 CA GLN A 23 4.578 -7.868 2.138 1.00 0.00 C ATOM 322 C GLN A 23 5.996 -7.377 2.301 1.00 0.00 C ATOM 323 O GLN A 23 6.956 -8.158 2.401 1.00 0.00 O ATOM 324 CB GLN A 23 4.084 -8.664 3.329 1.00 0.00 C ATOM 325 CG GLN A 23 4.728 -10.014 3.472 1.00 0.00 C ATOM 326 CD GLN A 23 4.271 -10.770 4.686 1.00 0.00 C ATOM 327 OE1 GLN A 23 3.151 -10.613 5.159 1.00 0.00 O ATOM 328 NE2 GLN A 23 5.134 -11.599 5.189 1.00 0.00 N ATOM 0 H GLN A 23 4.915 -9.529 0.951 1.00 0.00 H new ATOM 0 HA GLN A 23 3.918 -7.002 2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.264 -8.089 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.005 -8.795 3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.513 -10.606 2.583 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.810 -9.889 3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.055 -11.697 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.891 -12.152 6.011 1.00 0.00 H new ATOM 337 N ILE A 24 6.121 -6.107 2.225 1.00 0.00 N ATOM 338 CA ILE A 24 7.382 -5.427 2.246 1.00 0.00 C ATOM 339 C ILE A 24 7.520 -4.748 3.596 1.00 0.00 C ATOM 340 O ILE A 24 6.506 -4.318 4.167 1.00 0.00 O ATOM 341 CB ILE A 24 7.489 -4.354 1.086 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.169 -4.943 -0.302 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.867 -3.728 1.024 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.720 -5.168 -0.601 1.00 0.00 C ATOM 0 H ILE A 24 5.323 -5.477 2.143 1.00 0.00 H new ATOM 0 HA ILE A 24 8.183 -6.149 2.088 1.00 0.00 H new ATOM 0 HB ILE A 24 6.745 -3.596 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.577 -4.275 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.692 -5.894 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.899 -2.998 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.084 -3.232 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.611 -4.503 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.616 -5.584 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.302 -5.864 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.185 -4.220 -0.544 1.00 0.00 H new ATOM 356 N ARG A 25 8.730 -4.664 4.122 1.00 0.00 N ATOM 357 CA ARG A 25 8.954 -4.064 5.411 1.00 0.00 C ATOM 358 C ARG A 25 8.618 -2.578 5.337 1.00 0.00 C ATOM 359 O ARG A 25 9.194 -1.827 4.554 1.00 0.00 O ATOM 360 CB ARG A 25 10.416 -4.297 5.867 1.00 0.00 C ATOM 361 CG ARG A 25 11.473 -3.692 4.950 1.00 0.00 C ATOM 362 CD ARG A 25 12.874 -4.112 5.326 1.00 0.00 C ATOM 363 NE ARG A 25 13.867 -3.548 4.403 1.00 0.00 N ATOM 364 CZ ARG A 25 15.188 -3.509 4.609 1.00 0.00 C ATOM 365 NH1 ARG A 25 15.722 -4.032 5.708 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.976 -2.955 3.712 1.00 0.00 N ATOM 0 H ARG A 25 9.574 -5.009 3.666 1.00 0.00 H new ATOM 0 HA ARG A 25 8.305 -4.529 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.541 -3.881 6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.592 -5.370 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.271 -3.991 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.401 -2.605 4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.093 -3.786 6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.944 -5.200 5.318 1.00 0.00 H new ATOM 0 HE ARG A 25 13.520 -3.152 3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 25 15.123 -4.470 6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.731 -3.995 5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.579 -2.556 2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.984 -2.924 3.868 1.00 0.00 H new ATOM 380 N ILE A 26 7.674 -2.164 6.141 1.00 0.00 N ATOM 381 CA ILE A 26 7.186 -0.795 6.109 1.00 0.00 C ATOM 382 C ILE A 26 8.196 0.185 6.623 1.00 0.00 C ATOM 383 O ILE A 26 8.129 1.375 6.339 1.00 0.00 O ATOM 384 CB ILE A 26 5.801 -0.623 6.806 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.729 -1.255 8.225 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.731 -1.203 5.930 1.00 0.00 C ATOM 387 CD1 ILE A 26 6.541 -0.567 9.301 1.00 0.00 C ATOM 0 H ILE A 26 7.219 -2.756 6.836 1.00 0.00 H new ATOM 0 HA ILE A 26 7.028 -0.565 5.055 1.00 0.00 H new ATOM 0 HB ILE A 26 5.649 0.447 6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.686 -1.272 8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.059 -2.292 8.156 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.761 -1.085 6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.724 -0.684 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.929 -2.263 5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.414 -1.095 10.246 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.594 -0.573 9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.200 0.462 9.412 1.00 0.00 H new ATOM 399 N GLN A 27 9.181 -0.340 7.303 1.00 0.00 N ATOM 400 CA GLN A 27 10.201 0.477 7.904 1.00 0.00 C ATOM 401 C GLN A 27 11.108 1.058 6.842 1.00 0.00 C ATOM 402 O GLN A 27 11.711 2.110 7.034 1.00 0.00 O ATOM 403 CB GLN A 27 11.007 -0.319 8.917 1.00 0.00 C ATOM 404 CG GLN A 27 11.685 -1.552 8.343 1.00 0.00 C ATOM 405 CD GLN A 27 12.687 -2.160 9.288 1.00 0.00 C ATOM 406 OE1 GLN A 27 13.868 -1.827 9.244 1.00 0.00 O ATOM 407 NE2 GLN A 27 12.230 -3.014 10.157 1.00 0.00 N ATOM 0 H GLN A 27 9.298 -1.342 7.455 1.00 0.00 H new ATOM 0 HA GLN A 27 9.713 1.298 8.430 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.767 0.331 9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.348 -0.626 9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.927 -2.296 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.186 -1.286 7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.241 -3.262 10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.861 -3.436 10.838 1.00 0.00 H new ATOM 416 N GLN A 28 11.156 0.402 5.691 1.00 0.00 N ATOM 417 CA GLN A 28 12.016 0.850 4.641 1.00 0.00 C ATOM 418 C GLN A 28 11.318 1.950 3.841 1.00 0.00 C ATOM 419 O GLN A 28 11.956 2.730 3.144 1.00 0.00 O ATOM 420 CB GLN A 28 12.434 -0.304 3.731 1.00 0.00 C ATOM 421 CG GLN A 28 11.434 -0.691 2.667 1.00 0.00 C ATOM 422 CD GLN A 28 11.992 -1.699 1.708 1.00 0.00 C ATOM 423 OE1 GLN A 28 12.822 -2.522 2.066 1.00 0.00 O ATOM 424 NE2 GLN A 28 11.571 -1.626 0.486 1.00 0.00 N ATOM 0 H GLN A 28 10.610 -0.432 5.476 1.00 0.00 H new ATOM 0 HA GLN A 28 12.925 1.255 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.372 -0.037 3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.634 -1.178 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.541 -1.098 3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.126 0.199 2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.877 -0.925 0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.933 -2.270 -0.217 1.00 0.00 H new ATOM 433 N LEU A 29 9.990 2.013 3.976 1.00 0.00 N ATOM 434 CA LEU A 29 9.197 3.011 3.263 1.00 0.00 C ATOM 435 C LEU A 29 8.968 4.211 4.099 1.00 0.00 C ATOM 436 O LEU A 29 8.392 5.190 3.627 1.00 0.00 O ATOM 437 CB LEU A 29 7.831 2.498 2.783 1.00 0.00 C ATOM 438 CG LEU A 29 7.817 1.451 1.681 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.854 1.772 0.615 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.966 0.058 2.237 1.00 0.00 C ATOM 0 H LEU A 29 9.446 1.387 4.570 1.00 0.00 H new ATOM 0 HA LEU A 29 9.792 3.256 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.306 2.085 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.253 3.355 2.438 1.00 0.00 H new ATOM 0 HG LEU A 29 6.842 1.481 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.825 1.009 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.635 2.746 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.846 1.792 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.952 -0.663 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.912 -0.020 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.143 -0.151 2.920 1.00 0.00 H new ATOM 452 N ASN A 30 9.425 4.152 5.333 1.00 0.00 N ATOM 453 CA ASN A 30 9.257 5.243 6.276 1.00 0.00 C ATOM 454 C ASN A 30 9.860 6.529 5.723 1.00 0.00 C ATOM 455 O ASN A 30 9.315 7.593 5.936 1.00 0.00 O ATOM 456 CB ASN A 30 9.876 4.890 7.639 1.00 0.00 C ATOM 457 CG ASN A 30 9.748 5.989 8.715 1.00 0.00 C ATOM 458 OD1 ASN A 30 8.635 6.693 8.771 1.00 0.00 O flip ATOM 459 ND2 ASN A 30 10.643 6.146 9.544 1.00 0.00 N flip ATOM 0 H ASN A 30 9.924 3.347 5.712 1.00 0.00 H new ATOM 0 HA ASN A 30 8.189 5.403 6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.404 3.981 8.011 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.933 4.665 7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.497 5.591 9.484 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.531 6.831 10.292 1.00 0.00 H new ATOM 466 N HIS A 31 10.932 6.411 4.928 1.00 0.00 N ATOM 467 CA HIS A 31 11.578 7.596 4.372 1.00 0.00 C ATOM 468 C HIS A 31 10.650 8.220 3.340 1.00 0.00 C ATOM 469 O HIS A 31 10.315 9.390 3.442 1.00 0.00 O ATOM 470 CB HIS A 31 12.924 7.267 3.717 1.00 0.00 C ATOM 471 CG HIS A 31 13.827 8.464 3.548 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.099 8.547 4.071 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.620 9.631 2.888 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.610 9.728 3.728 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.749 10.429 3.006 1.00 0.00 N ATOM 0 H HIS A 31 11.360 5.524 4.662 1.00 0.00 H new ATOM 0 HA HIS A 31 11.774 8.291 5.189 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.438 6.518 4.320 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.742 6.820 2.740 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.567 7.829 4.624 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.719 9.897 2.355 