USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 665 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 43 ASN : amide:sc= 0.533 K(o=-0.043,f=-1.3) USER MOD Set 1.2: A 46 GLN : amide:sc= -0.576 X(o=-0.043,f=-0.065) USER MOD Single : A 6 SER OG : rot -120:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.451 K(o=0.45,f=-0.16) USER MOD Single : A 13 HIS : no HD1:sc=-0.00577 X(o=-0.0058,f=-0.066) USER MOD Single : A 18 THR OG1 : rot -44:sc= 0.584 USER MOD Single : A 19 SER OG : rot 70:sc= 1.25 USER MOD Single : A 20 MET CE :methyl 166:sc= -0.0438 (180deg=-0.365) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc=-0.00252 USER MOD Single : A 30 MET CE :methyl 170:sc= -4.35! (180deg=-4.83!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0991 F(o=-1.1!,f=-0.099) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= -0.0314 (180deg=-0.244) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.735 F(o=-2.4!,f=-0.73) USER MOD Single : A 49 SER OG : rot -76:sc= 0.87 USER MOD Single : A 51 CYS SG : rot 3:sc= -1.82! USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.109) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.241 F(o=-0.89,f=-0.24) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 165:sc= -1.9! USER MOD Single : A 66 SER OG : rot 166:sc= -3.86! USER MOD Single : A 68 SER OG : rot 180:sc= 0.00674 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : A 75 SER OG : rot -90:sc= -1.64! USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0198 F(o=-1.2,f=-0.02) USER MOD Single : A 78 LYS NZ :NH3+ -112:sc= 0.654 (180deg=-0.199) USER MOD Single : A 80 LYS NZ :NH3+ -135:sc= 1.24 (180deg=0.665) USER MOD Single : A 81 MET CE :methyl -157:sc= -0.253 (180deg=-1.05) USER MOD Single : A 82 MET CE :methyl -170:sc= 0 (180deg=-0.0927) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 17.911 4.910 4.694 1.00 0.00 N ATOM 2 CA ILE A 5 16.999 5.132 5.810 1.00 0.00 C ATOM 3 C ILE A 5 15.566 4.996 5.305 1.00 0.00 C ATOM 4 O ILE A 5 14.630 4.764 6.071 1.00 0.00 O ATOM 5 CB ILE A 5 17.220 6.519 6.462 1.00 0.00 C ATOM 6 CG1 ILE A 5 16.359 6.671 7.720 1.00 0.00 C ATOM 7 CG2 ILE A 5 16.929 7.640 5.472 1.00 0.00 C ATOM 8 CD1 ILE A 5 16.582 7.973 8.456 1.00 0.00 C ATOM 0 HA ILE A 5 17.194 4.386 6.580 1.00 0.00 H new ATOM 0 HB ILE A 5 18.268 6.590 6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 5 15.308 6.597 7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 5 16.569 5.842 8.395 1.00 0.00 H new ATOM 0 HG21 ILE A 5 17.092 8.603 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 5 17.593 7.548 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.893 7.572 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.938 8.009 9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.625 8.041 8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.344 8.808 7.798 1.00 0.00 H new ATOM 20 N SER A 6 15.429 5.111 3.993 1.00 0.00 N ATOM 21 CA SER A 6 14.169 4.896 3.318 1.00 0.00 C ATOM 22 C SER A 6 14.446 4.359 1.917 1.00 0.00 C ATOM 23 O SER A 6 15.599 4.060 1.588 1.00 0.00 O ATOM 24 CB SER A 6 13.348 6.194 3.263 1.00 0.00 C ATOM 25 OG SER A 6 14.086 7.258 2.686 1.00 0.00 O ATOM 0 H SER A 6 16.196 5.358 3.368 1.00 0.00 H new ATOM 0 HA SER A 6 13.579 4.166 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.440 6.026 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.038 6.471 4.270 1.00 0.00 H new ATOM 0 HG SER A 6 14.166 7.989 3.333 1.00 0.00 H new ATOM 31 N SER A 7 13.396 4.230 1.118 1.00 0.00 N ATOM 32 CA SER A 7 13.496 3.758 -0.256 1.00 0.00 C ATOM 33 C SER A 7 13.838 2.265 -0.320 1.00 0.00 C ATOM 34 O SER A 7 13.741 1.550 0.679 1.00 0.00 O ATOM 35 CB SER A 7 14.525 4.591 -1.039 1.00 0.00 C ATOM 36 OG SER A 7 14.182 5.970 -1.032 1.00 0.00 O ATOM 0 H SER A 7 12.443 4.452 1.407 1.00 0.00 H new ATOM 0 HA SER A 7 12.519 3.886 -0.722 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.514 4.457 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.581 4.233 -2.067 1.00 0.00 H new ATOM 0 HG SER A 7 14.853 6.477 -1.535 1.00 0.00 H new ATOM 42 N GLN A 8 14.153 1.815 -1.528 1.00 0.00 N ATOM 43 CA GLN A 8 14.594 0.444 -1.818 1.00 0.00 C ATOM 44 C GLN A 8 15.477 -0.158 -0.723 1.00 0.00 C ATOM 45 O GLN A 8 16.578 0.335 -0.450 1.00 0.00 O ATOM 46 CB GLN A 8 15.393 0.430 -3.121 1.00 0.00 C ATOM 47 CG GLN A 8 14.641 0.957 -4.331 1.00 0.00 C ATOM 48 CD GLN A 8 13.833 -0.118 -5.027 1.00 0.00 C ATOM 49 OE1 GLN A 8 14.331 -0.798 -5.923 1.00 0.00 O ATOM 50 NE2 GLN A 8 12.583 -0.273 -4.640 1.00 0.00 N ATOM 0 H GLN A 8 14.110 2.404 -2.360 1.00 0.00 H new ATOM 0 HA GLN A 8 13.688 -0.157 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.296 1.025 -2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.712 -0.592 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.975 1.762 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.351 1.387 -5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.204 0.310 -3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.994 -0.976 -5.087 1.00 0.00 H new ATOM 59 N LEU A 9 14.988 -1.230 -0.114 1.00 0.00 N ATOM 60 CA LEU A 9 15.786 -2.040 0.794 1.00 0.00 C ATOM 61 C LEU A 9 15.844 -3.473 0.283 1.00 0.00 C ATOM 62 O LEU A 9 14.833 -4.009 -0.167 1.00 0.00 O ATOM 63 CB LEU A 9 15.193 -2.035 2.206 1.00 0.00 C ATOM 64 CG LEU A 9 16.022 -1.304 3.269 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.408 -1.922 3.386 1.00 0.00 C ATOM 66 CD2 LEU A 9 16.125 0.180 2.947 1.00 0.00 C ATOM 0 H LEU A 9 14.031 -1.561 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 9 16.788 -1.614 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.204 -1.578 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 9 15.054 -3.068 2.526 1.00 0.00 H new ATOM 0 HG LEU A 9 15.515 -1.411 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.981 -1.390 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.316 -2.970 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.921 -1.849 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.717 0.679 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.605 0.309 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.127 0.616 2.919 1.00 0.00 H new ATOM 78 N GLY A 10 17.016 -4.087 0.338 1.00 0.00 N ATOM 79 CA GLY A 10 17.136 -5.480 -0.063 1.00 0.00 C ATOM 80 C GLY A 10 18.068 -6.274 0.838 1.00 0.00 C ATOM 81 O GLY A 10 19.174 -6.623 0.427 1.00 0.00 O ATOM 0 H GLY A 10 17.884 -3.652 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.149 -5.942 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.502 -5.528 -1.089 1.00 0.00 H new ATOM 85 N PRO A 11 17.653 -6.569 2.083 1.00 0.00 N ATOM 86 CA PRO A 11 18.473 -7.312 3.040 1.00 0.00 C ATOM 87 C PRO A 11 18.410 -8.825 2.826 1.00 0.00 C ATOM 88 O PRO A 11 19.407 -9.529 2.985 1.00 0.00 O ATOM 89 CB PRO A 11 17.863 -6.946 4.404 1.00 0.00 C ATOM 90 CG PRO A 11 16.725 -6.014 4.122 1.00 0.00 C ATOM 91 CD PRO A 11 16.371 -6.189 2.674 1.00 0.00 C ATOM 0 HA PRO A 11 19.528 -7.055 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.515 -7.838 4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.604 -6.470 5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.871 -6.243 4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.010 -4.982 4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.613 -6.959 2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.978 -5.271 2.238 1.00 0.00 H new ATOM 99 N ILE A 12 17.228 -9.319 2.477 1.00 0.00 N ATOM 100 CA ILE A 12 17.009 -10.752 2.307 1.00 0.00 C ATOM 101 C ILE A 12 16.709 -11.047 0.837 1.00 0.00 C ATOM 102 O ILE A 12 16.159 -10.201 0.134 1.00 0.00 O ATOM 103 CB ILE A 12 15.830 -11.239 3.185 1.00 0.00 C ATOM 104 CG1 ILE A 12 15.866 -10.577 4.569 1.00 0.00 C ATOM 105 CG2 ILE A 12 15.875 -12.749 3.341 1.00 0.00 C ATOM 106 CD1 ILE A 12 17.064 -10.967 5.411 1.00 0.00 C ATOM 0 H ILE A 12 16.402 -8.746 2.305 1.00 0.00 H new ATOM 0 HA ILE A 12 17.910 -11.281 2.617 1.00 0.00 H new ATOM 0 HB ILE A 12 14.903 -10.956 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.862 -9.494 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.956 -10.838 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 12 15.040 -13.076 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 12 15.804 -13.218 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 12 16.813 -13.038 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 12 17.014 -10.457 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 12 17.060 -12.045 5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.980 -10.680 4.895 1.00 0.00 H new ATOM 118 N HIS A 13 17.092 -12.233 0.369 1.00 0.00 N ATOM 119 CA HIS A 13 16.933 -12.588 -1.045 1.00 0.00 C ATOM 120 C HIS A 13 15.586 -13.276 -1.356 1.00 0.00 C ATOM 121 O HIS A 13 15.018 -13.019 -2.419 1.00 0.00 O ATOM 122 CB HIS A 13 18.101 -13.462 -1.514 1.00 0.00 C ATOM 123 CG HIS A 13 18.132 -13.690 -2.997 1.00 0.00 C ATOM 124 ND1 HIS A 13 17.765 -12.727 -3.914 1.00 0.00 N ATOM 125 CD2 HIS A 13 18.481 -14.779 -3.720 1.00 0.00 C ATOM 126 CE1 HIS A 13 17.896 -13.211 -5.133 1.00 0.00 C ATOM 127 NE2 HIS A 13 18.325 -14.453 -5.044 1.00 0.00 N ATOM 0 H HIS A 13 17.513 -12.964 0.943 1.00 0.00 H new ATOM 0 HA HIS A 13 16.935 -11.649 -1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.037 -12.995 -1.208 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.046 -14.426 -1.009 1.00 0.00 H new ATOM 0 HD2 HIS A 13 18.819 -15.727 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.687 -12.679 -6.049 1.00 0.00 H new ATOM 0 HE2 HIS A 13 18.511 -15.073 -5.832 1.00 0.00 H new ATOM 136 N PRO A 14 15.100 -14.216 -0.498 1.00 0.00 N ATOM 137 CA PRO A 14 13.760 -14.819 -0.621 1.00 0.00 C ATOM 138 C PRO A 14 12.644 -13.821 -0.983 1.00 0.00 C ATOM 139 O PRO A 14 12.865 -12.615 -0.973 1.00 0.00 O ATOM 140 CB PRO A 14 13.490 -15.383 0.777 1.00 0.00 C ATOM 141 CG PRO A 14 14.803 -15.468 1.475 1.00 0.00 C ATOM 142 CD PRO A 14 15.851 -14.850 0.589 1.00 0.00 C ATOM 0 HA PRO A 14 13.752 -15.550 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.803 -14.739 