USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 93 ASN : amide:sc= -0.0483 X(o=-0.046,f=0.12) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0.00204 USER MOD Set 2.1: A 59 MET CE :methyl 135:sc= -3.39! (180deg=-7.47!) USER MOD Set 2.2: B 478 MET CE :methyl -153:sc= -4.17! (180deg=-7.26!) USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 111 TYR OH : rot 180:sc= -3.22 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.21! C(o=-1.2!,f=-2.5!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.383) USER MOD Single : A 13 SER OG : rot 180:sc=0.000518 USER MOD Single : A 19 ASN : amide:sc= -0.835 K(o=-0.84,f=-0.093) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 31 SER OG : rot 180:sc= -0.116 USER MOD Single : A 32 THR OG1 : rot 79:sc= -0.399 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0898) USER MOD Single : A 38 HIS : no HE2:sc= -2.79 K(o=-2.8,f=-3.9!) USER MOD Single : A 39 THR OG1 : rot 160:sc= -5.22! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -6.27! C(o=-6.3!,f=-8!) USER MOD Single : A 51 THR OG1 : rot 150:sc= 0.137 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -140:sc= -1.19 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 131:sc= -5! (180deg=-7.11!) USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= 1.1 (180deg=-1.12) USER MOD Single : A 87 HIS : no HD1:sc= -0.841 K(o=-0.84,f=-0.14) USER MOD Single : A 88 MET CE :methyl -126:sc= -4.91! (180deg=-11.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -150:sc= 0 (180deg=-0.0065) USER MOD Single : A 99 ASN : amide:sc= -2.72 K(o=-2.7,f=-3.9!) USER MOD Single : A 101 LYS NZ :NH3+ -157:sc= -0.0643 (180deg=-0.397) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.866 K(o=-0.87,f=-1.7) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 477 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : B 480 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.961 12.168 13.927 1.00 0.00 N ATOM 2 CA PRO A 1 -9.783 11.714 12.521 1.00 0.00 C ATOM 3 C PRO A 1 -8.312 11.730 12.103 1.00 0.00 C ATOM 4 O PRO A 1 -7.946 12.338 11.096 1.00 0.00 O ATOM 5 CB PRO A 1 -10.604 12.643 11.631 1.00 0.00 C ATOM 6 CG PRO A 1 -11.374 13.487 12.590 1.00 0.00 C ATOM 7 CD PRO A 1 -10.580 13.504 13.873 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.064 12.205 14.411 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.552 11.517 14.444 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.122 10.683 12.422 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -9.963 13.251 10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.268 12.081 10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -11.505 14.497 12.201 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.370 13.077 12.755 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -9.827 14.293 13.866 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -11.221 13.682 14.737 1.00 0.00 H new ATOM 17 N SER A 2 -7.474 11.056 12.883 1.00 0.00 N ATOM 18 CA SER A 2 -6.046 10.991 12.595 1.00 0.00 C ATOM 19 C SER A 2 -5.688 9.677 11.907 1.00 0.00 C ATOM 20 O SER A 2 -4.764 9.622 11.096 1.00 0.00 O ATOM 21 CB SER A 2 -5.237 11.142 13.885 1.00 0.00 C ATOM 22 OG SER A 2 -4.952 12.504 14.153 1.00 0.00 O ATOM 0 H SER A 2 -7.759 10.547 13.720 1.00 0.00 H new ATOM 0 HA SER A 2 -5.799 11.811 11.921 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.793 10.713 14.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.306 10.582 13.801 1.00 0.00 H new ATOM 0 HG SER A 2 -4.436 12.573 14.983 1.00 0.00 H new ATOM 28 N HIS A 3 -6.425 8.622 12.238 1.00 0.00 N ATOM 29 CA HIS A 3 -6.184 7.306 11.650 1.00 0.00 C ATOM 30 C HIS A 3 -7.195 6.999 10.557 1.00 0.00 C ATOM 31 O HIS A 3 -7.415 5.845 10.195 1.00 0.00 O ATOM 32 CB HIS A 3 -6.204 6.208 12.717 1.00 0.00 C ATOM 33 CG HIS A 3 -5.847 6.682 14.093 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.001 7.746 14.330 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.228 6.229 15.311 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.876 7.925 15.633 1.00 0.00 C ATOM 37 NE2 HIS A 3 -5.611 7.018 16.250 1.00 0.00 N ATOM 0 H HIS A 3 -7.193 8.651 12.909 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.191 7.328 11.202 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.198 5.762 12.745 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.510 5.420 12.425 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.893 5.401 15.507 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.275 8.684 16.112 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.705 6.919 17.261 1.00 0.00 H new ATOM 46 N SER A 4 -7.801 8.044 10.035 1.00 0.00 N ATOM 47 CA SER A 4 -8.788 7.906 8.973 1.00 0.00 C ATOM 48 C SER A 4 -8.530 8.924 7.878 1.00 0.00 C ATOM 49 O SER A 4 -8.062 10.032 8.143 1.00 0.00 O ATOM 50 CB SER A 4 -10.203 8.074 9.527 1.00 0.00 C ATOM 51 OG SER A 4 -10.276 9.174 10.419 1.00 0.00 O ATOM 0 H SER A 4 -7.629 9.006 10.328 1.00 0.00 H new ATOM 0 HA SER A 4 -8.699 6.905 8.550 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.903 8.222 8.705 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.505 7.163 10.043 1.00 0.00 H new ATOM 0 HG SER A 4 -11.192 9.260 10.758 1.00 0.00 H new ATOM 57 N GLY A 5 -8.823 8.540 6.644 1.00 0.00 N ATOM 58 CA GLY A 5 -8.599 9.429 5.532 1.00 0.00 C ATOM 59 C GLY A 5 -9.353 9.004 4.298 1.00 0.00 C ATOM 60 O GLY A 5 -9.966 7.942 4.280 1.00 0.00 O ATOM 0 H GLY A 5 -9.211 7.630 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.902 10.438 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.533 9.466 5.309 1.00 0.00 H new ATOM 64 N ALA A 6 -9.308 9.831 3.263 1.00 0.00 N ATOM 65 CA ALA A 6 -9.994 9.524 2.018 1.00 0.00 C ATOM 66 C ALA A 6 -9.000 9.376 0.873 1.00 0.00 C ATOM 67 O ALA A 6 -8.212 10.281 0.598 1.00 0.00 O ATOM 68 CB ALA A 6 -11.016 10.605 1.702 1.00 0.00 C ATOM 0 H ALA A 6 -8.804 10.718 3.262 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.515 8.574 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.523 10.364 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.748 10.661 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.511 11.566 1.603 1.00 0.00 H new ATOM 74 N ALA A 7 -9.046 8.228 0.208 1.00 0.00 N ATOM 75 CA ALA A 7 -8.155 7.955 -0.909 1.00 0.00 C ATOM 76 C ALA A 7 -8.829 7.047 -1.926 1.00 0.00 C ATOM 77 O ALA A 7 -9.726 6.275 -1.587 1.00 0.00 O ATOM 78 CB ALA A 7 -6.861 7.326 -0.415 1.00 0.00 C ATOM 0 H ALA A 7 -9.693 7.470 0.425 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.919 8.901 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.206 7.128 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.365 8.008 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.084 6.390 0.097 1.00 0.00 H new ATOM 84 N ILE A 8 -8.391 7.141 -3.173 1.00 0.00 N ATOM 85 CA ILE A 8 -8.950 6.327 -4.237 1.00 0.00 C ATOM 86 C ILE A 8 -8.246 4.973 -4.304 1.00 0.00 C ATOM 87 O ILE A 8 -7.026 4.901 -4.441 1.00 0.00 O ATOM 88 CB ILE A 8 -8.847 7.051 -5.604 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.156 6.898 -6.386 1.00 0.00 C ATOM 90 CG2 ILE A 8 -7.667 6.533 -6.416 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.996 6.244 -7.745 1.00 0.00 C ATOM 0 H ILE A 8 -7.649 7.774 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.004 6.164 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.676 8.111 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.854 6.309 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.603 7.883 -6.520 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.622 7.060 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.743 6.702 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.791 5.465 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.969 6.174 -8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.325 6.843 -8.360 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.579 5.244 -7.621 1.00 0.00 H new ATOM 103 N PHE A 9 -9.022 3.904 -4.207 1.00 0.00 N ATOM 104 CA PHE A 9 -8.470 2.555 -4.257 1.00 0.00 C ATOM 105 C PHE A 9 -9.000 1.798 -5.467 1.00 0.00 C ATOM 106 O PHE A 9 -10.175 1.911 -5.817 1.00 0.00 O ATOM 107 CB PHE A 9 -8.804 1.793 -2.973 1.00 0.00 C ATOM 108 CG PHE A 9 -7.738 0.820 -2.559 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.454 -0.290 -3.339 1.00 0.00 C ATOM 110 CD2 PHE A 9 -7.020 1.015 -1.391 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.473 -1.187 -2.961 1.00 0.00 C ATOM 112 CE2 PHE A 9 -6.038 0.122 -1.007 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.764 -0.981 -1.794 1.00 0.00 C ATOM 0 H PHE A 9 -10.035 3.942 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.387 2.636 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.964 2.509 -2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.741 1.255 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.006 -0.456 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.230 1.875 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.261 -2.048 -3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.485 0.285 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.997 -1.680 -1.497 1.00 0.00 H new ATOM 123 N GLU A 10 -8.124 1.032 -6.108 1.00 0.00 N ATOM 124 CA GLU A 10 -8.503 0.263 -7.285 1.00 0.00 C ATOM 125 C GLU A 10 -9.068 1.177 -8.367 1.00 0.00 C ATOM 126 O GLU A 10 -9.841 0.742 -9.221 1.00 0.00 O ATOM 127 CB GLU A 10 -9.532 -0.806 -6.914 1.00 0.00 C ATOM 128 CG GLU A 10 -8.912 -2.118 -6.462 1.00 0.00 C ATOM 129 CD GLU A 10 -7.970 -2.703 -7.495 1.00 0.00 C ATOM 130 OE1 GLU A 10 -6.787 -2.302 -7.515 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.414 -3.563 -8.285 1.00 0.00 O ATOM 0 H GLU A 10 -7.148 0.928 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.610 -0.226 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.171 -0.423 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.174 -0.995 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.369 -1.957 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.704 -2.836 -6.250 1.00 0.00 H new ATOM 138 N LYS A 11 -8.678 2.450 -8.325 1.00 0.00 N ATOM 139 CA LYS A 11 -9.143 3.425 -9.295 1.00 0.00 C ATOM 140 C LYS A 11 -10.644 3.628 -9.169 1.00 0.00 C ATOM 141 O LYS A 11 -11.367 3.705 -10.163 1.00 0.00 O ATOM 142 CB LYS A 11 -8.762 2.985 -10.707 1.00 0.00 C ATOM 143 CG LYS A 11 -7.365 2.385 -10.788 1.00 0.00 C ATOM 144 CD LYS A 11 -6.294 3.396 -10.399 1.00 0.00 C ATOM 145 CE LYS A 11 -6.336 4.630 -11.288 1.00 0.00 C ATOM 146 NZ LYS A 11 -6.732 5.850 -10.531 1.00 0.00 N ATOM 0 H LYS A 11 -8.039 2.826 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.659 4.381 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.487 2.252 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.822 3.842 -11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.303 1.518 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.180 2.030 -11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.433 3.692 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.311 2.930 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.356 4.785 -11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.040 4.465 -12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.446 6.697 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.764 5.857 -10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.264 5.850 -9.602 1.00 0.00 H new ATOM 160 N VAL A 12 -11.096 3.722 -7.925 1.00 0.00 N ATOM 161 CA VAL A 12 -12.501 3.925 -7.622 1.00 0.00 C ATOM 162 C VAL A 12 -12.646 4.767 -6.354 1.00 0.00 C ATOM 163 O VAL A 12 -12.397 4.285 -5.249 1.00 0.00 O ATOM 164 CB VAL A 12 -13.217 2.571 -7.449 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.498 2.713 -6.636 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.511 1.951 -8.807 1.00 0.00 C ATOM 0 H VAL A 12 -10.498 3.659 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.965 4.456 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.550 1.910 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.975 1.738 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.260 3.104 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.177 3.398 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.017 0.995 -8.669 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.151 2.620 -9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.576 1.792 -9.345 1.00 0.00 H new ATOM 176 N SER A 13 -13.034 6.031 -6.530 1.00 0.00 N ATOM 177 CA SER A 13 -13.203 6.969 -5.414 1.00 0.00 C ATOM 178 C SER A 13 -13.708 6.277 -4.151 1.00 0.00 C ATOM 179 O SER A 13 -14.729 5.590 -4.173 1.00 0.00 O ATOM 180 