USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 787 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 97 SER OG : rot 60:sc= 0.426! USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.414 X(o=0.012,f=-0.13) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.0329 USER MOD Set 2.2: A 77 THR OG1 : rot -55:sc= 0.0316 USER MOD Set 3.1: A 53 ASN : amide:sc= -7.62! C(o=-21!,f=-14!) USER MOD Set 3.2: A 54 GLN : amide:sc= -13.7! C(o=-21!,f=-9.4!) USER MOD Set 4.1: A 37 TYR OH : rot -110:sc= 0.76 USER MOD Set 4.2: A 47 THR OG1 : rot -52:sc= -0.0178! USER MOD Set 5.1: A 35 GLN : amide:sc= -7.9! C(o=-15!,f=-18!) USER MOD Set 5.2: A 92 GLN : amide:sc= -3.02 K(o=-15,f=-16!) USER MOD Set 5.3: A 94 TYR OH : rot 30:sc= -4.42! USER MOD Set 6.1: A 1 ASN : amide:sc= -4.29! K(o=-3.6!,f=0.58) USER MOD Set 6.2: A 25 SER OG : rot 105:sc= 0.646 USER MOD Set 7.1: A 8 HIS : no HD1:sc= -4.23! C(o=-5.6!,f=-1.5!) USER MOD Set 7.2: A 9 SER OG : rot 180:sc= -1.32 USER MOD Single : A 1 ASN N :NH3+ -120:sc= 0.15 (180deg=-0.0241) USER MOD Single : A 3 MET CE :methyl -148:sc= -0.299 (180deg=-1.3) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00366 USER MOD Single : A 6 GLN : amide:sc= -8.96! C(o=-9!,f=-16!) USER MOD Single : A 11 SER OG : rot 40:sc= 0.0894 USER MOD Single : A 13 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -151:sc= -1.38 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.43! C(o=-1.4!,f=-15!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -5.06! C(o=-5.1!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.067) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -109:sc= -0.452 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -37:sc= 0.943 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.372 USER MOD Single : A 72 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0705) USER MOD Single : A 83 THR OG1 : rot -13:sc= 0.117! USER MOD Single : A 89 TYR OH : rot -32:sc= -2.04! USER MOD Single : A 90 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 93 SER OG : rot 40:sc= 0.0999 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.937 X(o=-0.94,f=-0.64) USER MOD Single : A 106 THR OG1 : rot -89:sc= 1.03 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 81.732 19.007 12.077 1.00 0.00 N ATOM 2 CA ASN A 1 82.201 18.830 10.674 1.00 0.00 C ATOM 3 C ASN A 1 81.490 17.628 10.061 1.00 0.00 C ATOM 4 O ASN A 1 80.680 16.975 10.720 1.00 0.00 O ATOM 5 CB ASN A 1 83.717 18.617 10.666 1.00 0.00 C ATOM 6 CG ASN A 1 84.066 17.286 11.325 1.00 0.00 C ATOM 7 OD1 ASN A 1 84.670 17.264 12.398 1.00 0.00 O ATOM 8 ND2 ASN A 1 83.721 16.170 10.742 1.00 0.00 N ATOM 0 H1 ASN A 1 81.294 19.944 12.181 1.00 0.00 H new ATOM 0 H2 ASN A 1 81.033 18.271 12.305 1.00 0.00 H new ATOM 0 H3 ASN A 1 82.541 18.929 12.726 1.00 0.00 H new ATOM 0 HA ASN A 1 81.971 19.719 10.086 1.00 0.00 H new ATOM 0 HB2 ASN A 1 84.088 18.632 9.641 1.00 0.00 H new ATOM 0 HB3 ASN A 1 84.209 19.433 11.195 1.00 0.00 H new ATOM 0 HD21 ASN A 1 83.952 15.276 11.175 1.00 0.00 H new ATOM 0 HD22 ASN A 1 83.221 16.192 9.853 1.00 0.00 H new ATOM 17 N PHE A 2 81.860 17.289 8.829 1.00 0.00 N ATOM 18 CA PHE A 2 81.241 16.172 8.122 1.00 0.00 C ATOM 19 C PHE A 2 82.345 15.297 7.539 1.00 0.00 C ATOM 20 O PHE A 2 82.922 15.636 6.506 1.00 0.00 O ATOM 21 CB PHE A 2 80.345 16.695 6.993 1.00 0.00 C ATOM 22 CG PHE A 2 79.733 18.017 7.397 1.00 0.00 C ATOM 23 CD1 PHE A 2 78.672 18.052 8.310 1.00 0.00 C ATOM 24 CD2 PHE A 2 80.282 19.212 6.916 1.00 0.00 C ATOM 25 CE1 PHE A 2 78.087 19.278 8.653 1.00 0.00 C ATOM 26 CE2 PHE A 2 79.697 20.436 7.258 1.00 0.00 C ATOM 27 CZ PHE A 2 78.604 20.470 8.132 1.00 0.00 C ATOM 0 H PHE A 2 82.586 17.772 8.300 1.00 0.00 H new ATOM 0 HA PHE A 2 80.628 15.593 8.812 1.00 0.00 H new ATOM 0 HB2 PHE A 2 80.928 16.817 6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 2 79.559 15.972 6.775 1.00 0.00 H new ATOM 0 HD1 PHE A 2 78.305 17.136 8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 2 81.156 19.189 6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 2 77.237 19.303 9.319 1.00 0.00 H new ATOM 0 HE2 PHE A 2 80.089 21.355 6.848 1.00 0.00 H new ATOM 0 HZ PHE A 2 78.160 21.416 8.404 1.00 0.00 H new ATOM 37 N MET A 3 82.562 14.126 8.131 1.00 0.00 N ATOM 38 CA MET A 3 83.587 13.210 7.641 1.00 0.00 C ATOM 39 C MET A 3 83.047 11.785 7.659 1.00 0.00 C ATOM 40 O MET A 3 81.983 11.516 8.215 1.00 0.00 O ATOM 41 CB MET A 3 84.845 13.313 8.513 1.00 0.00 C ATOM 42 CG MET A 3 85.829 14.328 7.930 1.00 0.00 C ATOM 43 SD MET A 3 86.813 13.530 6.639 1.00 0.00 S ATOM 44 CE MET A 3 87.797 12.439 7.695 1.00 0.00 C ATOM 0 H MET A 3 82.046 13.791 8.945 1.00 0.00 H new ATOM 0 HA MET A 3 83.851 13.478 6.618 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.568 13.608 9.525 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.323 12.336 8.586 1.00 0.00 H new ATOM 0 HG2 MET A 3 85.289 15.180 7.518 1.00 0.00 H new ATOM 0 HG3 MET A 3 86.480 14.713 8.715 1.00 0.00 H new ATOM 0 HE1 MET A 3 88.783 12.297 7.253 1.00 0.00 H new ATOM 0 HE2 MET A 3 87.904 12.888 8.683 1.00 0.00 H new ATOM 0 HE3 MET A 3 87.298 11.474 7.787 1.00 0.00 H new ATOM 54 N LEU A 4 83.793 10.886 7.026 1.00 0.00 N ATOM 55 CA LEU A 4 83.407 9.481 6.971 1.00 0.00 C ATOM 56 C LEU A 4 84.553 8.628 7.504 1.00 0.00 C ATOM 57 O LEU A 4 85.529 8.377 6.798 1.00 0.00 O ATOM 58 CB LEU A 4 83.067 9.064 5.535 1.00 0.00 C ATOM 59 CG LEU A 4 81.642 9.491 5.152 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.638 10.926 4.611 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.092 8.550 4.076 1.00 0.00 C ATOM 0 H LEU A 4 84.666 11.104 6.545 1.00 0.00 H new ATOM 0 HA LEU A 4 82.519 9.333 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.781 9.513 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.164 7.983 5.435 1.00 0.00 H new ATOM 0 HG LEU A 4 81.016 9.443 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.620 11.212 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 4 82.017 11.604 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.274 10.984 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.081 8.856 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 4 81.731 8.593 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 4 81.072 7.530 4.460 1.00 0.00 H new ATOM 73 N THR A 5 84.377 8.109 8.715 1.00 0.00 N ATOM 74 CA THR A 5 85.425 7.306 9.332 1.00 0.00 C ATOM 75 C THR A 5 85.422 5.913 8.715 1.00 0.00 C ATOM 76 O THR A 5 84.428 5.194 8.820 1.00 0.00 O ATOM 77 CB THR A 5 85.192 7.213 10.844 1.00 0.00 C ATOM 78 OG1 THR A 5 84.562 8.406 11.292 1.00 0.00 O ATOM 79 CG2 THR A 5 86.526 7.051 11.579 1.00 0.00 C ATOM 0 H THR A 5 83.535 8.227 9.279 1.00 0.00 H new ATOM 0 HA THR A 5 86.393 7.776 9.157 1.00 0.00 H new ATOM 0 HB THR A 5 84.561 6.349 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.409 8.352 12.258 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.345 6.986 12.652 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.021 6.141 11.239 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.163 7.910 11.370 1.00 0.00 H new ATOM 87 N GLN A 6 86.504 5.571 8.021 1.00 0.00 N ATOM 88 CA GLN A 6 86.651 4.245 7.430 1.00 0.00 C ATOM 89 C GLN A 6 88.097 3.768 7.535 1.00 0.00 C ATOM 90 O GLN A 6 89.022 4.575 7.442 1.00 0.00 O ATOM 91 CB GLN A 6 86.214 4.285 5.960 1.00 0.00 C ATOM 92 CG GLN A 6 84.685 4.207 5.834 1.00 0.00 C ATOM 93 CD GLN A 6 84.265 2.959 5.062 1.00 0.00 C ATOM 94 OE1 GLN A 6 84.676 1.848 5.397 1.00 0.00 O ATOM 95 NE2 GLN A 6 83.727 3.104 3.885 1.00 0.00 N ATOM 0 H GLN A 6 87.293 6.195 7.854 1.00 0.00 H new ATOM 0 HA GLN A 6 86.019 3.544 7.975 1.00 0.00 H new ATOM 0 HB2 GLN A 6 86.574 5.203 5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 6 86.669 3.455 5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 6 84.235 4.194 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 6 84.312 5.096 5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.381 4.018 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.651 2.304 3.257 1.00 0.00 H new ATOM 104 N PRO A 7 88.313 2.481 7.464 1.00 0.00 N ATOM 105 CA PRO A 7 89.686 1.912 7.563 1.00 0.00 C ATOM 106 C PRO A 7 90.590 2.513 6.491 1.00 0.00 C ATOM 107 O PRO A 7 90.148 2.761 5.369 1.00 0.00 O ATOM 108 CB PRO A 7 89.501 0.400 7.376 1.00 0.00 C ATOM 109 CG PRO A 7 88.034 0.134 7.240 1.00 0.00 C ATOM 110 CD PRO A 7 87.289 1.429 7.568 1.00 0.00 C ATOM 0 HA PRO A 7 90.167 2.136 8.515 1.00 0.00 H new ATOM 0 HB2 PRO A 7 90.036 0.056 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.911 -0.144 8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.798 -0.196 6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.727 -0.664 7.915 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.470 1.603 6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.855 1.395 8.567 1.00 0.00 H new ATOM 118 N HIS A 8 91.850 2.758 6.836 1.00 0.00 N ATOM 119 CA HIS A 8 92.797 3.283 5.861 1.00 0.00 C ATOM 120 C HIS A 8 93.048 2.254 4.765 1.00 0.00 C ATOM 121 O HIS A 8 92.985 2.568 3.576 1.00 0.00 O ATOM 122 CB HIS A 8 94.115 3.665 6.543 1.00 0.00 C ATOM 123 CG HIS A 8 94.878 2.434 6.949 1.00 0.00 C ATOM 124 ND1 HIS A 8 95.998 1.995 6.262 1.00 0.00 N ATOM 125 CD2 HIS A 8 94.672 1.520 7.954 1.00 0.00 C ATOM 126 CE1 HIS A 8 96.453 0.894 6.888 1.00 0.00 C ATOM 127 NE2 HIS A 8 95.655 0.534 7.896 1.00 0.00 N ATOM 0 H HIS A 8 92.234 2.604 7.768 1.00 0.00 H new ATOM 0 HA HIS A 8 92.370 4.179 5.411 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.720 4.267 5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 8 93.912 4.279 7.420 1.00 0.00 H new ATOM 0 HD2 HIS A 8 93.871 1.560 8.678 1.00 0.00 H new ATOM 0 HE1 HIS A 8 97.353 0.366 6.609 1.00 0.00 H new ATOM 0 HE2 HIS A 8 95.745 -0.287 8.495 1.00 0.00 H new ATOM 135 N SER A 9 93.431 1.049 5.176 1.00 0.00 N ATOM 136 CA SER A 9 93.718 -0.017 4.223 1.00 0.00 C ATOM 137 C SER A 9 93.693 -1.372 4.919 1.00 0.00 C ATOM 138 O SER A 9 93.918 -1.470 6.126 1.00 0.00 O ATOM 139 CB SER A 9 95.097 0.205 3.598 1.00 0.00 C ATOM 140 OG SER A 9 96.098 -0.332 4.450 1.00 0.00 O ATOM 0 H SER A 9 93.549 0.788 6.155 1.00 0.00 H new ATOM 0 HA SER A 9 92.955 -0.002 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.145 -0.272 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.270 1.270 3.443 1.00 0.00 H new ATOM 0 HG SER A 9 96.980 -0.190 4.048 1.00 0.00 H new ATOM 146 N VAL A 10 93.471 -2.420 4.138 1.00 0.00 N ATOM 147 CA VAL A 10 93.449 -3.771 4.683 1.00 0.00 C ATOM 148 C VAL A 10 93.553 -4.792 3.557 1.00 0.00 C ATOM 149 O VAL A 10 93.172 -4.522 2.418 1.00 0.00 O ATOM 150 CB VAL A 10 92.155 -3.990 5.471 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.950 -3.724 4.565 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.102 -5.425 5.997 1.00 0.00 C ATOM 0 H VAL A 10 93.305 -2.363 3.133 1.00 0.00 H new ATOM 0 HA VAL A 10 94.300 -3.898 5.352 1.00 0.00 H new ATOM 0 HB VAL A 10 92.129 -3.302 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.030 -3.881 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.985 -2.696 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.976 -4.406 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.179 -5.573 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.134 -6.121 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.955 -5.605 6.651 1.00 0.00 H new ATOM 162 N SER A 11 94.058 -5.975 3.888 1.00 0.00 N ATOM 163 CA SER A 11 94.181 -7.060 2.922 1.00 0.00 C ATOM 164 C SER A 11 93.423 -8.285 3.422 1.00 0.00 C ATOM 165 O SER A 11 93.622 -8.722 4.556 1.00 0.00 O ATOM 166 CB SER A 11 95.660 -7.406 2.738 1.00 0.00 C ATOM 167 OG SER A 11 96.283 -7.495 4.012 1.00 0.00 O ATOM 0 H SER A 11 94.391 -6.208 4.824 1.00 0.00 H new ATOM 0 HA SER A 11 93.758 -6.747 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.761 -8.351 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.151 -6.644 2.133 1.00 0.00 H new ATOM 0 HG SER A 11 95.679 -7.943 4.641 1.00 0.00 H new ATOM 173 N GLU A 12 92.671 -8.920 2.529 1.00 0.00 N ATOM 174 CA GLU A 12 91.925 -10.124 2.880 1.00 0.00 C ATOM 175 C GLU A 12 92.336 -11.287 1.983 1.00 0.00 C ATOM 176 O GLU A 12 92.508 -11.117 0.776 1.00 0.00 O ATOM 177 CB GLU A 12 90.422 -9.880 2.711 1.00 0.00 C ATOM 178 CG GLU A 12 89.643 -10.962 3.463 1.00 0.00 C ATOM 179 CD GLU A 12 89.612 -10.649 4.955 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.114 -9.601 5.329 1.00 0.00 O ATOM 181 OE2 GLU A 12 89.198 -11.516 5.707 1.00 0.00 O ATOM 0 H GLU A 12 92.562 -8.622 1.560 1.00 0.00 H new ATOM 0 HA GLU A 12 92.147 -10.369 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.157 -8.894 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.157 -9.894 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.626 -11.023 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.106 -11.935 3.298 1.00 0.00 H new ATOM 188 N SER A 13 92.379 -12.485 2.558 1.00 0.00 N ATOM 189 CA SER A 13 92.803 -13.657 1.802 1.00 0.00 C ATOM 190 C SER A 13 91.734 -14.050 0.784 1.00 0.00 C ATOM 191 O SER A 13 90.562 -13.721 0.978 1.00 0.00 O ATOM 192 CB SER A 13 93.092 -14.833 2.738 1.00 0.00 C ATOM 193 OG SER A 13 93.726 -14.360 3.917 1.00 0.00 O ATOM 0 H SER A 13 92.130 -12.668 3.530 1.00 0.00 H new ATOM 0 HA SER A 13 93.721 -13.403 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.164 -15.345 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.730 -15.561 2.237 1.00 0.00 H new ATOM 0 HG SER A 13 93.908 -15.114 4.515 1.00 0.00 H new ATOM 199 N PRO A 14 92.085 -14.683 -0.306 1.00 0.00 N ATOM 200 CA PRO A 14 91.067 -15.161 -1.282 1.00 0.00 C ATOM 201 C PRO A 14 90.200 -16.277 -0.707 1.00 0.00 C ATOM 202 O PRO A 14 90.677 -17.388 -0.479 1.00 0.00 O ATOM 203 CB PRO A 14 91.873 -15.627 -2.502 1.00 0.00 C ATOM 204 CG PRO A 14 93.323 -15.561 -2.132 1.00 0.00 C ATOM 205 CD PRO A 14 93.427 -15.183 -0.650 1.00 0.00 C ATOM 0 HA PRO A 14 90.360 -14.373 -1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.594 -16.643 -2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.667 -14.992 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.805 -16.522 -2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.839 -14.825 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.700 -16.043 -0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 14 94.189 -14.421 -0.486 1.00 0.00 H new ATOM 213 N GLY A 15 88.898 -16.019 -0.615 1.00 0.00 N ATOM 214 CA GLY A 15 87.943 -17.025 -0.156 1.00 0.00 C ATOM 215 C GLY A 15 87.316 -16.604 1.169 1.00 0.00 C ATOM 216 O GLY A 15 86.387 -17.250 1.654 1.00 0.00 O ATOM 0 H GLY A 15 88.479 -15.120 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.164 -17.163 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.446 -17.985 -0.038 1.00 0.00 H new ATOM 220 N LYS A 16 87.915 -15.599 1.802 1.00 0.00 N ATOM 221 CA LYS A 16 87.442 -15.122 3.097 1.00 0.00 C ATOM 222 C LYS A 16 86.382 -14.042 2.915 1.00 0.00 C ATOM 223 O LYS A 16 86.213 -13.495 1.826 1.00 0.00 O ATOM 224 CB LYS A 16 88.625 -14.564 3.897 1.00 0.00 C ATOM 225 CG LYS A 16 89.330 -15.685 4.664 1.00 0.00 C ATOM 226 CD LYS A 16 90.314 -15.074 5.663 1.00 0.00 C ATOM 227 CE LYS A 16 90.960 -16.198 6.477 1.00 0.00 C ATOM 228 NZ LYS A 16 91.790 -15.599 7.560 1.00 0.00 N ATOM 0 H LYS A 16 88.728 -15.100 1.439 1.00 0.00 H new ATOM 0 HA LYS A 16 86.995 -15.955 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.330 -14.077 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.274 -13.803 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.597 -16.299 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.858 -16.340 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.079 -14.503 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.796 -14.380 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 16 90.192 -16.842 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 16 91.577 -16.823 5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 92.233 -16.357 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 92.530 -15.001 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 91.187 -15.020 8.179 1.00 0.00 H new ATOM 242 N THR A 17 85.611 -13.804 3.972 1.00 0.00 N ATOM 243 CA THR A 17 84.562 -12.792 3.936 1.00 0.00 C ATOM 244 C THR A 17 85.042 -11.496 4.577 1.00 0.00 C ATOM 245 O THR A 17 85.776 -11.515 5.565 1.00 0.00 O ATOM 246 CB THR A 17 83.327 -13.294 4.686 1.00 0.00 C ATOM 247 OG1 THR A 17 83.690 -13.653 6.011 1.00 0.00 O ATOM 248 CG2 THR A 17 82.741 -14.512 3.967 1.00 0.00 C ATOM 0 H THR A 17 85.693 -14.297 4.861 1.00 0.00 H new ATOM 0 HA THR A 17 84.309 -12.601 2.893 1.00 0.00 H new ATOM 0 HB THR A 17 82.579 -12.502 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 17 82.898 -13.973 6.492 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.862 -14.865 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.457 -14.234 2.952 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.487 -15.306 3.930 1.00 0.00 H new ATOM 256 N VAL A 18 84.695 -10.378 3.949 1.00 0.00 N ATOM 257 CA VAL A 18 85.100 -9.065 4.438 1.00 0.00 C ATOM 258 C VAL A 18 83.886 -8.154 4.581 1.00 0.00 C ATOM 259 O VAL A 18 82.993 -8.153 3.733 1.00 0.00 O ATOM 260 CB VAL A 18 86.117 -8.447 3.475 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.415 -7.999 2.189 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.776 -7.242 4.153 1.00 0.00 C ATOM 0 H VAL A 18 84.133 -10.355 3.098 1.00 0.00 H new ATOM 0 HA VAL A 18 85.562 -9.179 5.419 1.00 0.00 H new ATOM 0 HB VAL A 18 86.876 -9.187 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.146 -7.560 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 18 84.946 -8.860 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.653 -7.258 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.502 -6.795 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.014 -6.505 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.281 -7.568 5.062 1.00 0.00 H new ATOM 272 N THR A 19 83.895 -7.350 5.639 1.00 0.00 N ATOM 273 CA THR A 19 82.817 -6.400 5.894 1.00 0.00 C ATOM 274 C THR A 19 83.392 -4.993 6.006 1.00 0.00 C ATOM 275 O THR A 19 84.236 -4.735 6.864 1.00 0.00 O ATOM 276 CB THR A 19 82.132 -6.776 7.212 1.00 0.00 C ATOM 277 OG1 THR A 19 81.732 -8.138 7.167 1.00 0.00 O ATOM 278 CG2 THR A 19 80.898 -5.906 7.464 1.00 0.00 C ATOM 0 H THR A 19 84.639 -7.337 6.336 1.00 0.00 H new ATOM 0 HA THR A 19 82.097 -6.429 5.077 1.00 0.00 H new ATOM 0 HB THR A 19 82.845 -6.614 8.021 1.00 0.00 H new ATOM 0 HG1 THR A 19 81.295 -8.379 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.434 -6.197 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.195 -4.859 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.185 -6.042 6.651 1.00 0.00 H new ATOM 286 N ILE A 20 82.789 -4.051 5.287 1.00 0.00 N ATOM 287 CA ILE A 20 83.254 -2.668 5.318 1.00 0.00 C ATOM 288 C ILE A 20 82.333 -1.817 6.187 1.00 0.00 C ATOM 289 O ILE A 20 81.112 -1.973 6.149 1.00 0.00 O ATOM 290 CB ILE A 20 83.286 -2.099 3.898 1.00 0.00 C ATOM 291 CG1 ILE A 20 83.916 -3.116 2.944 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.089 -0.796 3.875 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.292 -3.553 3.455 1.00 0.00 C ATOM 0 H ILE A 20 81.985 -4.217 4.681 1.00 0.00 H new ATOM 0 HA ILE A 20 84.258 -2.648 5.741 1.00 0.00 H new ATOM 0 HB ILE A 20 82.266 -1.892 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 20 83.265 -3.985 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.013 -2.679 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.107 -0.398 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.624 -0.070 4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.109 -0.991 4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.724 -4.276 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 85.946 -2.684 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.186 -4.010 4.439 1.00 0.00 H new ATOM 305 N SER A 21 82.926 -0.995 7.048 1.00 0.00 N ATOM 306 CA SER A 21 82.162 -0.135 7.949 1.00 0.00 C ATOM 307 C SER A 21 82.274 1.327 7.518 1.00 0.00 C ATOM 308 O SER A 21 83.382 1.838 7.352 1.00 0.00 O ATOM 309 CB SER A 21 82.706 -0.308 9.370 1.00 0.00 C ATOM 310 OG SER A 21 82.814 -1.690 9.682 1.00 0.00 O ATOM 0 H SER A 21 83.938 -0.906 7.141 1.00 0.00 H new ATOM 0 HA SER A 21 81.110 -0.417 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.682 0.170 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.046 0.184 10.084 1.00 0.00 H new ATOM 0 HG SER A 21 83.164 -1.794 10.591 1.00 0.00 H new ATOM 316 N CYS A 22 81.139 2.002 7.329 1.00 0.00 N ATOM 317 CA CYS A 22 81.117 3.393 6.868 1.00 0.00 C ATOM 318 C CYS A 22 80.375 4.202 7.942 1.00 0.00 C ATOM 319 O CYS A 22 79.274 3.821 8.338 1.00 0.00 O ATOM 320 CB CYS A 22 80.472 3.432 5.462 1.00 0.00 C ATOM 321 SG CYS A 22 81.151 4.630 4.261 1.00 0.00 S ATOM 0 H CYS A 22 80.214 1.604 7.490 1.00 0.00 H new ATOM 0 HA CYS A 22 82.106 3.837 6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.552 2.436 5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.409 3.642 5.584 1.00 0.00 H new ATOM 326 N THR A 23 81.088 5.077 8.659 1.00 0.00 N ATOM 327 CA THR A 23 80.490 5.891 9.718 1.00 0.00 C ATOM 328 C THR A 23 80.580 7.343 9.279 1.00 0.00 C ATOM 329 O THR A 23 81.680 7.835 9.035 1.00 0.00 O ATOM 330 CB THR A 23 81.203 5.738 11.068 1.00 0.00 C ATOM 331 OG1 THR A 23 81.065 4.400 11.520 1.00 0.00 O ATOM 332 CG2 THR A 23 80.597 6.676 