1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.024 -16.366 0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.759 -14.947 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.052 -16.507 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.449 -14.120 1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.539 -15.604 0.206 1.00 0.00 H new ATOM 150 N PRO A 15 11.424 -14.331 -1.290 1.00 0.00 N ATOM 151 CA PRO A 15 10.246 -13.517 -1.639 1.00 0.00 C ATOM 152 C PRO A 15 10.155 -12.166 -0.909 1.00 0.00 C ATOM 153 O PRO A 15 10.596 -12.024 0.236 1.00 0.00 O ATOM 154 CB PRO A 15 9.101 -14.429 -1.216 1.00 0.00 C ATOM 155 CG PRO A 15 9.596 -15.801 -1.522 1.00 0.00 C ATOM 156 CD PRO A 15 11.095 -15.771 -1.342 1.00 0.00 C ATOM 0 HA PRO A 15 10.258 -13.227 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.872 -14.315 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.188 -14.203 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.141 -16.534 -0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.334 -16.089 -2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.397 -16.282 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.605 -16.267 -2.168 1.00 0.00 H new ATOM 164 N PRO A 16 9.537 -11.165 -1.567 1.00 0.00 N ATOM 165 CA PRO A 16 9.474 -9.766 -1.087 1.00 0.00 C ATOM 166 C PRO A 16 8.661 -9.560 0.193 1.00 0.00 C ATOM 167 O PRO A 16 8.128 -8.477 0.422 1.00 0.00 O ATOM 168 CB PRO A 16 8.798 -9.031 -2.248 1.00 0.00 C ATOM 169 CG PRO A 16 8.004 -10.078 -2.929 1.00 0.00 C ATOM 170 CD PRO A 16 8.848 -11.316 -2.860 1.00 0.00 C ATOM 0 HA PRO A 16 10.471 -9.412 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.164 -8.220 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.533 -8.588 -2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.044 -10.228 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.792 -9.803 -3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.242 -12.222 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.552 -11.373 -3.690 1.00 0.00 H new ATOM 178 N ARG A 17 8.575 -10.586 1.026 1.00 0.00 N ATOM 179 CA ARG A 17 7.924 -10.467 2.322 1.00 0.00 C ATOM 180 C ARG A 17 8.915 -9.920 3.334 1.00 0.00 C ATOM 181 O ARG A 17 8.560 -9.586 4.462 1.00 0.00 O ATOM 182 CB ARG A 17 7.358 -11.817 2.781 1.00 0.00 C ATOM 183 CG ARG A 17 8.346 -12.972 2.691 1.00 0.00 C ATOM 184 CD ARG A 17 7.736 -14.283 3.175 1.00 0.00 C ATOM 185 NE ARG A 17 6.545 -14.665 2.415 1.00 0.00 N ATOM 186 CZ ARG A 17 6.136 -15.923 2.254 1.00 0.00 C ATOM 187 NH1 ARG A 17 6.835 -16.933 2.752 1.00 0.00 N ATOM 188 NH2 ARG A 17 5.022 -16.169 1.585 1.00 0.00 N ATOM 0 H ARG A 17 8.949 -11.514 0.827 1.00 0.00 H new ATOM 0 HA ARG A 17 7.085 -9.777 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.018 -11.724 3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.482 -12.055 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.678 -13.086 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.229 -12.741 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.480 -15.076 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.475 -14.191 4.229 1.00 0.00 H new ATOM 0 HE ARG A 17 5.995 -13.923 1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.697 -16.752 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.511 -17.891 2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.480 -15.398 1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.705 -17.130 1.459 1.00 0.00 H new ATOM 202 N THR A 18 10.165 -9.829 2.904 1.00 0.00 N ATOM 203 CA THR A 18 11.210 -9.218 3.701 1.00 0.00 C ATOM 204 C THR A 18 12.426 -8.908 2.822 1.00 0.00 C ATOM 205 O THR A 18 13.502 -8.574 3.314 1.00 0.00 O ATOM 206 CB THR A 18 11.605 -10.136 4.883 1.00 0.00 C ATOM 207 OG1 THR A 18 12.530 -9.474 5.755 1.00 0.00 O ATOM 208 CG2 THR A 18 12.209 -11.442 4.381 1.00 0.00 C ATOM 0 H THR A 18 10.479 -10.176 1.997 1.00 0.00 H new ATOM 0 HA THR A 18 10.833 -8.283 4.115 1.00 0.00 H new ATOM 0 HB THR A 18 10.698 -10.364 5.442 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.213 -9.017 5.221 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.478 -12.069 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.481 -11.965 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.101 -11.228 3.792 1.00 0.00 H new ATOM 216 N SER A 19 12.234 -8.997 1.511 1.00 0.00 N ATOM 217 CA SER A 19 13.315 -8.758 0.568 1.00 0.00 C ATOM 218 C SER A 19 13.322 -7.302 0.126 1.00 0.00 C ATOM 219 O SER A 19 13.813 -6.439 0.854 1.00 0.00 O ATOM 220 CB SER A 19 13.188 -9.705 -0.633 1.00 0.00 C ATOM 221 OG SER A 19 14.231 -9.500 -1.570 1.00 0.00 O ATOM 0 H SER A 19 11.340 -9.233 1.079 1.00 0.00 H new ATOM 0 HA SER A 19 14.266 -8.961 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.207 -10.738 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.225 -9.550 -1.120 1.00 0.00 H new ATOM 0 HG SER A 19 15.079 -9.809 -1.188 1.00 0.00 H new ATOM 227 N MET A 20 12.763 -7.031 -1.049 1.00 0.00 N ATOM 228 CA MET A 20 12.641 -5.673 -1.549 1.00 0.00 C ATOM 229 C MET A 20 11.639 -4.884 -0.714 1.00 0.00 C ATOM 230 O MET A 20 10.488 -4.688 -1.102 1.00 0.00 O ATOM 231 CB MET A 20 12.234 -5.672 -3.028 1.00 0.00 C ATOM 232 CG MET A 20 11.030 -6.548 -3.338 1.00 0.00 C ATOM 233 SD MET A 20 10.430 -6.347 -5.028 1.00 0.00 S ATOM 234 CE MET A 20 11.861 -6.885 -5.963 1.00 0.00 C ATOM 0 H MET A 20 12.386 -7.743 -1.675 1.00 0.00 H new ATOM 0 HA MET A 20 13.614 -5.189 -1.465 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.014 -4.649 -3.333 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.080 -6.009 -3.627 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.295 -7.592 -3.174 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.226 -6.310 -2.642 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.574 -7.057 -7.001 1.00 0.00 H new ATOM 0 HE2 MET A 20 12.632 -6.116 -5.922 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.248 -7.810 -5.536 1.00 0.00 H new ATOM 244 N THR A 21 12.090 -4.452 0.446 1.00 0.00 N ATOM 245 CA THR A 21 11.286 -3.636 1.314 1.00 0.00 C ATOM 246 C THR A 21 11.318 -2.208 0.802 1.00 0.00 C ATOM 247 O THR A 21 12.370 -1.578 0.755 1.00 0.00 O ATOM 248 CB THR A 21 11.807 -3.695 2.761 1.00 0.00 C ATOM 249 OG1 THR A 21 11.970 -5.067 3.157 1.00 0.00 O ATOM 250 CG2 THR A 21 10.853 -2.989 3.718 1.00 0.00 C ATOM 0 H THR A 21 13.021 -4.659 0.807 1.00 0.00 H new ATOM 0 HA THR A 21 10.262 -4.009 1.315 1.00 0.00 H new ATOM 0 HB THR A 21 12.768 -3.183 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.303 -5.104 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.247 -3.047 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.753 -1.943 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.876 -3.471 3.680 1.00 0.00 H new ATOM 258 N GLU A 22 10.175 -1.717 0.388 1.00 0.00 N ATOM 259 CA GLU A 22 10.095 -0.398 -0.196 1.00 0.00 C ATOM 260 C GLU A 22 9.712 0.597 0.883 1.00 0.00 C ATOM 261 O GLU A 22 8.649 0.475 1.477 1.00 0.00 O ATOM 262 CB GLU A 22 9.036 -0.399 -1.299 1.00 0.00 C ATOM 263 CG GLU A 22 9.021 0.845 -2.166 1.00 0.00 C ATOM 264 CD GLU A 22 10.026 0.771 -3.293 1.00 0.00 C ATOM 265 OE1 GLU A 22 9.754 0.053 -4.285 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.091 1.412 -3.190 1.00 0.00 O ATOM 0 H GLU A 22 9.285 -2.212 0.444 1.00 0.00 H new ATOM 0 HA GLU A 22 11.058 -0.119 -0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.197 -1.268 -1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.054 -0.518 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.023 0.984 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.234 1.718 -1.549 1.00 0.00 H new ATOM 273 N GLU A 23 10.561 1.567 1.152 1.00 0.00 N ATOM 274 CA GLU A 23 10.216 2.564 2.149 1.00 0.00 C ATOM 275 C GLU A 23 9.844 3.856 1.443 1.00 0.00 C ATOM 276 O GLU A 23 10.694 4.571 0.915 1.00 0.00 O ATOM 277 CB GLU A 23 11.363 2.771 3.143 1.00 0.00 C ATOM 278 CG GLU A 23 11.022 3.691 4.308 1.00 0.00 C ATOM 279 CD GLU A 23 9.986 3.108 5.252 1.00 0.00 C ATOM 280 OE1 GLU A 23 10.356 2.277 6.115 1.00 0.00 O ATOM 281 OE2 GLU A 23 8.805 3.489 5.148 1.00 0.00 O ATOM 0 H GLU A 23 11.472 1.688 0.709 1.00 0.00 H new ATOM 0 HA GLU A 23 9.360 2.219 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.666 1.801 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.221 3.181 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.932 3.909 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.654 4.639 3.917 1.00 0.00 H new ATOM 288 N TYR A 24 8.564 4.145 1.433 1.00 0.00 N ATOM 289 CA TYR A 24 8.027 5.189 0.591 1.00 0.00 C ATOM 290 C TYR A 24 7.980 6.530 1.302 1.00 0.00 C ATOM 291 O TYR A 24 7.412 6.655 2.386 1.00 0.00 O ATOM 292 CB TYR A 24 6.630 4.788 0.119 1.00 0.00 C ATOM 293 CG TYR A 24 6.542 4.590 -1.372 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.416 5.673 -2.221 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.604 3.320 -1.929 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.354 5.504 -3.587 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.537 3.139 -3.298 1.00 0.00 C ATOM 298 CZ TYR A 24 6.415 4.235 -4.123 1.00 0.00 C ATOM 299 OH TYR A 24 6.363 4.062 -5.488 1.00 0.00 O ATOM 0 H TYR A 24 7.868 3.666 2.005 1.00 0.00 H new ATOM 0 HA TYR A 24 8.690 5.307 -0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.335 3.866 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.917 5.556 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.365 6.669 -1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.706 2.460 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.258 6.362 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.580 2.145 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 24 6.419 3.107 -5.699 1.00 0.00 H new ATOM 309 N ARG A 25 8.600 7.525 0.681 1.00 0.00 N ATOM 310 CA ARG A 25 8.535 8.892 1.169 1.00 0.00 C ATOM 311 C ARG A 25 7.348 9.594 0.532 1.00 0.00 C ATOM 312 O ARG A 25 7.412 10.033 -0.617 1.00 0.00 O ATOM 313 CB ARG A 25 9.816 9.658 0.844 1.00 0.00 C ATOM 314 CG ARG A 25 11.079 9.008 1.378 1.00 0.00 C ATOM 315 CD ARG