CB SER A 13 -14.169 8.087 -5.810 1.00 0.00 C ATOM 181 OG SER A 13 -15.126 7.626 -6.748 1.00 0.00 O ATOM 0 H SER A 13 -13.240 6.434 -7.444 1.00 0.00 H new ATOM 0 HA SER A 13 -12.222 7.388 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.677 8.464 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.610 8.921 -6.236 1.00 0.00 H new ATOM 0 HG SER A 13 -15.733 8.359 -6.984 1.00 0.00 H new ATOM 187 N GLY A 14 -12.981 6.464 -3.052 1.00 0.00 N ATOM 188 CA GLY A 14 -13.373 5.853 -1.796 1.00 0.00 C ATOM 189 C GLY A 14 -12.750 6.526 -0.587 1.00 0.00 C ATOM 190 O GLY A 14 -12.249 7.646 -0.677 1.00 0.00 O ATOM 0 H GLY A 14 -12.131 7.026 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.459 5.888 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.088 4.801 -1.806 1.00 0.00 H new ATOM 194 N ILE A 15 -12.792 5.834 0.548 1.00 0.00 N ATOM 195 CA ILE A 15 -12.240 6.358 1.792 1.00 0.00 C ATOM 196 C ILE A 15 -11.410 5.303 2.524 1.00 0.00 C ATOM 197 O ILE A 15 -11.677 4.106 2.416 1.00 0.00 O ATOM 198 CB ILE A 15 -13.354 6.874 2.727 1.00 0.00 C ATOM 199 CG1 ILE A 15 -14.107 8.033 2.073 1.00 0.00 C ATOM 200 CG2 ILE A 15 -12.766 7.314 4.057 1.00 0.00 C ATOM 201 CD1 ILE A 15 -15.037 7.604 0.961 1.00 0.00 C ATOM 0 H ILE A 15 -13.205 4.905 0.631 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.591 7.191 1.522 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.057 6.061 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -14.684 8.556 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.384 8.746 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.564 7.675 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -12.267 6.469 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.045 8.114 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.536 8.480 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.463 7.108 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -15.783 6.915 1.356 1.00 0.00 H new ATOM 213 N ILE A 16 -10.407 5.758 3.274 1.00 0.00 N ATOM 214 CA ILE A 16 -9.536 4.859 4.025 1.00 0.00 C ATOM 215 C ILE A 16 -9.737 5.008 5.531 1.00 0.00 C ATOM 216 O ILE A 16 -10.041 6.092 6.028 1.00 0.00 O ATOM 217 CB ILE A 16 -8.035 5.096 3.728 1.00 0.00 C ATOM 218 CG1 ILE A 16 -7.823 5.833 2.401 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.280 3.776 3.732 1.00 0.00 C ATOM 220 CD1 ILE A 16 -6.997 7.092 2.549 1.00 0.00 C ATOM 0 H ILE A 16 -10.178 6.747 3.377 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.815 3.856 3.701 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.640 5.733 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.332 5.164 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.793 6.090 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.226 3.959 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.378 3.304 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.694 3.118 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.882 7.568 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.498 7.778 3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.014 6.838 2.947 1.00 0.00 H new ATOM 232 N ALA A 17 -9.540 3.908 6.247 1.00 0.00 N ATOM 233 CA ALA A 17 -9.667 3.890 7.698 1.00 0.00 C ATOM 234 C ALA A 17 -8.650 2.923 8.296 1.00 0.00 C ATOM 235 O ALA A 17 -8.489 1.808 7.805 1.00 0.00 O ATOM 236 CB ALA A 17 -11.080 3.499 8.104 1.00 0.00 C ATOM 0 H ALA A 17 -9.289 3.007 5.840 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.468 4.890 8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.157 3.491 9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.788 4.220 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.308 2.506 7.716 1.00 0.00 H new ATOM 242 N ILE A 18 -7.957 3.349 9.348 1.00 0.00 N ATOM 243 CA ILE A 18 -6.958 2.505 9.982 1.00 0.00 C ATOM 244 C ILE A 18 -7.571 1.735 11.150 1.00 0.00 C ATOM 245 O ILE A 18 -8.050 2.328 12.117 1.00 0.00 O ATOM 246 CB ILE A 18 -5.747 3.351 10.458 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.522 3.077 9.583 1.00 0.00 C ATOM 248 CG2 ILE A 18 -5.429 3.096 11.922 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.305 4.120 8.505 1.00 0.00 C ATOM 0 H ILE A 18 -8.070 4.268 9.775 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.601 1.785 9.246 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.018 4.402 10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.636 3.030 10.216 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.631 2.099 9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.576 3.705 12.220 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.293 3.358 12.533 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.190 2.042 12.064 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.420 3.863 7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.175 4.151 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.164 5.097 8.967 1.00 0.00 H new ATOM 261 N ASN A 19 -7.564 0.411 11.045 1.00 0.00 N ATOM 262 CA ASN A 19 -8.124 -0.440 12.080 1.00 0.00 C ATOM 263 C ASN A 19 -7.033 -1.000 12.986 1.00 0.00 C ATOM 264 O ASN A 19 -6.497 -2.079 12.734 1.00 0.00 O ATOM 265 CB ASN A 19 -8.920 -1.585 11.452 1.00 0.00 C ATOM 266 CG ASN A 19 -10.029 -2.083 12.357 1.00 0.00 C ATOM 267 OD1 ASN A 19 -11.204 -1.791 12.136 1.00 0.00 O ATOM 268 ND2 ASN A 19 -9.660 -2.840 13.384 1.00 0.00 N ATOM 0 H ASN A 19 -7.174 -0.095 10.249 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.792 0.170 12.689 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.349 -1.250 10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.245 -2.409 11.222 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.363 -3.204 14.027 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.674 -3.057 13.529 1.00 0.00 H new ATOM 275 N GLU A 20 -6.711 -0.263 14.044 1.00 0.00 N ATOM 276 CA GLU A 20 -5.688 -0.692 14.991 1.00 0.00 C ATOM 277 C GLU A 20 -6.314 -1.429 16.171 1.00 0.00 C ATOM 278 O GLU A 20 -5.781 -1.407 17.280 1.00 0.00 O ATOM 279 CB GLU A 20 -4.885 0.510 15.497 1.00 0.00 C ATOM 280 CG GLU A 20 -4.642 1.574 14.439 1.00 0.00 C ATOM 281 CD GLU A 20 -3.783 2.716 14.947 1.00 0.00 C ATOM 282 OE1 GLU A 20 -2.744 2.439 15.583 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.149 3.886 14.709 1.00 0.00 O ATOM 0 H GLU A 20 -7.143 0.634 14.267 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.016 -1.374 14.471 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.413 0.960 16.337 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.924 0.160 15.875 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.159 1.118 13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.600 1.968 14.099 1.00 0.00 H new ATOM 290 N ASP A 21 -7.442 -2.091 15.925 1.00 0.00 N ATOM 291 CA ASP A 21 -8.127 -2.843 16.967 1.00 0.00 C ATOM 292 C ASP A 21 -7.390 -4.146 17.230 1.00 0.00 C ATOM 293 O ASP A 21 -7.320 -4.618 18.365 1.00 0.00 O ATOM 294 CB ASP A 21 -9.574 -3.128 16.559 1.00 0.00 C ATOM 295 CG ASP A 21 -10.528 -3.068 17.736 1.00 0.00 C ATOM 296 OD1 ASP A 21 -10.248 -3.722 18.762 1.00 0.00 O ATOM 297 OD2 ASP A 21 -11.556 -2.366 17.631 1.00 0.00 O ATOM 0 H ASP A 21 -7.899 -2.121 15.013 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.138 -2.248 17.880 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.885 -2.405 15.805 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.631 -4.114 16.098 1.00 0.00 H new ATOM 302 N VAL A 22 -6.828 -4.711 16.169 1.00 0.00 N ATOM 303 CA VAL A 22 -6.077 -5.950 16.272 1.00 0.00 C ATOM 304 C VAL A 22 -4.800 -5.719 17.078 1.00 0.00 C ATOM 305 O VAL A 22 -4.439 -4.573 17.347 1.00 0.00 O ATOM 306 CB VAL A 22 -5.731 -6.505 14.871 1.00 0.00 C ATOM 307 CG1 VAL A 22 -4.654 -5.664 14.194 1.00 0.00 C ATOM 308 CG2 VAL A 22 -5.309 -7.964 14.959 1.00 0.00 C ATOM 0 H VAL A 22 -6.880 -4.327 15.225 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.696 -6.686 16.785 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.629 -6.448 14.256 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.432 -6.079 13.211 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.009 -4.639 14.083 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.750 -5.671 14.803 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.070 -8.334 13.962 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.431 -8.051 15.599 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.124 -8.554 15.380 1.00 0.00 H new ATOM 318 N SER A 23 -4.119 -6.797 17.468 1.00 0.00 N ATOM 319 CA SER A 23 -2.886 -6.672 18.246 1.00 0.00 C ATOM 320 C SER A 23 -1.987 -5.580 17.660 1.00 0.00 C ATOM 321 O SER A 23 -1.828 -4.517 18.261 1.00 0.00 O ATOM 322 CB SER A 23 -2.146 -8.010 18.305 1.00 0.00 C ATOM 323 OG SER A 23 -2.478 -8.727 19.481 1.00 0.00 O ATOM 0 H SER A 23 -4.396 -7.757 17.261 1.00 0.00 H new ATOM 0 HA SER A 23 -3.151 -6.385 19.264 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.398 -8.607 17.428 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.071 -7.836 18.274 1.00 0.00 H new ATOM 0 HG SER A 23 -1.993 -9.579 19.493 1.00 0.00 H new ATOM 329 N PRO A 24 -1.399 -5.810 16.470 1.00 0.00 N ATOM 330 CA PRO A 24 -0.542 -4.818 15.823 1.00 0.00 C ATOM 331 C PRO A 24 -1.359 -3.656 15.245 1.00 0.00 C ATOM 332 O PRO A 24 -1.647 -2.687 15.947 1.00 0.00 O ATOM 333 CB PRO A 24 0.156 -5.620 14.722 1.00 0.00 C ATOM 334 CG PRO A 24 -0.800 -6.714 14.388 1.00 0.00 C ATOM 335 CD PRO A 24 -1.532 -7.037 15.662 1.00 0.00 C ATOM 0 HA PRO A 24 0.158 -4.348 16.514 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.366 -4.998 13.852 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.110 -6.019 15.067 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.495 -6.399 13.609 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.272 -7.590 14.010 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.578 -7.278 15.471 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.093 -7.897 16.167 1.00 0.00 H new ATOM 343 N ALA A 25 -1.738 -3.754 13.968 1.00 0.00 N ATOM 344 CA ALA A 25 -2.523 -2.716 13.314 1.00 0.00 C ATOM 345 C ALA A 25 -2.777 -3.066 11.852 1.00 0.00 C ATOM 346 O ALA A 25 -2.053 -3.868 11.262 1.00 0.00 O ATOM 347 CB ALA A 25 -1.810 -1.384 13.417 1.00 0.00 C ATOM 0 H ALA A 25 -1.510 -4.547 13.368 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.486 -2.644 13.819 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.405 -0.614 12.925 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.676 -1.123 14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.836 -1.454 12.933 1.00 0.00 H new ATOM 353 N GLU A 26 -3.805 -2.458 11.270 1.00 0.00 N ATOM 354 CA GLU A 26 -4.145 -2.707 9.877 1.00 0.00 C ATOM 355 C GLU A 26 -4.809 -1.490 9.238 1.00 0.00 C ATOM 356 O GLU A 26 -5.313 -0.606 9.931 1.00 0.00 O ATOM 357 CB GLU A 26 -5.068 -3.924 9.761 1.00 0.00 C ATOM 358 CG GLU A 26 -4.724 -5.048 10.726 1.00 0.00 C ATOM 359 CD GLU A 26 -5.723 -6.188 10.674 1.00 0.00 C ATOM 360 OE1 GLU A 26 -6.819 -5.992 10.108 1.00 0.00 O ATOM 361 OE2 GLU A 26 -5.409 -7.276 11.200 1.00 0.00 O ATOM 0 H GLU A 26 -4.415 -1.791 11.742 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.217 -2.908 9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.096 -3.607 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.023 -4.306 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.730 -5.430 10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.684 -4.651 11.740 1.00 0.00 H new ATOM 368 N LEU A 27 -4.811 -1.461 7.908 1.00 0.00 N ATOM 369 CA LEU A 27 -5.415 -0.374 7.157 1.00 0.00 C ATOM 370 C LEU A 27 -6.613 -0.891 6.364 1.00 0.00 C ATOM 371 O LEU A 27 -6.478 -1.798 5.543 1.00 0.00 O ATOM 372 CB LEU A 27 -4.390 0.250 6.207 1.00 0.00 C ATOM 373 CG LEU A 27 -4.919 1.403 5.352 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.822 2.426 5.099 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.475 0.879 4.037 1.00 0.00 C ATOM 0 H LEU A 27 -4.395 -2.189 7.327 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.753 0.390 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.545 0.611 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.009 -0.528 5.545 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.727 1.893 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.216 3.239 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.469 2.824 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.993 1.949 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.847 1.713 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.687 0.364 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.291 0.184 4.238 1.00 0.00 H