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.597 10.069 4.003 1.00 0.00 H new ATOM 483 N CYS A 32 10.216 7.409 2.373 1.00 0.00 N ATOM 484 CA CYS A 32 9.298 7.849 1.321 1.00 0.00 C ATOM 485 C CYS A 32 8.041 8.435 1.945 1.00 0.00 C ATOM 486 O CYS A 32 7.660 9.558 1.652 1.00 0.00 O ATOM 487 CB CYS A 32 8.944 6.676 0.390 1.00 0.00 C ATOM 488 SG CYS A 32 9.630 6.793 -1.287 1.00 0.00 S ATOM 0 H CYS A 32 10.491 6.430 2.297 1.00 0.00 H new ATOM 0 HA CYS A 32 9.787 8.620 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.296 5.751 0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.859 6.604 0.318 1.00 0.00 H new ATOM 493 N GLN A 33 7.446 7.674 2.845 1.00 0.00 N ATOM 494 CA GLN A 33 6.296 8.078 3.599 1.00 0.00 C ATOM 495 C GLN A 33 6.495 9.444 4.293 1.00 0.00 C ATOM 496 O GLN A 33 5.721 10.372 4.061 1.00 0.00 O ATOM 497 CB GLN A 33 5.992 7.004 4.633 1.00 0.00 C ATOM 498 CG GLN A 33 5.113 7.493 5.756 1.00 0.00 C ATOM 499 CD GLN A 33 5.054 6.551 6.934 1.00 0.00 C ATOM 500 OE1 GLN A 33 4.008 5.803 7.040 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 5.914 6.600 7.820 1.00 0.00 N flip ATOM 0 H GLN A 33 7.767 6.732 3.071 1.00 0.00 H new ATOM 0 HA GLN A 33 5.460 8.196 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.506 6.162 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.929 6.633 5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.478 8.463 6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.104 7.648 5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.730 7.202 7.706 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.808 6.039 8.665 1.00 0.00 H new ATOM 510 N MET A 34 7.533 9.573 5.115 1.00 0.00 N ATOM 511 CA MET A 34 7.707 10.801 5.881 1.00 0.00 C ATOM 512 C MET A 34 8.086 11.967 5.010 1.00 0.00 C ATOM 513 O MET A 34 7.530 13.041 5.144 1.00 0.00 O ATOM 514 CB MET A 34 8.701 10.672 7.053 1.00 0.00 C ATOM 515 CG MET A 34 10.150 10.386 6.686 1.00 0.00 C ATOM 516 SD MET A 34 11.252 10.455 8.113 1.00 0.00 S ATOM 517 CE MET A 34 11.126 12.198 8.542 1.00 0.00 C ATOM 0 H MET A 34 8.249 8.862 5.265 1.00 0.00 H new ATOM 0 HA MET A 34 6.726 10.991 6.316 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.671 11.597 7.629 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.352 9.876 7.710 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.217 9.400 6.227 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.482 11.108 5.940 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.119 12.592 8.759 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.692 12.748 7.707 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.491 12.311 9.420 1.00 0.00 H new ATOM 527 N HIS A 35 8.980 11.740 4.085 1.00 0.00 N ATOM 528 CA HIS A 35 9.505 12.804 3.247 1.00 0.00 C ATOM 529 C HIS A 35 8.421 13.352 2.317 1.00 0.00 C ATOM 530 O HIS A 35 8.487 14.503 1.890 1.00 0.00 O ATOM 531 CB HIS A 35 10.685 12.294 2.427 1.00 0.00 C ATOM 532 CG HIS A 35 11.661 13.351 2.019 1.00 0.00 C ATOM 533 ND1 HIS A 35 11.328 14.659 1.706 1.00 0.00 N ATOM 534 CD2 HIS A 35 13.001 13.274 1.916 1.00 0.00 C ATOM 535 CE1 HIS A 35 12.451 15.318 1.432 1.00 0.00 C ATOM 536 NE2 HIS A 35 13.502 14.522 1.542 1.00 0.00 N ATOM 0 H HIS A 35 9.369 10.818 3.885 1.00 0.00 H new ATOM 0 HA HIS A 35 9.843 13.612 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.212 11.535 3.005 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.304 11.804 1.531 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.386 15.049 1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.593 12.389 2.094 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.498 16.361 1.157 1.00 0.00 H new ATOM 544 N LEU A 36 7.450 12.524 1.989 1.00 0.00 N ATOM 545 CA LEU A 36 6.359 12.956 1.152 1.00 0.00 C ATOM 546 C LEU A 36 5.224 13.548 1.955 1.00 0.00 C ATOM 547 O LEU A 36 4.491 14.386 1.469 1.00 0.00 O ATOM 548 CB LEU A 36 5.852 11.831 0.267 1.00 0.00 C ATOM 549 CG LEU A 36 6.862 11.287 -0.746 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.268 10.157 -1.542 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.388 12.378 -1.670 1.00 0.00 C ATOM 0 H LEU A 36 7.398 11.551 2.291 1.00 0.00 H new ATOM 0 HA LEU A 36 6.757 13.742 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.524 11.010 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.974 12.185 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 36 7.711 10.904 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.005 9.787 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.978 9.350 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.390 10.513 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.102 11.947 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.558 12.819 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.882 13.149 -1.078 1.00 0.00 H new ATOM 563 N THR A 37 5.054 13.125 3.173 1.00 0.00 N ATOM 564 CA THR A 37 3.988 13.688 3.942 1.00 0.00 C ATOM 565 C THR A 37 4.411 14.992 4.611 1.00 0.00 C ATOM 566 O THR A 37 3.569 15.810 5.007 1.00 0.00 O ATOM 567 CB THR A 37 3.452 12.696 4.977 1.00 0.00 C ATOM 568 OG1 THR A 37 4.537 12.187 5.761 1.00 0.00 O ATOM 569 CG2 THR A 37 2.736 11.536 4.306 1.00 0.00 C ATOM 0 H THR A 37 5.619 12.417 3.642 1.00 0.00 H new ATOM 0 HA THR A 37 3.179 13.913 3.248 1.00 0.00 H new ATOM 0 HB THR A 37 2.741 13.222 5.614 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.983 11.464 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.366 10.848 5.066 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.898 11.915 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.430 11.012 3.649 1.00 0.00 H new ATOM 577 N SER A 38 5.694 15.170 4.770 1.00 0.00 N ATOM 578 CA SER A 38 6.209 16.376 5.352 1.00 0.00 C ATOM 579 C SER A 38 6.530 17.444 4.318 1.00 0.00 C ATOM 580 O SER A 38 7.310 17.212 3.390 1.00 0.00 O ATOM 581 CB SER A 38 7.408 16.110 6.293 1.00 0.00 C ATOM 582 OG SER A 38 8.473 15.428 5.646 1.00 0.00 O ATOM 0 H SER A 38 6.405 14.489 4.502 1.00 0.00 H new ATOM 0 HA SER A 38 5.402 16.775 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.775 17.059 6.685 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.071 15.522 7.147 1.00 0.00 H new ATOM 0 HG SER A 38 8.191 14.516 5.426 1.00 0.00 H new ATOM 588 N PHE A 39 5.920 18.585 4.440 1.00 0.00 N ATOM 589 CA PHE A 39 6.373 19.715 3.688 1.00 0.00 C ATOM 590 C PHE A 39 7.392 20.383 4.544 1.00 0.00 C ATOM 591 O PHE A 39 7.062 21.201 5.414 1.00 0.00 O ATOM 592 CB PHE A 39 5.249 20.674 3.305 1.00 0.00 C ATOM 593 CG PHE A 39 4.301 20.088 2.321 1.00 0.00 C ATOM 594 CD1 PHE A 39 4.656 19.987 0.990 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.066 19.632 2.717 1.00 0.00 C ATOM 596 CE1 PHE A 39 3.800 19.443 0.072 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.205 19.088 1.804 1.00 0.00 C ATOM 598 CZ PHE A 39 2.574 18.993 0.477 1.00 0.00 C ATOM 0 H PHE A 39 5.117 18.757 5.045 1.00 0.00 H new ATOM 0 HA PHE A 39 6.787 19.392 2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.702 20.962 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.680 21.584 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.624 20.343 0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.774 19.704 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.091 19.369 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.236 18.733 2.121 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.893 18.563 -0.242 1.00 0.00 H new ATOM 865 N HIS A 55 15.368 11.777 -2.426 1.00 0.00 N ATOM 866 CA HIS A 55 14.590 10.759 -1.781 1.00 0.00 C ATOM 867 C HIS A 55 14.255 9.643 -2.723 1.00 0.00 C ATOM 868 O HIS A 55 14.032 8.532 -2.299 1.00 0.00 O ATOM 869 CB HIS A 55 13.361 11.323 -1.028 1.00 0.00 C ATOM 870 CG HIS A 55 12.540 12.354 -1.764 1.00 0.00 C ATOM 871 ND1 HIS A 55 12.330 13.628 -1.294 1.00 0.00 N ATOM 872 CD2 HIS A 55 11.845 12.267 -2.909 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.525 14.261 -2.142 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.193 13.479 -3.147 1.00 0.00 N ATOM 0 HA HIS A 55 15.216 10.325 -1.001 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.709 10.490 -0.766 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.706 11.764 -0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 55 11.797 11.396 -3.546 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.189 15.280 -2.022 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.587 13.710 -3.934 1.00 0.00 H new ATOM 882 N LEU A 56 14.290 9.928 -4.011 1.00 0.00 N ATOM 883 CA LEU A 56 14.088 8.897 -5.002 1.00 0.00 C ATOM 884 C LEU A 56 15.295 7.999 -4.984 1.00 0.00 C ATOM 885 O LEU A 56 15.158 6.794 -4.950 1.00 0.00 O ATOM 886 CB LEU A 56 13.826 9.496 -6.410 1.00 0.00 C ATOM 887 CG LEU A 56 13.608 8.515 -7.612 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.903 7.902 -8.137 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.614 7.422 -7.259 1.00 0.00 C ATOM 0 H LEU A 56 14.456 10.860 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 56 13.197 8.317 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.946 10.135 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.669 10.141 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 56 13.198 9.124 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.678 7.233 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.568 8.695 -8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.389 7.339 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.485 6.758 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.988 6.851 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.655 7.872 -7.001 1.00 0.00 H new ATOM 901 N SER A 