A 25 12.298 9.870 1.098 1.00 0.00 C ATOM 316 NE ARG A 25 11.982 11.296 1.193 1.00 0.00 N ATOM 317 CZ ARG A 25 12.209 12.180 0.222 1.00 0.00 C ATOM 318 NH1 ARG A 25 12.808 11.809 -0.904 1.00 0.00 N ATOM 319 NH2 ARG A 25 11.821 13.440 0.376 1.00 0.00 N ATOM 0 H ARG A 25 9.156 7.407 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 25 8.421 8.867 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.902 9.759 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.738 10.665 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.983 8.847 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.209 8.028 0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.089 9.624 1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.681 9.647 0.102 1.00 0.00 H new ATOM 0 HE ARG A 25 11.561 11.635 2.058 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.099 10.840 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.977 12.493 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.351 13.728 1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.992 14.121 -0.364 1.00 0.00 H new ATOM 333 N VAL A 26 6.265 9.674 1.270 1.00 0.00 N ATOM 334 CA VAL A 26 5.032 10.235 0.755 1.00 0.00 C ATOM 335 C VAL A 26 4.658 11.500 1.521 1.00 0.00 C ATOM 336 O VAL A 26 4.516 11.474 2.739 1.00 0.00 O ATOM 337 CB VAL A 26 3.889 9.188 0.822 1.00 0.00 C ATOM 338 CG1 VAL A 26 3.958 8.380 2.105 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.525 9.844 0.689 1.00 0.00 C ATOM 0 H VAL A 26 6.211 9.355 2.237 1.00 0.00 H new ATOM 0 HA VAL A 26 5.184 10.505 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 26 4.025 8.511 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.144 7.655 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.912 7.856 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.867 9.048 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.748 9.081 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.385 10.560 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.462 10.362 -0.268 1.00 0.00 H new ATOM 349 N PRO A 27 4.514 12.630 0.809 1.00 0.00 N ATOM 350 CA PRO A 27 4.158 13.917 1.422 1.00 0.00 C ATOM 351 C PRO A 27 2.893 13.789 2.261 1.00 0.00 C ATOM 352 O PRO A 27 1.994 13.017 1.932 1.00 0.00 O ATOM 353 CB PRO A 27 3.921 14.825 0.212 1.00 0.00 C ATOM 354 CG PRO A 27 4.738 14.224 -0.873 1.00 0.00 C ATOM 355 CD PRO A 27 4.665 12.740 -0.651 1.00 0.00 C ATOM 0 HA PRO A 27 4.924 14.295 2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.866 14.858 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.229 15.850 0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.348 14.494 -1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.768 14.577 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.822 12.294 -1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.564 12.235 -1.003 1.00 0.00 H new ATOM 363 N ASP A 28 2.841 14.546 3.350 1.00 0.00 N ATOM 364 CA ASP A 28 1.803 14.374 4.365 1.00 0.00 C ATOM 365 C ASP A 28 0.396 14.628 3.808 1.00 0.00 C ATOM 366 O ASP A 28 -0.584 14.049 4.285 1.00 0.00 O ATOM 367 CB ASP A 28 2.082 15.273 5.580 1.00 0.00 C ATOM 368 CG ASP A 28 1.635 16.710 5.388 1.00 0.00 C ATOM 369 OD1 ASP A 28 2.350 17.475 4.707 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.580 17.084 5.938 1.00 0.00 O ATOM 0 H ASP A 28 3.508 15.289 3.556 1.00 0.00 H new ATOM 0 HA ASP A 28 1.833 13.332 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.577 14.858 6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.151 15.259 5.794 1.00 0.00 H new ATOM 375 N GLY A 29 0.291 15.479 2.796 1.00 0.00 N ATOM 376 CA GLY A 29 -0.990 15.673 2.138 1.00 0.00 C ATOM 377 C GLY A 29 -1.334 14.505 1.237 1.00 0.00 C ATOM 378 O GLY A 29 -2.506 14.153 1.047 1.00 0.00 O ATOM 0 H GLY A 29 1.060 16.034 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.771 15.797 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.963 16.591 1.551 1.00 0.00 H new ATOM 382 N MET A 30 -0.297 13.866 0.725 1.00 0.00 N ATOM 383 CA MET A 30 -0.457 12.762 -0.200 1.00 0.00 C ATOM 384 C MET A 30 -0.816 11.490 0.552 1.00 0.00 C ATOM 385 O MET A 30 -1.527 10.639 0.030 1.00 0.00 O ATOM 386 CB MET A 30 0.826 12.548 -1.003 1.00 0.00 C ATOM 387 CG MET A 30 1.199 13.701 -1.928 1.00 0.00 C ATOM 388 SD MET A 30 0.227 13.755 -3.450 1.00 0.00 S ATOM 389 CE MET A 30 -1.244 14.627 -2.925 1.00 0.00 C ATOM 0 H MET A 30 0.673 14.097 0.938 1.00 0.00 H new ATOM 0 HA MET A 30 -1.266 13.005 -0.889 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.649 12.377 -0.309 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.718 11.642 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.071 14.641 -1.392 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.255 13.622 -2.185 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.845 14.885 -3.797 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.826 13.990 -2.259 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.959 15.538 -2.399 1.00 0.00 H new ATOM 399 N VAL A 31 -0.331 11.356 1.786 1.00 0.00 N ATOM 400 CA VAL A 31 -0.724 10.223 2.615 1.00 0.00 C ATOM 401 C VAL A 31 -2.184 10.372 3.028 1.00 0.00 C ATOM 402 O VAL A 31 -2.911 9.388 3.130 1.00 0.00 O ATOM 403 CB VAL A 31 0.170 10.032 3.868 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.133 11.243 4.779 1.00 0.00 C ATOM 405 CG2 VAL A 31 -0.251 8.786 4.636 1.00 0.00 C ATOM 0 H VAL A 31 0.322 12.005 2.225 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.591 9.328 2.008 1.00 0.00 H new ATOM 0 HB VAL A 31 1.196 9.910 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.772 11.067 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.490 12.118 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.890 11.416 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.386 8.666 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.289 8.887 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.152 7.911 3.993 1.00 0.00 H new ATOM 415 N GLY A 32 -2.619 11.612 3.237 1.00 0.00 N ATOM 416 CA GLY A 32 -4.030 11.854 3.471 1.00 0.00 C ATOM 417 C GLY A 32 -4.877 11.392 2.299 1.00 0.00 C ATOM 418 O GLY A 32 -6.025 10.984 2.471 1.00 0.00 O ATOM 0 H GLY A 32 -2.028 12.443 3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.344 11.333 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.194 12.918 3.642 1.00 0.00 H new ATOM 422 N LEU A 33 -4.308 11.448 1.098 1.00 0.00 N ATOM 423 CA LEU A 33 -5.007 10.970 -0.089 1.00 0.00 C ATOM 424 C LEU A 33 -4.787 9.472 -0.341 1.00 0.00 C ATOM 425 O LEU A 33 -5.614 8.832 -0.988 1.00 0.00 O ATOM 426 CB LEU A 33 -4.599 11.773 -1.328 1.00 0.00 C ATOM 427 CG LEU A 33 -5.045 13.235 -1.334 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.694 13.886 -2.663 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.540 13.336 -1.070 1.00 0.00 C ATOM 0 H LEU A 33 -3.373 11.816 0.922 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.070 11.118 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.513 11.741 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.009 11.282 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.519 13.763 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.017 14.927 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.616 13.842 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.198 13.356 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.841 14.384 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.084 12.797 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.768 12.900 -0.097 1.00 0.00 H new ATOM 441 N ILE A 34 -3.690 8.901 0.166 1.00 0.00 N ATOM 442 CA ILE A 34 -3.430 7.470 -0.030 1.00 0.00 C ATOM 443 C ILE A 34 -4.404 6.654 0.813 1.00 0.00 C ATOM 444 O ILE A 34 -4.791 5.541 0.457 1.00 0.00 O ATOM 445 CB ILE A 34 -1.964 7.059 0.306 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.651 5.686 -0.286 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.708 7.034 1.805 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.596 5.687 -1.797 1.00 0.00 C ATOM 0 H ILE A 34 -2.979 9.396 0.705 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.576 7.263 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.310 7.811 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.695 5.338 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.408 4.974 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.675 6.743 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.887 8.025 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.379 6.316 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.370 4.682 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.559 6.005 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.819 6.374 -2.132 1.00 0.00 H new ATOM 460 N ILE A 35 -4.803 7.233 1.933 1.00 0.00 N ATOM 461 CA ILE A 35 -5.843 6.652 2.759 1.00 0.00 C ATOM 462 C ILE A 35 -7.215 7.039 2.221 1.00 0.00 C ATOM 463 O ILE A 35 -8.235 6.453 2.601 1.00 0.00 O ATOM 464 CB ILE A 35 -5.716 7.076 4.233 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.568 8.592 4.361 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.555 6.351 4.889 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.429 9.077 5.788 1.00 0.00 C ATOM 0 H ILE A 35 -4.420 8.108 2.290 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.726 5.569 2.718 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.632 6.795 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.694 8.911 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.436 9.071 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.476 6.660 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.724 5.275 4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.631 6.597 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.329 10.162 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.313 8.791 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.545 8.628 6.240 1.00 0.00 H new ATOM 479 N GLY A 36 -7.217 8.039 1.342 1.00 0.00 N ATOM 480 CA GLY A 36 -8.424 8.465 0.657 1.00 0.00 C ATOM 481 C GLY A 36 -9.469 9.032 1.589 