new ATOM 387 N THR A 28 -7.786 -0.323 6.621 1.00 0.00 N ATOM 388 CA THR A 28 -9.004 -0.743 5.935 1.00 0.00 C ATOM 389 C THR A 28 -9.573 0.381 5.077 1.00 0.00 C ATOM 390 O THR A 28 -9.733 1.507 5.541 1.00 0.00 O ATOM 391 CB THR A 28 -10.052 -1.193 6.954 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.445 -1.871 8.041 1.00 0.00 O ATOM 393 CG2 THR A 28 -11.104 -2.111 6.368 1.00 0.00 C ATOM 0 H THR A 28 -7.920 0.428 7.298 1.00 0.00 H new ATOM 0 HA THR A 28 -8.748 -1.577 5.281 1.00 0.00 H new ATOM 0 HB THR A 28 -10.538 -0.276 7.287 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.134 -2.148 8.680 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.815 -2.392 7.145 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.629 -1.596 5.564 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.626 -3.007 5.973 1.00 0.00 H new ATOM 401 N TRP A 29 -9.882 0.065 3.825 1.00 0.00 N ATOM 402 CA TRP A 29 -10.440 1.049 2.903 1.00 0.00 C ATOM 403 C TRP A 29 -11.692 0.517 2.215 1.00 0.00 C ATOM 404 O TRP A 29 -11.763 -0.655 1.852 1.00 0.00 O ATOM 405 CB TRP A 29 -9.412 1.456 1.839 1.00 0.00 C ATOM 406 CG TRP A 29 -10.012 2.272 0.729 1.00 0.00 C ATOM 407 CD1 TRP A 29 -9.911 3.623 0.555 1.00 0.00 C ATOM 408 CD2 TRP A 29 -10.819 1.787 -0.353 1.00 0.00 C ATOM 409 NE1 TRP A 29 -10.617 4.010 -0.559 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.173 2.899 -1.141 1.00 0.00 C ATOM 411 CE3 TRP A 29 -11.277 0.521 -0.733 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -11.961 2.780 -2.284 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.060 0.408 -1.867 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.393 1.532 -2.631 1.00 0.00 C ATOM 0 H TRP A 29 -9.756 -0.864 3.424 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.707 1.924 3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.613 2.027 2.312 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.957 0.559 1.419 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.357 4.290 1.199 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.712 4.967 -0.898 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.023 -0.353 -0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.221 3.645 -2.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.421 -0.564 -2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.004 1.410 -3.513 1.00 0.00 H new ATOM 425 N ARG A 30 -12.667 1.396 2.022 1.00 0.00 N ATOM 426 CA ARG A 30 -13.910 1.026 1.350 1.00 0.00 C ATOM 427 C ARG A 30 -14.322 2.102 0.362 1.00 0.00 C ATOM 428 O ARG A 30 -14.002 3.278 0.541 1.00 0.00 O ATOM 429 CB ARG A 30 -15.047 0.820 2.348 1.00 0.00 C ATOM 430 CG ARG A 30 -15.079 -0.565 2.958 1.00 0.00 C ATOM 431 CD ARG A 30 -16.116 -0.661 4.066 1.00 0.00 C ATOM 432 NE ARG A 30 -17.387 -1.197 3.580 1.00 0.00 N ATOM 433 CZ ARG A 30 -17.858 -2.407 3.885 1.00 0.00 C ATOM 434 NH1 ARG A 30 -17.170 -3.223 4.675 1.00 0.00 N ATOM 435 NH2 ARG A 30 -19.025 -2.802 3.396 1.00 0.00 N ATOM 0 H ARG A 30 -12.623 2.370 2.320 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.723 0.089 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.956 1.557 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.997 1.009 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.302 -1.300 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.095 -0.811 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.736 -1.298 4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.280 0.327 4.496 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.950 -0.607 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.271 -2.927 5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.540 -4.146 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.560 -2.181 2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -19.388 -3.727 3.627 1.00 0.00 H new ATOM 449 N SER A 31 -15.053 1.703 -0.670 1.00 0.00 N ATOM 450 CA SER A 31 -15.527 2.655 -1.668 1.00 0.00 C ATOM 451 C SER A 31 -16.302 3.781 -0.986 1.00 0.00 C ATOM 452 O SER A 31 -16.688 3.657 0.177 1.00 0.00 O ATOM 453 CB SER A 31 -16.415 1.954 -2.698 1.00 0.00 C ATOM 454 OG SER A 31 -16.902 2.872 -3.661 1.00 0.00 O ATOM 0 H SER A 31 -15.329 0.736 -0.838 1.00 0.00 H new ATOM 0 HA SER A 31 -14.665 3.077 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.848 1.167 -3.195 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.253 1.473 -2.193 1.00 0.00 H new ATOM 0 HG SER A 31 -17.465 2.399 -4.309 1.00 0.00 H new ATOM 460 N THR A 32 -16.531 4.874 -1.703 1.00 0.00 N ATOM 461 CA THR A 32 -17.263 6.002 -1.142 1.00 0.00 C ATOM 462 C THR A 32 -18.695 5.607 -0.832 1.00 0.00 C ATOM 463 O THR A 32 -19.320 6.141 0.084 1.00 0.00 O ATOM 464 CB THR A 32 -17.244 7.189 -2.093 1.00 0.00 C ATOM 465 OG1 THR A 32 -16.076 7.181 -2.893 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.310 8.523 -1.384 1.00 0.00 C ATOM 0 H THR A 32 -16.223 5.003 -2.667 1.00 0.00 H new ATOM 0 HA THR A 32 -16.770 6.294 -0.215 1.00 0.00 H new ATOM 0 HB THR A 32 -18.137 7.077 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.181 6.531 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.293 9.327 -2.120 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.231 8.582 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.454 8.623 -0.717 1.00 0.00 H new ATOM 474 N ASP A 33 -19.200 4.660 -1.604 1.00 0.00 N ATOM 475 CA ASP A 33 -20.553 4.164 -1.431 1.00 0.00 C ATOM 476 C ASP A 33 -20.864 3.130 -2.503 1.00 0.00 C ATOM 477 O ASP A 33 -21.927 3.160 -3.124 1.00 0.00 O ATOM 478 CB ASP A 33 -21.565 5.313 -1.495 1.00 0.00 C ATOM 479 CG ASP A 33 -22.660 5.177 -0.456 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.130 4.041 -0.234 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.048 6.206 0.136 1.00 0.00 O ATOM 0 H ASP A 33 -18.686 4.216 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 33 -20.629 3.697 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.045 6.260 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.012 5.345 -2.488 1.00 0.00 H new ATOM 486 N GLY A 34 -19.921 2.221 -2.722 1.00 0.00 N ATOM 487 CA GLY A 34 -20.109 1.196 -3.734 1.00 0.00 C ATOM 488 C GLY A 34 -20.117 -0.204 -3.157 1.00 0.00 C ATOM 489 O GLY A 34 -19.751 -1.162 -3.837 1.00 0.00 O ATOM 0 H GLY A 34 -19.034 2.174 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.050 1.375 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.314 1.274 -4.476 1.00 0.00 H new ATOM 493 N ASP A 35 -20.533 -0.322 -1.900 1.00 0.00 N ATOM 494 CA ASP A 35 -20.584 -1.617 -1.226 1.00 0.00 C ATOM 495 C ASP A 35 -19.311 -2.412 -1.482 1.00 0.00 C ATOM 496 O ASP A 35 -19.328 -3.642 -1.543 1.00 0.00 O ATOM 497 CB ASP A 35 -21.806 -2.412 -1.688 1.00 0.00 C ATOM 498 CG ASP A 35 -22.998 -2.226 -0.770 1.00 0.00 C ATOM 499 OD1 ASP A 35 -23.107 -2.977 0.222 1.00 0.00 O ATOM 500 OD2 ASP A 35 -23.823 -1.328 -1.043 1.00 0.00 O ATOM 0 H ASP A 35 -20.840 0.463 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.667 -1.438 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.077 -2.103 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.550 -3.470 -1.737 1.00 0.00 H new ATOM 505 N LYS A 36 -18.208 -1.692 -1.627 1.00 0.00 N ATOM 506 CA LYS A 36 -16.917 -2.302 -1.872 1.00 0.00 C ATOM 507 C LYS A 36 -16.025 -2.157 -0.648 1.00 0.00 C ATOM 508 O LYS A 36 -16.252 -1.287 0.192 1.00 0.00 O ATOM 509 CB LYS A 36 -16.246 -1.668 -3.092 1.00 0.00 C ATOM 510 CG LYS A 36 -16.528 -2.403 -4.392 1.00 0.00 C ATOM 511 CD LYS A 36 -15.405 -3.366 -4.742 1.00 0.00 C ATOM 512 CE LYS A 36 -15.254 -3.522 -6.246 1.00 0.00 C ATOM 513 NZ LYS A 36 -16.525 -3.955 -6.891 1.00 0.00 N ATOM 0 H LYS A 36 -18.186 -0.673 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.069 -3.362 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.584 -0.636 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.169 -1.637 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.466 -2.952 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.655 -1.681 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.469 -3.005 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.605 -4.339 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.932 -2.575 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.472 -4.251 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.335 -4.245 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.926 -4.757 -6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.202 -3.166 -6.888 1.00 0.00 H new ATOM 527 N VAL A 37 -15.016 -3.012 -0.546 1.00 0.00 N ATOM 528 CA VAL A 37 -14.105 -2.968 0.584 1.00 0.00 C ATOM 529 C VAL A 37 -12.720 -3.477 0.203 1.00 0.00 C ATOM 530 O VAL A 37 -12.569 -4.302 -0.698 1.00 0.00 O ATOM 531 CB VAL A 37 -14.621 -3.810 1.771 1.00 0.00 C ATOM 532 CG1 VAL A 37 -14.037 -3.310 3.085 1.00 0.00 C ATOM 533 CG2 VAL A 37 -16.143 -3.815 1.821 1.00 0.00 C ATOM 0 H VAL A 37 -14.810 -3.740 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.044 -1.921 0.882 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.289 -4.837 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.415 -3.919 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.950 -3.382 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.327 -2.271 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -16.477 -4.416 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -16.507 -2.794 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -16.536 -4.239 0.897 1.00 0.00 H new ATOM 543 N HIS A 38 -11.719 -2.988 0.919 1.00 0.00 N ATOM 544 CA HIS A 38 -10.336 -3.385 0.700 1.00 0.00 C ATOM 545 C HIS A 38 -9.540 -3.164 1.979 1.00 0.00 C ATOM 546 O HIS A 38 -9.390 -2.033 2.437 1.00 0.00 O ATOM 547 CB HIS A 38 -9.722 -2.584 -0.450 1.00 0.00 C ATOM 548 CG HIS A 38 -8.788 -3.385 -1.304 1.00 0.00 C ATOM 549 ND1 HIS A 38 -8.618 -3.156 -2.653 1.00 0.00 N ATOM 550 CD2 HIS A 38 -7.970 -4.418 -0.994 1.00 0.00 C ATOM 551 CE1 HIS A 38 -7.737 -4.014 -3.136 1.00 0.00 C ATOM 552 NE2 HIS A 38 -7.328 -4.790 -2.150 1.00 0.00 N ATOM 0 H HIS A 38 -11.842 -2.306 1.667 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.307 -4.441 0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.523 -2.188 -1.074 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -9.184 -1.729 -0.040 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -9.098 -2.436 -3.194 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.845 -4.866 -0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.408 -4.071 -4.163 1.00 0.00 H new ATOM 561 N THR A 39 -9.048 -4.248 2.565 1.00 0.00 N ATOM 562 CA THR A 39 -8.292 -4.163 3.800 1.00 0.00 C ATOM 563 C THR A 39 -6.956 -4.887 3.690 1.00 0.00 C ATOM 564 O THR A 39 -6.870 -5.974 3.117 1.00 0.00 O ATOM 565 CB THR A 39 -9.103 -4.751 4.955 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.448 -4.311 4.898 1.00 0.00 O ATOM 567 CG2 THR A 39 -8.556 -4.386 6.317 1.00 0.00 C ATOM 0 H THR A 39 -9.161 -5.195 2.202 1.00 0.00 H new ATOM 0 HA THR A 39 -8.091 -3.109 3.993 1.00 0.00 H new ATOM 0 HB THR A 39 -9.037 -5.832 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.013 -4.919 5.419 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.178 -4.835 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.535 -4.757 6.411 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.560 -3.302 6.432 1.00 0.00 H new ATOM 575 N VAL A 40 -5.918 -4.282 4.255 1.00 0.00 N ATOM 576 CA VAL A 40 -4.587 -4.872 4.235 1.00 0.00 C ATOM 577 C VAL A 40 -3.983 -4.881 5.637 1.00 0.00 C ATOM 578 O VAL A 40 -4.159 -3.935 6.405 1.00 0.00 O ATOM 579 CB VAL A 40 -3.641 -4.126 3.265 1.00 0.00 C ATOM 580 CG1 VAL A 40 -4.363 -3.782 1.971 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.071 -2.873 3.913 1.00 0.00 C ATOM 0 H VAL A 40 -5.973 -3.383 4.733 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.695 -5.897 3.880 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.809 -4.789 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.681 -3.258 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.708 -4.698 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.218 -3.143 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.409 -2.368 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.886 -2.204 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.509 -3.148 4.805 1.00 0.00 H new ATOM 591 N VAL A 41 -3.274 -5.952 5.962 1.00 0.00 N ATOM 592 CA VAL A 41 -2.646 -6.087 7.270 1.00 0.00 C ATOM 593 C VAL A 41 -1.130 -6.127 7.143 1.00 0.00 C ATOM 594 O VAL A 41 -0.589 -6.851 6.308 1.00 0.00 O ATOM 595 CB VAL A 41 -3.122 -7.361 7.992 1.00 0.00 C ATOM 596 CG1 VAL A 41 -2.614 -7.388 