57 16.472 8.603 -4.945 1.00 0.00 N ATOM 902 CA SER A 57 17.722 7.870 -4.899 1.00 0.00 C ATOM 903 C SER A 57 17.753 6.943 -3.697 1.00 0.00 C ATOM 904 O SER A 57 18.240 5.834 -3.784 1.00 0.00 O ATOM 905 CB SER A 57 18.909 8.840 -4.850 1.00 0.00 C ATOM 906 OG SER A 57 18.912 9.708 -5.982 1.00 0.00 O ATOM 0 H SER A 57 16.585 9.617 -4.944 1.00 0.00 H new ATOM 0 HA SER A 57 17.800 7.267 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.862 9.431 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.842 8.277 -4.818 1.00 0.00 H new ATOM 0 HG SER A 57 19.678 10.317 -5.925 1.00 0.00 H new ATOM 912 N LEU A 58 17.184 7.390 -2.608 1.00 0.00 N ATOM 913 CA LEU A 58 17.175 6.630 -1.384 1.00 0.00 C ATOM 914 C LEU A 58 16.075 5.575 -1.415 1.00 0.00 C ATOM 915 O LEU A 58 16.338 4.389 -1.240 1.00 0.00 O ATOM 916 CB LEU A 58 16.976 7.578 -0.204 1.00 0.00 C ATOM 917 CG LEU A 58 17.899 8.810 -0.201 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.614 9.715 0.972 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.363 8.413 -0.218 1.00 0.00 C ATOM 0 H LEU A 58 16.713 8.292 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 58 18.129 6.115 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.940 7.918 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.133 7.022 0.721 1.00 0.00 H new ATOM 0 HG LEU A 58 17.688 9.363 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.285 10.574 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.581 10.060 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.770 9.167 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.983 9.309 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.588 7.814 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.572 7.830 -1.115 1.00 0.00 H new ATOM 931 N CYS A 59 14.870 6.006 -1.693 1.00 0.00 N ATOM 932 CA CYS A 59 13.700 5.145 -1.670 1.00 0.00 C ATOM 933 C CYS A 59 13.773 4.082 -2.770 1.00 0.00 C ATOM 934 O CYS A 59 13.604 2.902 -2.483 1.00 0.00 O ATOM 935 CB CYS A 59 12.447 6.002 -1.791 1.00 0.00 C ATOM 936 SG CYS A 59 10.864 5.191 -1.460 1.00 0.00 S ATOM 0 H CYS A 59 14.665 6.973 -1.945 1.00 0.00 H new ATOM 0 HA CYS A 59 13.665 4.608 -0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.546 6.845 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.413 6.412 -2.800 1.00 0.00 H new ATOM 941 N CYS A 60 14.086 4.488 -4.022 1.00 0.00 N ATOM 942 CA CYS A 60 14.250 3.536 -5.130 1.00 0.00 C ATOM 943 C CYS A 60 15.343 2.519 -4.809 1.00 0.00 C ATOM 944 O CYS A 60 15.210 1.355 -5.112 1.00 0.00 O ATOM 945 CB CYS A 60 14.535 4.276 -6.465 1.00 0.00 C ATOM 946 SG CYS A 60 14.957 3.232 -7.919 1.00 0.00 S ATOM 0 H CYS A 60 14.228 5.464 -4.283 1.00 0.00 H new ATOM 0 HA CYS A 60 13.314 2.991 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.657 4.871 -6.717 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.356 4.974 -6.298 1.00 0.00 H new ATOM 951 N ASN A 61 16.373 2.957 -4.093 1.00 0.00 N ATOM 952 CA ASN A 61 17.506 2.085 -3.750 1.00 0.00 C ATOM 953 C ASN A 61 17.129 1.137 -2.631 1.00 0.00 C ATOM 954 O ASN A 61 17.709 0.067 -2.471 1.00 0.00 O ATOM 955 CB ASN A 61 18.690 2.929 -3.323 1.00 0.00 C ATOM 956 CG ASN A 61 19.972 2.154 -3.077 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.234 1.141 -3.724 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.783 2.625 -2.159 1.00 0.00 N ATOM 0 H ASN A 61 16.453 3.909 -3.736 1.00 0.00 H new ATOM 0 HA ASN A 61 17.772 1.499 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.878 3.680 -4.091 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.426 3.465 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.663 2.148 -1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.533 3.468 -1.642 1.00 0.00 H new ATOM 965 N GLN A 62 16.171 1.528 -1.855 1.00 0.00 N ATOM 966 CA GLN A 62 15.732 0.709 -0.771 1.00 0.00 C ATOM 967 C GLN A 62 14.696 -0.297 -1.245 1.00 0.00 C ATOM 968 O GLN A 62 14.797 -1.489 -0.966 1.00 0.00 O ATOM 969 CB GLN A 62 15.186 1.570 0.361 1.00 0.00 C ATOM 970 CG GLN A 62 14.869 0.784 1.602 1.00 0.00 C ATOM 971 CD GLN A 62 16.102 0.154 2.206 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.489 -0.956 1.850 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.690 0.826 3.148 1.00 0.00 N ATOM 0 H GLN A 62 15.675 2.414 -1.952 1.00 0.00 H new ATOM 0 HA GLN A 62 16.587 0.152 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.915 2.343 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.284 2.078 0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.401 1.440 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.145 0.005 1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.338 1.745 3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.504 0.435 3.621 1.00 0.00 H new ATOM 982 N LEU A 63 13.736 0.176 -1.999 1.00 0.00 N ATOM 983 CA LEU A 63 12.654 -0.657 -2.475 1.00 0.00 C ATOM 984 C LEU A 63 13.182 -1.745 -3.412 1.00 0.00 C ATOM 985 O LEU A 63 12.651 -2.832 -3.463 1.00 0.00 O ATOM 986 CB LEU A 63 11.578 0.223 -3.154 1.00 0.00 C ATOM 987 CG LEU A 63 11.948 0.874 -4.487 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.742 -0.062 -5.636 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.186 2.141 -4.696 1.00 0.00 C ATOM 0 H LEU A 63 13.680 1.148 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 63 12.189 -1.164 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.691 -0.390 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.299 1.014 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 63 13.010 1.116 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.016 0.437 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.365 -0.946 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.694 -0.360 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.469 2.582 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.117 1.927 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.415 2.840 -3.892 1.00 0.00 H new ATOM 1001 N GLN A 64 14.247 -1.419 -4.131 1.00 0.00 N ATOM 1002 CA GLN A 64 14.853 -2.314 -5.106 1.00 0.00 C ATOM 1003 C GLN A 64 15.576 -3.499 -4.451 1.00 0.00 C ATOM 1004 O GLN A 64 16.015 -4.417 -5.137 1.00 0.00 O ATOM 1005 CB GLN A 64 15.820 -1.561 -6.011 1.00 0.00 C ATOM 1006 CG GLN A 64 17.077 -1.124 -5.310 1.00 0.00 C ATOM 1007 CD GLN A 64 18.181 -0.724 -6.255 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.947 -0.241 -7.369 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.390 -0.956 -5.844 1.00 0.00 N ATOM 0 H GLN A 64 14.719 -0.518 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 64 14.034 -2.715 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.086 -2.197 -6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.317 -0.684 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.846 -0.283 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.430 -1.935 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.546 -1.355 -4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 64 20.184 -0.739 -6.446 1.00 0.00 H new ATOM 1018 N GLU A 65 15.747 -3.461 -3.136 1.00 0.00 N ATOM 1019 CA GLU A 65 16.359 -4.587 -2.435 1.00 0.00 C ATOM 1020 C GLU A 65 15.341 -5.707 -2.324 1.00 0.00 C ATOM 1021 O GLU A 65 15.676 -6.882 -2.138 1.00 0.00 O ATOM 1022 CB GLU A 65 16.855 -4.175 -1.054 1.00 0.00 C ATOM 1023 CG GLU A 65 17.936 -3.109 -1.076 1.00 0.00 C ATOM 1024 CD GLU A 65 19.157 -3.528 -1.859 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.959 -4.340 -1.355 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.373 -3.014 -2.981 1.00 0.00 O ATOM 0 H GLU A 65 15.477 -2.679 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 65 17.225 -4.930 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.010 -3.809 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.239 -5.056 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.529 -2.195 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.229 -2.875 -0.053 1.00 0.00 H new ATOM 1033 N VAL A 66 14.105 -5.322 -2.446 1.00 0.00 N ATOM 1034 CA VAL A 66 12.978 -6.241 -2.449 1.00 0.00 C ATOM 1035 C VAL A 66 12.848 -6.811 -3.880 1.00 0.00 C ATOM 1036 O VAL A 66 13.454 -6.275 -4.800 1.00 0.00 O ATOM 1037 CB VAL A 66 11.671 -5.478 -2.074 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.532 -6.413 -1.756 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.908 -4.534 -0.925 1.00 0.00 C ATOM 0 H VAL A 66 13.834 -4.344 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 66 13.134 -7.040 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 66 11.383 -4.900 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.645 -5.833 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.320 -7.037 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.806 -7.046 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.981 -4.015 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.245 -5.097 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.670 -3.806 -1.204 1.00 0.00 H new ATOM 1049 N GLU A 67 12.110 -7.910 -4.051 1.00 0.00 N ATOM 1050 CA GLU A 67 11.868 -8.505 -5.380 1.00 0.00 C ATOM 1051 C GLU A 67 11.290 -7.492 -6.315 1.00 0.00 C ATOM 1052 O GLU A 67 10.463 -6.715 -5.905 1.00 0.00 O ATOM 1053 CB GLU A 67 10.862 -9.604 -5.268 1.00 0.00 C ATOM 1054 CG GLU A 67 11.374 -10.865 -4.686 1.00 0.00 C ATOM 1055 CD GLU A 67 10.259 -11.813 -4.431 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.808 -12.493 -5.369 1.00 0.00 O ATOM 1057 OE2 GLU A 67 9.790 -11.872 -3.282 1.00 0.00 O ATOM 0 H GLU A 67 11.664 -8.413 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 67 12.824 -8.873 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.029 -9.253 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.465 -9.815 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.096 -11.318 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.900 -10.655 -3.755 1.00 0.00 H new ATOM 1064 N LYS A 68 11.660 -7.552 -7.574 1.00 0.00 N ATOM 1065 CA LYS A 68 11.208 -6.582 -8.571 1.00 0.00 C ATOM 1066 C LYS A 68 9.686 -6.513 -8.700 1.00 0.00 C ATOM 1067 O LYS A 68 9.113 -5.437 -8.922 1.00 0.00 O ATOM 1068 CB LYS A 68 11.901 -6.788 -9.923 1.00 0.00 C ATOM 1069 CG LYS A 68 11.744 -8.154 -10.557 1.00 0.00 C ATOM 1070 CD LYS A 68 12.526 -8.221 -11.864 1.00 0.00 C ATOM 1071 CE LYS A 68 14.044 -8.177 -11.645 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.793 -8.199 -12.923 1.00 0.00 N ATOM 0 H LYS A 68 12.282 -8.270 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 68 11.513 -5.603 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.520 -6.042 -10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.965 -6.591 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.100 -8.924 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.690 -8.357 -10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.265 -9.138 -12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.230 -7.389 -12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.303 -7.276 -11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.346 -9.027 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.814 -8.168 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.566 -9.071 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.525 -7.374 -13.497 1.00 0.00 H new ATOM 1086 N GLN A 69 9.040 -7.636 -8.477 1.00 0.00 N ATOM 1087 CA GLN A 69 7.590 -7.719 -8.539 1.00 0.00 C ATOM 1088 C GLN A 69 6.974 -7.123 -7.268 1.00 0.00 C ATOM 1089 O GLN A 69 5.823 -6.703 -7.256 1.00 0.00 O ATOM 1090 CB GLN A 69 7.147 -9.178 -8.730 1.00 0.00 C ATOM 1091 CG GLN A 69 7.521 -10.121 -7.585 1.00 0.00 C ATOM 1092 CD GLN A 69 7.179 -11.567 -7.885 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.252 -11.859 -8.639 1.00 0.00 O ATOM 1094 NE2 GLN A 69 7.885 -12.477 -7.286 1.00 0.00 N ATOM 0 H GLN A 69 9.500 -8.517 -8.248 1.00 0.00 H new ATOM 0 HA GLN A 69 7.238 -7.143 -9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.065 -9.200 -8.860 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.587 -9.558 -9.652 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.589 -10.038 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.002 -9.809 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.648 -12.205 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.677 -13.464 -7.435 1.00 0.00 H new ATOM 1103 N CYS A 70 7.781 -7.043 -6.225 1.00 0.00 N ATOM 1104 CA CYS A 70 7.356 -6.547 -4.937 1.00 0.00 C ATOM 1105 C CYS A 70 7.872 -5.127 -4.703 1.00 0.00 C ATOM 1106 O CYS A 70 7.459 -4.455 -3.766 1.00 0.00 O ATOM 1107 CB CYS A 70 7.842 -7.476 -3.832 1.00 0.00 C ATOM 1108 SG CYS A 70 7.297 -9.214 -4.006 1.00 0.00 S ATOM 0 H CYS A 70 8.761 -7.325 -6.254 1.00 0.00 H new ATOM 0 HA CYS A 70 6.266 -6.519 -4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.931 -7.451 -3.807 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.492 -7.093 -2.873 1.00 0.00 H new ATOM 1113 N GLN A 71 8.771 -4.682 -5.570 1.00 0.00 N ATOM 1114 CA GLN A 71 9.315 -3.333 -5.527 1.00 0.00 C ATOM 1115 C GLN A 71 8.201 -2.336 -5.753 1.00 0.00 C ATOM 1116 O GLN A 71 8.143 -1.302 -5.114 1.00 0.00 O ATOM 1117 CB GLN A 71 10.422 -3.168 -6.579 1.00 0.00 C ATOM 1118 CG GLN A 71 11.688 -3.964 -6.265 1.00 0.00 C ATOM 1119 CD GLN A 71 12.786 -3.864 -7.324 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.902 -2.739 -7.966 1.00 0.00 O flip ATOM 1121 NE2 GLN A 71 13.552 -4.801 -7.530 1.00 0.00 N flip ATOM 0 H GLN A 71 9.146 -5.252 -6.328 1.00 0.00 H new ATOM 0 HA GLN A 71 9.757 -3.151 -4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.038 -3.480 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.678 -2.112 -6.662 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.090 -3.620 -5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.419 -5.013 -6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.441 -5.674 -7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.300 -4.707 -8.217 1.00 0.00 H new ATOM 1130 N CYS A 72 7.280 -2.683 -6.634 1.00 0.00 N ATOM 1131 CA CYS A 72 6.139 -1.837 -6.876 1.00 0.00 C ATOM 1132 C CYS A 72 5.078 -2.029 -5.830 1.00 0.00 C ATOM 1133 O CYS A 72 4.298 -1.127 -5.553 1.00 0.00 O ATOM 1134 CB CYS A 72 5.584 -2.030 -8.261 1.00 0.00 C ATOM 1135 SG CYS A 72 5.267 -3.745 -8.762 1.00 0.00 S ATOM 0 H CYS A 72 7.304 -3.540 -7.187 1.00 0.00 H new ATOM 0 HA CYS A 72 6.485 -0.806 -6.807 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.651 -1.472 -8.337 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.279 -1.587 -8.974 1.00 0.00 H new ATOM 1140 N GLU A 73 5.082 -3.184 -5.213 1.00 0.00 N ATOM 1141 CA GLU A 73 4.144 -3.478 -4.157 1.00 0.00 C ATOM 1142 C GLU A 73 4.458 -2.582 -2.948 1.00 0.00 C ATOM 1143 O GLU A 73 3.557 -2.102 -2.257 1.00 0.00 O ATOM 1144 CB GLU A 73 4.246 -4.940 -3.749 1.00 0.00 C ATOM 1145 CG GLU A 73 3.911 -5.944 -4.829 1.00 0.00 C ATOM 1146 CD GLU A 73 2.452 -6.108 -5.062 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.852 -7.026 -4.461 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.887 -5.369 -5.881 1.00 0.00 O ATOM 0 H GLU A 73 5.730 -3.942 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 73 3.131 -3.286 -4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.261 -5.132 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.582 -5.109 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.386 -5.635 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.338 -6.910 -4.559 1.00 0.00 H new ATOM 1155 N ALA A 74 5.767 -2.335 -2.730 1.00 0.00 N ATOM 1156 CA ALA A 74 6.253 -1.487 -1.669 1.00 0.00 C ATOM 1157 C ALA A 74 5.729 -0.073 -1.832 1.00 0.00 C ATOM 1158 O ALA A 74 5.502 0.631 -0.853 1.00 0.00 O ATOM 1159 CB ALA A 74 7.774 -1.491 -1.677 1.00 0.00 C ATOM 0 H ALA A 74 6.510 -2.733 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 74 5.895 -1.872 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.144 -0.851 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.136 -2.508 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.134 -1.117 -2.636 1.00 0.00 H new ATOM 1165 N ILE A 75 5.474 0.299 -3.076 1.00 0.00 N ATOM 1166 CA ILE A 75 5.001 1.626 -3.423 1.00 0.00 C ATOM 1167 C ILE A 75 3.591 1.802 -2.935 1.00 0.00 C ATOM 1168 O ILE A 75 3.220 2.860 -2.424 1.00 0.00 O ATOM 1169 CB ILE A 75 5.000 1.836 -4.950 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.374 1.527 -5.543 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.536 3.234 -5.317 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.526 2.225 -4.880 1.00 0.00 C ATOM 0 H ILE A 75 5.591 -0.319 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 75 5.671 2.348 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 75 4.286 1.136 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.542 0.451 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.365 1.796 -6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.547 3.348 -6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.523 3.390 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.204 3.969 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.456 1.941 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.390 3.304 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.569 1.938 -3.829 1.00 0.00 H new ATOM 1184 N LYS A 76 2.825 0.732 -3.036 1.00 0.00 N ATOM 1185 CA LYS A 76 1.440 0.755 -2.667 1.00 0.00 C ATOM 1186 C LYS A 76 1.379 0.991 -1.188 1.00 0.00 C ATOM 1187 O LYS A 76 0.620 1.841 -0.696 1.00 0.00 O ATOM 1188 CB LYS A 76 0.790 -0.588 -3.014 1.00 0.00 C ATOM 1189 CG LYS A 76 0.955 -1.014 -4.480 1.00 0.00 C ATOM 1190 CD LYS A 76 0.293 -0.043 -5.454 1.00 0.00 C ATOM 1191 CE LYS A 76 -1.217 -0.032 -5.286 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.881 0.893 -6.224 1.00 0.00 N ATOM 0 H LYS A 76 3.154 -0.172 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 76 0.906 1.539 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.217 -1.360 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.274 -0.534 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.017 -1.090 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.527 -2.007 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.686 0.961 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.545 -0.323 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.604 -1.039 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.464 0.253 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.909 0.865 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.533 1.860 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.669 0.608 -7.201 1.00 0.00 H new ATOM 1206 N GLN A 77 2.291 0.316 -0.508 1.00 0.00 N ATOM 1207 CA GLN A 77 2.401 0.368 0.922 1.00 0.00 C ATOM 1208 C GLN A 77 2.690 1.773 1.381 1.00 0.00 C ATOM 1209 O GLN A 77 2.165 2.191 2.399 1.00 0.00 O ATOM 1210 CB GLN A 77 3.505 -0.537 1.452 1.00 0.00 C ATOM 1211 CG GLN A 77 3.525 -1.936 0.879 1.00 0.00 C ATOM 1212 CD GLN A 77 4.193 -2.930 1.814 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.845 -4.117 1.840 1.00 0.00 O ATOM 1214 NE2 GLN A 77 5.145 -2.470 2.584 1.00 0.00 N ATOM 0 H GLN A 77 2.982 -0.290 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 77 1.444 0.024 1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.467 -0.066 