12.120 1.00 0.00 C ATOM 0 H THR A 23 82.086 5.239 8.522 1.00 0.00 H new ATOM 0 HA THR A 23 79.462 5.561 9.864 1.00 0.00 H new ATOM 0 HB THR A 23 82.254 5.993 10.931 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.082 4.382 12.500 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.121 6.547 13.067 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.697 7.709 11.787 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.542 6.439 12.254 1.00 0.00 H new ATOM 340 N ARG A 24 79.522 8.089 9.573 1.00 0.00 N ATOM 341 CA ARG A 24 79.572 9.535 9.402 1.00 0.00 C ATOM 342 C ARG A 24 79.975 10.207 10.708 1.00 0.00 C ATOM 343 O ARG A 24 79.370 9.974 11.755 1.00 0.00 O ATOM 344 CB ARG A 24 78.197 10.026 8.946 1.00 0.00 C ATOM 345 CG ARG A 24 77.881 9.445 7.560 1.00 0.00 C ATOM 346 CD ARG A 24 78.115 10.493 6.471 1.00 0.00 C ATOM 347 NE ARG A 24 77.263 11.651 6.707 1.00 0.00 N ATOM 348 CZ ARG A 24 75.939 11.533 6.717 1.00 0.00 C ATOM 349 NH1 ARG A 24 75.371 10.484 6.184 1.00 0.00 N ATOM 350 NH2 ARG A 24 75.210 12.466 7.269 1.00 0.00 N ATOM 0 H ARG A 24 78.636 7.726 9.924 1.00 0.00 H new ATOM 0 HA ARG A 24 80.317 9.791 8.648 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.434 9.722 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.182 11.115 8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.508 8.573 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 24 76.846 9.106 7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 24 79.162 10.796 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 24 77.901 10.066 5.491 1.00 0.00 H new ATOM 0 HE ARG A 24 77.688 12.564 6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 24 75.944 9.754 5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 24 74.355 10.395 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.657 13.280 7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 24 74.194 12.380 7.279 1.00 0.00 H new ATOM 364 N SER A 25 80.812 11.227 10.586 1.00 0.00 N ATOM 365 CA SER A 25 81.199 12.026 11.742 1.00 0.00 C ATOM 366 C SER A 25 79.973 12.681 12.369 1.00 0.00 C ATOM 367 O SER A 25 80.105 13.627 13.145 1.00 0.00 O ATOM 368 CB SER A 25 82.237 13.077 11.346 1.00 0.00 C ATOM 369 OG SER A 25 81.628 14.074 10.537 1.00 0.00 O ATOM 0 H SER A 25 81.234 11.520 9.705 1.00 0.00 H new ATOM 0 HA SER A 25 81.651 11.368 12.484 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.666 13.532 12.239 1.00 0.00 H new ATOM 0 HB3 SER A 25 83.056 12.606 10.803 1.00 0.00 H new ATOM 0 HG SER A 25 81.497 14.889 11.065 1.00 0.00 H new ATOM 375 N SER A 26 78.817 12.392 11.778 1.00 0.00 N ATOM 376 CA SER A 26 77.565 13.040 12.154 1.00 0.00 C ATOM 377 C SER A 26 76.708 12.068 12.960 1.00 0.00 C ATOM 378 O SER A 26 75.826 12.481 13.713 1.00 0.00 O ATOM 379 CB SER A 26 76.847 13.486 10.875 1.00 0.00 C ATOM 380 OG SER A 26 76.481 14.852 11.003 1.00 0.00 O ATOM 0 H SER A 26 78.722 11.706 11.029 1.00 0.00 H new ATOM 0 HA SER A 26 77.755 13.914 12.777 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.497 13.350 10.011 1.00 0.00 H new ATOM 0 HB3 SER A 26 75.961 12.873 10.707 1.00 0.00 H new ATOM 0 HG SER A 26 76.023 15.146 10.188 1.00 0.00 H new ATOM 386 N GLY A 27 77.032 10.783 12.849 1.00 0.00 N ATOM 387 CA GLY A 27 76.283 9.744 13.548 1.00 0.00 C ATOM 388 C GLY A 27 75.123 9.229 12.702 1.00 0.00 C ATOM 389 O GLY A 27 74.743 8.061 12.806 1.00 0.00 O ATOM 0 H GLY A 27 77.807 10.437 12.283 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.949 8.918 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.901 10.139 14.489 1.00 0.00 H new ATOM 393 N SER A 28 74.643 10.063 11.786 1.00 0.00 N ATOM 394 CA SER A 28 73.548 9.676 10.904 1.00 0.00 C ATOM 395 C SER A 28 74.047 8.824 9.742 1.00 0.00 C ATOM 396 O SER A 28 74.891 9.260 8.959 1.00 0.00 O ATOM 397 CB SER A 28 72.858 10.929 10.363 1.00 0.00 C ATOM 398 OG SER A 28 72.595 11.817 11.438 1.00 0.00 O ATOM 0 H SER A 28 74.994 11.009 11.635 1.00 0.00 H new ATOM 0 HA SER A 28 72.840 9.082 11.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 73.491 11.415 9.620 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.928 10.659 9.862 1.00 0.00 H new ATOM 0 HG SER A 28 72.154 12.623 11.096 1.00 0.00 H new ATOM 404 N ILE A 29 73.584 7.579 9.673 1.00 0.00 N ATOM 405 CA ILE A 29 73.985 6.662 8.612 1.00 0.00 C ATOM 406 C ILE A 29 72.800 5.900 8.032 1.00 0.00 C ATOM 407 O ILE A 29 72.439 6.087 6.871 1.00 0.00 O ATOM 408 CB ILE A 29 74.972 5.638 9.181 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.482 5.102 10.546 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.382 6.248 9.294 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.946 3.665 10.506 1.00 0.00 C ATOM 0 H ILE A 29 72.927 7.181 10.344 1.00 0.00 H new ATOM 0 HA ILE A 29 74.436 7.258 7.819 1.00 0.00 H new ATOM 0 HB ILE A 29 75.026 4.794 8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.305 5.150 11.259 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.697 5.759 10.921 1.00 0.00 H new ATOM 0 HG21 ILE A 29 77.068 5.505 9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.725 6.557 8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.352 7.114 9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.624 3.369 11.504 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.100 3.611 9.821 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.733 2.993 10.164 1.00 0.00 H new ATOM 423 N ALA A 30 72.170 5.073 8.862 1.00 0.00 N ATOM 424 CA ALA A 30 71.032 4.292 8.394 1.00 0.00 C ATOM 425 C ALA A 30 69.907 5.271 8.099 1.00 0.00 C ATOM 426 O ALA A 30 68.861 4.916 7.556 1.00 0.00 O ATOM 427 CB ALA A 30 70.575 3.302 9.467 1.00 0.00 C ATOM 0 H ALA A 30 72.421 4.929 9.840 1.00 0.00 H new ATOM 0 HA ALA A 30 71.308 3.722 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.725 2.730 9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.393 2.622 9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.282 3.847 10.364 1.00 0.00 H new ATOM 433 N SER A 31 70.234 6.531 8.357 1.00 0.00 N ATOM 434 CA SER A 31 69.314 7.635 8.094 1.00 0.00 C ATOM 435 C SER A 31 69.607 8.315 6.760 1.00 0.00 C ATOM 436 O SER A 31 68.705 8.874 6.136 1.00 0.00 O ATOM 437 CB SER A 31 69.369 8.659 9.228 1.00 0.00 C ATOM 438 OG SER A 31 68.176 9.431 9.214 1.00 0.00 O ATOM 0 H SER A 31 71.131 6.816 8.749 1.00 0.00 H new ATOM 0 HA SER A 31 68.310 7.214 8.039 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.478 8.153 10.187 1.00 0.00 H new ATOM 0 HB3 SER A 31 70.238 9.307 9.108 1.00 0.00 H new ATOM 0 HG SER A 31 68.204 10.089 9.940 1.00 0.00 H new ATOM 444 N ASN A 32 70.831 8.170 6.262 1.00 0.00 N ATOM 445 CA ASN A 32 71.239 8.858 5.041 1.00 0.00 C ATOM 446 C ASN A 32 71.608 7.830 3.977 1.00 0.00 C ATOM 447 O ASN A 32 71.968 6.698 4.300 1.00 0.00 O ATOM 448 CB ASN A 32 72.463 9.734 5.316 1.00 0.00 C ATOM 449 CG ASN A 32 72.179 10.702 6.459 1.00 0.00 C ATOM 450 OD1 ASN A 32 73.073 11.008 7.249 1.00 0.00 O ATOM 451 ND2 ASN A 32 71.023 11.305 6.515 1.00 0.00 N ATOM 0 H ASN A 32 71.554 7.586 6.682 1.00 0.00 H new ATOM 0 HA ASN A 32 70.412 9.479 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 32 73.318 9.106 5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.729 10.291 4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 32 70.859 12.030 7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 32 70.283 11.051 5.860 1.00 0.00 H new ATOM 458 N TYR A 33 71.373 8.184 2.717 1.00 0.00 N ATOM 459 CA TYR A 33 71.607 7.256 1.616 1.00 0.00 C ATOM 460 C TYR A 33 73.103 7.118 1.360 1.00 0.00 C ATOM 461 O TYR A 33 73.853 8.085 1.477 1.00 0.00 O ATOM 462 CB TYR A 33 70.938 7.775 0.343 1.00 0.00 C ATOM 463 CG TYR A 33 69.574 8.335 0.667 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.652 7.563 1.384 1.00 0.00 C ATOM 465 CD2 TYR A 33 69.246 9.643 0.286 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.371 8.065 1.639 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.999 10.178 0.630 1.00 0.00 C ATOM 468 CZ TYR A 33 67.056 9.384 1.294 1.00 0.00 C ATOM 469 OH TYR A 33 65.831 9.913 1.645 1.00 0.00 O ATOM 0 H TYR A 33 71.023 9.100 2.434 1.00 0.00 H new ATOM 0 HA TYR A 33 71.187 6.287 1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 33 71.557 8.546 -0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.845 6.968 -0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.929 6.582 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 33 69.954 10.237 -0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.626 7.435 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 33 67.764 11.203 0.383 1.00 0.00 H new ATOM 0 HH TYR A 33 65.773 10.840 1.331 1.00 0.00 H new ATOM 479 N VAL A 34 73.554 5.891 1.127 1.00 0.00 N ATOM 480 CA VAL A 34 74.971 5.630 0.893 1.00 0.00 C ATOM 481 C VAL A 34 75.147 4.801 -0.373 1.00 0.00 C ATOM 482 O VAL A 34 74.392 3.862 -0.620 1.00 0.00 O ATOM 483 CB VAL A 34 75.571 4.891 2.091 1.00 0.00 C ATOM 484 CG1 VAL A 34 77.062 4.649 1.834 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.393 5.731 3.361 1.00 0.00 C ATOM 0 H VAL A 34 72.961 5.062 1.095 1.00 0.00 H new ATOM 0 HA VAL A 34 75.490 6.580 0.767 1.00 0.00 H new ATOM 0 HB VAL A 34 75.063 3.936 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.497 4.123 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.183 4.047 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.568 5.605 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.822 5.201 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.899 6.688 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 34 74.331 5.902 3.538 1.00 0.00 H new ATOM 495 N GLN A 35 76.184 5.119 -1.141 1.00 0.00 N ATOM 496 CA GLN A 35 76.466 4.402 -2.380 1.00 0.00 C ATOM 497 C GLN A 35 77.843 3.756 -2.305 1.00 0.00 C ATOM 498 O GLN A 35 78.733 4.284 -1.639 1.00 0.00 O ATOM 499 CB GLN A 35 76.453 5.364 -3.570 1.00 0.00 C ATOM 500 CG GLN A 35 77.457 6.500 -3.370 1.00 0.00 C ATOM 501 CD GLN A 35 77.364 7.488 -4.529 1.00 0.00 C ATOM 502 OE1 GLN A 35 78.332 8.181 -4.839 1.00 0.00 O ATOM 503 NE2 GLN A 35 76.269 7.564 -5.233 1.00 0.00 N ATOM 0 H GLN A 35 76.843 5.868 -0.928 1.00 0.00 H new ATOM 0 HA GLN A 35 75.697 3.641 -2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.692 4.820 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.452 5.777 -3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.257 7.011 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 35 78.467 6.096 -3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 35 75.461 6.993 -4.983 1.00 0.00 H new ATOM 0 HE22 GLN A 35 76.220 8.194 -6.033 1.00 0.00 H new ATOM 512 N TRP A 36 78.035 2.669 -3.047 1.00 0.00 N ATOM 513 CA TRP A 36 79.318 1.973 -3.064 1.00 0.00 C ATOM 514 C TRP A 36 79.918 2.002 -4.465 1.00 0.00 C ATOM 515 O TRP A 36 79.255 1.667 -5.448 1.00 0.00 O ATOM 516 CB TRP A 36 79.134 0.525 -2.608 1.00 0.00 C ATOM 517 CG TRP A 36 78.655 0.508 -1.191 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.365 0.641 -0.808 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.435 0.417 0.038 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.292 0.533 0.566 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.537 0.353 1.132 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.809 0.284 0.300 1.00 0.00 C ATOM 523 CZ2 TRP A 36 78.996 0.291 2.451 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.272 0.195 1.618 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.372 0.206 2.691 1.00 0.00 C ATOM 0 H TRP A 36 77.320 2.252 -3.643 1.00 0.00 H new ATOM 0 HA TRP A 36 79.998 2.480 -2.380 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.416 0.018 -3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.076 -0.017 -2.692 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.528 0.805 -1.470 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.423 0.581 1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.511 0.250 -0.