9.427 1.00 0.00 C ATOM 597 CG2 VAL A 41 -4.640 -7.461 7.951 1.00 0.00 C ATOM 0 H VAL A 41 -3.118 -6.743 5.337 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.939 -5.216 7.856 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.710 -8.226 7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.962 -8.296 9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.524 -7.369 9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.992 -6.518 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.959 -8.367 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.075 -6.592 8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.974 -7.496 6.914 1.00 0.00 H new ATOM 607 N LEU A 42 -0.445 -5.348 7.975 1.00 0.00 N ATOM 608 CA LEU A 42 1.013 -5.301 7.947 1.00 0.00 C ATOM 609 C LEU A 42 1.602 -6.704 8.014 1.00 0.00 C ATOM 610 O LEU A 42 2.658 -6.977 7.443 1.00 0.00 O ATOM 611 CB LEU A 42 1.536 -4.455 9.100 1.00 0.00 C ATOM 612 CG LEU A 42 1.909 -3.021 8.715 1.00 0.00 C ATOM 613 CD1 LEU A 42 1.318 -2.024 9.700 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.421 -2.864 8.635 1.00 0.00 C ATOM 0 H LEU A 42 -0.874 -4.743 8.675 1.00 0.00 H new ATOM 0 HA LEU A 42 1.322 -4.845 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.779 -4.422 9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.413 -4.944 9.525 1.00 0.00 H new ATOM 0 HG LEU A 42 1.489 -2.814 7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.597 -1.012 9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.232 -2.115 9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.701 -2.229 10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.666 -1.838 8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.863 -3.095 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.818 -3.546 7.883 1.00 0.00 H new ATOM 626 N SER A 43 0.905 -7.596 8.705 1.00 0.00 N ATOM 627 CA SER A 43 1.349 -8.981 8.835 1.00 0.00 C ATOM 628 C SER A 43 1.749 -9.556 7.474 1.00 0.00 C ATOM 629 O SER A 43 2.574 -10.466 7.392 1.00 0.00 O ATOM 630 CB SER A 43 0.246 -9.838 9.460 1.00 0.00 C ATOM 631 OG SER A 43 -0.127 -9.340 10.733 1.00 0.00 O ATOM 0 H SER A 43 0.030 -7.387 9.185 1.00 0.00 H new ATOM 0 HA SER A 43 2.223 -8.996 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.624 -9.853 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.591 -10.867 9.556 1.00 0.00 H new ATOM 0 HG SER A 43 -0.834 -9.904 11.111 1.00 0.00 H new ATOM 637 N THR A 44 1.168 -9.005 6.408 1.00 0.00 N ATOM 638 CA THR A 44 1.469 -9.445 5.053 1.00 0.00 C ATOM 639 C THR A 44 2.309 -8.391 4.339 1.00 0.00 C ATOM 640 O THR A 44 3.033 -8.688 3.391 1.00 0.00 O ATOM 641 CB THR A 44 0.171 -9.701 4.285 1.00 0.00 C ATOM 642 OG1 THR A 44 0.400 -10.552 3.176 1.00 0.00 O ATOM 643 CG2 THR A 44 -0.489 -8.439 3.770 1.00 0.00 C ATOM 0 H THR A 44 0.484 -8.250 6.461 1.00 0.00 H new ATOM 0 HA THR A 44 2.037 -10.374 5.098 1.00 0.00 H new ATOM 0 HB THR A 44 -0.498 -10.167 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.443 -10.704 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.403 -8.698 3.236 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.731 -7.787 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.192 -7.922 3.094 1.00 0.00 H new ATOM 651 N ILE A 45 2.191 -7.156 4.814 1.00 0.00 N ATOM 652 CA ILE A 45 2.922 -6.028 4.252 1.00 0.00 C ATOM 653 C ILE A 45 3.840 -5.409 5.308 1.00 0.00 C ATOM 654 O ILE A 45 3.379 -4.964 6.356 1.00 0.00 O ATOM 655 CB ILE A 45 1.947 -4.962 3.678 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.567 -3.552 3.705 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.611 -4.982 4.413 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.318 -2.779 4.986 1.00 0.00 C ATOM 0 H ILE A 45 1.587 -6.910 5.598 1.00 0.00 H new ATOM 0 HA ILE A 45 3.537 -6.395 3.430 1.00 0.00 H new ATOM 0 HB ILE A 45 1.763 -5.222 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.643 -3.639 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.171 -2.979 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.049 -4.225 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.152 -5.965 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.774 -4.770 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.790 -1.799 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.245 -2.656 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.740 -3.326 5.829 1.00 0.00 H new ATOM 670 N ASP A 46 5.145 -5.406 5.039 1.00 0.00 N ATOM 671 CA ASP A 46 6.109 -4.865 5.995 1.00 0.00 C ATOM 672 C ASP A 46 6.840 -3.638 5.465 1.00 0.00 C ATOM 673 O ASP A 46 7.972 -3.364 5.862 1.00 0.00 O ATOM 674 CB ASP A 46 7.120 -5.941 6.393 1.00 0.00 C ATOM 675 CG ASP A 46 7.992 -5.514 7.558 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.518 -4.714 8.392 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.148 -5.980 7.636 1.00 0.00 O ATOM 0 H ASP A 46 5.555 -5.767 4.178 1.00 0.00 H new ATOM 0 HA ASP A 46 5.541 -4.548 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.588 -6.855 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.752 -6.176 5.537 1.00 0.00 H new ATOM 682 N LYS A 47 6.185 -2.892 4.592 1.00 0.00 N ATOM 683 CA LYS A 47 6.778 -1.675 4.037 1.00 0.00 C ATOM 684 C LYS A 47 5.707 -0.708 3.543 1.00 0.00 C ATOM 685 O LYS A 47 4.686 -1.117 2.990 1.00 0.00 O ATOM 686 CB LYS A 47 7.754 -1.990 2.896 1.00 0.00 C ATOM 687 CG LYS A 47 8.371 -3.377 2.962 1.00 0.00 C ATOM 688 CD LYS A 47 9.361 -3.597 1.829 1.00 0.00 C ATOM 689 CE LYS A 47 9.811 -5.048 1.756 1.00 0.00 C ATOM 690 NZ LYS A 47 10.894 -5.345 2.733 1.00 0.00 N ATOM 0 H LYS A 47 5.247 -3.101 4.250 1.00 0.00 H new ATOM 0 HA LYS A 47 7.333 -1.201 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.230 -1.884 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.554 -1.249 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.876 -3.507 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.584 -4.130 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.903 -3.309 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.228 -2.953 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.960 -5.702 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.162 -5.269 0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.172 -6.344 2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.716 -4.740 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.552 -5.159 3.697 1.00 0.00 H new ATOM 704 N LEU A 48 5.960 0.582 3.745 1.00 0.00 N ATOM 705 CA LEU A 48 5.036 1.629 3.323 1.00 0.00 C ATOM 706 C LEU A 48 5.775 2.695 2.514 1.00 0.00 C ATOM 707 O LEU A 48 6.668 3.368 3.031 1.00 0.00 O ATOM 708 CB LEU A 48 4.374 2.275 4.542 1.00 0.00 C ATOM 709 CG LEU A 48 3.170 3.163 4.227 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.893 2.337 4.205 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.063 4.294 5.240 1.00 0.00 C ATOM 0 H LEU A 48 6.804 0.929 4.202 1.00 0.00 H new ATOM 0 HA LEU A 48 4.267 1.177 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.057 1.487 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.119 2.872 5.068 1.00 0.00 H new ATOM 0 HG LEU A 48 3.311 3.602 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.045 2.984 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.973 1.564 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.745 1.871 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.201 4.916 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.943 3.877 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.968 4.900 5.206 1.00 0.00 H new ATOM 723 N GLN A 49 5.402 2.847 1.248 1.00 0.00 N ATOM 724 CA GLN A 49 6.033 3.833 0.374 1.00 0.00 C ATOM 725 C GLN A 49 5.120 5.039 0.175 1.00 0.00 C ATOM 726 O GLN A 49 3.924 4.889 -0.075 1.00 0.00 O ATOM 727 CB GLN A 49 6.362 3.207 -0.981 1.00 0.00 C ATOM 728 CG GLN A 49 7.353 4.018 -1.800 1.00 0.00 C ATOM 729 CD GLN A 49 6.763 5.319 -2.308 1.00 0.00 C ATOM 730 OE1 GLN A 49 5.553 5.431 -2.502 1.00 0.00 O ATOM 731 NE2 GLN A 49 7.618 6.310 -2.527 1.00 0.00 N ATOM 0 H GLN A 49 4.665 2.300 0.802 1.00 0.00 H new ATOM 0 HA GLN A 49 6.956 4.166 0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.767 2.208 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.441 3.091 -1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.231 4.235 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.692 3.422 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.614 6.173 -2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.280 7.209 -2.870 1.00 0.00 H new ATOM 740 N ALA A 50 5.690 6.234 0.285 1.00 0.00 N ATOM 741 CA ALA A 50 4.925 7.464 0.116 1.00 0.00 C ATOM 742 C ALA A 50 5.708 8.486 -0.701 1.00 0.00 C ATOM 743 O ALA A 50 6.922 8.366 -0.864 1.00 0.00 O ATOM 744 CB ALA A 50 4.551 8.043 1.472 1.00 0.00 C ATOM 0 H ALA A 50 6.679 6.377 0.490 1.00 0.00 H new ATOM 0 HA ALA A 50 4.011 7.225 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.980 8.961 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.947 7.321 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.457 8.262 2.036 1.00 0.00 H new ATOM 750 N THR A 51 5.005 9.491 -1.214 1.00 0.00 N ATOM 751 CA THR A 51 5.637 10.533 -2.015 1.00 0.00 C ATOM 752 C THR A 51 6.311 11.572 -1.120 1.00 0.00 C ATOM 753 O THR A 51 6.027 11.652 0.075 1.00 0.00 O ATOM 754 CB THR A 51 4.605 11.211 -2.922 1.00 0.00 C ATOM 755 OG1 THR A 51 3.293 10.779 -2.604 1.00 0.00 O ATOM 756 CG2 THR A 51 4.833 10.937 -4.393 1.00 0.00 C ATOM 0 H THR A 51 3.999 9.606 -1.089 1.00 0.00 H new ATOM 0 HA THR A 51 6.400 10.065 -2.637 1.00 0.00 H new ATOM 0 HB THR A 51 4.722 12.280 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.656 11.497 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.069 11.445 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.818 11.304 -4.683 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.777 9.864 -4.576 1.00 0.00 H new ATOM 764 N PRO A 52 7.217 12.385 -1.691 1.00 0.00 N ATOM 765 CA PRO A 52 7.932 13.420 -0.940 1.00 0.00 C ATOM 766 C PRO A 52 7.030 14.592 -0.567 1.00 0.00 C ATOM 767 O PRO A 52 5.957 14.771 -1.143 1.00 0.00 O ATOM 768 CB PRO A 52 9.023 13.872 -1.912 1.00 0.00 C ATOM 769 CG PRO A 52 8.465 13.588 -3.263 1.00 0.00 C ATOM 770 CD PRO A 52 7.615 12.356 -3.112 1.00 0.00 C ATOM 0 HA PRO A 52 8.316 13.045 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.247 14.932 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.953 13.328 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.873 14.428 -3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.263 13.425 -3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.748 12.383 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.173 11.451 -3.354 1.00 0.00 H new ATOM 778 N ALA A 53 7.473 15.389 0.400 1.00 0.00 N ATOM 779 CA ALA A 53 6.706 16.543 0.851 1.00 0.00 C ATOM 780 C ALA A 53 6.559 17.574 -0.264 1.00 0.00 C ATOM 781 O ALA A 53 5.561 18.291 -0.331 1.00 0.00 O ATOM 782 CB ALA A 53 7.366 17.172 2.069 1.00 0.00 C ATOM 0 H ALA A 53 8.360 15.256 0.886 1.00 0.00 H new ATOM 0 HA ALA A 53 5.709 16.200 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.782 18.033 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.415 16.440 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.375 17.494 1.810 1.00 0.00 H new ATOM 788 N SER A 54 7.558 17.641 -1.137 1.00 0.00 N ATOM 789 CA SER A 54 7.539 18.585 -2.249 1.00 0.00 C ATOM 790 C SER A 54 6.590 18.119 -3.348 1.00 0.00 C ATOM 791 O SER A 54 6.092 18.924 -4.135 1.00 0.00 O ATOM 792 CB SER A 54 8.948 18.765 -2.818 1.00 0.00 C ATOM 793 OG SER A 54 9.910 18.848 -1.781 1.00 0.00 O ATOM 0 H SER A 54 8.391 17.053 -1.097 1.00 0.00 H new ATOM 0 HA SER A 54 7.182 19.543 -1.870 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.188 17.929 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.985 19.669 -3.426 1.00 0.00 H new ATOM 0 HG SER A 54 10.802 18.961 -2.171 1.00 0.00 H new ATOM 799 N SER A 55 6.345 16.815 -3.396 1.00 0.00 N ATOM 800 CA SER A 55 5.456 16.240 -4.398 1.00 0.00 C ATOM 801 C SER A 55 4.024 16.725 -4.198 1.00 0.00 C ATOM 802 O SER A 55 3.669 17.220 -3.128 1.00 0.00 O ATOM 803 CB SER A 55 5.503 14.712 -4.335 1.00 0.00 C ATOM 804 OG SER A 55 6.412 14.191 -5.290 1.00 0.00 O ATOM 0 H SER A 55 6.750 16.135 -2.752 1.00 0.00 H new ATOM 0 HA SER A 55 5.797 16.567 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.799 14.395 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.508 14.306 -4.516 1.00 0.00 H new ATOM 0 HG SER A 55 6.034 13.383 -5.695 1.00 0.00 H new ATOM 810 N GLU A 56 3.206 16.580 -5.235 1.00 0.00 N ATOM 811 CA GLU A 56 1.812 