1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.406 -0.607 2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.504 -2.259 0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.051 -1.928 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.408 -1.485 2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.625 -3.096 3.231 1.00 0.00 H new ATOM 1223 N VAL A 78 3.533 2.502 0.626 1.00 0.00 N ATOM 1224 CA VAL A 78 3.885 3.873 0.994 1.00 0.00 C ATOM 1225 C VAL A 78 2.644 4.718 1.010 1.00 0.00 C ATOM 1226 O VAL A 78 2.412 5.455 1.953 1.00 0.00 O ATOM 1227 CB VAL A 78 4.865 4.578 0.020 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.320 5.903 0.610 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.041 3.719 -0.335 1.00 0.00 C ATOM 0 H VAL A 78 3.974 2.165 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 78 4.372 3.784 1.965 1.00 0.00 H new ATOM 0 HB VAL A 78 4.326 4.764 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.008 6.392 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.454 6.545 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.825 5.724 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.694 4.261 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.593 3.466 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.692 2.805 -0.815 1.00 0.00 H new ATOM 1239 N VAL A 79 1.820 4.553 -0.016 1.00 0.00 N ATOM 1240 CA VAL A 79 0.652 5.385 -0.176 1.00 0.00 C ATOM 1241 C VAL A 79 -0.299 5.113 0.954 1.00 0.00 C ATOM 1242 O VAL A 79 -0.744 6.029 1.637 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.074 5.125 -1.512 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.203 6.126 -1.707 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.898 5.154 -2.683 1.00 0.00 C ATOM 0 H VAL A 79 1.945 3.850 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 79 0.982 6.424 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.508 4.126 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.705 5.929 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.919 6.031 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.795 7.137 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.356 4.967 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.378 6.131 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.657 4.384 -2.545 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.522 3.837 1.191 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.431 3.371 2.212 1.00 0.00 C ATOM 1257 C GLU A 80 -1.033 3.877 3.594 1.00 0.00 C ATOM 1258 O GLU A 80 -1.848 4.467 4.304 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.491 1.854 2.214 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.057 1.240 0.944 1.00 0.00 C ATOM 1261 CD GLU A 80 -2.078 -0.256 1.018 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -1.489 -0.934 0.145 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.629 -0.792 2.007 1.00 0.00 O ATOM 0 H GLU A 80 -0.069 3.085 0.671 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.418 3.771 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.486 1.464 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.097 1.529 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.068 1.611 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.459 1.554 0.089 1.00 0.00 H new ATOM 1270 N GLN A 81 0.224 3.691 3.954 1.00 0.00 N ATOM 1271 CA GLN A 81 0.695 4.076 5.273 1.00 0.00 C ATOM 1272 C GLN A 81 0.790 5.599 5.424 1.00 0.00 C ATOM 1273 O GLN A 81 0.565 6.141 6.506 1.00 0.00 O ATOM 1274 CB GLN A 81 2.033 3.390 5.613 1.00 0.00 C ATOM 1275 CG GLN A 81 3.203 3.781 4.725 1.00 0.00 C ATOM 1276 CD GLN A 81 4.434 2.945 4.981 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.273 3.267 5.812 1.00 0.00 O ATOM 1278 NE2 GLN A 81 4.547 1.865 4.269 1.00 0.00 N ATOM 0 H GLN A 81 0.936 3.276 3.353 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.046 3.730 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.289 3.621 6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.896 2.310 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.911 3.679 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.442 4.832 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.828 1.627 3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.354 1.254 4.393 1.00 0.00 H new ATOM 1287 N ALA A 82 1.085 6.289 4.344 1.00 0.00 N ATOM 1288 CA ALA A 82 1.223 7.733 4.392 1.00 0.00 C ATOM 1289 C ALA A 82 -0.136 8.417 4.450 1.00 0.00 C ATOM 1290 O ALA A 82 -0.314 9.406 5.165 1.00 0.00 O ATOM 1291 CB ALA A 82 2.028 8.241 3.209 1.00 0.00 C ATOM 0 H ALA A 82 1.234 5.877 3.423 1.00 0.00 H new ATOM 0 HA ALA A 82 1.763 7.982 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.117 9.326 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.022 7.794 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.524 7.969 2.282 1.00 0.00 H new ATOM 1297 N GLN A 83 -1.099 7.884 3.726 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.412 8.478 3.712 1.00 0.00 C ATOM 1299 C GLN A 83 -3.122 8.215 5.020 1.00 0.00 C ATOM 1300 O GLN A 83 -3.851 9.074 5.508 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.263 8.007 2.517 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.620 6.525 2.519 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.389 6.112 1.291 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.226 6.686 0.219 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -5.204 5.105 1.419 1.00 0.00 N ATOM 0 H GLN A 83 -0.996 7.050 3.147 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.278 9.553 3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.186 8.587 2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.725 8.234 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.706 5.935 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.211 6.299 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.315 4.651 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.731 4.770 0.613 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.871 7.049 5.617 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.533 6.696 6.847 1.00 0.00 C ATOM 1316 C LYS A 84 -3.017 7.544 7.987 1.00 0.00 C ATOM 1317 O LYS A 84 -3.789 8.004 8.812 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.460 5.155 7.144 1.00 0.00 C ATOM 1319 CG LYS A 84 -2.074 4.566 7.445 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.589 4.784 8.884 1.00 0.00 C ATOM 1321 CE LYS A 84 -2.236 3.850 9.919 1.00 0.00 C ATOM 1322 NZ LYS A 84 -3.672 4.121 10.181 1.00 0.00 N ATOM 0 H LYS A 84 -2.219 6.348 5.264 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.595 6.915 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.109 4.943 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.874 4.625 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.096 3.496 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.349 5.007 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.508 4.648 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.788 5.817 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.130 2.821 9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.687 3.932 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.886 3.922 11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.880 5.119 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.257 3.513 9.573 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.711 7.817 7.979 1.00 0.00 N ATOM 1337 CA GLN A 85 -1.087 8.546 9.064 1.00 0.00 C ATOM 1338 C GLN A 85 -1.560 9.992 9.097 1.00 0.00 C ATOM 1339 O GLN A 85 -1.800 10.551 10.161 1.00 0.00 O ATOM 1340 CB GLN A 85 0.445 8.449 9.014 1.00 0.00 C ATOM 1341 CG GLN A 85 1.121 9.193 7.885 1.00 0.00 C ATOM 1342 CD GLN A 85 2.624 9.288 8.060 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.203 8.357 8.766 1.00 0.00 O flip ATOM 1344 NE2 GLN A 85 3.254 10.220 7.584 1.00 0.00 N flip ATOM 0 H GLN A 85 -1.074 7.542 7.232 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.401 8.075 9.996 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.844 8.821 9.958 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.720 7.397 8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.901 8.692 6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.704 10.198 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.773 10.933 7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.261 10.285 7.735 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.738 10.577 7.931 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.221 11.932 7.865 1.00 0.00 C ATOM 1355 C LEU A 86 -3.716 12.014 8.130 1.00 0.00 C ATOM 1356 O LEU A 86 -4.184 12.958 8.781 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.793 12.634 6.560 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.532 13.507 6.656 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.772 14.677 7.590 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.658 12.710 7.138 1.00 0.00 C ATOM 0 H LEU A 86 -1.557 10.138 7.028 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.744 12.489 8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.629 11.873 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.619 13.257 6.216 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.312 13.879 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.130 15.287 7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.595 15.282 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.023 14.304 8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.532 13.359 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.446 12.301 8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.856 