1.00 0.00 C ATOM 482 O GLY A 36 -9.463 10.222 1.901 1.00 0.00 O ATOM 0 H GLY A 36 -6.384 8.571 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.165 9.217 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.848 7.617 0.120 1.00 0.00 H new ATOM 486 N ARG A 37 -10.348 8.162 2.050 1.00 0.00 N ATOM 487 CA ARG A 37 -11.470 8.548 2.894 1.00 0.00 C ATOM 488 C ARG A 37 -11.020 8.813 4.324 1.00 0.00 C ATOM 489 O ARG A 37 -11.828 9.142 5.193 1.00 0.00 O ATOM 490 CB ARG A 37 -12.519 7.443 2.876 1.00 0.00 C ATOM 491 CG ARG A 37 -12.026 6.129 3.460 1.00 0.00 C ATOM 492 CD ARG A 37 -12.854 4.963 2.947 1.00 0.00 C ATOM 493 NE ARG A 37 -12.741 4.817 1.496 1.00 0.00 N ATOM 494 CZ ARG A 37 -13.301 3.828 0.800 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.080 2.942 1.409 1.00 0.00 N ATOM 496 NH2 ARG A 37 -13.092 3.736 -0.508 1.00 0.00 N ATOM 0 H ARG A 37 -10.306 7.163 1.850 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.897 9.471 2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.394 7.774 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.842 7.276 1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.979 5.980 3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.079 6.167 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.527 4.043 3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.899 5.112 3.218 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.200 5.515 0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.251 3.017 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.507 2.186 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.503 4.422 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.520 2.979 -1.041 1.00 0.00 H new ATOM 510 N GLY A 38 -9.729 8.656 4.564 1.00 0.00 N ATOM 511 CA GLY A 38 -9.191 8.912 5.877 1.00 0.00 C ATOM 512 C GLY A 38 -8.560 7.686 6.502 1.00 0.00 C ATOM 513 O GLY A 38 -8.239 7.687 7.689 1.00 0.00 O ATOM 0 H GLY A 38 -9.045 8.355 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.446 9.705 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.987 9.276 6.526 1.00 0.00 H new ATOM 517 N GLY A 39 -8.386 6.625 5.718 1.00 0.00 N ATOM 518 CA GLY A 39 -7.666 5.474 6.222 1.00 0.00 C ATOM 519 C GLY A 39 -7.980 4.192 5.482 1.00 0.00 C ATOM 520 O GLY A 39 -7.084 3.544 4.946 1.00 0.00 O ATOM 0 H GLY A 39 -8.725 6.544 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.595 5.668 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.902 5.342 7.278 1.00 0.00 H new ATOM 524 N GLU A 40 -9.257 3.847 5.423 1.00 0.00 N ATOM 525 CA GLU A 40 -9.680 2.531 4.949 1.00 0.00 C ATOM 526 C GLU A 40 -9.247 2.203 3.520 1.00 0.00 C ATOM 527 O GLU A 40 -9.137 1.032 3.188 1.00 0.00 O ATOM 528 CB GLU A 40 -11.193 2.374 5.070 1.00 0.00 C ATOM 529 CG GLU A 40 -11.660 2.120 6.492 1.00 0.00 C ATOM 530 CD GLU A 40 -10.972 0.919 7.116 1.00 0.00 C ATOM 531 OE1 GLU A 40 -11.387 -0.224 6.836 1.00 0.00 O ATOM 532 OE2 GLU A 40 -10.009 1.116 7.885 1.00 0.00 O ATOM 0 H GLU A 40 -10.024 4.460 5.698 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.169 1.819 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.676 3.275 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.517 1.549 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.466 3.004 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.738 1.961 6.496 1.00 0.00 H new ATOM 539 N GLN A 41 -8.988 3.203 2.675 1.00 0.00 N ATOM 540 CA GLN A 41 -8.679 2.913 1.273 1.00 0.00 C ATOM 541 C GLN A 41 -7.442 2.037 1.169 1.00 0.00 C ATOM 542 O GLN A 41 -7.471 0.985 0.532 1.00 0.00 O ATOM 543 CB GLN A 41 -8.462 4.167 0.440 1.00 0.00 C ATOM 544 CG GLN A 41 -8.620 3.900 -1.049 1.00 0.00 C ATOM 545 CD GLN A 41 -7.986 4.968 -1.910 1.00 0.00 C ATOM 546 OE1 GLN A 41 -6.875 5.508 -1.447 1.00 0.00 O flip ATOM 547 NE2 GLN A 41 -8.474 5.275 -2.998 1.00 0.00 N flip ATOM 0 H GLN A 41 -8.985 4.192 2.925 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.550 2.392 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.173 4.934 0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.465 4.562 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.174 2.935 -1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.681 3.829 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.336 4.830 -3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.017 5.974 -3.583 1.00 0.00 H new ATOM 556 N ILE A 42 -6.355 2.467 1.805 1.00 0.00 N ATOM 557 CA ILE A 42 -5.126 1.695 1.775 1.00 0.00 C ATOM 558 C ILE A 42 -5.348 0.339 2.421 1.00 0.00 C ATOM 559 O ILE A 42 -4.968 -0.678 1.859 1.00 0.00 O ATOM 560 CB ILE A 42 -3.938 2.422 2.458 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.692 1.538 2.432 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.270 2.830 3.885 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.135 1.323 1.038 1.00 0.00 C ATOM 0 H ILE A 42 -6.304 3.334 2.339 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.857 1.568 0.726 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.741 3.334 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.922 1.990 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.933 0.570 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.412 3.336 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.126 3.504 3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.510 1.943 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.252 0.687 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.890 0.843 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.863 2.285 0.603 1.00 0.00 H new ATOM 575 N ASN A 43 -6.015 0.335 3.576 1.00 0.00 N ATOM 576 CA ASN A 43 -6.306 -0.892 4.306 1.00 0.00 C ATOM 577 C ASN A 43 -7.031 -1.888 3.417 1.00 0.00 C ATOM 578 O ASN A 43 -6.791 -3.090 3.489 1.00 0.00 O ATOM 579 CB ASN A 43 -7.156 -0.588 5.543 1.00 0.00 C ATOM 580 CG ASN A 43 -6.429 0.277 6.555 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.202 0.233 6.660 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.178 1.059 7.319 1.00 0.00 N ATOM 0 H ASN A 43 -6.366 1.180 4.027 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.359 -1.330 4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.073 -0.086 5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.449 -1.525 6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.741 1.652 8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.191 1.067 7.202 1.00 0.00 H new ATOM 589 N LYS A 44 -7.906 -1.374 2.569 1.00 0.00 N ATOM 590 CA LYS A 44 -8.660 -2.199 1.645 1.00 0.00 C ATOM 591 C LYS A 44 -7.772 -2.724 0.525 1.00 0.00 C ATOM 592 O LYS A 44 -7.863 -3.890 0.157 1.00 0.00 O ATOM 593 CB LYS A 44 -9.835 -1.399 1.082 1.00 0.00 C ATOM 594 CG LYS A 44 -10.908 -1.137 2.127 1.00 0.00 C ATOM 595 CD LYS A 44 -12.026 -0.259 1.597 1.00 0.00 C ATOM 596 CE LYS A 44 -13.061 0.027 2.675 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.683 -1.217 3.200 1.00 0.00 N ATOM 0 H LYS A 44 -8.112 -0.377 2.503 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.047 -3.063 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.471 -0.448 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.272 -1.941 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.324 -2.087 2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.456 -0.660 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.611 0.680 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.506 -0.749 0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.589 0.569 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.837 0.676 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.514 -0.973 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.977 -1.820 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.994 -1.729 3.787 1.00 0.00 H new ATOM 611 N ILE A 45 -6.899 -1.868 0.006 1.00 0.00 N ATOM 612 CA ILE A 45 -6.008 -2.246 -1.089 1.00 0.00 C ATOM 613 C ILE A 45 -4.967 -3.270 -0.641 1.00 0.00 C ATOM 614 O ILE A 45 -4.765 -4.295 -1.295 1.00 0.00 O ATOM 615 CB ILE A 45 -5.293 -1.022 -1.684 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.321 -0.061 -2.283 1.00 0.00 C ATOM 617 CG2 ILE A 45 -4.276 -1.448 -2.737 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.301 -0.718 -3.236 1.00 0.00 C ATOM 0 H ILE A 45 -6.788 -0.906 0.325 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.637 -2.696 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.754 -0.509 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.878 0.409 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.795 0.734 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.782 -0.566 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.532 -2.102 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.785 -1.982 -3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.996 0.031 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.756 -1.164 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.857 -1.494 -2.709 1.00 0.00 H new ATOM 630 N GLN A 46 -4.312 -2.994 0.479 1.00 0.00 N ATOM 631 CA GLN A 46 -3.274 -3.881 0.985 1.00 0.00 C ATOM 632 C GLN A 46 -3.865 -5.215 1.440 1.00 0.00 C ATOM 633 O GLN A 46 -3.224 -6.254 1.325 1.00 0.00 O ATOM 634 CB GLN A 46 -2.482 -3.211 2.115 1.00 0.00 C ATOM 635 CG GLN A 46 -3.334 -2.564 3.190 1.00 0.00 C ATOM 636 CD GLN A 46 -3.212 -3.225 4.543 1.00 0.00 C ATOM 637 OE1 GLN A 46 -3.006 -4.429 4.653 1.00 0.00 O ATOM 638 NE2 GLN A 46 -3.336 -2.427 5.591 1.00 0.00 N ATOM 0 H GLN A 46 -4.480 -2.167 1.052 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.581 -4.087 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.838 -3.957 2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.829 -2.453 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.052 -1.515 3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.378 -2.588 2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.507 -1.431 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.261 -2.808 6.534 1.00 0.00 H new ATOM 647 N GLN A 47 -5.101 -5.184 1.926 1.00 0.00 N ATOM 648 CA GLN A 47 -5.795 -6.405 2.324 1.00 0.00 C ATOM 