17.003 -5.174 1.00 0.00 C ATOM 812 C GLU A 56 0.877 15.798 -5.196 1.00 0.00 C ATOM 813 O GLU A 56 -0.191 15.818 -4.585 1.00 0.00 O ATOM 814 CB GLU A 56 1.488 17.936 -6.343 1.00 0.00 C ATOM 815 CG GLU A 56 1.846 19.389 -6.079 1.00 0.00 C ATOM 816 CD GLU A 56 1.817 20.234 -7.337 1.00 0.00 C ATOM 817 OE1 GLU A 56 2.715 20.063 -8.188 1.00 0.00 O ATOM 818 OE2 GLU A 56 0.896 21.068 -7.471 1.00 0.00 O ATOM 0 H GLU A 56 3.484 16.173 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 56 1.662 17.540 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.023 17.594 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.423 17.868 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.150 19.804 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.840 19.440 -5.635 1.00 0.00 H new ATOM 825 N LYS A 57 1.286 14.752 -5.907 1.00 0.00 N ATOM 826 CA LYS A 57 0.485 13.539 -6.011 1.00 0.00 C ATOM 827 C LYS A 57 0.376 12.838 -4.660 1.00 0.00 C ATOM 828 O LYS A 57 1.049 11.837 -4.412 1.00 0.00 O ATOM 829 CB LYS A 57 1.093 12.591 -7.048 1.00 0.00 C ATOM 830 CG LYS A 57 0.374 12.615 -8.388 1.00 0.00 C ATOM 831 CD LYS A 57 -1.037 12.060 -8.273 1.00 0.00 C ATOM 832 CE LYS A 57 -1.038 10.540 -8.247 1.00 0.00 C ATOM 833 NZ LYS A 57 -2.150 9.972 -9.057 1.00 0.00 N ATOM 0 H LYS A 57 2.167 14.721 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.518 13.821 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.139 12.856 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.076 11.575 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.334 13.638 -8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.938 12.031 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.506 12.441 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.637 12.411 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.086 10.170 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.126 10.195 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.116 8.933 -9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.060 10.305 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.052 10.280 -10.045 1.00 0.00 H new ATOM 847 N MET A 58 -0.478 13.369 -3.793 1.00 0.00 N ATOM 848 CA MET A 58 -0.682 12.796 -2.466 1.00 0.00 C ATOM 849 C MET A 58 -1.147 11.347 -2.566 1.00 0.00 C ATOM 850 O MET A 58 -2.338 11.082 -2.722 1.00 0.00 O ATOM 851 CB MET A 58 -1.713 13.619 -1.689 1.00 0.00 C ATOM 852 CG MET A 58 -2.935 14.001 -2.513 1.00 0.00 C ATOM 853 SD MET A 58 -2.912 15.728 -3.033 1.00 0.00 S ATOM 854 CE MET A 58 -2.858 16.559 -1.447 1.00 0.00 C ATOM 0 H MET A 58 -1.042 14.197 -3.985 1.00 0.00 H new ATOM 0 HA MET A 58 0.270 12.819 -1.936 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.037 13.051 -0.817 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.237 14.527 -1.319 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.989 13.361 -3.394 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.836 13.814 -1.928 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.067 17.309 -1.456 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.816 17.044 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.658 15.831 -0.661 1.00 0.00 H new ATOM 864 N MET A 59 -0.205 10.411 -2.481 1.00 0.00 N ATOM 865 CA MET A 59 -0.537 8.993 -2.566 1.00 0.00 C ATOM 866 C MET A 59 0.605 8.121 -2.048 1.00 0.00 C ATOM 867 O MET A 59 1.765 8.531 -2.057 1.00 0.00 O ATOM 868 CB MET A 59 -0.883 8.624 -4.009 1.00 0.00 C ATOM 869 CG MET A 59 0.070 9.197 -5.037 1.00 0.00 C ATOM 870 SD MET A 59 0.318 8.101 -6.447 1.00 0.00 S ATOM 871 CE MET A 59 2.027 8.452 -6.853 1.00 0.00 C ATOM 0 H MET A 59 0.788 10.608 -2.354 1.00 0.00 H new ATOM 0 HA MET A 59 -1.405 8.808 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.893 7.538 -4.103 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.892 8.972 -4.230 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.315 10.154 -5.390 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.031 9.396 -4.564 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.558 7.517 -7.033 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.068 9.071 -7.749 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.497 8.982 -6.024 1.00 0.00 H new ATOM 881 N LEU A 60 0.266 6.916 -1.586 1.00 0.00 N ATOM 882 CA LEU A 60 1.266 5.990 -1.054 1.00 0.00 C ATOM 883 C LEU A 60 0.918 4.537 -1.380 1.00 0.00 C ATOM 884 O LEU A 60 -0.233 4.213 -1.676 1.00 0.00 O ATOM 885 CB LEU A 60 1.399 6.164 0.462 1.00 0.00 C ATOM 886 CG LEU A 60 0.110 6.549 1.192 1.00 0.00 C ATOM 887 CD1 LEU A 60 0.208 6.199 2.668 1.00 0.00 C ATOM 888 CD2 LEU A 60 -0.179 8.032 1.012 1.00 0.00 C ATOM 0 H LEU A 60 -0.690 6.560 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 60 2.218 6.225 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.773 5.232 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.151 6.928 0.659 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.714 5.982 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.717 6.480 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.370 5.127 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.042 6.739 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.099 8.290 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.647 8.616 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.292 8.254 -0.049 1.00 0.00 H new ATOM 900 N ARG A 61 1.925 3.665 -1.316 1.00 0.00 N ATOM 901 CA ARG A 61 1.738 2.242 -1.595 1.00 0.00 C ATOM 902 C ARG A 61 2.389 1.388 -0.506 1.00 0.00 C ATOM 903 O ARG A 61 3.459 1.725 -0.004 1.00 0.00 O ATOM 904 CB ARG A 61 2.324 1.883 -2.968 1.00 0.00 C ATOM 905 CG ARG A 61 3.720 1.270 -2.921 1.00 0.00 C ATOM 906 CD ARG A 61 4.508 1.570 -4.185 1.00 0.00 C ATOM 907 NE ARG A 61 5.261 0.410 -4.655 1.00 0.00 N ATOM 908 CZ ARG A 61 6.433 0.031 -4.149 1.00 0.00 C ATOM 909 NH1 ARG A 61 6.991 0.717 -3.160 1.00 0.00 N ATOM 910 NH2 ARG A 61 7.049 -1.038 -4.635 1.00 0.00 N ATOM 0 H ARG A 61 2.882 3.921 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 61 0.668 2.035 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.651 1.184 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.357 2.784 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.259 1.657 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.639 0.191 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.824 1.899 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.195 2.395 -3.995 1.00 0.00 H new ATOM 0 HE ARG A 61 4.866 -0.142 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.522 1.540 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.889 0.421 -2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.625 -1.569 -5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.947 -1.329 -4.248 1.00 0.00 H new ATOM 924 N LEU A 62 1.749 0.279 -0.156 1.00 0.00 N ATOM 925 CA LEU A 62 2.287 -0.619 0.862 1.00 0.00 C ATOM 926 C LEU A 62 2.692 -1.942 0.240 1.00 0.00 C ATOM 927 O LEU A 62 1.984 -2.501 -0.597 1.00 0.00 O ATOM 928 CB LEU A 62 1.284 -0.839 1.997 1.00 0.00 C ATOM 929 CG LEU A 62 0.099 0.129 2.029 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.086 -0.453 1.276 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.285 0.449 3.466 1.00 0.00 C ATOM 0 H LEU A 62 0.861 -0.020 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 62 3.173 -0.150 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.898 -1.856 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.815 -0.767 2.946 1.00 0.00 H new ATOM 0 HG LEU A 62 0.396 1.055 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.919 0.249 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.805 -0.633 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.385 -1.393 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.129 1.139 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.563 -0.470 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.562 0.908 3.975 1.00 0.00 H new ATOM 943 N ILE A 63 3.859 -2.415 0.642 1.00 0.00 N ATOM 944 CA ILE A 63 4.413 -3.650 0.125 1.00 0.00 C ATOM 945 C ILE A 63 3.977 -4.864 0.933 1.00 0.00 C ATOM 946 O ILE A 63 4.262 -4.958 2.123 1.00 0.00 O ATOM 947 CB ILE A 63 5.960 -3.574 0.121 1.00 0.00 C ATOM 948 CG1 ILE A 63 6.479 -3.286 -1.285 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.592 -4.844 0.685 1.00 0.00 C ATOM 950 CD1 ILE A 63 6.883 -1.843 -1.478 1.00 0.00 C ATOM 0 H ILE A 63 4.447 -1.953 1.335 1.00 0.00 H new ATOM 0 HA ILE A 63 4.034 -3.769 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 63 6.251 -2.751 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.336 -3.928 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.708 -3.542 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.678 -4.750 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.260 -4.990 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.290 -5.700 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.244 -1.699 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.022 -1.198 -1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.675 -1.590 -0.773 1.00 0.00 H new ATOM 962 N GLY A 64 3.364 -5.829 0.262 1.00 0.00 N ATOM 963 CA GLY A 64 2.991 -7.064 0.921 1.00 0.00 C ATOM 964 C GLY A 64 4.227 -7.921 1.058 1.00 0.00 C ATOM 965 O GLY A 64 4.227 -9.111 0.742 1.00 0.00 O ATOM 0 H GLY A 64 3.118 -5.779 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.562 -6.857 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.228 -7.587 0.344 1.00 0.00 H new ATOM 969 N LYS A 65 5.296 -7.265 1.495 1.00 0.00 N ATOM 970 CA LYS A 65 6.597 -7.877 1.653 1.00 0.00 C ATOM 971 C LYS A 65 7.088 -8.460 0.331 1.00 0.00 C ATOM 972 O LYS A 65 6.296 -8.747 -0.566 1.00 0.00 O ATOM 973 CB LYS A 65 6.566 -8.939 2.729 1.00 0.00 C ATOM 974 CG LYS A 65 5.829 -8.511 3.986 1.00 0.00 C ATOM 975 CD LYS A 65 5.322 -9.711 4.770 1.00 0.00 C ATOM 976 CE LYS A 65 4.898 -9.318 6.176 1.00 0.00 C ATOM 977 NZ LYS A 65 5.154 -10.409 7.158 1.00 0.00 N ATOM 0 H LYS A 65 5.276 -6.278 1.752 1.00 0.00 H new ATOM 0 HA LYS A 65 7.298 -7.102 1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.093 -9.836 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.589 -9.208 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.494 -7.919 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.990 -7.870 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.478 -10.159 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.103 -10.469 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.437 -8.421 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.837 -9.068 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.248 -10.812 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.726 -11.153 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.667 -10.025 7.978 1.00 0.00 H new ATOM 991 N VAL A 66 8.403 -8.608 0.211 1.00 0.00 N ATOM 992 CA VAL A 66 9.009 -9.127 -1.004 1.00 0.00 C ATOM 993 C VAL A 66 9.655 -10.493 -0.789 1.00 0.00 C ATOM 994 O VAL A 66 9.862 -10.919 0.345 1.00 0.00 O ATOM 995 CB VAL A 66 10.067 -8.153 -1.540 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.602 -8.609 -2.888 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.506 -6.741 -1.627 1.00 0.00 C ATOM 0 H VAL A 66 9.070 -8.374 0.946 1.00 0.00 H new ATOM 0 HA VAL A 66 8.204 -9.239 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 66 10.901 -8.145 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.349 -7.899 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.057 -9.594 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.783 -8.662 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.273 -6.068 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.647 -6.731 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.195 -6.411 -0.636 1.00 0.00 H new ATOM 1311 N ARG A 86 2.134 -5.510 -3.579 1.00 0.00 N ATOM 1312 CA ARG A 86 2.022 -4.070 -3.396 1.00 0.00 C ATOM 1313 C ARG A 86 0.620 -3.566 -3.721 1.00 0.00 C ATOM 1314 O ARG A 86 -0.093 -4.148 -4.537 1.00 0.00 O ATOM 1315 CB ARG A 86 3.051 -3.349 -4.264 1.00 0.00 C ATOM 1316 CG ARG A 86 3.033 -1.839 -4.107 1.00 0.00 C ATOM 1317 CD ARG A 86 2.187 -1.173 -5.181 1.00 0.00 C ATOM 1318 NE ARG A 86 2.744 -1.368 -6.519 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.335 -2.308 -7.371 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.368 -3.153 -7.034 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.900 -2.405 -8.567 1.00 0.00 N ATOM 0 HA ARG A 86 2.217 -3.854 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.046 -3.719 -4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.870 -3.599 