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.297 0.308 3.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.332 0.117 1.809 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.740 0.149 3.705 1.00 0.00 H new ATOM 536 N TYR A 37 81.176 2.427 -4.538 1.00 0.00 N ATOM 537 CA TYR A 37 81.888 2.525 -5.808 1.00 0.00 C ATOM 538 C TYR A 37 83.268 1.892 -5.673 1.00 0.00 C ATOM 539 O TYR A 37 83.854 1.883 -4.590 1.00 0.00 O ATOM 540 CB TYR A 37 82.031 3.989 -6.235 1.00 0.00 C ATOM 541 CG TYR A 37 80.791 4.452 -6.963 1.00 0.00 C ATOM 542 CD1 TYR A 37 79.661 4.866 -6.248 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.766 4.421 -8.363 1.00 0.00 C ATOM 544 CE1 TYR A 37 78.535 5.331 -6.936 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.638 4.882 -9.050 1.00 0.00 C ATOM 546 CZ TYR A 37 78.531 5.353 -8.335 1.00 0.00 C ATOM 547 OH TYR A 37 77.389 5.733 -9.010 1.00 0.00 O ATOM 0 H TYR A 37 81.726 2.711 -3.727 1.00 0.00 H new ATOM 0 HA TYR A 37 81.316 1.995 -6.570 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.200 4.615 -5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 37 82.902 4.102 -6.880 1.00 0.00 H new ATOM 0 HD1 TYR A 37 79.658 4.827 -5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 37 81.616 4.042 -8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 37 77.670 5.673 -6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 37 79.621 4.874 -10.130 1.00 0.00 H new ATOM 0 HH TYR A 37 77.000 4.954 -9.459 1.00 0.00 H new ATOM 557 N GLN A 38 83.770 1.348 -6.777 1.00 0.00 N ATOM 558 CA GLN A 38 85.089 0.727 -6.784 1.00 0.00 C ATOM 559 C GLN A 38 85.947 1.449 -7.815 1.00 0.00 C ATOM 560 O GLN A 38 85.594 1.530 -8.992 1.00 0.00 O ATOM 561 CB GLN A 38 84.994 -0.759 -7.159 1.00 0.00 C ATOM 562 CG GLN A 38 83.607 -1.333 -6.861 1.00 0.00 C ATOM 563 CD GLN A 38 83.419 -1.476 -5.356 1.00 0.00 C ATOM 564 OE1 GLN A 38 83.065 -0.514 -4.673 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.619 -2.641 -4.804 1.00 0.00 N ATOM 0 H GLN A 38 83.286 1.325 -7.674 1.00 0.00 H new ATOM 0 HA GLN A 38 85.527 0.801 -5.789 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.218 -0.881 -8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.747 -1.322 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.837 -0.680 -7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.494 -2.303 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.912 -3.433 -5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 38 83.482 -2.760 -3.800 1.00 0.00 H new ATOM 574 N GLN A 39 87.132 1.867 -7.383 1.00 0.00 N ATOM 575 CA GLN A 39 88.064 2.561 -8.263 1.00 0.00 C ATOM 576 C GLN A 39 89.244 1.661 -8.596 1.00 0.00 C ATOM 577 O GLN A 39 89.910 1.129 -7.709 1.00 0.00 O ATOM 578 CB GLN A 39 88.556 3.854 -7.611 1.00 0.00 C ATOM 579 CG GLN A 39 89.592 4.551 -8.509 1.00 0.00 C ATOM 580 CD GLN A 39 89.227 6.018 -8.710 1.00 0.00 C ATOM 581 OE1 GLN A 39 90.030 6.906 -8.426 1.00 0.00 O ATOM 582 NE2 GLN A 39 88.002 6.321 -9.042 1.00 0.00 N ATOM 0 H GLN A 39 87.469 1.737 -6.429 1.00 0.00 H new ATOM 0 HA GLN A 39 87.543 2.814 -9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.713 4.522 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 39 88.998 3.633 -6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 39 90.582 4.475 -8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.642 4.047 -9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 39 87.340 5.582 -9.277 1.00 0.00 H new ATOM 0 HE22 GLN A 39 87.707 7.297 -9.067 1.00 0.00 H new ATOM 591 N ARG A 40 89.535 1.558 -9.888 1.00 0.00 N ATOM 592 CA ARG A 40 90.673 0.764 -10.336 1.00 0.00 C ATOM 593 C ARG A 40 91.336 1.412 -11.552 1.00 0.00 C ATOM 594 O ARG A 40 90.640 1.850 -12.468 1.00 0.00 O ATOM 595 CB ARG A 40 90.214 -0.649 -10.703 1.00 0.00 C ATOM 596 CG ARG A 40 88.930 -0.598 -11.540 1.00 0.00 C ATOM 597 CD ARG A 40 87.710 -0.825 -10.646 1.00 0.00 C ATOM 598 NE ARG A 40 87.707 -2.195 -10.148 1.00 0.00 N ATOM 599 CZ ARG A 40 86.622 -2.717 -9.586 1.00 0.00 C ATOM 600 NH1 ARG A 40 85.441 -2.423 -10.056 1.00 0.00 N ATOM 601 NH2 ARG A 40 86.743 -3.508 -8.555 1.00 0.00 N ATOM 0 H ARG A 40 89.006 2.008 -10.635 1.00 0.00 H new ATOM 0 HA ARG A 40 91.396 0.714 -9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 40 90.999 -1.159 -11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 40 90.041 -1.228 -9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.850 0.368 -12.039 1.00 0.00 H new ATOM 0 HG3 ARG A 40 88.965 -1.358 -12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 40 87.726 -0.125 -9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 40 86.796 -0.631 -11.207 1.00 0.00 H new ATOM 0 HE ARG A 40 88.551 -2.762 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 40 85.352 -1.793 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 40 84.607 -2.823 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 40 87.668 -3.724 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 40 85.912 -3.911 -8.121 1.00 0.00 H new ATOM 615 N PRO A 41 92.639 1.365 -11.659 1.00 0.00 N ATOM 616 CA PRO A 41 93.364 1.992 -12.802 1.00 0.00 C ATOM 617 C PRO A 41 92.933 1.371 -14.129 1.00 0.00 C ATOM 618 O PRO A 41 92.729 0.160 -14.213 1.00 0.00 O ATOM 619 CB PRO A 41 94.856 1.754 -12.519 1.00 0.00 C ATOM 620 CG PRO A 41 94.968 1.079 -11.187 1.00 0.00 C ATOM 621 CD PRO A 41 93.564 0.940 -10.595 1.00 0.00 C ATOM 0 HA PRO A 41 93.145 3.056 -12.890 1.00 0.00 H new ATOM 0 HB2 PRO A 41 95.299 1.135 -13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 41 95.399 2.699 -12.515 1.00 0.00 H new ATOM 0 HG2 PRO A 41 95.432 0.099 -11.297 1.00 0.00 H new ATOM 0 HG3 PRO A 41 95.605 1.660 -10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 41 93.367 -0.088 -10.292 1.00 0.00 H new ATOM 0 HD3 PRO A 41 93.451 1.561 -9.706 1.00 0.00 H new ATOM 629 N GLY A 42 92.929 2.173 -15.190 1.00 0.00 N ATOM 630 CA GLY A 42 92.591 1.670 -16.517 1.00 0.00 C ATOM 631 C GLY A 42 91.090 1.436 -16.638 1.00 0.00 C ATOM 632 O GLY A 42 90.624 0.802 -17.585 1.00 0.00 O ATOM 0 H GLY A 42 93.154 3.167 -15.157 1.00 0.00 H new ATOM 0 HA2 GLY A 42 92.915 2.383 -17.275 1.00 0.00 H new ATOM 0 HA3 GLY A 42 93.126 0.739 -16.706 1.00 0.00 H new ATOM 636 N SER A 43 90.346 1.886 -15.632 1.00 0.00 N ATOM 637 CA SER A 43 88.895 1.745 -15.642 1.00 0.00 C ATOM 638 C SER A 43 88.251 2.789 -14.738 1.00 0.00 C ATOM 639 O SER A 43 88.753 3.089 -13.655 1.00 0.00 O ATOM 640 CB SER A 43 88.507 0.344 -15.160 1.00 0.00 C ATOM 641 OG SER A 43 87.169 0.361 -14.685 1.00 0.00 O ATOM 0 H SER A 43 90.722 2.349 -14.804 1.00 0.00 H new ATOM 0 HA SER A 43 88.539 1.893 -16.662 1.00 0.00 H new ATOM 0 HB2 SER A 43 88.606 -0.373 -15.975 1.00 0.00 H new ATOM 0 HB3 SER A 43 89.182 0.021 -14.367 1.00 0.00 H new ATOM 0 HG SER A 43 86.920 -0.536 -14.378 1.00 0.00 H new ATOM 647 N SER A 44 87.131 3.339 -15.199 1.00 0.00 N ATOM 648 CA SER A 44 86.440 4.377 -14.442 1.00 0.00 C ATOM 649 C SER A 44 85.668 3.738 -13.290 1.00 0.00 C ATOM 650 O SER A 44 85.227 2.595 -13.400 1.00 0.00 O ATOM 651 CB SER A 44 85.520 5.172 -15.375 1.00 0.00 C ATOM 652 OG SER A 44 85.775 6.564 -15.226 1.00 0.00 O ATOM 0 H SER A 44 86.687 3.087 -16.082 1.00 0.00 H new ATOM 0 HA SER A 44 87.161 5.075 -14.016 1.00 0.00 H new ATOM 0 HB2 SER A 44 85.686 4.870 -16.409 1.00 0.00 H new ATOM 0 HB3 SER A 44 84.477 4.956 -15.144 1.00 0.00 H new ATOM 0 HG SER A 44 85.019 6.988 -14.768 1.00 0.00 H new ATOM 658 N PRO A 45 85.386 4.482 -12.254 1.00 0.00 N ATOM 659 CA PRO A 45 84.644 3.955 -11.074 1.00 0.00 C ATOM 660 C PRO A 45 83.327 3.322 -11.509 1.00 0.00 C ATOM 661 O PRO A 45 82.648 3.849 -12.390 1.00 0.00 O ATOM 662 CB PRO A 45 84.420 5.180 -10.175 1.00 0.00 C ATOM 663 CG PRO A 45 85.040 6.360 -10.857 1.00 0.00 C ATOM 664 CD PRO A 45 85.906 5.835 -12.003 1.00 0.00 C ATOM 0 HA PRO A 45 85.190 3.170 -10.550 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.355 5.347 -10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.871 5.024 -9.195 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.269 7.030 -11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 45 85.644 6.934 -10.154 1.00 0.00 H new ATOM 0 HD2 PRO A 45 85.821 6.465 -12.888 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.960 5.812 -11.728 1.00 0.00 H new ATOM 672 N THR A 46 82.941 2.228 -10.857 1.00 0.00 N ATOM 673 CA THR A 46 81.681 1.558 -11.161 1.00 0.00 C ATOM 674 C THR A 46 80.801 1.490 -9.919 1.00 0.00 C ATOM 675 O THR A 46 81.279 1.234 -8.814 1.00 0.00 O ATOM 676 CB THR A 46 81.945 0.144 -11.681 1.00 0.00 C ATOM 677 OG1 THR A 46 82.908 -0.498 -10.857 1.00 0.00 O ATOM 678 CG2 THR A 46 82.456 0.216 -13.121 1.00 0.00 C ATOM 0 H THR A 46 83.484 1.787 -10.114 1.00 0.00 H new ATOM 0 HA THR A 46 81.165 2.132 -11.930 1.00 0.00 H new ATOM 0 HB THR A 46 81.018 -0.430 -11.657 1.00 0.00 H new ATOM 0 HG1 THR A 46 83.073 -1.404 -11.192 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.644 -0.792 -13.491 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.708 0.699 -13.749 1.00 0.00 H new ATOM 0 HG23 THR A 46 83.381 0.792 -13.150 1.00 0.00 H new ATOM 686 N THR A 47 79.513 1.734 -10.127 1.00 0.00 N ATOM 687 CA THR A 47 78.549 1.663 -9.037 1.00 0.00 C ATOM 688 C THR A 47 78.227 0.208 -8.731 1.00 0.00 C ATOM 689 O THR A 47 77.642 -0.479 -9.564 1.00 0.00 O ATOM 690 CB THR A 47 77.270 2.399 -9.444 1.00 0.00 C ATOM 691 OG1 THR A 47 77.596 3.629 -10.076 1.00 0.00 O ATOM 692 CG2 THR A 47 76.424 2.673 -8.199 1.00 0.00 C ATOM 0 H THR A 47 79.114 1.981 -11.033 1.00 0.00 