11.894 6.442 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.450 10.989 7.705 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.898 10.930 7.897 1.00 0.00 C ATOM 1374 C GLN A 87 -6.239 10.851 9.389 1.00 0.00 C ATOM 1375 O GLN A 87 -7.205 11.459 9.858 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.482 9.727 7.158 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.999 9.667 7.161 1.00 0.00 C ATOM 1378 CD GLN A 87 -8.557 8.497 6.363 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.866 7.389 6.358 1.00 0.00 O flip ATOM 1380 NE2 GLN A 87 -9.637 8.594 5.781 1.00 0.00 N flip ATOM 0 H GLN A 87 -4.062 10.180 7.220 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.338 11.840 7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.133 9.745 6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.093 8.814 7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.351 9.596 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.393 10.597 6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.152 9.474 5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.017 7.794 5.275 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.428 10.129 10.132 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.627 9.992 11.577 1.00 0.00 C ATOM 1391 C GLN A 88 -4.874 11.078 12.320 1.00 0.00 C ATOM 1392 O GLN A 88 -4.879 11.143 13.557 1.00 0.00 O ATOM 1393 CB GLN A 88 -5.174 8.624 12.063 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.702 8.328 11.836 1.00 0.00 C ATOM 1395 CD GLN A 88 -3.273 6.975 12.359 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.381 6.340 11.802 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -3.863 6.535 13.435 1.00 0.00 N ATOM 0 H GLN A 88 -4.621 9.623 9.768 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.693 10.095 11.779 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.387 8.543 13.129 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.767 7.860 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.489 8.381 10.768 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.105 9.102 12.319 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.600 7.086 13.874 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.587 5.640 13.838 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.223 11.901 11.569 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.469 12.973 12.118 1.00 0.00 C ATOM 1408 C GLY A 89 -4.220 14.275 12.059 1.00 0.00 C ATOM 1409 O GLY A 89 -5.125 14.521 12.861 1.00 0.00 O ATOM 0 H GLY A 89 -4.200 11.847 10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.217 12.746 13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.529 13.071 11.575 1.00 0.00 H new ATOM 1413 N GLN A 90 -3.890 15.094 11.088 1.00 0.00 N ATOM 1414 CA GLN A 90 -4.465 16.435 10.994 1.00 0.00 C ATOM 1415 C GLN A 90 -5.263 16.625 9.713 1.00 0.00 C ATOM 1416 O GLN A 90 -5.933 17.636 9.530 1.00 0.00 O ATOM 1417 CB GLN A 90 -3.339 17.463 11.041 1.00 0.00 C ATOM 1418 CG GLN A 90 -2.480 17.366 12.287 1.00 0.00 C ATOM 1419 CD GLN A 90 -1.359 18.385 12.322 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -1.527 19.501 12.823 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -0.209 18.015 11.819 1.00 0.00 N ATOM 0 H GLN A 90 -3.227 14.865 10.347 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.147 16.568 11.834 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -2.706 17.337 10.163 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.769 18.463 10.983 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.111 17.499 13.166 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.054 16.365 12.349 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.106 17.085 11.413 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.584 18.656 11.833 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.217 15.651 8.869 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.803 15.761 7.560 1.00 0.00 C ATOM 1432 C GLY A 91 -4.705 15.648 6.592 1.00 0.00 C ATOM 1433 O GLY A 91 -4.245 14.551 6.326 1.00 0.00 O ATOM 0 H GLY A 91 -4.774 14.752 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.542 14.975 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.321 16.713 7.447 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.266 16.759 6.058 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.080 16.799 5.256 1.00 0.00 C ATOM 1439 C GLY A 92 -3.187 16.189 3.889 1.00 0.00 C ATOM 1440 O GLY A 92 -2.584 16.693 2.987 1.00 0.00 O ATOM 0 H GLY A 92 -4.726 17.662 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.776 17.840 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.282 16.290 5.797 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.958 15.128 3.735 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.103 14.392 2.470 1.00 0.00 C ATOM 1446 C GLN A 93 -4.325 15.317 1.263 1.00 0.00 C ATOM 1447 O GLN A 93 -3.833 15.043 0.176 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.246 13.384 2.556 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.074 12.278 3.578 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.202 11.269 3.490 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.324 11.598 3.110 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -5.935 10.057 3.859 1.00 0.00 N ATOM 0 H GLN A 93 -4.516 14.738 4.494 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.160 13.868 2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.165 13.924 2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.379 12.929 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.120 11.776 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.043 12.707 4.580 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.994 9.814 4.170 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.665 9.345 3.839 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.021 16.414 1.483 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.309 17.379 0.431 1.00 0.00 C ATOM 1463 C GLN A 94 -4.041 18.164 0.021 1.00 0.00 C ATOM 1464 O GLN A 94 -3.777 18.366 -1.162 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.399 18.346 0.893 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.001 19.184 2.096 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.066 20.163 2.541 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -8.314 19.798 2.402 1.00 0.00 O flip ATOM 1469 NE2 GLN A 94 -6.751 21.248 3.040 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.405 16.665 2.394 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.659 16.830 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.657 19.010 0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.297 17.778 1.138 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.762 18.519 2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.091 19.735 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.767 21.500 3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.475 21.892 3.359 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.252 18.564 1.007 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.071 19.360 0.777 1.00 0.00 C ATOM 1480 C GLN A 95 -0.923 18.444 0.384 1.00 0.00 C ATOM 1481 O GLN A 95 -0.279 18.629 -0.643 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.747 20.230 2.030 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.461 19.465 3.301 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.319 20.347 4.517 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -2.297 20.629 5.205 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -0.119 20.782 4.801 1.00 0.00 N ATOM 0 H GLN A 95 -3.419 18.342 1.988 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.239 20.056 -0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.884 20.856 1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.587 20.900 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.265 18.749 3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.544 18.890 3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.670 20.527 4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.028 21.376 5.617 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.774 17.388 1.168 1.00 0.00 N ATOM 1496 CA VAL A 96 0.229 16.346 1.000 1.00 0.00 C ATOM 1497 C VAL A 96 0.085 15.674 -0.357 1.00 0.00 C ATOM 1498 O VAL A 96 1.052 15.131 -0.876 1.00 0.00 O ATOM 1499 CB VAL A 96 0.142 15.289 2.163 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.078 14.123 1.954 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.424 15.938 3.510 1.00 0.00 C ATOM 0 H VAL A 96 -1.376 17.226 1.975 1.00 0.00 H new ATOM 0 HA VAL A 96 1.213 16.813 1.044 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.877 14.903 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.979 13.423 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.827 13.618 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.105 14.485 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.358 15.187 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.425 16.369 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.308 16.724 3.696 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.120 15.762 -0.939 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.436 15.170 -2.247 1.00 0.00 C ATOM 1513 C GLN A 97 -0.340 15.425 -3.286 1.00 0.00 C ATOM 1514 O GLN A 97 0.107 14.498 -3.938 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.760 15.702 -2.782 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.141 15.124 -4.140 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.429 15.692 -4.706 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.363 