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.642 -1.580 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.052 -1.456 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.175 -1.577 -5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.111 -0.106 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 86 3.493 -0.745 -6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.930 -3.087 -6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.063 -3.868 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.645 -1.761 -8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.589 -3.123 -9.221 1.00 0.00 H new ATOM 1335 N HIS A 87 0.244 -2.470 -3.073 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.063 -1.854 -3.277 1.00 0.00 C ATOM 1337 C HIS A 87 -0.922 -0.337 -3.326 1.00 0.00 C ATOM 1338 O HIS A 87 -0.438 0.279 -2.376 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.032 -2.251 -2.157 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.799 -3.625 -1.609 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.632 -4.693 -1.870 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.819 -4.104 -0.805 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -2.177 -5.767 -1.251 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -1.077 -5.437 -0.599 1.00 0.00 N ATOM 0 H HIS A 87 0.832 -1.985 -2.395 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.466 -2.209 -4.225 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.949 -1.528 -1.345 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.053 -2.190 -2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.010 -3.542 -0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.628 -6.748 -1.274 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.511 -6.070 -0.034 1.00 0.00 H new ATOM 1353 N MET A 88 -1.331 0.262 -4.439 1.00 0.00 N ATOM 1354 CA MET A 88 -1.228 1.708 -4.604 1.00 0.00 C ATOM 1355 C MET A 88 -2.604 2.368 -4.634 1.00 0.00 C ATOM 1356 O MET A 88 -3.535 1.872 -5.268 1.00 0.00 O ATOM 1357 CB MET A 88 -0.432 2.029 -5.881 1.00 0.00 C ATOM 1358 CG MET A 88 -1.042 3.109 -6.773 1.00 0.00 C ATOM 1359 SD MET A 88 -2.338 2.474 -7.859 1.00 0.00 S ATOM 1360 CE MET A 88 -2.232 3.617 -9.238 1.00 0.00 C ATOM 0 H MET A 88 -1.735 -0.228 -5.237 1.00 0.00 H new ATOM 0 HA MET A 88 -0.697 2.117 -3.744 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.573 2.341 -5.595 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.328 1.114 -6.465 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.455 3.900 -6.147 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.256 3.560 -7.379 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.213 4.053 -9.425 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.522 4.409 -9.000 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.896 3.084 -10.127 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.709 3.503 -3.951 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.950 4.262 -3.897 1.00 0.00 C ATOM 1372 C PHE A 89 -3.644 5.744 -3.697 1.00 0.00 C ATOM 1373 O PHE A 89 -2.731 6.104 -2.951 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.869 3.730 -2.791 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.357 3.936 -1.394 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.107 3.473 -1.015 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.142 4.582 -0.454 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.650 3.655 0.277 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.693 4.765 0.838 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.444 4.301 1.205 1.00 0.00 C ATOM 0 H PHE A 89 -1.942 3.919 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.477 4.143 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.841 4.214 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.028 2.664 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.484 2.965 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.118 4.947 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.673 3.292 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.316 5.270 1.561 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.089 4.443 2.215 1.00 0.00 H new ATOM 1390 N SER A 90 -4.388 6.598 -4.393 1.00 0.00 N ATOM 1391 CA SER A 90 -4.169 8.039 -4.319 1.00 0.00 C ATOM 1392 C SER A 90 -5.035 8.699 -3.252 1.00 0.00 C ATOM 1393 O SER A 90 -6.191 8.333 -3.057 1.00 0.00 O ATOM 1394 CB SER A 90 -4.441 8.683 -5.682 1.00 0.00 C ATOM 1395 OG SER A 90 -5.786 9.123 -5.788 1.00 0.00 O ATOM 0 H SER A 90 -5.147 6.318 -5.014 1.00 0.00 H new ATOM 0 HA SER A 90 -3.127 8.195 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.768 9.528 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.228 7.965 -6.474 1.00 0.00 H new ATOM 0 HG SER A 90 -5.928 9.531 -6.668 1.00 0.00 H new ATOM 1401 N PHE A 91 -4.461 9.689 -2.576 1.00 0.00 N ATOM 1402 CA PHE A 91 -5.167 10.426 -1.536 1.00 0.00 C ATOM 1403 C PHE A 91 -5.685 11.748 -2.088 1.00 0.00 C ATOM 1404 O PHE A 91 -5.348 12.136 -3.206 1.00 0.00 O ATOM 1405 CB PHE A 91 -4.242 10.695 -0.347 1.00 0.00 C ATOM 1406 CG PHE A 91 -3.922 9.473 0.465 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -3.344 8.362 -0.126 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -4.195 9.439 1.823 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -3.043 7.240 0.621 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -3.896 8.320 2.576 1.00 0.00 C ATOM 1411 CZ PHE A 91 -3.319 7.220 1.975 1.00 0.00 C ATOM 0 H PHE A 91 -3.502 10.000 -2.732 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.009 9.821 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.312 11.129 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.707 11.438 0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.126 8.373 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.647 10.297 2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.593 6.380 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.114 8.306 3.634 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.083 6.345 2.562 1.00 0.00 H new ATOM 1421 N ASN A 92 -6.503 12.438 -1.302 1.00 0.00 N ATOM 1422 CA ASN A 92 -7.058 13.717 -1.726 1.00 0.00 C ATOM 1423 C ASN A 92 -6.728 14.817 -0.721 1.00 0.00 C ATOM 1424 O ASN A 92 -7.517 15.740 -0.513 1.00 0.00 O ATOM 1425 CB ASN A 92 -8.574 13.602 -1.908 1.00 0.00 C ATOM 1426 CG ASN A 92 -8.950 12.927 -3.215 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.007 13.569 -4.264 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.209 11.624 -3.158 1.00 0.00 N ATOM 0 H ASN A 92 -6.795 12.135 -0.373 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.606 13.984 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.995 13.037 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.018 14.597 -1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.467 11.118 -4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.150 11.131 -2.267 1.00 0.00 H new ATOM 1435 N ASN A 93 -5.553 14.715 -0.104 1.00 0.00 N ATOM 1436 CA ASN A 93 -5.109 15.703 0.875 1.00 0.00 C ATOM 1437 C ASN A 93 -3.750 15.317 1.455 1.00 0.00 C ATOM 1438 O ASN A 93 -3.486 14.143 1.715 1.00 0.00 O ATOM 1439 CB ASN A 93 -6.139 15.847 1.999 1.00 0.00 C ATOM 1440 CG ASN A 93 -6.531 17.291 2.241 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -7.505 17.786 1.673 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -5.772 17.977 3.088 1.00 0.00 N ATOM 0 H ASN A 93 -4.890 13.956 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.009 16.662 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.029 15.269 1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.732 15.425 2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.987 18.953 3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.974 17.527 3.537 1.00 0.00 H new ATOM 1449 N ARG A 94 -2.891 16.312 1.650 1.00 0.00 N ATOM 1450 CA ARG A 94 -1.556 16.079 2.193 1.00 0.00 C ATOM 1451 C ARG A 94 -1.621 15.596 3.640 1.00 0.00 C ATOM 1452 O ARG A 94 -0.792 14.795 4.073 1.00 0.00 O ATOM 1453 CB ARG A 94 -0.722 17.359 2.110 1.00 0.00 C ATOM 1454 CG ARG A 94 -0.503 17.851 0.689 1.00 0.00 C ATOM 1455 CD ARG A 94 0.548 18.948 0.636 1.00 0.00 C ATOM 1456 NE ARG A 94 1.156 19.060 -0.688 1.00 0.00 N ATOM 1457 CZ ARG A 94 1.886 20.100 -1.083 1.00 0.00 C ATOM 1458 NH1 ARG A 94 2.103 21.118 -0.260 1.00 0.00 N ATOM 1459 NH2 ARG A 94 2.402 20.122 -2.305 1.00 0.00 N ATOM 0 H ARG A 94 -3.095 17.289 1.440 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.084 15.300 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.216 18.142 2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.247 17.183 2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.193 17.018 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.443 18.226 0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.092 19.900 0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.323 18.744 1.375 1.00 0.00 H new ATOM 0 HE ARG A 94 1.012 18.296 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.709 21.106 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.663 21.913 -0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.239 19.342 -2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.962 20.919 -2.608 1.00 0.00 H new ATOM 1473 N THR A 95 -2.602 16.091 4.386 1.00 0.00 N ATOM 1474 CA THR A 95 -2.764 15.712 5.783 1.00 0.00 C ATOM 1475 C THR A 95 -3.305 14.293 5.910 1.00 0.00 C ATOM 1476 O THR A 95 -2.938 13.561 6.828 1.00 0.00 O ATOM 1477 CB THR A 95 -3.694 16.693 6.497 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.531 18.003 5.984 1.00 0.00 O ATOM 1479 CG2 THR A 95 -3.465 16.754 7.992 1.00 0.00 C ATOM 0 H THR A 95 -3.297 16.756 4.046 1.00 0.00 H new ATOM 0 HA THR A 95 -1.782 15.746 6.254 1.00 0.00 H new ATOM 0 HB THR A 95 -4.702 16.320 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.136 18.615 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.157 17.469 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.632 15.768 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.441 17.069 8.191 1.00 0.00 H new ATOM 1487 N VAL A 96 -4.178 13.907 4.987 1.00 0.00 N ATOM 1488 CA VAL A 96 -4.759 12.573 5.009 1.00 0.00 C ATOM 1489 C VAL A 96 -3.678 11.508 4.874 1.00 0.00 C ATOM 1490 O VAL A 96 -3.620 10.564 5.660 1.00 0.00 O ATOM 1491 CB VAL A 96 -5.790 12.387 3.880 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.448 11.021 3.977 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -6.838 13.487 3.928 1.00 0.00 C ATOM 0 H VAL A 96 -4.497 14.497 4.218 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.263 12.462 5.969 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.268 12.450 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.173 10.908 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.688 10.244 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.956 10.929 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.558 13.339 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.355 13.456 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.354 14.456 3.808 1.00 0.00 H new ATOM 1503 N MET A 97 -2.820 11.670 3.873 1.00 0.00 N ATOM 1504 CA MET A 97 -1.739 10.724 3.640 1.00 0.00 C ATOM 1505 C MET A 97 -0.707 10.803 4.758 1.00 0.00 C ATOM 1506 O MET A 97 -0.194 9.783 5.213 1.00 0.00 O ATOM 1507 CB MET A 97 -1.072 10.993 2.289 1.00 0.00 C ATOM 1508 CG MET A 97 -0.526 12.404 2.146 1.00 0.00 C ATOM 1509 SD MET A 97 1.190 12.543 2.682 1.00 0.00 S ATOM 1510 CE MET A 97 2.045 11.876 1.257 1.00 0.00 C ATOM 0 H MET A 97 -2.853 12.446 3.212 1.00 0.00 H new ATOM 0 HA MET A 97 -2.163 9.720 3.627 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.258 10.282 2.148 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.795 10.811 1.494 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.603 12.715 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.141 13.088 2.730 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.973 11.404 1.578 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.412 11.136 0.766 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.271 12.681 0.558 1.00 0.00 H new ATOM 1520 N ASP A 98 -0.411 12.022 5.199 1.00 0.00 N ATOM 1521 CA ASP A 98 0.559 12.232 6.266 1.00 0.00 C ATOM 1522 C ASP A 98 0.045 11.685 7.590 1.00 0.00 C ATOM 1523 O ASP A 98 0.783 11.029 8.325 1.00 0.00 O ATOM 1524 CB ASP A 98 0.882 13.721 6.405 1.00 0.00 C ATOM 1525 CG ASP A 98 2.227 13.961 7.063 1.00 0.00 C ATOM 1526 OD1 ASP A 98 3.226 13.364 6.609 1.00 0.00 O ATOM 1527 OD2 ASP A 98 2.281 14.746 8.033 1.00 0.00 O ATOM 0 H ASP A 98 -0.829 12.878 4.834 1.00 0.00 H new