649 C GLN A 47 -6.233 -7.181 1.084 1.00 0.00 C ATOM 650 O GLN A 47 -6.198 -8.412 1.056 1.00 0.00 O ATOM 651 CB GLN A 47 -6.995 -6.052 3.214 1.00 0.00 C ATOM 652 CG GLN A 47 -7.812 -7.243 3.700 1.00 0.00 C ATOM 653 CD GLN A 47 -8.898 -7.671 2.726 1.00 0.00 C ATOM 654 OE1 GLN A 47 -9.448 -6.721 1.981 1.00 0.00 O flip ATOM 655 NE2 GLN A 47 -9.247 -8.846 2.651 1.00 0.00 N flip ATOM 0 H GLN A 47 -5.643 -4.329 2.054 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.120 -7.040 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.634 -5.500 4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.653 -5.381 2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.142 -8.084 3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.271 -6.993 4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.801 -9.549 3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.983 -9.119 2.000 1.00 0.00 H new ATOM 664 N ASP A 48 -6.625 -6.439 0.055 1.00 0.00 N ATOM 665 CA ASP A 48 -7.084 -7.020 -1.201 1.00 0.00 C ATOM 666 C ASP A 48 -5.954 -7.767 -1.905 1.00 0.00 C ATOM 667 O ASP A 48 -6.181 -8.776 -2.574 1.00 0.00 O ATOM 668 CB ASP A 48 -7.636 -5.911 -2.102 1.00 0.00 C ATOM 669 CG ASP A 48 -8.113 -6.410 -3.448 1.00 0.00 C ATOM 670 OD1 ASP A 48 -9.123 -7.145 -3.492 1.00 0.00 O ATOM 671 OD2 ASP A 48 -7.493 -6.047 -4.469 1.00 0.00 O ATOM 0 H ASP A 48 -6.634 -5.419 0.068 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.874 -7.740 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.463 -5.417 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.862 -5.159 -2.255 1.00 0.00 H new ATOM 676 N SER A 49 -4.735 -7.285 -1.733 1.00 0.00 N ATOM 677 CA SER A 49 -3.582 -7.892 -2.374 1.00 0.00 C ATOM 678 C SER A 49 -2.854 -8.856 -1.439 1.00 0.00 C ATOM 679 O SER A 49 -2.428 -9.932 -1.851 1.00 0.00 O ATOM 680 CB SER A 49 -2.629 -6.803 -2.854 1.00 0.00 C ATOM 681 OG SER A 49 -2.446 -5.816 -1.852 1.00 0.00 O ATOM 0 H SER A 49 -4.518 -6.474 -1.154 1.00 0.00 H new ATOM 0 HA SER A 49 -3.937 -8.471 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.667 -7.245 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.024 -6.341 -3.758 1.00 0.00 H new ATOM 0 HG SER A 49 -3.236 -5.238 -1.814 1.00 0.00 H new ATOM 687 N GLY A 50 -2.731 -8.473 -0.174 1.00 0.00 N ATOM 688 CA GLY A 50 -1.994 -9.280 0.780 1.00 0.00 C ATOM 689 C GLY A 50 -0.677 -8.633 1.163 1.00 0.00 C ATOM 690 O GLY A 50 0.165 -9.248 1.822 1.00 0.00 O ATOM 0 H GLY A 50 -3.130 -7.616 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.599 -9.430 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.805 -10.265 0.354 1.00 0.00 H new ATOM 694 N CYS A 51 -0.495 -7.393 0.735 1.00 0.00 N ATOM 695 CA CYS A 51 0.723 -6.656 1.018 1.00 0.00 C ATOM 696 C CYS A 51 0.692 -6.084 2.432 1.00 0.00 C ATOM 697 O CYS A 51 -0.318 -5.542 2.876 1.00 0.00 O ATOM 698 CB CYS A 51 0.907 -5.528 0.004 1.00 0.00 C ATOM 699 SG CYS A 51 2.520 -4.714 0.081 1.00 0.00 S ATOM 0 H CYS A 51 -1.182 -6.875 0.187 1.00 0.00 H new ATOM 0 HA CYS A 51 1.564 -7.345 0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.763 -5.930 -0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.129 -4.782 0.163 1.00 0.00 H new ATOM 0 HG CYS A 51 3.259 -5.298 0.977 1.00 0.00 H new ATOM 705 N LYS A 52 1.811 -6.205 3.122 1.00 0.00 N ATOM 706 CA LYS A 52 1.955 -5.697 4.474 1.00 0.00 C ATOM 707 C LYS A 52 2.323 -4.224 4.419 1.00 0.00 C ATOM 708 O LYS A 52 3.468 -3.846 4.676 1.00 0.00 O ATOM 709 CB LYS A 52 3.048 -6.472 5.221 1.00 0.00 C ATOM 710 CG LYS A 52 3.063 -7.960 4.921 1.00 0.00 C ATOM 711 CD LYS A 52 1.751 -8.638 5.278 1.00 0.00 C ATOM 712 CE LYS A 52 1.714 -10.065 4.756 1.00 0.00 C ATOM 713 NZ LYS A 52 2.813 -10.891 5.320 1.00 0.00 N ATOM 0 H LYS A 52 2.649 -6.660 2.759 1.00 0.00 H new ATOM 0 HA LYS A 52 1.011 -5.823 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.019 -6.050 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.913 -6.329 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.270 -8.112 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.875 -8.431 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.621 -8.640 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.919 -8.072 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.755 -10.518 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.788 -10.056 3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.684 -11.883 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.726 -10.544 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.799 -10.825 6.358 1.00 0.00 H new ATOM 727 N VAL A 53 1.359 -3.406 4.049 1.00 0.00 N ATOM 728 CA VAL A 53 1.580 -1.981 3.939 1.00 0.00 C ATOM 729 C VAL A 53 1.440 -1.327 5.304 1.00 0.00 C ATOM 730 O VAL A 53 0.335 -1.196 5.839 1.00 0.00 O ATOM 731 CB VAL A 53 0.598 -1.339 2.940 1.00 0.00 C ATOM 732 CG1 VAL A 53 0.892 0.140 2.755 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.654 -2.058 1.607 1.00 0.00 C ATOM 0 H VAL A 53 0.412 -3.706 3.819 1.00 0.00 H new ATOM 0 HA VAL A 53 2.592 -1.822 3.565 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.408 -1.435 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.183 0.566 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.798 0.652 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.906 0.265 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.045 -1.592 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.664 -1.995 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.384 -3.105 1.747 1.00 0.00 H new ATOM 743 N GLN A 54 2.565 -0.933 5.865 1.00 0.00 N ATOM 744 CA GLN A 54 2.582 -0.333 7.182 1.00 0.00 C ATOM 745 C GLN A 54 2.781 1.168 7.070 1.00 0.00 C ATOM 746 O GLN A 54 3.853 1.636 6.676 1.00 0.00 O ATOM 747 CB GLN A 54 3.685 -0.959 8.039 1.00 0.00 C ATOM 748 CG GLN A 54 3.175 -1.605 9.317 1.00 0.00 C ATOM 749 CD GLN A 54 2.217 -2.752 9.055 1.00 0.00 C ATOM 750 OE1 GLN A 54 0.934 -2.444 8.966 1.00 0.00 O flip ATOM 751 NE2 GLN A 54 2.625 -3.907 8.929 1.00 0.00 N flip ATOM 0 H GLN A 54 3.482 -1.018 5.427 1.00 0.00 H new ATOM 0 HA GLN A 54 1.624 -0.521 7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.210 -1.709 7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.413 -0.190 8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.022 -1.971 9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.674 -0.851 9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.622 -4.107 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.965 -4.664 8.750 1.00 0.00 H new ATOM 760 N ILE A 55 1.741 1.917 7.394 1.00 0.00 N ATOM 761 CA ILE A 55 1.805 3.366 7.346 1.00 0.00 C ATOM 762 C ILE A 55 2.507 3.891 8.595 1.00 0.00 C ATOM 763 O ILE A 55 1.989 3.762 9.704 1.00 0.00 O ATOM 764 CB ILE A 55 0.396 4.002 7.244 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.370 3.453 6.034 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.494 5.516 7.159 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.311 3.698 4.706 1.00 0.00 C ATOM 0 H ILE A 55 0.840 1.544 7.694 1.00 0.00 H new ATOM 0 HA ILE A 55 2.366 3.643 6.453 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.154 3.738 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.512 2.380 6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.361 3.905 6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.507 5.942 7.088 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.989 5.899 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.070 5.794 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.296 3.279 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.429 4.770 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.291 3.222 4.706 1.00 0.00 H new ATOM 779 N SER A 56 3.689 4.462 8.410 1.00 0.00 N ATOM 780 CA SER A 56 4.473 4.989 9.518 1.00 0.00 C ATOM 781 C SER A 56 4.204 6.483 9.687 1.00 0.00 C ATOM 782 O SER A 56 4.726 7.311 8.928 1.00 0.00 O ATOM 783 CB SER A 56 5.959 4.747 9.263 1.00 0.00 C ATOM 784 OG SER A 56 6.179 3.454 8.724 1.00 0.00 O ATOM 0 H SER A 56 4.128 4.572 7.496 1.00 0.00 H new ATOM 0 HA SER A 56 4.183 4.476 10.435 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.341 5.501 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.514 4.855 10.195 1.00 0.00 H new ATOM 0 HG SER A 56 7.138 3.323 8.568 1.00 0.00 H new ATOM 790 N PRO A 57 3.378 6.843 10.683 1.00 0.00 N ATOM 791 CA PRO A 57 2.970 8.231 10.919 1.00 0.00 C ATOM 792 C PRO A 57 4.062 9.056 11.586 1.00 0.00 C ATOM 793 O PRO A 57 4.065 10.285 11.507 1.00 0.00 O ATOM 794 CB PRO A 57 1.773 8.081 11.855 1.00 0.00 C ATOM 795 CG PRO A 57 2.057 6.837 12.621 1.00 0.00 C ATOM 796 CD PRO A 57 2.777 5.921 11.669 1.00 0.00 C ATOM 0 HA PRO A 57 2.749 8.756 9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.675 8.942 12.517 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.840 8.000 11.297 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.670 7.049 13.497 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.135 6.380 12.980 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.537 5.330 12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.092 5.218 11.195 1.00 0.00 H new ATOM 804 N ASP A 58 4.988 8.370 12.238 1.00 0.00 N ATOM 805 CA ASP A 58 6.060 9.033 12.963 1.00 0.00 C ATOM 806 C ASP A 58 7.149 9.468 11.998 1.00 0.00 C ATOM 807 O ASP A 58 7.683 10.573 12.108 1.00 0.00 O ATOM 808 CB ASP A 58 6.636 8.103 14.034 1.00 0.00 C ATOM 809 CG ASP A 58 5.566 7.548 14.953 1.00 0.00 C ATOM 810 OD1 ASP A 58 5.117 8.275 15.863 1.00 0.00 O ATOM 811 OD2 ASP A 58 5.159 6.379 14.764 1.00 0.00 O ATOM 0 H ASP A 58 5.018 7.351 12.280 1.00 0.00 H new ATOM 0 HA ASP A 58 5.655 9.916 13.457 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.160 7.278 13.551 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.373 8.647 14.625 1.00 0.00 H new ATOM 816 N SER A 59 7.456 8.579 11.048 1.00 0.00 N ATOM 817 CA SER A 59 8.383 8.859 9.954 1.00 0.00 C ATOM 818 C SER A 59 9.839 8.878 10.434 1.00 0.00 C ATOM 819 O SER A 59 10.645 8.034 10.033 1.00 0.00 O ATOM 820 CB SER A 59 8.011 10.176 9.266 1.00 0.00 C ATOM 