16.040 -3.859 1.00 0.00 O flip ATOM 1519 NE2 GLN A 97 -4.587 15.792 -5.921 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.908 16.249 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.508 14.095 -2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.550 15.477 -2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.701 16.788 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.331 15.312 -4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.240 14.042 -4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.840 15.513 -6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.465 16.154 -6.293 1.00 0.00 H new ATOM 1528 N GLN A 98 0.141 16.665 -3.373 1.00 0.00 N ATOM 1529 CA GLN A 98 1.133 17.036 -4.388 1.00 0.00 C ATOM 1530 C GLN A 98 2.485 16.359 -4.149 1.00 0.00 C ATOM 1531 O GLN A 98 3.335 16.304 -5.044 1.00 0.00 O ATOM 1532 CB GLN A 98 1.333 18.549 -4.470 1.00 0.00 C ATOM 1533 CG GLN A 98 1.999 19.157 -3.258 1.00 0.00 C ATOM 1534 CD GLN A 98 2.225 20.637 -3.423 1.00 0.00 C ATOM 1535 OE1 GLN A 98 3.260 21.073 -3.936 1.00 0.00 O ATOM 1536 NE2 GLN A 98 1.306 21.415 -2.962 1.00 0.00 N ATOM 0 H GLN A 98 -0.137 17.429 -2.757 1.00 0.00 H new ATOM 0 HA GLN A 98 0.729 16.684 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.932 18.777 -5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.363 19.024 -4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.381 18.980 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.954 18.662 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.464 21.018 -2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.421 22.427 -3.014 1.00 0.00 H new ATOM 1545 N MET A 99 2.695 15.876 -2.953 1.00 0.00 N ATOM 1546 CA MET A 99 3.950 15.277 -2.598 1.00 0.00 C ATOM 1547 C MET A 99 3.804 13.783 -2.614 1.00 0.00 C ATOM 1548 O MET A 99 4.597 13.091 -3.206 1.00 0.00 O ATOM 1549 CB MET A 99 4.363 15.730 -1.223 1.00 0.00 C ATOM 1550 CG MET A 99 5.852 15.727 -0.961 1.00 0.00 C ATOM 1551 SD MET A 99 6.775 16.899 -1.961 1.00 0.00 S ATOM 1552 CE MET A 99 8.408 16.643 -1.275 1.00 0.00 C ATOM 0 H MET A 99 2.004 15.887 -2.203 1.00 0.00 H new ATOM 0 HA MET A 99 4.713 15.580 -3.315 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.985 16.740 -1.062 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.880 15.088 -0.487 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.025 15.949 0.092 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.240 14.725 -1.144 1.00 0.00 H new ATOM 0 HE1 MET A 99 9.121 17.295 -1.780 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.396 16.875 -0.210 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.703 15.603 -1.417 1.00 0.00 H new ATOM 1562 N VAL A 100 2.766 13.295 -1.984 1.00 0.00 N ATOM 1563 CA VAL A 100 2.506 11.860 -1.941 1.00 0.00 C ATOM 1564 C VAL A 100 2.230 11.301 -3.352 1.00 0.00 C ATOM 1565 O VAL A 100 2.454 10.132 -3.621 1.00 0.00 O ATOM 1566 CB VAL A 100 1.366 11.480 -0.941 1.00 0.00 C ATOM 1567 CG1 VAL A 100 0.041 12.080 -1.342 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.248 9.977 -0.789 1.00 0.00 C ATOM 0 H VAL A 100 2.079 13.864 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 100 3.414 11.390 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 100 1.639 11.902 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.723 11.791 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.126 13.166 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.238 11.717 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.447 9.744 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.024 9.530 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.188 9.574 -0.413 1.00 0.00 H new ATOM 1578 N LYS A 101 1.782 12.154 -4.266 1.00 0.00 N ATOM 1579 CA LYS A 101 1.572 11.735 -5.642 1.00 0.00 C ATOM 1580 C LYS A 101 2.889 11.361 -6.322 1.00 0.00 C ATOM 1581 O LYS A 101 2.903 10.619 -7.294 1.00 0.00 O ATOM 1582 CB LYS A 101 0.782 12.785 -6.428 1.00 0.00 C ATOM 1583 CG LYS A 101 1.474 14.118 -6.698 1.00 0.00 C ATOM 1584 CD LYS A 101 2.294 14.114 -7.981 1.00 0.00 C ATOM 1585 CE LYS A 101 2.865 15.489 -8.262 1.00 0.00 C ATOM 1586 NZ LYS A 101 3.557 15.540 -9.558 1.00 0.00 N ATOM 0 H LYS A 101 1.559 13.132 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 101 0.964 10.830 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.502 12.349 -7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.143 12.987 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.723 14.906 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.125 14.360 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.104 13.390 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.669 13.798 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.061 16.225 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.560 15.763 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.933 16.497 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.340 14.855 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.888 15.304 -10.318 1.00 0.00 H new ATOM 1600 N LYS A 102 3.990 11.857 -5.779 1.00 0.00 N ATOM 1601 CA LYS A 102 5.312 11.528 -6.268 1.00 0.00 C ATOM 1602 C LYS A 102 5.609 10.056 -5.995 1.00 0.00 C ATOM 1603 O LYS A 102 6.335 9.414 -6.741 1.00 0.00 O ATOM 1604 CB LYS A 102 6.330 12.417 -5.595 1.00 0.00 C ATOM 1605 CG LYS A 102 6.143 13.899 -5.918 1.00 0.00 C ATOM 1606 CD LYS A 102 6.881 14.786 -4.931 1.00 0.00 C ATOM 1607 CE LYS A 102 8.367 14.519 -4.903 1.00 0.00 C ATOM 1608 NZ LYS A 102 9.026 14.896 -6.168 1.00 0.00 N ATOM 0 H LYS A 102 3.988 12.499 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 102 5.362 11.694 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.268 12.277 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.330 12.109 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.503 14.100 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.081 14.143 -5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.709 15.831 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.470 14.632 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.819 15.074 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.540 13.461 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.053 14.759 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.663 14.301 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.827 15.895 -6.379 1.00 0.00 H new ATOM 1622 N ALA A 103 4.986 9.517 -4.942 1.00 0.00 N ATOM 1623 CA ALA A 103 5.104 8.091 -4.616 1.00 0.00 C ATOM 1624 C ALA A 103 4.520 7.255 -5.743 1.00 0.00 C ATOM 1625 O ALA A 103 5.007 6.195 -6.064 1.00 0.00 O ATOM 1626 CB ALA A 103 4.395 7.751 -3.309 1.00 0.00 C ATOM 0 H ALA A 103 4.395 10.046 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 103 6.163 7.865 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.505 6.687 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.836 8.326 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.337 7.997 -3.395 1.00 0.00 H new ATOM 1632 N GLN A 104 3.515 7.794 -6.390 1.00 0.00 N ATOM 1633 CA GLN A 104 2.836 7.114 -7.473 1.00 0.00 C ATOM 1634 C GLN A 104 3.702 7.117 -8.742 1.00 0.00 C ATOM 1635 O GLN A 104 3.449 6.387 -9.686 1.00 0.00 O ATOM 1636 CB GLN A 104 1.457 7.735 -7.722 1.00 0.00 C ATOM 1637 CG GLN A 104 0.555 7.706 -6.488 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.845 8.216 -6.757 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.049 9.494 -6.600 1.00 0.00 O flip ATOM 1640 NE2 GLN A 104 -1.744 7.446 -7.117 1.00 0.00 N flip ATOM 0 H GLN A 104 3.142 8.720 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 104 2.678 6.074 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.583 8.767 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.966 7.201 -8.536 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.496 6.684 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.009 8.308 -5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.549 6.451 -7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.680 7.806 -7.301 1.00 0.00 H new ATOM 1649 N MET A 105 4.709 7.961 -8.755 1.00 0.00 N ATOM 1650 CA MET A 105 5.615 8.076 -9.898 1.00 0.00 C ATOM 1651 C MET A 105 6.776 7.128 -9.727 1.00 0.00 C ATOM 1652 O MET A 105 7.464 6.796 -10.690 1.00 0.00 O ATOM 1653 CB MET A 105 6.192 9.463 -9.975 1.00 0.00 C ATOM 1654 CG MET A 105 5.159 10.565 -9.933 1.00 0.00 C ATOM 1655 SD MET A 105 5.884 12.224 -10.018 1.00 0.00 S ATOM 1656 CE MET A 105 6.767 12.138 -11.583 1.00 0.00 C ATOM 0 H MET A 105 4.931 8.589 -7.982 1.00 0.00 H new ATOM 0 HA MET A 105 5.045 7.846 -10.798 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.889 9.601 -9.148 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.768 9.555 -10.896 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.465 10.436 -10.763 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.578 10.476 -9.015 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.698 13.099 -12.093 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.815 11.901 -11.397 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.325 11.362 -12.208 1.00 0.00 H new ATOM 1666 N LEU A 106 6.976 6.685 -8.496 1.00 0.00 N ATOM 1667 CA LEU A 106 8.100 5.820 -8.125 1.00 0.00 C ATOM 1668 C LEU A 106 8.251 4.601 -9.043 1.00 0.00 C ATOM 1669 O LEU A 106 9.337 4.378 -9.562 1.00 0.00 O ATOM 1670 CB LEU A 106 8.026 5.385 -6.663 1.00 0.00 C ATOM 1671 CG LEU A 106 8.142 6.481 -5.608 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.966 5.900 -4.220 1.00 0.00 C ATOM 1673 CD2 LEU A 106 9.466 7.207 -5.707 1.00 0.00 C ATOM 0 H LEU A 106 6.361 6.914 