ATOM 0 HA ASP A 98 1.469 11.692 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.875 14.185 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.102 14.206 6.991 1.00 0.00 H new ATOM 1532 N ASN A 99 -1.221 11.956 7.897 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.811 11.481 9.145 1.00 0.00 C ATOM 1534 C ASN A 99 -1.660 9.969 9.273 1.00 0.00 C ATOM 1535 O ASN A 99 -1.186 9.468 10.293 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.290 11.866 9.213 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.491 13.340 9.507 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -2.562 14.036 9.915 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.711 13.823 9.301 1.00 0.00 N ATOM 0 H ASN A 99 -1.852 12.496 7.306 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.283 11.953 9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.771 11.618 8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.782 11.274 9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.907 14.807 9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.452 13.209 8.962 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.042 9.243 8.228 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.916 7.795 8.231 1.00 0.00 C ATOM 1548 C ILE A 100 -0.464 7.383 8.020 1.00 0.00 C ATOM 1549 O ILE A 100 0.015 6.437 8.640 1.00 0.00 O ATOM 1550 CB ILE A 100 -2.811 7.128 7.169 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -4.270 7.161 7.620 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.362 5.699 6.896 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -5.212 6.512 6.637 1.00 0.00 C ATOM 0 H ILE A 100 -2.439 9.633 7.373 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.252 7.450 9.209 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.719 7.688 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.357 6.658 8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.573 8.197 7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.011 5.251 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.334 5.704 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.420 5.117 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.232 6.570 7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.152 7.030 5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.934 5.467 6.502 1.00 0.00 H new ATOM 1565 N LYS A 101 0.235 8.098 7.138 1.00 0.00 N ATOM 1566 CA LYS A 101 1.635 7.793 6.858 1.00 0.00 C ATOM 1567 C LYS A 101 2.425 7.775 8.150 1.00 0.00 C ATOM 1568 O LYS A 101 3.160 6.831 8.432 1.00 0.00 O ATOM 1569 CB LYS A 101 2.232 8.815 5.884 1.00 0.00 C ATOM 1570 CG LYS A 101 3.721 8.631 5.640 1.00 0.00 C ATOM 1571 CD LYS A 101 4.549 9.537 6.537 1.00 0.00 C ATOM 1572 CE LYS A 101 4.777 10.897 5.896 1.00 0.00 C ATOM 1573 NZ LYS A 101 5.652 10.805 4.695 1.00 0.00 N ATOM 0 H LYS A 101 -0.142 8.885 6.610 1.00 0.00 H new ATOM 0 HA LYS A 101 1.689 6.809 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.706 8.746 4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.058 9.818 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.994 7.591 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.949 8.845 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.043 9.665 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.510 9.066 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.818 11.331 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.229 11.570 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.097 11.728 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.390 10.090 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.081 10.533 3.870 1.00 0.00 H new ATOM 1587 N MET A 102 2.240 8.815 8.944 1.00 0.00 N ATOM 1588 CA MET A 102 2.910 8.913 10.233 1.00 0.00 C ATOM 1589 C MET A 102 2.486 7.749 11.118 1.00 0.00 C ATOM 1590 O MET A 102 3.273 7.228 11.908 1.00 0.00 O ATOM 1591 CB MET A 102 2.588 10.245 10.913 1.00 0.00 C ATOM 1592 CG MET A 102 1.134 10.400 11.331 1.00 0.00 C ATOM 1593 SD MET A 102 0.930 11.535 12.717 1.00 0.00 S ATOM 1594 CE MET A 102 -0.649 10.995 13.368 1.00 0.00 C ATOM 0 H MET A 102 1.633 9.604 8.721 1.00 0.00 H new ATOM 0 HA MET A 102 3.987 8.869 10.074 1.00 0.00 H new ATOM 0 HB2 MET A 102 3.220 10.352 11.794 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.847 11.058 10.235 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.552 10.760 10.483 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.732 9.424 11.603 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.913 11.604 14.233 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.415 11.103 12.600 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.581 9.949 13.668 1.00 0.00 H new ATOM 1604 N THR A 103 1.231 7.340 10.961 1.00 0.00 N ATOM 1605 CA THR A 103 0.682 6.233 11.715 1.00 0.00 C ATOM 1606 C THR A 103 1.327 4.931 11.260 1.00 0.00 C ATOM 1607 O THR A 103 1.867 4.176 12.065 1.00 0.00 O ATOM 1608 CB THR A 103 -0.838 6.179 11.505 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.517 6.859 12.545 1.00 0.00 O ATOM 1610 CG2 THR A 103 -1.397 4.780 11.432 1.00 0.00 C ATOM 0 H THR A 103 0.574 7.768 10.309 1.00 0.00 H new ATOM 0 HA THR A 103 0.890 6.372 12.776 1.00 0.00 H new ATOM 0 HB THR A 103 -1.002 6.662 10.541 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.483 6.813 12.389 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.476 4.827 11.283 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.938 4.248 10.599 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.182 4.253 12.362 1.00 0.00 H new ATOM 1618 N LEU A 104 1.270 4.693 9.954 1.00 0.00 N ATOM 1619 CA LEU A 104 1.845 3.498 9.361 1.00 0.00 C ATOM 1620 C LEU A 104 3.345 3.469 9.570 1.00 0.00 C ATOM 1621 O LEU A 104 3.941 2.409 9.750 1.00 0.00 O ATOM 1622 CB LEU A 104 1.505 3.427 7.870 1.00 0.00 C ATOM 1623 CG LEU A 104 0.293 2.554 7.525 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.649 3.281 6.569 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.749 1.226 6.932 1.00 0.00 C ATOM 0 H LEU A 104 0.826 5.320 9.283 1.00 0.00 H new ATOM 0 HA LEU A 104 1.416 2.626 9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.322 4.438 7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.373 3.047 7.332 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.257 2.351 8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.501 2.640 6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.002 4.201 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.118 3.522 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.122 0.616 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.324 1.411 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.372 0.699 7.655 1.00 0.00 H new ATOM 1637 N GLN A 105 3.948 4.644 9.556 1.00 0.00 N ATOM 1638 CA GLN A 105 5.378 4.767 9.757 1.00 0.00 C ATOM 1639 C GLN A 105 5.781 4.137 11.084 1.00 0.00 C ATOM 1640 O GLN A 105 6.856 3.549 11.205 1.00 0.00 O ATOM 1641 CB GLN A 105 5.764 6.241 9.739 1.00 0.00 C ATOM 1642 CG GLN A 105 6.563 6.650 8.513 1.00 0.00 C ATOM 1643 CD GLN A 105 7.152 8.042 8.639 1.00 0.00 C ATOM 1644 OE1 GLN A 105 7.076 8.667 9.697 1.00 0.00 O ATOM 1645 NE2 GLN A 105 7.742 8.535 7.557 1.00 0.00 N ATOM 0 H GLN A 105 3.466 5.530 9.407 1.00 0.00 H new ATOM 0 HA GLN A 105 5.900 4.245 8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.858 6.845 9.789 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.347 6.466 10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.367 5.932 8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.919 6.610 7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.782 7.982 6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.155 9.467 7.582 1.00 0.00 H new ATOM 1654 N GLN A 106 4.906 4.258 12.078 1.00 0.00 N ATOM 1655 CA GLN A 106 5.169 3.691 13.389 1.00 0.00 C ATOM 1656 C GLN A 106 4.919 2.191 13.382 1.00 0.00 C ATOM 1657 O GLN A 106 5.732 1.412 13.878 1.00 0.00 O ATOM 1658 CB GLN A 106 4.303 4.368 14.453 1.00 0.00 C ATOM 1659 CG GLN A 106 4.924 5.630 15.030 1.00 0.00 C ATOM 1660 CD GLN A 106 4.086 6.238 16.137 1.00 0.00 C ATOM 1661 OE1 GLN A 106 3.112 5.640 16.593 1.00 0.00 O ATOM 1662 NE2 GLN A 106 4.463 7.434 16.575 1.00 0.00 N ATOM 0 H GLN A 106 4.012 4.743 11.997 1.00 0.00 H new ATOM 0 HA GLN A 106 6.217 3.867 13.632 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.335 4.616 14.018 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.118 3.662 15.262 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.917 5.398 15.416 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.055 6.363 14.234 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.278 7.893 16.167 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.938 7.893 17.319 1.00 0.00 H new ATOM 1671 N ILE A 107 3.790 1.797 12.808 1.00 0.00 N ATOM 1672 CA ILE A 107 3.428 0.391 12.725 1.00 0.00 C ATOM 1673 C ILE A 107 4.452 -0.360 11.890 1.00 0.00 C ATOM 1674 O ILE A 107 4.977 -1.391 12.310 1.00 0.00 O ATOM 1675 CB ILE A 107 2.026 0.200 12.120 1.00 0.00 C ATOM 1676 CG1 ILE A 107 1.094 1.329 12.569 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.465 -1.157 12.520 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.366 1.067 12.290 1.00 0.00 C ATOM 0 H ILE A 107 3.109 2.433 12.393 1.00 0.00 H new ATOM 0 HA ILE A 107 3.415 -0.008 13.739 1.00 0.00 H new ATOM 0 HB ILE A 107 2.102 0.235 11.033 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.226 1.491 13.639 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.389 2.251 12.068 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.473 -1.282 12.087 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.123 -1.945 12.154 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.397 -1.217 13.606 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.960 1.912 12.637 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.514 0.935 11.218 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.680 0.164 12.813 1.00 0.00 H new ATOM 1690 N ILE A 108 4.763 0.186 10.717 1.00 0.00 N ATOM 1691 CA ILE A 108 5.760 -0.412 9.841 1.00 0.00 C ATOM 1692 C ILE A 108 7.046 -0.611 10.620 1.00 0.00 C ATOM 1693 O ILE A 108 7.742 -1.615 10.472 1.00 0.00 O ATOM 1694 CB ILE A 108 6.013 0.472 8.600 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.297 -0.399 7.377 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.152 1.455 8.831 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.534 -1.257 7.526 1.00 0.00 C ATOM 0 H ILE A 108 4.339 1.040 10.354 1.00 0.00 H new ATOM 0 HA ILE A 108 5.391 -1.375 9.488 1.00 0.00 H new ATOM 0 HB ILE A 108 5.110 1.054 8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.437 -1.043 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.411 0.241 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.299 2.059 7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.907 2.105 9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.067 0.906 9.053 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.677 -1.850 6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.403 -0.618 7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.415 -1.922 8.381 1.00 0.00 H new ATOM 1709 N SER A 109 7.324 0.357 11.479 1.00 0.00 N ATOM 1710 CA SER A 109 8.497 0.308 12.333 1.00 0.00 C ATOM 1711 C SER A 109 8.336 -0.812 13.353 1.00 0.00 C ATOM 1712 O SER A 109 9.300 -1.492 13.706 1.00 0.00 O ATOM 1713 CB SER A 109 8.700 1.647 13.046 1.00 0.00 C ATOM 1714 OG SER A 109 10.014 1.756 13.564 1.00 0.00 O ATOM 0 H SER A 109 6.749 1.190 11.602 1.00 0.00 H new ATOM 0 HA SER A 109 9.375 0.113 11.718 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.511 2.465 12.351 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.977 1.744 13.856 1.00 0.00 H new ATOM 0 HG SER A 109 10.118 2.621 14.013 1.00 0.00 H new ATOM 1720 N ARG A 110 7.100 -1.004 13.815 1.00 0.00 N ATOM 1721 CA ARG A 110 6.800 -2.051 14.785 1.00 0.00 C ATOM 1722 C ARG A 110 7.021 -3.429 14.171 1.00 0.00 C ATOM 1723 O ARG A 110 7.634 -4.303 14.783 1.00 0.00 O ATOM 1724 CB ARG A 110 5.354 -1.933 15.273 1.00 0.00 C ATOM 1725 CG ARG A 110 5.043 -0.618 15.969 1.00 0.00 C ATOM 1726 CD ARG A 110 4.028 -0.808 17.083 1.00 0.00 C ATOM 1727 NE ARG A 110 3.662 0.459 17.713 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.975 0.551 18.849 1.00 0.00 C ATOM 1729 NH1 ARG A 110 2.577 -0.545 19.483 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.685 1.743 19.353 1.00 0.00 N ATOM 0 H ARG A 110 6.293 -0.448 13.532 1.00 0.00 H new ATOM 0 HA ARG A 110 7.473 -1.928 15.634 1.00 0.00 H new ATOM 0 HB2 ARG A 110 4.683 -2.050 14.422 