821 OG SER A 59 8.686 10.329 8.036 1.00 0.00 O ATOM 0 H SER A 59 7.063 7.638 11.019 1.00 0.00 H new ATOM 0 HA SER A 59 8.297 8.051 9.227 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.935 10.207 9.097 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.255 11.011 9.922 1.00 0.00 H new ATOM 0 HG SER A 59 8.262 11.043 7.517 1.00 0.00 H new ATOM 827 N GLY A 60 10.171 9.836 11.289 1.00 0.00 N ATOM 828 CA GLY A 60 11.495 9.891 11.868 1.00 0.00 C ATOM 829 C GLY A 60 12.499 10.611 10.991 1.00 0.00 C ATOM 830 O GLY A 60 12.844 11.764 11.251 1.00 0.00 O ATOM 0 H GLY A 60 9.542 10.579 11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.442 10.392 12.835 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.846 8.876 12.054 1.00 0.00 H new ATOM 834 N GLY A 61 12.959 9.937 9.945 1.00 0.00 N ATOM 835 CA GLY A 61 13.994 10.497 9.092 1.00 0.00 C ATOM 836 C GLY A 61 13.444 11.425 8.034 1.00 0.00 C ATOM 837 O GLY A 61 14.199 12.098 7.331 1.00 0.00 O ATOM 0 H GLY A 61 12.634 9.010 9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.711 11.040 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.539 9.686 8.609 1.00 0.00 H new ATOM 841 N LEU A 62 12.130 11.463 7.922 1.00 0.00 N ATOM 842 CA LEU A 62 11.473 12.232 6.884 1.00 0.00 C ATOM 843 C LEU A 62 10.542 13.262 7.514 1.00 0.00 C ATOM 844 O LEU A 62 9.983 13.026 8.585 1.00 0.00 O ATOM 845 CB LEU A 62 10.670 11.285 5.983 1.00 0.00 C ATOM 846 CG LEU A 62 11.451 10.104 5.404 1.00 0.00 C ATOM 847 CD1 LEU A 62 10.536 9.215 4.584 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.631 10.590 4.578 1.00 0.00 C ATOM 0 H LEU A 62 11.492 10.965 8.543 1.00 0.00 H new ATOM 0 HA LEU A 62 12.222 12.752 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.828 10.895 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.255 11.863 5.157 1.00 0.00 H new ATOM 0 HG LEU A 62 11.846 9.512 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.107 8.380 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.735 8.834 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.107 9.792 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.172 9.733 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.270 11.209 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.299 11.177 5.208 1.00 0.00 H new ATOM 860 N PRO A 63 10.388 14.435 6.876 1.00 0.00 N ATOM 861 CA PRO A 63 9.418 15.447 7.306 1.00 0.00 C ATOM 862 C PRO A 63 8.024 15.067 6.845 1.00 0.00 C ATOM 863 O PRO A 63 7.015 15.539 7.368 1.00 0.00 O ATOM 864 CB PRO A 63 9.885 16.696 6.569 1.00 0.00 C ATOM 865 CG PRO A 63 10.453 16.164 5.307 1.00 0.00 C ATOM 866 CD PRO A 63 11.141 14.878 5.685 1.00 0.00 C ATOM 0 HA PRO A 63 9.369 15.568 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.059 17.382 6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.630 17.246 7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.671 15.988 4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.156 16.870 4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.093 14.143 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.196 15.036 5.910 1.00 0.00 H new ATOM 874 N GLU A 64 8.006 14.212 5.839 1.00 0.00 N ATOM 875 CA GLU A 64 6.788 13.714 5.250 1.00 0.00 C ATOM 876 C GLU A 64 6.392 12.405 5.917 1.00 0.00 C ATOM 877 O GLU A 64 6.889 12.074 6.992 1.00 0.00 O ATOM 878 CB GLU A 64 7.003 13.529 3.743 1.00 0.00 C ATOM 879 CG GLU A 64 8.259 12.738 3.403 1.00 0.00 C ATOM 880 CD GLU A 64 9.125 13.423 2.363 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.618 13.743 1.269 1.00 0.00 O ATOM 882 OE2 GLU A 64 10.327 13.640 2.635 1.00 0.00 O ATOM 0 H GLU A 64 8.852 13.842 5.406 1.00 0.00 H new ATOM 0 HA GLU A 64 5.976 14.426 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.137 13.020 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.060 14.509 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.843 12.585 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.973 11.752 3.038 1.00 0.00 H new ATOM 889 N ARG A 65 5.506 11.673 5.285 1.00 0.00 N ATOM 890 CA ARG A 65 5.048 10.400 5.802 1.00 0.00 C ATOM 891 C ARG A 65 5.908 9.277 5.235 1.00 0.00 C ATOM 892 O ARG A 65 6.388 9.371 4.102 1.00 0.00 O ATOM 893 CB ARG A 65 3.584 10.196 5.407 1.00 0.00 C ATOM 894 CG ARG A 65 2.972 8.895 5.890 1.00 0.00 C ATOM 895 CD ARG A 65 2.732 8.911 7.387 1.00 0.00 C ATOM 896 NE ARG A 65 1.919 10.052 7.813 1.00 0.00 N ATOM 897 CZ ARG A 65 0.795 9.948 8.525 1.00 0.00 C ATOM 898 NH1 ARG A 65 0.303 8.751 8.831 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.165 11.046 8.917 1.00 0.00 N ATOM 0 H ARG A 65 5.081 11.941 4.397 1.00 0.00 H new ATOM 0 HA ARG A 65 5.132 10.390 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.997 11.026 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.506 10.237 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.029 8.722 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.632 8.066 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.237 7.986 7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.691 8.939 7.905 1.00 0.00 H new ATOM 0 HE ARG A 65 2.232 10.986 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.785 7.907 8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.556 8.677 9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.540 11.963 8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.695 10.974 9.461 1.00 0.00 H new ATOM 913 N SER A 66 6.120 8.227 6.012 1.00 0.00 N ATOM 914 CA SER A 66 6.864 7.087 5.518 1.00 0.00 C ATOM 915 C SER A 66 5.972 5.852 5.521 1.00 0.00 C ATOM 916 O SER A 66 5.137 5.683 6.408 1.00 0.00 O ATOM 917 CB SER A 66 8.132 6.877 6.349 1.00 0.00 C ATOM 918 OG SER A 66 7.829 6.665 7.718 1.00 0.00 O ATOM 0 H SER A 66 5.791 8.143 6.974 1.00 0.00 H new ATOM 0 HA SER A 66 7.178 7.273 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.684 6.021 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.781 7.747 6.250 1.00 0.00 H new ATOM 0 HG SER A 66 8.621 6.315 8.178 1.00 0.00 H new ATOM 924 N VAL A 67 6.111 5.023 4.502 1.00 0.00 N ATOM 925 CA VAL A 67 5.266 3.845 4.352 1.00 0.00 C ATOM 926 C VAL A 67 6.096 2.651 3.916 1.00 0.00 C ATOM 927 O VAL A 67 6.735 2.692 2.869 1.00 0.00 O ATOM 928 CB VAL A 67 4.151 4.077 3.306 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.314 2.823 3.121 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.268 5.253 3.699 1.00 0.00 C ATOM 0 H VAL A 67 6.803 5.142 3.762 1.00 0.00 H new ATOM 0 HA VAL A 67 4.809 3.651 5.322 1.00 0.00 H new ATOM 0 HB VAL A 67 4.630 4.314 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.536 3.011 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.951 2.007 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.853 2.550 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.493 5.393 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.804 5.053 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.874 6.156 3.768 1.00 0.00 H new ATOM 940 N SER A 68 6.094 1.590 4.705 1.00 0.00 N ATOM 941 CA SER A 68 6.854 0.410 4.347 1.00 0.00 C ATOM 942 C SER A 68 6.007 -0.583 3.569 1.00 0.00 C ATOM 943 O SER A 68 4.929 -0.997 4.007 1.00 0.00 O ATOM 944 CB SER A 68 7.445 -0.272 5.571 1.00 0.00 C ATOM 945 OG SER A 68 6.487 -0.380 6.612 1.00 0.00 O ATOM 0 H SER A 68 5.582 1.523 5.585 1.00 0.00 H new ATOM 0 HA SER A 68 7.671 0.749 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.804 -1.265 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.307 0.293 5.924 1.00 0.00 H new ATOM 0 HG SER A 68 6.893 -0.823 7.386 1.00 0.00 H new ATOM 951 N LEU A 69 6.513 -0.944 2.412 1.00 0.00 N ATOM 952 CA LEU A 69 5.867 -1.881 1.525 1.00 0.00 C ATOM 953 C LEU A 69 6.568 -3.234 1.561 1.00 0.00 C ATOM 954 O LEU A 69 7.759 -3.330 1.259 1.00 0.00 O ATOM 955 CB LEU A 69 5.914 -1.348 0.098 1.00 0.00 C ATOM 956 CG LEU A 69 4.989 -0.169 -0.237 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.532 -0.548 -0.025 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.338 1.070 0.570 1.00 0.00 C ATOM 0 H LEU A 69 7.400 -0.588 2.056 1.00 0.00 H new ATOM 0 HA LEU A 69 4.835 -2.004 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.939 -1.046 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.675 -2.169 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 69 5.139 0.070 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.896 0.303 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.277 -1.388 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.377 -0.830 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.660 1.881 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.241 0.851 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.364 1.368 0.353 1.00 0.00 H new ATOM 970 N THR A 70 5.838 -4.272 1.944 1.00 0.00 N ATOM 971 CA THR A 70 6.365 -5.635 1.921 1.00 0.00 C ATOM 972 C THR A 70 5.233 -6.633 1.680 1.00 0.00 C ATOM 973 O THR A 70 4.083 -6.320 1.950 1.00 0.00 O ATOM 974 CB THR A 70 7.082 -5.980 3.240 1.00 0.00 C ATOM 975 OG1 THR A 70 7.242 -4.801 4.044 1.00 0.00 O ATOM 976 CG2 THR A 70 8.441 -6.576 2.945 1.00 0.00 C ATOM 0 H THR A 70 4.876 -4.199 2.276 1.00 0.00 H new ATOM 0 HA THR A 70 7.089 -5.698 1.108 1.00 0.00 H new ATOM 0 HB THR A 70 6.477 -6.704 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.697 -5.034 4.880 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.943 -6.818 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.320 -7.483 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.040 -5.857 2.387 1.00 0.00 H new ATOM 984 N GLY A 71 5.535 -7.814 1.150 1.00 0.00 N ATOM 985 CA GLY A 71 4.494 -8.810 0.950 1.00 0.00 C ATOM 986 C GLY A 71 4.880 -9.886 -0.048 1.00 0.00 C ATOM 987 O GLY A 71 5.861 -10.593 0.141 1.00 0.00 O ATOM 0 H GLY A 71 6.470 -8.099 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.259 -9.278 1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.586 -8.314 0.607 1.00 0.00 H new ATOM 991 N ALA A 72 4.098 -10.016 -1.102 1.00 0.00 N ATOM 992 CA ALA A 72 4.369 -10.997 -2.143 1.00 0.00 C ATOM 993 C ALA A 72 4.579 -10.288 -3.475 1.00 0.00 C ATOM 