H new ATOM 0 HA THR A 47 78.971 2.130 -8.147 1.00 0.00 H new ATOM 0 HB THR A 47 76.707 1.779 -10.142 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.213 4.135 -9.507 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.513 3.197 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.164 1.729 -7.721 1.00 0.00 H new ATOM 0 HG23 THR A 47 76.992 3.289 -7.501 1.00 0.00 H new ATOM 700 N VAL A 48 78.493 -0.228 -7.500 1.00 0.00 N ATOM 701 CA VAL A 48 78.220 -1.619 -7.152 1.00 0.00 C ATOM 702 C VAL A 48 76.918 -1.736 -6.365 1.00 0.00 C ATOM 703 O VAL A 48 76.201 -2.718 -6.537 1.00 0.00 O ATOM 704 CB VAL A 48 79.378 -2.185 -6.313 1.00 0.00 C ATOM 705 CG1 VAL A 48 78.928 -3.380 -5.462 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.506 -2.633 -7.245 1.00 0.00 C ATOM 0 H VAL A 48 78.885 0.341 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 48 78.123 -2.190 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 48 79.724 -1.398 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 48 79.773 -3.753 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.134 -3.066 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.557 -4.171 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.329 -3.035 -6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.135 -3.403 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.859 -1.780 -7.825 1.00 0.00 H new ATOM 716 N ILE A 49 76.531 -0.701 -5.627 1.00 0.00 N ATOM 717 CA ILE A 49 75.248 -0.700 -4.946 1.00 0.00 C ATOM 718 C ILE A 49 74.705 0.725 -4.953 1.00 0.00 C ATOM 719 O ILE A 49 75.455 1.686 -4.785 1.00 0.00 O ATOM 720 CB ILE A 49 75.409 -1.269 -3.530 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.399 -2.799 -3.584 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.253 -0.783 -2.656 1.00 0.00 C ATOM 723 CD1 ILE A 49 75.709 -3.382 -2.204 1.00 0.00 C ATOM 0 H ILE A 49 77.087 0.143 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 49 74.529 -1.340 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 49 76.355 -0.930 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.425 -3.151 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.135 -3.149 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.364 -1.185 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.261 0.306 -2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.308 -1.123 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 49 75.698 -4.471 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 49 76.693 -3.044 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.957 -3.047 -1.490 1.00 0.00 H new ATOM 735 N TYR A 50 73.381 0.820 -4.915 1.00 0.00 N ATOM 736 CA TYR A 50 72.705 2.104 -4.788 1.00 0.00 C ATOM 737 C TYR A 50 71.610 2.026 -3.729 1.00 0.00 C ATOM 738 O TYR A 50 71.342 0.960 -3.173 1.00 0.00 O ATOM 739 CB TYR A 50 72.092 2.475 -6.139 1.00 0.00 C ATOM 740 CG TYR A 50 71.453 3.838 -6.044 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.261 4.977 -5.962 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.063 3.974 -6.134 1.00 0.00 C ATOM 743 CE1 TYR A 50 71.675 6.243 -5.845 1.00 0.00 C ATOM 744 CE2 TYR A 50 69.474 5.238 -6.008 1.00 0.00 C ATOM 745 CZ TYR A 50 70.282 6.374 -5.877 1.00 0.00 C ATOM 746 OH TYR A 50 69.707 7.627 -5.895 1.00 0.00 O ATOM 0 H TYR A 50 72.752 0.019 -4.971 1.00 0.00 H new ATOM 0 HA TYR A 50 73.425 2.863 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.861 2.475 -6.912 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.349 1.733 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.336 4.880 -5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.445 3.104 -6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 50 72.298 7.118 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.399 5.337 -6.012 1.00 0.00 H new ATOM 0 HH TYR A 50 68.731 7.539 -5.918 1.00 0.00 H new ATOM 756 N GLU A 51 71.162 3.197 -3.292 1.00 0.00 N ATOM 757 CA GLU A 51 70.229 3.290 -2.176 1.00 0.00 C ATOM 758 C GLU A 51 70.670 2.377 -1.035 1.00 0.00 C ATOM 759 O GLU A 51 69.863 1.823 -0.289 1.00 0.00 O ATOM 760 CB GLU A 51 68.846 2.862 -2.680 1.00 0.00 C ATOM 761 CG GLU A 51 67.810 2.983 -1.555 1.00 0.00 C ATOM 762 CD GLU A 51 66.449 3.389 -2.112 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.307 4.541 -2.486 1.00 0.00 O ATOM 764 OE2 GLU A 51 65.601 2.521 -2.244 1.00 0.00 O ATOM 0 H GLU A 51 71.430 4.095 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 51 70.200 4.312 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.550 3.484 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 51 68.884 1.834 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.724 2.032 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.144 3.721 -0.825 1.00 0.00 H new ATOM 771 N ASP A 52 71.967 2.101 -1.045 1.00 0.00 N ATOM 772 CA ASP A 52 72.590 1.210 -0.074 1.00 0.00 C ATOM 773 C ASP A 52 71.735 -0.039 0.110 1.00 0.00 C ATOM 774 O ASP A 52 71.962 -0.820 1.034 1.00 0.00 O ATOM 775 CB ASP A 52 72.697 1.919 1.279 1.00 0.00 C ATOM 776 CG ASP A 52 71.315 2.123 1.897 1.00 0.00 C ATOM 777 OD1 ASP A 52 70.646 1.133 2.145 1.00 0.00 O ATOM 778 OD2 ASP A 52 70.911 3.266 2.028 1.00 0.00 O ATOM 0 H ASP A 52 72.618 2.489 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 52 73.580 0.935 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.319 1.331 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.189 2.883 1.151 1.00 0.00 H new ATOM 783 N ASN A 53 70.861 -0.308 -0.852 1.00 0.00 N ATOM 784 CA ASN A 53 70.112 -1.559 -0.900 1.00 0.00 C ATOM 785 C ASN A 53 70.276 -2.197 -2.274 1.00 0.00 C ATOM 786 O ASN A 53 70.083 -3.403 -2.426 1.00 0.00 O ATOM 787 CB ASN A 53 68.658 -1.292 -0.494 1.00 0.00 C ATOM 788 CG ASN A 53 67.762 -1.070 -1.706 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.502 0.066 -2.096 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.223 -2.107 -2.286 1.00 0.00 N ATOM 0 H ASN A 53 70.651 0.332 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 53 70.500 -2.285 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.282 -2.135 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.617 -0.416 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.581 -1.978 -3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.443 -3.047 -1.957 1.00 0.00 H new ATOM 797 N GLN A 54 70.217 -1.325 -3.275 1.00 0.00 N ATOM 798 CA GLN A 54 70.085 -1.757 -4.660 1.00 0.00 C ATOM 799 C GLN A 54 71.248 -2.682 -5.012 1.00 0.00 C ATOM 800 O GLN A 54 72.404 -2.332 -4.778 1.00 0.00 O ATOM 801 CB GLN A 54 70.051 -0.528 -5.581 1.00 0.00 C ATOM 802 CG GLN A 54 68.827 -0.554 -6.500 1.00 0.00 C ATOM 803 CD GLN A 54 67.563 -0.478 -5.652 1.00 0.00 C ATOM 804 OE1 GLN A 54 66.452 -0.409 -6.177 1.00 0.00 O ATOM 805 NE2 GLN A 54 67.673 -0.513 -4.353 1.00 0.00 N ATOM 0 H GLN A 54 70.259 -0.313 -3.152 1.00 0.00 H new ATOM 0 HA GLN A 54 69.154 -2.308 -4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 54 70.036 0.380 -4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 54 70.959 -0.497 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 54 68.863 0.283 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 54 68.825 -1.466 -7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 54 68.595 -0.570 -3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 54 66.837 -0.483 -3.769 1.00 0.00 H new ATOM 814 N ARG A 55 70.942 -3.824 -5.621 1.00 0.00 N ATOM 815 CA ARG A 55 71.967 -4.747 -6.098 1.00 0.00 C ATOM 816 C ARG A 55 71.859 -4.870 -7.617 1.00 0.00 C ATOM 817 O ARG A 55 70.956 -5.554 -8.102 1.00 0.00 O ATOM 818 CB ARG A 55 71.772 -6.117 -5.432 1.00 0.00 C ATOM 819 CG ARG A 55 72.743 -6.307 -4.260 1.00 0.00 C ATOM 820 CD ARG A 55 72.341 -5.413 -3.084 1.00 0.00 C ATOM 821 NE ARG A 55 72.861 -5.961 -1.837 1.00 0.00 N ATOM 822 CZ ARG A 55 72.161 -6.837 -1.127 1.00 0.00 C ATOM 823 NH1 ARG A 55 71.249 -7.564 -1.709 1.00 0.00 N ATOM 824 NH2 ARG A 55 72.416 -7.002 0.139 1.00 0.00 N ATOM 0 H ARG A 55 69.986 -4.134 -5.797 1.00 0.00 H new ATOM 0 HA ARG A 55 72.958 -4.373 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 55 70.746 -6.209 -5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.926 -6.907 -6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 55 72.746 -7.351 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 55 73.758 -6.067 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 55 72.726 -4.405 -3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 55 71.255 -5.335 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 55 73.779 -5.666 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 55 71.074 -7.459 -2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 55 70.710 -8.238 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 55 73.154 -6.458 0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.878 -7.675 0.684 1.00 0.00 H new ATOM 838 N PRO A 56 72.780 -4.338 -8.377 1.00 0.00 N ATOM 839 CA PRO A 56 72.771 -4.512 -9.856 1.00 0.00 C ATOM 840 C PRO A 56 73.128 -5.942 -10.251 1.00 0.00 C ATOM 841 O PRO A 56 74.091 -6.513 -9.740 1.00 0.00 O ATOM 842 CB PRO A 56 73.795 -3.500 -10.388 1.00 0.00 C ATOM 843 CG PRO A 56 74.245 -2.681 -9.220 1.00 0.00 C ATOM 844 CD PRO A 56 73.884 -3.461 -7.954 1.00 0.00 C ATOM 0 HA PRO A 56 71.782 -4.336 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.640 -4.012 -10.849 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.349 -2.866 -11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.319 -2.501 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 56 73.758 -1.706 -9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.732 -4.037 -7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.577 -2.794 -7.148 1.00 0.00 H new ATOM 852 N SER A 57 72.507 -6.414 -11.325 1.00 0.00 N ATOM 853 CA SER A 57 72.813 -7.744 -11.837 1.00 0.00 C ATOM 854 C SER A 57 74.171 -7.752 -12.528 1.00 0.00 C ATOM 855 O SER A 57 74.762 -8.810 -12.737 1.00 0.00 O ATOM 856 CB SER A 57 71.729 -8.185 -12.822 1.00 0.00 C ATOM 857 OG SER A 57 70.454 -8.000 -12.225 1.00 0.00 O ATOM 0 H SER A 57 71.798 -5.904 -11.852 1.00 0.00 H new ATOM 0 HA SER A 57 72.844 -8.440 -10.998 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.800 -7.606 -13.743 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.869 -9.232 -13.092 1.00 0.00 H new ATOM 0 HG SER A 57 69.755 -8.279 -12.853 1.00 0.00 H new ATOM 863 N GLY A 58 74.592 -6.583 -12.998 1.00 0.00 N ATOM 864 CA GLY A 58 75.850 -6.470 -13.724 1.00 0.00 C ATOM 865 C GLY A 58 77.038 -6.710 -12.798 1.00 0.00 C ATOM 866 O GLY A 58 78.013 -7.351 -13.192 1.00 0.00 O ATOM 0 H GLY A 58 74.084 -5.705 -12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.869 -7.192 -14.541 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.928 -5.479 -14.172 1.00 0.00 H new ATOM 870 N VAL A 59 76.877 -6.380 -11.518 1.00 0.00 N ATOM 871 CA VAL A 59 77.953 -6.576 -10.550 1.00 0.00 C ATOM 872 C VAL A 59 77.606 -7.754 -9.642 1.00 0.00 C ATOM 873 O VAL A 59 76.443 -7.917 -9.268 1.00 0.00 O ATOM 874 CB VAL A 59 78.156 -5.320 -9.700 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.396 -4.119 -10.619 1.00 0.00 C ATOM 876 CG2 VAL A 59 76.916 -5.080 -8.837 1.00 0.00 C ATOM 0 H VAL A 59 76.022 -5.980 -11.131 1.00 0.00 H new ATOM 0 HA VAL A 59 78.877 -6.780 -11.091 1.00 0.00 H new ATOM 0 HB VAL A 59 79.021 -5.452 -9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.541 -3.223 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.285 -4.296 -11.225 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.534 -3.982 -11.271 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.062 -4.185 -8.232 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.046 -4.946 -9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.756 -5.938 -8.184 1.00 0.00 H new ATOM 886 N PRO A 60 78.576 -8.491 -9.171 1.00 0.00 N ATOM 887 CA PRO A 60 78.309 -9.671 -8.301 1.00 0.00 C ATOM 888 C PRO A 60 77.557 -9.251 -7.039 1.00 0.00 C ATOM 889 O PRO A 60 77.924 -8.269 -6.394 1.00 0.00 O ATOM 890 CB PRO A 60 79.698 -10.231 -7.959 1.00 0.00 C ATOM 891 CG PRO A 60 80.721 -9.401 -8.670 1.00 0.00 C ATOM 892 CD PRO A 60 79.984 -8.425 -9.591 1.00 0.00 C ATOM 0 HA PRO A 60 77.683 -10.415 -8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 60 79.866 -10.202 -6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 60 79.774 -11.274 -8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.336 -8.857 -7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 60 81.392 -10.036 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.378 -7.414 -9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.097 -8.709 -10.637 1.00 0.00 H new ATOM 900 N ASP A 61 76.449 -9.926 -6.749 1.00 0.00 N ATOM 901 CA ASP A 61 75.701 -9.655 -5.526 1.00 0.00 C ATOM 902 C ASP A 61 76.543 -9.915 -4.280 1.00 0.00 C ATOM 903 O ASP A 61 76.045 -9.834 -3.158 1.00 0.00 O ATOM 904 CB ASP A 61 74.424 -10.495 -5.489 1.00 0.00 C ATOM 905 CG ASP A 61 73.459 -10.002 -6.563 1.00 0.00 C ATOM 906 OD1 ASP A 61 73.667 -8.912 -7.072 1.00 0.00 O ATOM 907 OD2 ASP A 61 72.491 -10.695 -6.829 1.00 0.00 O ATOM 0 H ASP A 61 76.052 -10.658 -7.338 1.00 0.00 H new ATOM 0 HA ASP A 61 75.434 -8.598 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 61 74.662 -11.546 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.958 -10.424 -4.506 1.00 0.00 H new ATOM 912 N ARG A 62 77.781 -10.351 -4.487 1.00 0.00 N ATOM 913 CA ARG A 62 78.686 -10.632 -3.379 1.00 0.00 C ATOM 914 C ARG A 62 78.623 -9.534 -2.323 1.00 0.00 C ATOM 915 O ARG A 62 78.889 -9.784 -1.147 1.00 0.00 O ATOM 916 CB ARG A 62 80.116 -10.750 -3.915 1.00 0.00 C ATOM 917 CG ARG A 62 80.326 -12.118 -4.573 1.00 0.00 C ATOM 918 CD ARG A 62 81.678 -12.129 -5.289 1.00 0.00 C ATOM 919 NE ARG A 62 82.740 -11.704 -4.382 1.00 0.00 N ATOM 920 CZ ARG A 62 83.534 -10.674 -4.662 1.00 0.00 C ATOM 921 NH1 ARG A 62 83.088 -9.457 -4.513 1.00 0.00 N ATOM 922 NH2 ARG A 62 84.724 -10.873 -5.161 1.00 0.00 N ATOM 0 H ARG A 62 78.180 -10.517 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 62 78.382 -11.568 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.307 -9.958 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 62 80.829 -10.617 -3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 62 80.293 -12.906 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 62 79.524 -12.321 -5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.890 -13.131 -5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.644 -11.467 -6.154 1.00 0.00 H new ATOM 0 HE ARG A 62 82.877 -12.212 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 62 82.136 -9.300 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 62 83.692 -8.663 -4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 62 85.050 -11.823 -5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 62 85.327 -10.078 -5.373 1.00 0.00 H new ATOM 936 N PHE A 63 78.206 -8.340 -2.726 1.00 0.00 N ATOM 937 CA PHE A 63 78.143 -7.222 -1.794 1.00 0.00 C ATOM 938 C PHE A 63 76.886 -7.334 -0.944 1.00 0.00 C ATOM 939 O PHE A 63 75.829 -7.717 -1.442 1.00 0.00 O ATOM 940 CB PHE A 63 78.132 -5.888 -2.543 1.00 0.00 C ATOM 941 CG PHE A 63 79.496 -5.628 -3.134 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.993 -6.471 -4.134 1.00 0.00 C ATOM 943 CD2 PHE A 63 80.264 -4.546 -2.687 1.00 0.00 C ATOM 944 CE1 PHE A 63 81.201 -6.163 -4.770 1.00 0.00 C ATOM 945 CE2 PHE A 63 81.527 -4.311 -3.239 1.00 0.00 C ATOM 946 CZ PHE A 63 82.007 -5.135 -4.266 1.00 0.00 C ATOM 0 H PHE A 63 77.910 -8.123 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 63 79.026 -7.257 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.381 -5.909 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 63 77.859 -5.080 -1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 63 79.445 -7.358 -4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 63 79.881 -3.893 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 63 81.510 -6.715 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 63 82.133 -3.495 -2.874 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.997 -4.977 -4.668 1.00 0.00 H new ATOM 956 N SER A 64 77.007 -7.005 0.337 1.00 0.00 N ATOM 957 CA SER A 64 75.859 -7.063 1.236 1.00 0.00 C ATOM 958 C SER A 64 75.685 -5.738 1.965 1.00 0.00 C ATOM 959 O SER A 64 76.419 -5.431 2.897 1.00 0.00 O ATOM 960 CB SER A 64 76.035 -8.201 2.242 1.00 0.00 C ATOM 961 OG SER A 64 74.777 -8.569 2.784 1.00 0.00 O ATOM 0 H SER A 64 77.877 -6.699 0.773 1.00 0.00 H new ATOM 0 HA SER A 64 74.964 -7.252 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.495 -9.060 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.708 -7.890 3.041 1.00 0.00 H new ATOM 0 HG SER A 64 74.898 -9.299 3.426 1.00 0.00 H new ATOM 967 N GLY A 65 74.495 -5.186 1.783 1.00 0.00 N ATOM 968 CA GLY A 65 74.122 -3.917 2.388 1.00 0.00 C ATOM 969 C GLY A 65 73.271 -4.158 3.630 1.00 0.00 C ATOM 970 O GLY A 65 72.328 -4.948 3.587 1.00 0.00 O ATOM 0 H GLY A 65 73.761 -5.605 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.017 -3.355 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.568 -3.312 1.670 1.00 0.00 H new ATOM 974 N SER A 66 73.696 -3.608 4.763 1.00 0.00 N ATOM 975 CA SER A 66 72.957 -3.815 6.001 1.00 0.00 C ATOM 976 C SER A 66 73.294 -2.743 7.030 1.00 0.00 C ATOM 977 O SER A 66 74.233 -1.967 6.857 1.00 0.00 O ATOM 978 CB SER A 66 73.288 -5.195 6.568 1.00 0.00 C ATOM 979 OG SER A 66 74.490 -5.122 7.324 1.00 0.00 O ATOM 0 H SER A 66 74.530 -3.028 4.849 1.00 0.00 H new ATOM 0 HA SER A 66 71.892 -3.750 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.471 -5.547 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.399 -5.916 5.758 1.00 0.00 H new ATOM 0 HG SER A 66 75.113 -4.504 6.888 1.00 0.00 H new ATOM 985 N ILE A 67 72.473 -2.658 8.071 1.00 0.00 N ATOM 986 CA ILE A 67 72.647 -1.628 9.087 1.00 0.00 C ATOM 987 C ILE A 67 72.119 -2.111 10.435 1.00 0.00 C ATOM 988 O ILE A 67 71.668 -3.250 10.556 1.00 0.00 O ATOM 989 CB ILE A 67 71.893 -0.361 8.680 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.426 -0.689 8.371 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.555 0.273 7.451 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.624 -1.013 9.636 1.00 0.00 C ATOM 0 H ILE A 67 71.685 -3.286 8.233 1.00 0.00 H new ATOM 0 HA ILE A 67 73.712 -1.411 9.176 1.00 0.00 H new ATOM 0 HB ILE A 67 71.928 0.346 9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 67 69.967 0.157 7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.382 -1.537 7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.011 1.174 7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.588 0.531 7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.538 -0.435 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.592 -1.238 9.365 1.00 0.00 H new ATOM 0 HD12 ILE A 67 70.065 -1.876 10.135 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.644 -0.156 10.309 1.00 0.00 H new ATOM 1004 N ASP A 68 72.457 -1.368 11.484 1.00 0.00 N ATOM 1005 CA ASP A 68 71.929 -1.626 12.820 1.00 0.00 C ATOM 1006 C ASP A 68 70.846 -0.631 13.231 1.00 0.00 C ATOM 1007 O ASP A 68 70.920 0.554 12.907 1.00 0.00 O ATOM 1008 CB ASP A 68 73.093 -1.625 13.809 1.00 0.00 C ATOM 1009 CG ASP A 68 74.049 -2.756 13.441 1.00 0.00 C ATOM 1010 OD1 ASP A 68 73.594 -3.884 13.352 1.00 0.00 O ATOM 1011 OD2 ASP A 68 75.214 -2.474 13.212 1.00 0.00 O ATOM 0 H ASP A 68 73.099 -0.577 11.434 1.00 0.00 H new ATOM 0 HA ASP A 68 71.441 -2.601 12.818 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.612 -0.667 13.780 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.725 -1.758 14.826 1.00 0.00 H new ATOM 1016 N SER A 69 69.955 -1.075 14.113 1.00 0.00 N ATOM 1017 CA SER A 69 68.925 -0.192 14.651 1.00 0.00 C ATOM 1018 C SER A 69 69.530 0.854 15.583 1.00 0.00 C ATOM 1019 O SER A 69 68.829 1.461 16.390 1.00 0.00 O ATOM 1020 CB SER A 69 67.875 -1.005 15.411 1.00 0.00 C ATOM 1021 OG SER A 69 67.390 -2.042 14.571 1.00 0.00 O ATOM 0 H SER A 69 69.925 -2.031 14.467 1.00 0.00 H new ATOM 0 HA SER A 69 68.453 0.320 13.812 1.00 0.00 H new ATOM 0 HB2 SER A 69 68.310 -1.428 16.316 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.054 -0.360 15.723 1.00 0.00 H new ATOM 0 HG SER A 69 66.718 -2.567 15.054 1.00 0.00 H new ATOM 1027 N SER A 70 70.851 0.986 15.546 1.00 0.00 N ATOM 1028 CA SER A 70 71.553 1.950 16.384 1.00 0.00 C ATOM 1029 C SER A 70 71.636 3.303 15.685 1.00 0.00 C ATOM 1030 O SER A 70 71.674 4.340 16.349 1.00 0.00 O ATOM 1031 CB SER A 70 72.961 1.435 16.694 1.00 0.00 C ATOM 1032 OG SER A 70 72.886 0.492 17.754 1.00 0.00 O ATOM 0 H SER A 70 71.460 0.434 14.941 1.00 0.00 H new ATOM 0 HA SER A 70 71.001 2.074 17.316 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.396 0.972 15.808 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.612 2.264 16.973 1.00 0.00 H new ATOM 0 HG SER A 70 73.784 0.156 17.957 1.00 0.00 H new ATOM 1038 N SER A 71 71.913 3.270 14.385 1.00 0.00 N ATOM 1039 CA SER A 71 72.066 4.499 13.616 1.00 0.00 C ATOM 1040 C SER A 71 73.450 5.098 13.855 1.00 0.00 C ATOM 1041 O SER A 71 73.598 6.316 13.966 1.00 0.00 O ATOM 1042 CB SER A 71 70.969 5.507 13.969 1.00 0.00 C ATOM 1043 OG SER A 71 69.762 4.808 14.230 1.00 0.00 O ATOM 0 H SER A 71 72.035 2.413 13.846 1.00 0.00 H new ATOM 0 HA SER A 71 71.968 4.259 12.557 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.262 6.091 14.842 1.00 0.00 H new ATOM 0 HB3 SER A 71 70.826 6.210 13.148 1.00 0.00 H new ATOM 0 