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 106 8.993 6.430 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.079 4.867 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.819 4.658 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 106 7.348 7.204 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.052 6.695 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.983 5.436 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.737 5.151 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.515 7.981 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.281 6.499 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.557 7.665 -6.692 1.00 0.00 H new ATOM 1685 N PRO A 107 7.178 3.799 -9.291 1.00 0.00 N ATOM 1686 CA PRO A 107 7.268 2.655 -10.187 1.00 0.00 C ATOM 1687 C PRO A 107 7.649 3.038 -11.612 1.00 0.00 C ATOM 1688 O PRO A 107 8.258 2.244 -12.323 1.00 0.00 O ATOM 1689 CB PRO A 107 5.879 2.013 -10.139 1.00 0.00 C ATOM 1690 CG PRO A 107 4.991 3.065 -9.596 1.00 0.00 C ATOM 1691 CD PRO A 107 5.832 3.894 -8.690 1.00 0.00 C ATOM 0 HA PRO A 107 8.059 1.975 -9.870 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.556 1.696 -11.131 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.875 1.127 -9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.570 3.671 -10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.153 2.626 -9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.482 4.926 -8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.820 3.512 -7.669 1.00 0.00 H new ATOM 1699 N ASN A 108 7.363 4.263 -11.999 1.00 0.00 N ATOM 1700 CA ASN A 108 7.638 4.698 -13.316 1.00 0.00 C ATOM 1701 C ASN A 108 9.081 5.164 -13.414 1.00 0.00 C ATOM 1702 O ASN A 108 9.785 4.848 -14.363 1.00 0.00 O ATOM 1703 CB ASN A 108 6.692 5.832 -13.679 1.00 0.00 C ATOM 1704 CG ASN A 108 5.220 5.432 -13.709 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.864 4.278 -13.968 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.360 6.373 -13.467 1.00 0.00 N ATOM 0 H ASN A 108 6.936 4.968 -11.399 1.00 0.00 H new ATOM 0 HA ASN A 108 7.490 3.873 -14.012 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.822 6.643 -12.962 1.00 0.00 H new ATOM 0 HB3 ASN A 108 6.971 6.224 -14.657 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.361 6.169 -13.488 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.683 7.317 -13.256 1.00 0.00 H new ATOM 1713 N GLN A 109 9.530 5.867 -12.396 1.00 0.00 N ATOM 1714 CA GLN A 109 10.870 6.439 -12.386 1.00 0.00 C ATOM 1715 C GLN A 109 11.934 5.407 -12.009 1.00 0.00 C ATOM 1716 O GLN A 109 13.019 5.395 -12.568 1.00 0.00 O ATOM 1717 CB GLN A 109 10.929 7.643 -11.438 1.00 0.00 C ATOM 1718 CG GLN A 109 9.935 8.752 -11.780 1.00 0.00 C ATOM 1719 CD GLN A 109 10.080 9.256 -13.205 1.00 0.00 C ATOM 1720 OE1 GLN A 109 9.440 8.751 -14.129 1.00 0.00 O ATOM 1721 NE2 GLN A 109 10.911 10.239 -13.392 1.00 0.00 N ATOM 0 H GLN A 109 8.985 6.060 -11.556 1.00 0.00 H new ATOM 0 HA GLN A 109 11.089 6.773 -13.400 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.740 7.301 -10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.938 8.056 -11.454 1.00 0.00 H new ATOM 0 HG2 GLN A 109 8.920 8.382 -11.632 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.075 9.584 -11.090 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.423 10.631 -12.602 1.00 0.00 H new ATOM 0 HE22 GLN A 109 11.050 10.618 -14.329 1.00 0.00 H new ATOM 1730 N CYS A 110 11.602 4.526 -11.088 1.00 0.00 N ATOM 1731 CA CYS A 110 12.543 3.505 -10.607 1.00 0.00 C ATOM 1732 C CYS A 110 12.520 2.297 -11.549 1.00 0.00 C ATOM 1733 O CYS A 110 13.330 1.374 -11.425 1.00 0.00 O ATOM 1734 CB CYS A 110 12.140 3.087 -9.177 1.00 0.00 C ATOM 1735 SG CYS A 110 13.336 2.046 -8.243 1.00 0.00 S ATOM 0 H CYS A 110 10.683 4.487 -10.647 1.00 0.00 H new ATOM 0 HA CYS A 110 13.556 3.908 -10.590 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.955 3.992 -8.599 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.195 2.547 -9.235 1.00 0.00 H new ATOM 1740 N ASN A 111 11.596 2.347 -12.508 1.00 0.00 N ATOM 1741 CA ASN A 111 11.358 1.282 -13.479 1.00 0.00 C ATOM 1742 C ASN A 111 11.031 -0.020 -12.779 1.00 0.00 C ATOM 1743 O ASN A 111 11.815 -0.965 -12.723 1.00 0.00 O ATOM 1744 CB ASN A 111 12.483 1.143 -14.524 1.00 0.00 C ATOM 1745 CG ASN A 111 12.182 0.094 -15.592 1.00 0.00 C ATOM 1746 OD1 ASN A 111 12.594 -1.060 -15.499 1.00 0.00 O ATOM 1747 ND2 ASN A 111 11.459 0.483 -16.602 1.00 0.00 N ATOM 0 H ASN A 111 10.978 3.149 -12.633 1.00 0.00 H new ATOM 0 HA ASN A 111 10.482 1.568 -14.061 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.644 2.107 -15.006 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.411 0.881 -14.017 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.221 -0.177 -17.343 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.131 1.447 -16.653 1.00 0.00 H new ATOM 1754 N LEU A 112 9.925 0.020 -12.121 1.00 0.00 N ATOM 1755 CA LEU A 112 9.400 -1.113 -11.404 1.00 0.00 C ATOM 1756 C LEU A 112 8.441 -1.864 -12.290 1.00 0.00 C ATOM 1757 O LEU A 112 7.934 -1.302 -13.253 1.00 0.00 O ATOM 1758 CB LEU A 112 8.737 -0.657 -10.105 1.00 0.00 C ATOM 1759 CG LEU A 112 9.636 0.214 -9.227 1.00 0.00 C ATOM 1760 CD1 LEU A 112 8.995 0.545 -7.895 1.00 0.00 C ATOM 1761 CD2 LEU A 112 10.968 -0.446 -9.031 1.00 0.00 C ATOM 0 H LEU A 112 9.340 0.854 -12.059 1.00 0.00 H new ATOM 0 HA LEU A 112 10.212 -1.788 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.831 -0.101 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.430 -1.535 -9.537 1.00 0.00 H new ATOM 0 HG LEU A 112 9.783 1.160 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.673 1.165 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.064 1.086 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.786 -0.377 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.598 0.185 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.827 -1.413 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.448 -0.591 -9.999 1.00 0.00 H new ATOM 1773 N GLN A 113 8.189 -3.125 -11.976 1.00 0.00 N ATOM 1774 CA GLN A 113 7.356 -4.019 -12.824 1.00 0.00 C ATOM 1775 C GLN A 113 5.851 -3.709 -12.690 1.00 0.00 C ATOM 1776 O GLN A 113 4.997 -4.589 -12.805 1.00 0.00 O ATOM 1777 CB GLN A 113 7.621 -5.484 -12.462 1.00 0.00 C ATOM 1778 CG GLN A 113 9.086 -5.815 -12.193 1.00 0.00 C ATOM 1779 CD GLN A 113 10.051 -5.489 -13.329 1.00 0.00 C ATOM 1780 OE1 GLN A 113 11.208 -5.160 -13.080 1.00 0.00 O ATOM 1781 NE2 GLN A 113 9.611 -5.607 -14.553 1.00 0.00 N ATOM 0 H GLN A 113 8.546 -3.574 -11.133 1.00 0.00 H new ATOM 0 HA GLN A 113 7.638 -3.840 -13.862 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.036 -5.738 -11.578 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.262 -6.116 -13.274 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.405 -5.274 -11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.165 -6.878 -11.966 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.644 -5.882 -14.723 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.235 -5.424 -15.339 1.00 0.00 H new ATOM 1790 N CYS A 114 5.562 -2.466 -12.542 1.00 0.00 N ATOM 1791 CA CYS A 114 4.256 -1.940 -12.338 1.00 0.00 C ATOM 1792 C CYS A 114 4.294 -0.516 -12.859 1.00 0.00 C ATOM 1793 O CYS A 114 5.346 0.120 -12.796 1.00 0.00 O ATOM 1794 CB CYS A 114 3.962 -1.928 -10.848 1.00 0.00 C ATOM 1795 SG CYS A 114 3.691 -3.556 -10.036 1.00 0.00 S ATOM 0 H CYS A 114 6.278 -1.740 -12.561 1.00 0.00 H new ATOM 0 HA CYS A 114 3.490 -2.529 -12.843 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.791 -1.432 -10.343 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.076 -1.316 -10.683 1.00 0.00 H new ATOM 1800 N SER A 115 3.210 -0.021 -13.357 1.00 0.00 N ATOM 1801 CA SER A 115 3.191 1.294 -13.932 1.00 0.00 C ATOM 1802 C SER A 115 1.962 2.044 -13.477 1.00 0.00 C ATOM 1803 O SER A 115 0.861 1.491 -13.497 1.00 0.00 O ATOM 1804 CB SER A 115 3.222 1.169 -15.453 1.00 0.00 C ATOM 1805 OG SER A 115 2.203 0.272 -15.912 1.00 0.00 O ATOM 0 H SER A 115 2.314 -0.509 -13.380 1.00 0.00 H new ATOM 0 HA SER A 115 4.065 1.856 -13.602 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.080 2.150 -15.906 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.200 0.809 -15.773 1.00 0.00 H new ATOM 0 HG SER A 115 1.430 0.321 -15.312 1.00 0.00 H new ATOM 1811 N ILE A 116 2.142 3.265 -13.043 1.00 0.00 N ATOM 1812 CA ILE A 116 1.035 4.077 -12.611 1.00 0.00 C ATOM 1813 C ILE A 116 0.897 5.216 -13.600 1.00 0.00 C ATOM 1814 O ILE A 116 0.068 5.132 -14.518 1.00 0.00 O ATOM 1815 CB ILE A 116 1.259 4.673 -11.196 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.701 3.600 -10.184 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.006 5.377 -10.704 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.702 2.509 -9.897 1.00 0.00 C ATOM 1819 OXT ILE A 116 1.679 6.181 -13.507 1.00 0.00 O ATOM 0 H ILE A 116 3.052 3.721 -12.979 1.00 0.00 H new ATOM 0 HA ILE A 116 0.141 3.455 -12.566 1.00 0.00 H new ATOM 0 HB ILE A 116 2.064 5.403 -11.275 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.617 3.138 -10.552 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.948 4.095 -9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.170 5.789 -9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.264 6.183 -11.390 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -0.827 4.661 -10.660 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.122 1.812 -9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.210 2.948 -9.492 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.470 1.976 -10.819 1.00 0.00 H new