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.144 -2.754 15.959 1.00 0.00 H new ATOM 0 HG2 ARG A 110 5.960 -0.195 16.379 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.659 0.098 15.243 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.134 -1.285 16.681 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.438 -1.482 17.835 1.00 0.00 H new ATOM 0 HE ARG A 110 3.950 1.324 17.255 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.797 -1.464 19.100 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.051 -0.468 20.353 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.988 2.589 18.870 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.158 1.814 20.224 1.00 0.00 H new ATOM 1744 N TYR A 111 6.515 -3.615 12.955 1.00 0.00 N ATOM 1745 CA TYR A 111 6.655 -4.886 12.255 1.00 0.00 C ATOM 1746 C TYR A 111 8.112 -5.146 11.886 1.00 0.00 C ATOM 1747 O TYR A 111 8.547 -6.294 11.805 1.00 0.00 O ATOM 1748 CB TYR A 111 5.786 -4.897 10.995 1.00 0.00 C ATOM 1749 CG TYR A 111 4.332 -5.216 11.264 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.463 -4.245 11.747 1.00 0.00 C ATOM 1751 CD2 TYR A 111 3.830 -6.491 11.036 1.00 0.00 C ATOM 1752 CE1 TYR A 111 2.135 -4.536 11.994 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.504 -6.789 11.279 1.00 0.00 C ATOM 1754 CZ TYR A 111 1.660 -5.810 11.758 1.00 0.00 C ATOM 1755 OH TYR A 111 0.338 -6.104 11.997 1.00 0.00 O ATOM 0 H TYR A 111 6.005 -2.901 12.435 1.00 0.00 H new ATOM 0 HA TYR A 111 6.322 -5.680 12.924 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.852 -3.923 10.510 1.00 0.00 H new ATOM 0 HB3 TYR A 111 6.186 -5.630 10.294 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.832 -3.247 11.932 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.488 -7.262 10.663 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.472 -3.770 12.370 1.00 0.00 H new ATOM 0 HE2 TYR A 111 2.130 -7.785 11.095 1.00 0.00 H new ATOM 0 HH TYR A 111 0.167 -7.044 11.778 1.00 0.00 H new ATOM 1765 N LYS A 112 8.862 -4.071 11.663 1.00 0.00 N ATOM 1766 CA LYS A 112 10.270 -4.182 11.305 1.00 0.00 C ATOM 1767 C LYS A 112 11.128 -4.432 12.542 1.00 0.00 C ATOM 1768 O LYS A 112 12.170 -5.082 12.466 1.00 0.00 O ATOM 1769 CB LYS A 112 10.739 -2.913 10.592 1.00 0.00 C ATOM 1770 CG LYS A 112 11.746 -3.174 9.484 1.00 0.00 C ATOM 1771 CD LYS A 112 11.068 -3.272 8.127 1.00 0.00 C ATOM 1772 CE LYS A 112 11.042 -1.928 7.418 1.00 0.00 C ATOM 1773 NZ LYS A 112 12.137 -1.807 6.416 1.00 0.00 N ATOM 0 H LYS A 112 8.517 -3.113 11.724 1.00 0.00 H new ATOM 0 HA LYS A 112 10.381 -5.031 10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.873 -2.402 10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.183 -2.238 11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.485 -2.373 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.284 -4.099 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.593 -4.000 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.049 -3.637 8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.080 -1.798 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.132 -1.128 8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.084 -0.876 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.056 -1.906 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.036 -2.554 5.700 1.00 0.00 H new ATOM 1787 N ASP A 113 10.681 -3.911 13.681 1.00 0.00 N ATOM 1788 CA ASP A 113 11.408 -4.079 14.934 1.00 0.00 C ATOM 1789 C ASP A 113 11.083 -5.424 15.575 1.00 0.00 C ATOM 1790 O ASP A 113 11.980 -6.157 15.993 1.00 0.00 O ATOM 1791 CB ASP A 113 11.066 -2.944 15.901 1.00 0.00 C ATOM 1792 CG ASP A 113 12.010 -1.765 15.767 1.00 0.00 C ATOM 1793 OD1 ASP A 113 13.133 -1.959 15.255 1.00 0.00 O ATOM 1794 OD2 ASP A 113 11.626 -0.648 16.173 1.00 0.00 O ATOM 0 H ASP A 113 9.820 -3.370 13.762 1.00 0.00 H new ATOM 0 HA ASP A 113 12.475 -4.051 14.713 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.045 -2.610 15.718 1.00 0.00 H new ATOM 0 HB3 ASP A 113 11.101 -3.319 16.924 1.00 0.00 H new ATOM 1799 N ALA A 114 9.795 -5.743 15.650 1.00 0.00 N ATOM 1800 CA ALA A 114 9.352 -6.999 16.241 1.00 0.00 C ATOM 1801 C ALA A 114 9.914 -8.193 15.477 1.00 0.00 C ATOM 1802 O ALA A 114 10.512 -9.094 16.065 1.00 0.00 O ATOM 1803 CB ALA A 114 7.833 -7.059 16.274 1.00 0.00 C ATOM 0 H ALA A 114 9.040 -5.148 15.309 1.00 0.00 H new ATOM 0 HA ALA A 114 9.729 -7.045 17.263 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.516 -8.003 16.718 1.00 0.00 H new ATOM 0 HB2 ALA A 114 7.449 -6.231 16.869 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.444 -6.987 15.258 1.00 0.00 H new ATOM 1809 N ASP A 115 9.717 -8.194 14.162 1.00 0.00 N ATOM 1810 CA ASP A 115 10.204 -9.278 13.317 1.00 0.00 C ATOM 1811 C ASP A 115 11.721 -9.402 13.411 1.00 0.00 C ATOM 1812 O ASP A 115 12.371 -8.416 13.818 1.00 0.00 O ATOM 1813 CB ASP A 115 9.789 -9.045 11.863 1.00 0.00 C ATOM 1814 CG ASP A 115 8.316 -9.318 11.632 1.00 0.00 C ATOM 1815 OD1 ASP A 115 7.546 -9.291 12.615 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.932 -9.558 10.468 1.00 0.00 O ATOM 1817 OXT ASP A 115 12.248 -10.484 13.076 1.00 0.00 O ATOM 0 H ASP A 115 9.224 -7.456 13.659 1.00 0.00 H new ATOM 0 HA ASP A 115 9.759 -10.208 13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 115 10.013 -8.015 11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 115 10.381 -9.687 11.211 1.00 0.00 H new ATOM 2088 N PHE B 475 3.176 5.412 -11.554 1.00 0.00 N ATOM 2089 CA PHE B 475 3.067 5.818 -10.164 1.00 0.00 C ATOM 2090 C PHE B 475 4.226 5.246 -9.365 1.00 0.00 C ATOM 2091 O PHE B 475 4.696 5.866 -8.413 1.00 0.00 O ATOM 2092 CB PHE B 475 1.706 5.416 -9.561 1.00 0.00 C ATOM 2093 CG PHE B 475 1.578 3.980 -9.118 1.00 0.00 C ATOM 2094 CD1 PHE B 475 2.414 3.431 -8.155 1.00 0.00 C ATOM 2095 CD2 PHE B 475 0.595 3.183 -9.667 1.00 0.00 C ATOM 2096 CE1 PHE B 475 2.268 2.114 -7.761 1.00 0.00 C ATOM 2097 CE2 PHE B 475 0.442 1.868 -9.277 1.00 0.00 C ATOM 2098 CZ PHE B 475 1.280 1.332 -8.324 1.00 0.00 C ATOM 0 HA PHE B 475 3.120 6.906 -10.116 1.00 0.00 H new ATOM 0 HB2 PHE B 475 1.506 6.059 -8.704 1.00 0.00 H new ATOM 0 HB3 PHE B 475 0.930 5.618 -10.299 1.00 0.00 H new ATOM 0 HD1 PHE B 475 3.187 4.039 -7.709 1.00 0.00 H new ATOM 0 HD2 PHE B 475 -0.066 3.595 -10.415 1.00 0.00 H new ATOM 0 HE1 PHE B 475 2.927 1.697 -7.013 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -0.334 1.260 -9.718 1.00 0.00 H new ATOM 0 HZ PHE B 475 1.164 0.303 -8.018 1.00 0.00 H new ATOM 2108 N GLU B 476 4.687 4.059 -9.762 1.00 0.00 N ATOM 2109 CA GLU B 476 5.794 3.408 -9.074 1.00 0.00 C ATOM 2110 C GLU B 476 7.039 4.278 -9.071 1.00 0.00 C ATOM 2111 O GLU B 476 7.847 4.205 -8.146 1.00 0.00 O ATOM 2112 CB GLU B 476 6.102 2.054 -9.693 1.00 0.00 C ATOM 2113 CG GLU B 476 4.866 1.213 -9.946 1.00 0.00 C ATOM 2114 CD GLU B 476 5.179 -0.267 -10.055 1.00 0.00 C ATOM 2115 OE1 GLU B 476 5.489 -0.886 -9.016 1.00 0.00 O ATOM 2116 OE2 GLU B 476 5.115 -0.805 -11.180 1.00 0.00 O ATOM 0 H GLU B 476 4.311 3.534 -10.552 1.00 0.00 H new ATOM 0 HA GLU B 476 5.485 3.256 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU B 476 6.629 2.205 -10.635 1.00 0.00 H new ATOM 0 HB3 GLU B 476 6.776 1.507 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU B 476 4.152 1.371 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU B 476 4.386 1.548 -10.865 1.00 0.00 H new ATOM 2123 N GLN B 477 7.189 5.119 -10.087 1.00 0.00 N ATOM 2124 CA GLN B 477 8.344 6.009 -10.146 1.00 0.00 C ATOM 2125 C GLN B 477 8.333 6.928 -8.938 1.00 0.00 C ATOM 2126 O GLN B 477 9.316 7.017 -8.203 1.00 0.00 O ATOM 2127 CB GLN B 477 8.347 6.821 -11.443 1.00 0.00 C ATOM 2128 CG GLN B 477 9.141 6.172 -12.565 1.00 0.00 C ATOM 2129 CD GLN B 477 10.600 6.586 -12.562 1.00 0.00 C ATOM 2130 OE1 GLN B 477 11.005 7.479 -13.306 1.00 0.00 O ATOM 2131 NE2 GLN B 477 11.397 5.937 -11.722 1.00 0.00 N ATOM 0 H GLN B 477 6.539 5.204 -10.868 1.00 0.00 H new ATOM 0 HA GLN B 477 9.253 5.408 -10.133 1.00 0.00 H new ATOM 0 HB2 GLN B 477 7.318 6.966 -11.774 1.00 0.00 H new ATOM 0 HB3 GLN B 477 8.759 7.810 -11.242 1.00 0.00 H new ATOM 0 HG2 GLN B 477 9.075 5.088 -12.472 1.00 0.00 H new ATOM 0 HG3 GLN B 477 8.694 6.438 -13.523 1.00 0.00 H new ATOM 0 HE21 GLN B 477 11.018 5.203 -11.123 1.00 0.00 H new ATOM 0 HE22 GLN B 477 12.388 6.172 -11.675 1.00 0.00 H new ATOM 2140 N MET B 478 7.195 7.564 -8.703 1.00 0.00 N ATOM 2141 CA MET B 478 7.042 8.417 -7.540 1.00 0.00 C ATOM 2142 C MET B 478 6.730 7.540 -6.329 1.00 0.00 C ATOM 2143 O MET B 478 6.634 8.019 -5.199 1.00 0.00 O ATOM 2144 CB MET B 478 5.925 9.439 -7.760 1.00 0.00 C ATOM 2145 CG MET B 478 6.274 10.510 -8.781 1.00 0.00 C ATOM 2146 SD MET B 478 5.272 11.997 -8.597 1.00 0.00 S ATOM 2147 CE MET B 478 3.648 11.282 -8.358 1.00 0.00 C ATOM 0 H MET B 478 6.370 7.505 -9.300 1.00 0.00 H new ATOM 0 HA MET B 478 7.967 8.968 -7.370 1.00 0.00 H new ATOM 0 HB2 MET B 478 5.025 8.917 -8.086 1.00 0.00 H new ATOM 0 HB3 MET B 478 5.689 9.918 -6.810 1.00 0.00 H new ATOM 0 HG2 MET B 478 7.327 10.772 -8.682 1.00 0.00 H new ATOM 0 HG3 MET B 478 6.139 10.107 -9.785 1.00 0.00 H new ATOM 0 HE1 MET B 478 2.887 11.985 -8.699 1.00 0.00 H new ATOM 0 HE2 MET B 478 3.570 10.357 -8.930 1.00 0.00 H new ATOM 0 HE3 MET B 478 3.497 11.068 -7.300 1.00 0.00 H new ATOM 2157 N PHE B 479 6.568 6.240 -6.596 1.00 0.00 N ATOM 2158 CA PHE B 479 6.261 5.261 -5.568 1.00 0.00 C ATOM 2159 C PHE B 479 7.421 4.299 -5.342 1.00 0.00 C ATOM 2160 O PHE B 479 7.228 3.208 -4.806 1.00 0.00 O ATOM 2161 CB PHE B 479 5.009 4.472 -5.956 1.00 0.00 C ATOM 2162 CG PHE B 479 3.738 5.034 -5.378 1.00 0.00 C ATOM 2163 CD1 PHE B 479 3.683 6.340 -4.914 1.00 0.00 C ATOM 2164 CD2 PHE B 479 2.601 4.251 -5.293 1.00 0.00 C ATOM 2165 CE1 PHE B 479 2.518 6.849 -4.378 1.00 0.00 C ATOM 2166 CE2 PHE B 479 1.434 4.755 -4.755 1.00 0.00 C ATOM 2167 CZ PHE B 479 1.393 6.055 -4.297 1.00 0.00 C ATOM 0 H PHE B 479 6.648 5.845 -7.533 1.00 0.00 H new ATOM 0 HA PHE B 479 6.085 5.802 -4.638 1.00 0.00 H new ATOM 0 HB2 PHE B 479 4.926 4.451 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE B 479 5.123 3.440 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE B 479 4.562 6.965 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE B 479 2.627 3.233 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE B 479 2.487 7.868 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE B 479 0.554 4.132 -4.693 1.00 0.00 H new ATOM 0 HZ PHE B 479 0.481 6.451 -3.875 1.00 0.00 H new ATOM 2177 N THR B 480 8.627 4.697 -5.739 1.00 0.00 N ATOM 2178 CA THR B 480 9.787 3.847 -5.552 1.00 0.00 C ATOM 2179 C THR B 480 10.817 4.545 -4.672 1.00 0.00 C ATOM 2180 O THR B 480 11.528 5.448 -5.113 1.00 0.00 O ATOM 2181 CB THR B 480 10.407 3.478 -6.901 1.00 0.00 C ATOM 2182 OG1 THR B 480 11.491 2.584 -6.726 1.00 0.00 O ATOM 2183 CG2 THR B 480 10.919 4.675 -7.673 1.00 0.00 C ATOM 0 H THR B 480 8.820 5.593 -6.187 1.00 0.00 H new ATOM 0 HA THR B 480 9.466 2.930 -5.057 1.00 0.00 H new ATOM 0 HB THR B 480 9.602 3.016 -7.472 1.00 0.00 H new ATOM 0 HG1 THR B 480 11.873 2.359 -7.600 1.00 0.00 H new ATOM 0 HG21 THR B 480 11.346 4.342 -8.619 1.00 0.00 H new ATOM 0 HG22 THR B 480 10.095 5.362 -7.868 1.00 0.00 H new ATOM 0 HG23 THR B 480 11.685 5.184 -7.089 1.00 0.00 H new ATOM 2191 N ASP B 481 10.877 4.112 -3.413 1.00 0.00 N ATOM 2192 CA ASP B 481 11.801 4.675 -2.432 1.00 0.00 C ATOM 2193 C ASP B 481 11.807 6.201 -2.483 1.00 0.00 C ATOM 2194 O ASP B 481 12.508 6.804 -3.296 1.00 0.00 O ATOM 2195 CB ASP B 481 13.214 4.137 -2.662 1.00 0.00 C ATOM 2196 CG ASP B 481 14.046 4.137 -1.394 1.00 0.00 C ATOM 2197 OD1 ASP B 481 14.346 5.236 -0.881 1.00 0.00 O ATOM 2198 OD2 ASP B 481 14.398 3.039 -0.915 1.00 0.00 O ATOM 0 H ASP B 481 10.288 3.364 -3.047 1.00 0.00 H new ATOM 0 HA ASP B 481 11.459 4.372 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP B 481 13.154 3.122 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP B 481 13.711 4.742 -3.420 1.00 0.00 H new ATOM 2203 N ALA B 482 11.021 6.819 -1.607 1.00 0.00 N ATOM 2204 CA ALA B 482 10.935 8.273 -1.549 1.00 0.00 C ATOM 2205 C ALA B 482 10.866 8.761 -0.106 1.00 0.00 C ATOM 2206 O ALA B 482 11.834 9.309 0.421 1.00 0.00 O ATOM 2207 CB ALA B 482 9.724 8.760 -2.330 1.00 0.00 C ATOM 0 H ALA B 482 10.434 6.335 -0.927 1.00 0.00 H new ATOM 0 HA ALA B 482 11.837 8.685 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA B 482 9.671 9.848 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA B 482 9.814 8.450 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA B 482 8.818 8.332 -1.901 1.00 0.00 H new