HG SER A 71 69.056 5.448 14.458 1.00 0.00 H new ATOM 1049 N ASN A 72 74.402 4.225 14.173 1.00 0.00 N ATOM 1050 CA ASN A 72 75.735 4.659 14.575 1.00 0.00 C ATOM 1051 C ASN A 72 76.693 4.579 13.391 1.00 0.00 C ATOM 1052 O ASN A 72 77.603 5.395 13.255 1.00 0.00 O ATOM 1053 CB ASN A 72 76.246 3.761 15.703 1.00 0.00 C ATOM 1054 CG ASN A 72 77.425 4.430 16.403 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.564 3.980 16.279 1.00 0.00 O ATOM 1056 ND2 ASN A 72 77.220 5.511 17.107 1.00 0.00 N ATOM 0 H ASN A 72 74.274 3.213 14.160 1.00 0.00 H new ATOM 0 HA ASN A 72 75.682 5.691 14.921 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.447 3.571 16.419 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.551 2.795 15.301 1.00 0.00 H new ATOM 0 HD21 ASN A 72 78.005 5.984 17.555 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.275 5.882 17.208 1.00 0.00 H new ATOM 1063 N SER A 73 76.477 3.587 12.532 1.00 0.00 N ATOM 1064 CA SER A 73 77.308 3.429 11.343 1.00 0.00 C ATOM 1065 C SER A 73 76.656 2.469 10.351 1.00 0.00 C ATOM 1066 O SER A 73 75.923 1.569 10.763 1.00 0.00 O ATOM 1067 CB SER A 73 78.684 2.899 11.748 1.00 0.00 C ATOM 1068 OG SER A 73 78.537 1.592 12.280 1.00 0.00 O ATOM 0 H SER A 73 75.742 2.887 12.635 1.00 0.00 H new ATOM 0 HA SER A 73 77.416 4.401 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.350 2.882 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.138 3.558 12.488 1.00 0.00 H new ATOM 0 HG SER A 73 79.415 1.244 12.541 1.00 0.00 H new ATOM 1074 N ALA A 74 77.185 2.413 9.132 1.00 0.00 N ATOM 1075 CA ALA A 74 76.617 1.540 8.109 1.00 0.00 C ATOM 1076 C ALA A 74 77.574 0.388 7.830 1.00 0.00 C ATOM 1077 O ALA A 74 78.786 0.587 7.740 1.00 0.00 O ATOM 1078 CB ALA A 74 76.401 2.312 6.807 1.00 0.00 C ATOM 0 H ALA A 74 77.996 2.954 8.831 1.00 0.00 H new ATOM 0 HA ALA A 74 75.662 1.162 8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 74 75.977 1.646 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 74 75.716 3.141 6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.356 2.700 6.451 1.00 0.00 H new ATOM 1084 N SER A 75 77.026 -0.824 7.839 1.00 0.00 N ATOM 1085 CA SER A 75 77.850 -2.033 7.761 1.00 0.00 C ATOM 1086 C SER A 75 77.404 -3.000 6.667 1.00 0.00 C ATOM 1087 O SER A 75 76.200 -3.101 6.432 1.00 0.00 O ATOM 1088 CB SER A 75 77.759 -2.794 9.083 1.00 0.00 C ATOM 1089 OG SER A 75 78.054 -1.920 10.163 1.00 0.00 O ATOM 0 H SER A 75 76.023 -0.998 7.899 1.00 0.00 H new ATOM 0 HA SER A 75 78.862 -1.694 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.760 -3.212 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.457 -3.631 9.080 1.00 0.00 H new ATOM 0 HG SER A 75 77.993 -2.412 11.008 1.00 0.00 H new ATOM 1095 N LEU A 76 78.261 -3.139 5.662 1.00 0.00 N ATOM 1096 CA LEU A 76 78.145 -4.176 4.638 1.00 0.00 C ATOM 1097 C LEU A 76 79.013 -5.422 4.820 1.00 0.00 C ATOM 1098 O LEU A 76 80.224 -5.281 4.950 1.00 0.00 O ATOM 1099 CB LEU A 76 78.270 -3.511 3.267 1.00 0.00 C ATOM 1100 CG LEU A 76 78.882 -4.461 2.229 1.00 0.00 C ATOM 1101 CD1 LEU A 76 78.428 -3.997 0.841 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.415 -4.434 2.331 1.00 0.00 C ATOM 0 H LEU A 76 79.067 -2.528 5.532 1.00 0.00 H new ATOM 0 HA LEU A 76 77.156 -4.623 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.286 -3.187 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 76 78.888 -2.617 3.351 1.00 0.00 H new ATOM 0 HG LEU A 76 78.552 -5.485 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 76 78.849 -4.656 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.340 -4.028 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 76 78.772 -2.977 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 76 80.841 -5.111 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 76 80.774 -3.422 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 76 80.719 -4.750 3.329 1.00 0.00 H new ATOM 1114 N THR A 77 78.479 -6.606 4.519 1.00 0.00 N ATOM 1115 CA THR A 77 79.305 -7.795 4.288 1.00 0.00 C ATOM 1116 C THR A 77 79.533 -8.126 2.808 1.00 0.00 C ATOM 1117 O THR A 77 78.610 -8.507 2.094 1.00 0.00 O ATOM 1118 CB THR A 77 78.640 -8.979 4.990 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.604 -8.724 6.387 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.424 -10.266 4.729 1.00 0.00 C ATOM 0 H THR A 77 77.476 -6.769 4.429 1.00 0.00 H new ATOM 0 HA THR A 77 80.295 -7.586 4.694 1.00 0.00 H new ATOM 0 HB THR A 77 77.629 -9.102 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.511 -8.538 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.936 -11.098 5.236 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.455 -10.462 3.657 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.440 -10.156 5.107 1.00 0.00 H new ATOM 1128 N ILE A 78 80.793 -8.292 2.415 1.00 0.00 N ATOM 1129 CA ILE A 78 81.134 -8.758 1.070 1.00 0.00 C ATOM 1130 C ILE A 78 81.650 -10.193 1.138 1.00 0.00 C ATOM 1131 O ILE A 78 82.805 -10.433 1.485 1.00 0.00 O ATOM 1132 CB ILE A 78 82.184 -7.818 0.460 1.00 0.00 C ATOM 1133 CG1 ILE A 78 81.497 -6.598 -0.173 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.013 -8.523 -0.621 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.417 -5.382 -0.069 1.00 0.00 C ATOM 0 H ILE A 78 81.600 -8.110 3.011 1.00 0.00 H new ATOM 0 HA ILE A 78 80.249 -8.747 0.434 1.00 0.00 H new ATOM 0 HB ILE A 78 82.847 -7.506 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.262 -6.801 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 78 80.552 -6.397 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 78 83.745 -7.827 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.529 -9.378 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.354 -8.866 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 78 81.929 -4.517 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 78 82.629 -5.175 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 78 83.350 -5.586 -0.594 1.00 0.00 H new ATOM 1147 N SER A 79 80.832 -11.141 0.691 1.00 0.00 N ATOM 1148 CA SER A 79 81.235 -12.543 0.699 1.00 0.00 C ATOM 1149 C SER A 79 81.647 -12.992 -0.699 1.00 0.00 C ATOM 1150 O SER A 79 81.250 -12.394 -1.699 1.00 0.00 O ATOM 1151 CB SER A 79 80.072 -13.408 1.189 1.00 0.00 C ATOM 1152 OG SER A 79 79.265 -13.783 0.081 1.00 0.00 O ATOM 0 H SER A 79 79.897 -10.967 0.323 1.00 0.00 H new ATOM 0 HA SER A 79 82.088 -12.656 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 79 80.452 -14.296 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 79 79.476 -12.858 1.917 1.00 0.00 H new ATOM 0 HG SER A 79 78.520 -14.339 0.392 1.00 0.00 H new ATOM 1158 N GLY A 80 82.490 -14.016 -0.763 1.00 0.00 N ATOM 1159 CA GLY A 80 82.949 -14.520 -2.052 1.00 0.00 C ATOM 1160 C GLY A 80 84.065 -13.643 -2.605 1.00 0.00 C ATOM 1161 O GLY A 80 84.333 -13.639 -3.806 1.00 0.00 O ATOM 0 H GLY A 80 82.865 -14.507 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.305 -15.544 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.117 -14.546 -2.756 1.00 0.00 H new ATOM 1165 N LEU A 81 84.774 -12.973 -1.706 1.00 0.00 N ATOM 1166 CA LEU A 81 85.920 -12.164 -2.101 1.00 0.00 C ATOM 1167 C LEU A 81 86.958 -13.016 -2.824 1.00 0.00 C ATOM 1168 O LEU A 81 87.326 -14.097 -2.364 1.00 0.00 O ATOM 1169 CB LEU A 81 86.531 -11.526 -0.852 1.00 0.00 C ATOM 1170 CG LEU A 81 87.871 -10.859 -1.191 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.974 -9.496 -0.507 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.038 -11.750 -0.757 1.00 0.00 C ATOM 0 H LEU A 81 84.578 -12.973 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 81 85.591 -11.384 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.844 -10.787 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.680 -12.285 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 81 87.920 -10.717 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.930 -9.035 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.161 -8.855 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.904 -9.625 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.980 -11.262 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.988 -11.917 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.978 -12.707 -1.276 1.00 0.00 H new ATOM 1184 N LYS A 82 87.516 -12.453 -3.891 1.00 0.00 N ATOM 1185 CA LYS A 82 88.576 -13.115 -4.640 1.00 0.00 C ATOM 1186 C LYS A 82 89.510 -12.087 -5.266 1.00 0.00 C ATOM 1187 O LYS A 82 89.192 -10.899 -5.319 1.00 0.00 O ATOM 1188 CB LYS A 82 87.950 -14.009 -5.719 1.00 0.00 C ATOM 1189 CG LYS A 82 88.499 -15.433 -5.613 1.00 0.00 C ATOM 1190 CD LYS A 82 87.730 -16.340 -6.575 1.00 0.00 C ATOM 1191 CE LYS A 82 88.298 -17.759 -6.500 1.00 0.00 C ATOM 1192 NZ LYS A 82 89.576 -17.806 -7.263 1.00 0.00 N ATOM 0 H LYS A 82 87.251 -11.538 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 82 89.166 -13.732 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.866 -14.021 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 82 88.164 -13.602 -6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.562 -15.445 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.400 -15.799 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.671 -16.346 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.808 -15.958 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 82 88.468 -18.043 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 82 87.585 -18.473 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 89.616 -18.684 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 89.629 -16.988 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 90.377 -17.779 -6.600 1.00 0.00 H new ATOM 1206 N THR A 83 90.552 -12.593 -5.920 1.00 0.00 N ATOM 1207 CA THR A 83 91.469 -11.727 -6.651 1.00 0.00 C ATOM 1208 C THR A 83 90.671 -10.735 -7.489 1.00 0.00 C ATOM 1209 O THR A 83 91.212 -9.746 -7.987 1.00 0.00 O ATOM 1210 CB THR A 83 92.403 -12.547 -7.542 1.00 0.00 C ATOM 1211 OG1 THR A 83 93.068 -11.678 -8.448 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.605 -13.589 -8.330 1.00 0.00 C ATOM 0 H THR A 83 90.780 -13.586 -5.958 1.00 0.00 H new ATOM 0 HA THR A 83 92.084 -11.183 -5.935 1.00 0.00 H new ATOM 0 HB THR A 83 93.133 -13.060 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.634 -10.800 -8.437 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.282 -14.166 -8.960 1.00 0.00 H new ATOM 0 HG22 THR A 83 91.096 -14.258 -7.636 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.868 -13.086 -8.955 1.00 0.00 H new ATOM 1220 N GLU A 84 89.420 -11.096 -7.757 1.00 0.00 N ATOM 1221 CA GLU A 84 88.533 -10.228 -8.522 1.00 0.00 C ATOM 1222 C GLU A 84 88.099 -9.013 -7.708 1.00 0.00 C ATOM 1223 O GLU A 84 88.010 -7.905 -8.238 