994 O ALA A 72 4.234 -9.113 -3.590 1.00 0.00 O ATOM 995 CB ALA A 72 3.223 -11.995 -2.226 1.00 0.00 C ATOM 0 H ALA A 72 3.264 -9.452 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 72 5.279 -11.546 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.433 -12.726 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.116 -12.507 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.298 -11.468 -2.461 1.00 0.00 H new ATOM 1001 N PRO A 73 5.157 -10.966 -4.491 1.00 0.00 N ATOM 1002 CA PRO A 73 5.444 -10.347 -5.794 1.00 0.00 C ATOM 1003 C PRO A 73 4.256 -9.568 -6.350 1.00 0.00 C ATOM 1004 O PRO A 73 4.401 -8.433 -6.806 1.00 0.00 O ATOM 1005 CB PRO A 73 5.763 -11.542 -6.688 1.00 0.00 C ATOM 1006 CG PRO A 73 6.314 -12.566 -5.758 1.00 0.00 C ATOM 1007 CD PRO A 73 5.589 -12.380 -4.452 1.00 0.00 C ATOM 0 HA PRO A 73 6.250 -9.616 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.871 -11.907 -7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.485 -11.278 -7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.159 -13.571 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.389 -12.437 -5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.739 -13.057 -4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.240 -12.577 -3.600 1.00 0.00 H new ATOM 1015 N GLU A 74 3.085 -10.184 -6.295 1.00 0.00 N ATOM 1016 CA GLU A 74 1.859 -9.548 -6.752 1.00 0.00 C ATOM 1017 C GLU A 74 1.377 -8.509 -5.746 1.00 0.00 C ATOM 1018 O GLU A 74 1.039 -7.380 -6.111 1.00 0.00 O ATOM 1019 CB GLU A 74 0.771 -10.603 -6.955 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.571 -10.022 -7.362 1.00 0.00 C ATOM 1021 CD GLU A 74 -1.676 -11.054 -7.344 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -1.814 -11.801 -8.335 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -2.415 -11.125 -6.338 1.00 0.00 O ATOM 0 H GLU A 74 2.958 -11.130 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 74 2.067 -9.047 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.099 -11.308 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.648 -11.168 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.830 -9.205 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.491 -9.597 -8.362 1.00 0.00 H new ATOM 1030 N SER A 75 1.368 -8.895 -4.478 1.00 0.00 N ATOM 1031 CA SER A 75 0.801 -8.072 -3.424 1.00 0.00 C ATOM 1032 C SER A 75 1.534 -6.743 -3.306 1.00 0.00 C ATOM 1033 O SER A 75 0.913 -5.680 -3.277 1.00 0.00 O ATOM 1034 CB SER A 75 0.883 -8.821 -2.100 1.00 0.00 C ATOM 1035 OG SER A 75 0.632 -10.203 -2.283 1.00 0.00 O ATOM 0 H SER A 75 1.752 -9.783 -4.154 1.00 0.00 H new ATOM 0 HA SER A 75 -0.240 -7.864 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.870 -8.682 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.160 -8.406 -1.398 1.00 0.00 H new ATOM 0 HG SER A 75 -0.328 -10.377 -2.186 1.00 0.00 H new ATOM 1041 N VAL A 76 2.858 -6.810 -3.261 1.00 0.00 N ATOM 1042 CA VAL A 76 3.671 -5.627 -3.051 1.00 0.00 C ATOM 1043 C VAL A 76 3.621 -4.721 -4.282 1.00 0.00 C ATOM 1044 O VAL A 76 3.810 -3.517 -4.179 1.00 0.00 O ATOM 1045 CB VAL A 76 5.133 -6.002 -2.697 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.968 -6.291 -3.940 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.774 -4.917 -1.842 1.00 0.00 C ATOM 0 H VAL A 76 3.389 -7.674 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 76 3.259 -5.080 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 76 5.102 -6.924 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.985 -6.549 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.528 -7.124 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.989 -5.407 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.800 -5.199 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.775 -3.975 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.207 -4.799 -0.919 1.00 0.00 H new ATOM 1057 N GLN A 77 3.327 -5.307 -5.438 1.00 0.00 N ATOM 1058 CA GLN A 77 3.221 -4.547 -6.676 1.00 0.00 C ATOM 1059 C GLN A 77 1.914 -3.752 -6.695 1.00 0.00 C ATOM 1060 O GLN A 77 1.905 -2.567 -7.020 1.00 0.00 O ATOM 1061 CB GLN A 77 3.299 -5.489 -7.879 1.00 0.00 C ATOM 1062 CG GLN A 77 3.320 -4.774 -9.220 1.00 0.00 C ATOM 1063 CD GLN A 77 3.446 -5.734 -10.387 1.00 0.00 C ATOM 1064 OE1 GLN A 77 4.108 -6.860 -10.162 1.00 0.00 O flip ATOM 1065 NE2 GLN A 77 2.959 -5.462 -11.484 1.00 0.00 N flip ATOM 0 H GLN A 77 3.158 -6.307 -5.542 1.00 0.00 H new ATOM 0 HA GLN A 77 4.052 -3.844 -6.734 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.196 -6.102 -7.791 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.446 -6.167 -7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.407 -4.190 -9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.153 -4.071 -9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.457 -4.584 -11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.058 -6.115 -12.262 1.00 0.00 H new ATOM 1074 N LYS A 78 0.821 -4.415 -6.327 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.489 -3.769 -6.234 1.00 0.00 C ATOM 1076 C LYS A 78 -0.435 -2.608 -5.243 1.00 0.00 C ATOM 1077 O LYS A 78 -0.871 -1.487 -5.539 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.538 -4.798 -5.785 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.942 -4.237 -5.581 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.669 -4.002 -6.894 1.00 0.00 C ATOM 1081 CE LYS A 78 -3.769 -2.525 -7.226 1.00 0.00 C ATOM 1082 NZ LYS A 78 -4.609 -2.287 -8.426 1.00 0.00 N ATOM 0 H LYS A 78 0.815 -5.406 -6.086 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.765 -3.377 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.585 -5.595 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.205 -5.251 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.520 -4.928 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.879 -3.298 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.145 -4.520 -7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.670 -4.430 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.190 -1.989 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.771 -2.122 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.013 -1.939 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.066 -3.176 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.338 -1.579 -8.205 1.00 0.00 H new ATOM 1096 N ALA A 79 0.121 -2.882 -4.070 1.00 0.00 N ATOM 1097 CA ALA A 79 0.263 -1.875 -3.035 1.00 0.00 C ATOM 1098 C ALA A 79 1.097 -0.698 -3.532 1.00 0.00 C ATOM 1099 O ALA A 79 0.674 0.456 -3.452 1.00 0.00 O ATOM 1100 CB ALA A 79 0.907 -2.482 -1.807 1.00 0.00 C ATOM 0 H ALA A 79 0.482 -3.801 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.730 -1.507 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.010 -1.719 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.284 -3.295 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.892 -2.870 -2.067 1.00 0.00 H new ATOM 1106 N LYS A 80 2.275 -1.002 -4.067 1.00 0.00 N ATOM 1107 CA LYS A 80 3.195 0.033 -4.516 1.00 0.00 C ATOM 1108 C LYS A 80 2.674 0.777 -5.734 1.00 0.00 C ATOM 1109 O LYS A 80 3.113 1.886 -5.996 1.00 0.00 O ATOM 1110 CB LYS A 80 4.584 -0.533 -4.812 1.00 0.00 C ATOM 1111 CG LYS A 80 5.293 -1.069 -3.581 1.00 0.00 C ATOM 1112 CD LYS A 80 6.785 -1.245 -3.816 1.00 0.00 C ATOM 1113 CE LYS A 80 7.085 -2.125 -5.019 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.550 -2.261 -5.239 1.00 0.00 N ATOM 0 H LYS A 80 2.613 -1.955 -4.199 1.00 0.00 H new ATOM 0 HA LYS A 80 3.275 0.742 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.493 -1.333 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.197 0.247 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.135 -0.387 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.855 -2.026 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.244 -0.267 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.240 -1.682 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.645 -3.111 -4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.620 -1.700 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.762 -2.140 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.052 -1.534 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.861 -3.204 -4.930 1.00 0.00 H new ATOM 1128 N MET A 81 1.764 0.179 -6.493 1.00 0.00 N ATOM 1129 CA MET A 81 1.206 0.872 -7.647 1.00 0.00 C ATOM 1130 C MET A 81 0.265 1.984 -7.180 1.00 0.00 C ATOM 1131 O MET A 81 0.169 3.034 -7.818 1.00 0.00 O ATOM 1132 CB MET A 81 0.508 -0.100 -8.619 1.00 0.00 C ATOM 1133 CG MET A 81 -0.973 -0.328 -8.362 1.00 0.00 C ATOM 1134 SD MET A 81 -1.708 -1.465 -9.556 1.00 0.00 S ATOM 1135 CE MET A 81 -1.368 -0.607 -11.091 1.00 0.00 C ATOM 0 H MET A 81 1.403 -0.762 -6.336 1.00 0.00 H new ATOM 0 HA MET A 81 2.025 1.325 -8.205 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.629 0.279 -9.634 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.019 -1.062 -8.574 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.108 -0.724 -7.356 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.498 0.627 -8.402 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.076 -0.932 -11.854 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.468 0.467 -10.937 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.353 -0.834 -11.417 1.00 0.00 H new ATOM 1145 N MET A 82 -0.409 1.762 -6.047 1.00 0.00 N ATOM 1146 CA MET A 82 -1.192 2.826 -5.410 1.00 0.00 C ATOM 1147 C MET A 82 -0.264 3.920 -4.896 1.00 0.00 C ATOM 1148 O MET A 82 -0.484 5.110 -5.128 1.00 0.00 O ATOM 1149 CB MET A 82 -2.026 2.294 -4.239 1.00 0.00 C ATOM 1150 CG MET A 82 -3.302 1.578 -4.647 1.00 0.00 C ATOM 1151 SD MET A 82 -4.371 2.599 -5.676 1.00 0.00 S ATOM 1152 CE MET A 82 -5.752 1.489 -5.928 1.00 0.00 C ATOM 0 H MET A 82 -0.429 0.867 -5.557 1.00 0.00 H new ATOM 0 HA MET A 82 -1.869 3.227 -6.164 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.412 1.610 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.285 3.127 -3.586 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.046 0.667 -5.188 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.846 1.275 -3.752 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.417 1.902 -6.687 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.383 0.518 -6.258 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.299 1.370 -4.993 1.00 0.00 H new ATOM 1162 N LEU A 83 0.782 3.495 -4.202 1.00 0.00 N ATOM 1163 CA LEU A 83 1.758 4.408 -3.618 1.00 0.00 C ATOM 1164 C LEU A 83 2.426 5.242 -4.696 1.00 0.00 C ATOM 1165 O LEU A 83 2.442 6.462 -4.620 1.00 0.00 O ATOM 1166 CB LEU A 83 2.823 3.631 -2.828 1.00 0.00 C ATOM 1167 CG LEU A 83 2.507 3.370 -1.348 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.381 4.682 -0.590 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.236 2.547 -1.194 1.00 0.00 C ATOM 0 H LEU A 83 0.979 2.510 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 83 1.228 5.073 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.983 2.671 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.763 4.180 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 83 3.334 2.799 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.157 4.477 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.318 5.234 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.577 5.277 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.038 2.378 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.398 3.084 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.360 1.588 -1.697 1.00 0.00 H new ATOM 1181 N ASP A 84 2.950 4.568 -5.708 1.00 0.00 N ATOM 1182 CA ASP A 84 3.653 5.218 -6.808 1.00 0.00 C ATOM 1183 C ASP A 84 2.772 6.265 -7.469 1.00 0.00 C ATOM 1184 O ASP A 84 3.244 7.335 -7.845 1.00 0.00 O ATOM 1185 CB ASP A 84 4.090 4.178 -7.843 1.00 0.00 C ATOM 1186 CG ASP A 84 4.829 4.789 -9.017 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.051 5.014 -8.901 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.196 5.031 -10.067 1.00 0.00 O ATOM 0 H ASP A 84 2.901 3.553 -5.792 1.00 0.00 H new ATOM 0 HA ASP A 84 4.535 5.713 -6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.731 3.440 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.212 3.646 -8.210 1.00 0.00 H new ATOM 1193 N ASP A 85 1.490 5.953 -7.590 1.00 0.00 N ATOM 1194 CA ASP A 85 0.528 6.860 -8.200 1.00 0.00 C ATOM 1195 C ASP A 85 0.475 8.203 -7.463 1.00 0.00 C ATOM 1196 O ASP A 85 0.787 9.257 -8.034 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.854 6.201 -8.219 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.920 7.085 -8.838 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -1.853 7.333 -10.059 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.845 7.510 -8.117 1.00 0.00 O ATOM 0 H ASP A 85 1.089 5.071 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 85 0.847 7.064 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.797 5.265 -8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.145 5.949 -7.199 1.00 0.00 H new ATOM 1205 N ILE A 86 0.124 8.163 -6.186 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.027 9.383 -5.401 1.00 0.00 C ATOM 1207 C ILE A 86 1.327 10.021 -5.079 1.00 0.00 C ATOM 1208 O ILE A 86 1.478 11.241 -5.104 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.829 9.130 -4.099 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.316 8.955 -4.415 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.642 10.262 -3.105 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.679 7.585 -4.941 1.00 0.00 C ATOM 0 H ILE A 86 -0.062 7.302 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.592 10.083 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.447 8.214 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.894 9.150 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.611 9.704 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.218 10.053 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.414 10.351 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.988 11.196 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.750 7.544 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.131 7.392 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.418 6.830 -4.200 1.00 0.00 H new ATOM 1224 N VAL A 87 2.324 9.204 -4.808 1.00 0.00 N ATOM 1225 CA VAL A 87 3.642 9.723 -4.486 1.00 0.00 C ATOM 1226 C VAL A 87 4.279 10.395 -5.698 1.00 0.00 C ATOM 1227 O VAL A 87 5.091 11.300 -5.554 1.00 0.00 O ATOM 1228 CB VAL A 87 4.562 8.618 -3.927 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.985 9.124 -3.738 1.00 0.00 C ATOM 1230 CG2 VAL A 87 4.009 8.106 -2.611 1.00 0.00 C ATOM 0 H VAL A 87 2.251 8.187 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 87 3.515 10.476 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 87 4.592 7.802 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.607 8.321 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.384 9.454 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.984 9.960 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.662 7.326 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.955 8.926 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.011 7.697 -2.770 1.00 0.00 H new ATOM 1240 N SER A 88 3.886 9.985 -6.893 1.00 0.00 N ATOM 1241 CA SER A 88 4.403 10.615 -8.094 1.00 0.00 C ATOM 1242 C SER A 88 3.744 11.980 -8.306 1.00 0.00 C ATOM 1243 O SER A 88 4.388 12.916 -8.779 1.00 0.00 O ATOM 1244 CB SER A 88 4.183 9.719 -9.314 1.00 0.00 C ATOM 1245 OG SER A 88 4.900 10.196 -10.439 1.00 0.00 O ATOM 0 H SER A 88 3.220 9.230 -7.055 1.00 0.00 H new ATOM 0 HA SER A 88 5.476 10.763 -7.969 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.500 8.702 -9.083 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.120 9.676 -9.549 1.00 0.00 H new ATOM 0 HG SER A 88 4.742 9.603 -11.203 1.00 0.00 H new ATOM 1251 N ARG A 89 2.464 12.098 -7.940 1.00 0.00 N ATOM 1252 CA ARG A 89 1.766 13.380 -8.066 1.00 0.00 C ATOM 1253 C ARG A 89 2.162 14.336 -6.937 1.00 0.00 C ATOM 1254 O ARG A 89 1.870 15.532 -6.993 1.00 0.00 O ATOM 1255 CB ARG A 89 0.234 13.200 -8.105 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.389 12.656 -6.823 1.00 0.00 C ATOM 1257 CD ARG A 89 -1.902 12.796 -6.826 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.316 14.193 -6.906 1.00 0.00 N ATOM 1259 CZ ARG A 89 -3.578 14.601 -6.857 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -4.560 13.719 -6.722 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.853 15.896 -6.933 1.00 0.00 N ATOM 0 H ARG A 89 1.900 11.337 -7.561 1.00 0.00 H new ATOM 0 HA ARG A 89 2.073 13.817 -9.016 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.223 14.163 -8.332 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.016 12.527 -8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.122 11.606 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.023 13.187 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.316 12.245 -7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.311 12.347 -5.921 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.589 14.901 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.346 12.724 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.529 14.036 -6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.096 16.573 -7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.821 16.215 -6.896 1.00 0.00 H new ATOM 1275 N GLY A 90 2.824 13.809 -5.914 1.00 0.00 N ATOM 1276 CA GLY A 90 3.282 14.646 -4.817 1.00 0.00 C ATOM 1277 C GLY A 90 4.768 14.943 -4.893 1.00 0.00 C ATOM 1278 O GLY A 90 5.179 16.099 -4.925 1.00 0.00 O ATOM 0 H GLY A 90 3.052 12.819 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.727 15.584 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.062 14.152 -3.871 1.00 0.00 H new ATOM 1282 N ARG A 91 5.573 13.890 -4.944 1.00 0.00 N ATOM 1283 CA ARG A 91 7.027 14.013 -4.996 1.00 0.00 C ATOM 1284 C ARG A 91 7.506 14.101 -6.442 1.00 0.00 C ATOM 1285 O ARG A 91 8.537 13.526 -6.808 1.00 0.00 O ATOM 1286 CB ARG A 91 7.681 12.814 -4.298 1.00 0.00 C ATOM 1287 CG ARG A 91 7.480 12.793 -2.791 1.00 0.00 C ATOM 1288 CD ARG A 91 8.630 13.461 -2.047 1.00 0.00 C ATOM 1289 NE ARG A 91 8.907 14.819 -2.522 1.00 0.00 N ATOM 1290 CZ ARG A 91 9.301 15.820 -1.733 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.368 15.652 -0.418 1.00 0.00 N ATOM 1292 NH2 ARG A 91 9.615 16.995 -2.264 1.00 0.00 N ATOM 0 H ARG A 91 5.239 12.926 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 91 7.316 14.928 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.276 11.895 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.750 12.820 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.547 13.299 -2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.382 11.761 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.396 13.495 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.528 12.853 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 91 8.792 15.011 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.117 14.754 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.670 16.421 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.555 17.131 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.917 17.762 -1.663 1.00 0.00 H new ATOM 1306 N GLY A 92 6.751 14.823 -7.257 1.00 0.00 N ATOM 1307 CA GLY A 92 7.113 15.007 -8.647 1.00 0.00 C ATOM 1308 C GLY A 92 8.140 16.104 -8.815 1.00 0.00 C ATOM 1309 O GLY A 92 7.797 17.253 -9.099 1.00 0.00 O ATOM 0 H GLY A 92 5.887 15.288 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.508 14.073 -9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.222 15.250 -9.226 1.00 0.00 H new ATOM 1313 N GLY A 93 9.399 15.755 -8.615 1.00 0.00 N ATOM 1314 CA GLY A 93 10.463 16.727 -8.691 1.00 0.00 C ATOM 1315 C GLY A 93 11.583 16.385 -7.738 1.00 0.00 C ATOM 1316 O GLY A 93 11.511 16.787 -6.561 1.00 0.00 O ATOM 1317 OXT GLY A 93 12.527 15.688 -8.155 1.00 0.00 O ATOM 0 H GLY A 93 9.704 14.806 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.849 16.769 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.072 17.717 -8.457 1.00 0.00 H new TER 1321 GLY A 93