1.00 0.00 O ATOM 1224 CB GLU A 84 87.297 -11.009 -8.969 1.00 0.00 C ATOM 1225 CG GLU A 84 87.692 -12.181 -9.881 1.00 0.00 C ATOM 1226 CD GLU A 84 86.857 -12.198 -11.158 1.00 0.00 C ATOM 1227 OE1 GLU A 84 86.738 -11.153 -11.776 1.00 0.00 O ATOM 1228 OE2 GLU A 84 86.362 -13.260 -11.504 1.00 0.00 O ATOM 0 H GLU A 84 89.000 -11.976 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 84 89.084 -9.875 -9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.764 -11.385 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.613 -10.345 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 84 88.749 -12.105 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.560 -13.121 -9.346 1.00 0.00 H new ATOM 1235 N ASP A 85 87.847 -9.214 -6.418 1.00 0.00 N ATOM 1236 CA ASP A 85 87.386 -8.114 -5.577 1.00 0.00 C ATOM 1237 C ASP A 85 88.530 -7.128 -5.361 1.00 0.00 C ATOM 1238 O ASP A 85 88.319 -5.983 -4.963 1.00 0.00 O ATOM 1239 CB ASP A 85 86.912 -8.677 -4.228 1.00 0.00 C ATOM 1240 CG ASP A 85 85.492 -8.245 -3.872 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.951 -7.388 -4.549 1.00 0.00 O ATOM 1242 OD2 ASP A 85 84.962 -8.790 -2.919 1.00 0.00 O ATOM 0 H ASP A 85 87.951 -10.109 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 85 86.558 -7.596 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.959 -9.766 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.594 -8.350 -3.443 1.00 0.00 H new ATOM 1247 N GLU A 86 89.734 -7.557 -5.714 1.00 0.00 N ATOM 1248 CA GLU A 86 90.901 -6.705 -5.532 1.00 0.00 C ATOM 1249 C GLU A 86 90.670 -5.345 -6.177 1.00 0.00 C ATOM 1250 O GLU A 86 90.385 -5.263 -7.370 1.00 0.00 O ATOM 1251 CB GLU A 86 92.120 -7.375 -6.168 1.00 0.00 C ATOM 1252 CG GLU A 86 93.389 -6.629 -5.755 1.00 0.00 C ATOM 1253 CD GLU A 86 94.613 -7.336 -6.323 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.454 -8.428 -6.844 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.679 -6.748 -6.273 1.00 0.00 O ATOM 0 H GLU A 86 89.927 -8.472 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 86 91.074 -6.561 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.180 -8.417 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 86 92.023 -7.374 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.351 -5.601 -6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.457 -6.582 -4.668 1.00 0.00 H new ATOM 1262 N ALA A 87 90.784 -4.291 -5.376 1.00 0.00 N ATOM 1263 CA ALA A 87 90.606 -2.935 -5.882 1.00 0.00 C ATOM 1264 C ALA A 87 90.407 -1.969 -4.718 1.00 0.00 C ATOM 1265 O ALA A 87 90.420 -2.366 -3.553 1.00 0.00 O ATOM 1266 CB ALA A 87 89.404 -2.879 -6.831 1.00 0.00 C ATOM 0 H ALA A 87 90.997 -4.348 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 87 91.499 -2.642 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.281 -1.862 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.571 -3.554 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.504 -3.181 -6.296 1.00 0.00 H new ATOM 1272 N ASP A 88 90.198 -0.699 -5.048 1.00 0.00 N ATOM 1273 CA ASP A 88 89.937 0.319 -4.036 1.00 0.00 C ATOM 1274 C ASP A 88 88.439 0.455 -3.781 1.00 0.00 C ATOM 1275 O ASP A 88 87.674 0.709 -4.710 1.00 0.00 O ATOM 1276 CB ASP A 88 90.499 1.660 -4.512 1.00 0.00 C ATOM 1277 CG ASP A 88 90.212 2.743 -3.478 1.00 0.00 C ATOM 1278 OD1 ASP A 88 90.834 2.708 -2.430 1.00 0.00 O ATOM 1279 OD2 ASP A 88 89.445 3.640 -3.789 1.00 0.00 O ATOM 0 H ASP A 88 90.204 -0.350 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 88 90.421 0.021 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 88 91.574 1.576 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.053 1.932 -5.469 1.00 0.00 H new ATOM 1284 N TYR A 89 88.047 0.468 -2.509 1.00 0.00 N ATOM 1285 CA TYR A 89 86.636 0.557 -2.152 1.00 0.00 C ATOM 1286 C TYR A 89 86.362 1.890 -1.466 1.00 0.00 C ATOM 1287 O TYR A 89 87.070 2.276 -0.534 1.00 0.00 O ATOM 1288 CB TYR A 89 86.251 -0.583 -1.204 1.00 0.00 C ATOM 1289 CG TYR A 89 86.258 -1.899 -1.947 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.466 -2.417 -2.434 1.00 0.00 C ATOM 1291 CD2 TYR A 89 85.086 -2.659 -2.045 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.497 -3.665 -3.064 1.00 0.00 C ATOM 1293 CE2 TYR A 89 85.110 -3.890 -2.708 1.00 0.00 C ATOM 1294 CZ TYR A 89 86.317 -4.406 -3.190 1.00 0.00 C ATOM 1295 OH TYR A 89 86.316 -5.600 -3.881 1.00 0.00 O ATOM 0 H TYR A 89 88.684 0.418 -1.714 1.00 0.00 H new ATOM 0 HA TYR A 89 86.043 0.480 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 89 86.950 -0.624 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.262 -0.399 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.378 -1.849 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.167 -2.296 -1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.427 -4.055 -3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 89 84.194 -4.444 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 89 86.974 -5.559 -4.606 1.00 0.00 H new ATOM 1305 N TYR A 90 85.293 2.561 -1.888 1.00 0.00 N ATOM 1306 CA TYR A 90 84.917 3.841 -1.294 1.00 0.00 C ATOM 1307 C TYR A 90 83.406 4.054 -1.381 1.00 0.00 C ATOM 1308 O TYR A 90 82.836 3.872 -2.457 1.00 0.00 O ATOM 1309 CB TYR A 90 85.705 4.961 -1.982 1.00 0.00 C ATOM 1310 CG TYR A 90 85.211 5.186 -3.392 1.00 0.00 C ATOM 1311 CD1 TYR A 90 85.593 4.313 -4.421 1.00 0.00 C ATOM 1312 CD2 TYR A 90 84.572 6.392 -3.710 1.00 0.00 C ATOM 1313 CE1 TYR A 90 85.183 4.566 -5.736 1.00 0.00 C ATOM 1314 CE2 TYR A 90 84.222 6.676 -5.034 1.00 0.00 C ATOM 1315 CZ TYR A 90 84.582 5.790 -6.052 1.00 0.00 C ATOM 1316 OH TYR A 90 84.122 6.026 -7.330 1.00 0.00 O ATOM 0 H TYR A 90 84.675 2.242 -2.634 1.00 0.00 H new ATOM 0 HA TYR A 90 85.169 3.848 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 90 85.609 5.883 -1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 90 86.765 4.706 -2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.201 3.448 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 90 84.349 7.105 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.330 3.820 -6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 90 83.675 7.577 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 90 83.732 6.924 -7.377 1.00 0.00 H new ATOM 1326 N CYS A 91 82.832 4.696 -0.358 1.00 0.00 N ATOM 1327 CA CYS A 91 81.387 4.924 -0.260 1.00 0.00 C ATOM 1328 C CYS A 91 81.155 6.433 -0.245 1.00 0.00 C ATOM 1329 O CYS A 91 81.906 7.161 0.405 1.00 0.00 O ATOM 1330 CB CYS A 91 80.676 4.298 0.969 1.00 0.00 C ATOM 1331 SG CYS A 91 81.701 3.915 2.428 1.00 0.00 S ATOM 0 H CYS A 91 83.360 5.074 0.429 1.00 0.00 H new ATOM 0 HA CYS A 91 80.947 4.421 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.885 4.979 1.283 1.00 0.00 H new ATOM 0 HB3 CYS A 91 80.193 3.376 0.645 1.00 0.00 H new ATOM 1336 N GLN A 92 80.078 6.899 -0.882 1.00 0.00 N ATOM 1337 CA GLN A 92 79.677 8.301 -0.767 1.00 0.00 C ATOM 1338 C GLN A 92 78.305 8.429 -0.112 1.00 0.00 C ATOM 1339 O GLN A 92 77.479 7.522 -0.189 1.00 0.00 O ATOM 1340 CB GLN A 92 79.638 8.975 -2.142 1.00 0.00 C ATOM 1341 CG GLN A 92 80.819 8.521 -3.002 1.00 0.00 C ATOM 1342 CD GLN A 92 80.817 9.286 -4.320 1.00 0.00 C ATOM 1343 OE1 GLN A 92 80.690 8.690 -5.389 1.00 0.00 O ATOM 1344 NE2 GLN A 92 80.995 10.578 -4.315 1.00 0.00 N ATOM 0 H GLN A 92 79.474 6.332 -1.477 1.00 0.00 H new ATOM 0 HA GLN A 92 80.420 8.797 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.702 8.733 -2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.664 10.058 -2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.755 8.693 -2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.753 7.450 -3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 92 81.101 11.075 -3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 92 81.029 11.092 -5.196 1.00 0.00 H new ATOM 1353 N SER A 93 78.095 9.527 0.608 1.00 0.00 N ATOM 1354 CA SER A 93 76.838 9.743 1.321 1.00 0.00 C ATOM 1355 C SER A 93 76.320 11.165 1.128 1.00 0.00 C ATOM 1356 O SER A 93 77.068 12.065 0.743 1.00 0.00 O ATOM 1357 CB SER A 93 77.039 9.474 2.813 1.00 0.00 C ATOM 1358 OG SER A 93 75.781 9.519 3.471 1.00 0.00 O ATOM 0 H SER A 93 78.776 10.279 0.714 1.00 0.00 H new ATOM 0 HA SER A 93 76.099 9.054 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 93 77.504 8.499 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.713 10.216 3.241 1.00 0.00 H new ATOM 0 HG SER A 93 75.103 9.087 2.910 1.00 0.00 H new ATOM 1364 N TYR A 94 75.044 11.362 1.450 1.00 0.00 N ATOM 1365 CA TYR A 94 74.401 12.662 1.282 1.00 0.00 C ATOM 1366 C TYR A 94 73.172 12.736 2.188 1.00 0.00 C ATOM 1367 O TYR A 94 72.300 11.870 2.133 1.00 0.00 O ATOM 1368 CB TYR A 94 74.030 12.914 -0.189 1.00 0.00 C ATOM 1369 CG TYR A 94 74.323 11.694 -1.030 1.00 0.00 C ATOM 1370 CD1 TYR A 94 73.377 10.665 -1.106 1.00 0.00 C ATOM 1371 CD2 TYR A 94 75.562 11.559 -1.669 1.00 0.00 C ATOM 1372 CE1 TYR A 94 73.640 9.532 -1.885 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.843 10.399 -2.403 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.872 9.398 -2.531 1.00 0.00 C ATOM 1375 OH TYR A 94 75.162 8.228 -3.203 1.00 0.00 O ATOM 0 H TYR A 94 74.435 10.637 1.829 1.00 0.00 H new ATOM 0 HA TYR A 94 75.101 13.447 1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.973 13.168 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 94 74.591 13.768 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.446 10.745 -0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 94 76.298 12.346 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.890 8.761 -1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.809 10.277 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 94 74.333 7.832 -3.542 1.00 0.00 H new ATOM 1385 N ASP A 95 73.016 13.861 2.880 1.00 0.00 N ATOM 1386 CA ASP A 95 71.843 14.065 3.726 1.00 0.00 C ATOM 1387 C ASP A 95 70.680 14.609 2.902 1.00 0.00 C ATOM 1388 O ASP A 95 70.841 14.920 1.722 1.00 0.00 O ATOM 1389 CB ASP A 95 72.172 15.056 4.845 1.00 0.00 C ATOM 1390 CG ASP A 95 73.155 14.426 5.825 1.00 0.00 C ATOM 1391 OD1 ASP A 95 73.309 13.218 5.773 1.00 0.00 O ATOM 1392 OD2 ASP A 95 73.701 15.154 6.637 1.00 0.00 O ATOM 0 H ASP A 95 73.678 14.637 2.873 1.00 0.00 H new ATOM 0 HA ASP A 95 71.559 13.105 4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 95 72.599 15.966 4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 95 71.260 15.344 5.367 1.00 0.00 H new ATOM 1397 N SER A 96 69.505 14.702 3.518 1.00 0.00 N ATOM 1398 CA SER A 96 68.343 15.240 2.820 1.00 0.00 C ATOM 1399 C SER A 96 68.611 16.677 2.385 1.00 0.00 C ATOM 1400 O SER A 96 68.068 17.142 1.385 1.00 0.00 O ATOM 1401 CB SER A 96 67.094 15.175 3.705 1.00 0.00 C ATOM 1402 OG SER A 96 66.496 13.894 3.574 1.00 0.00 O ATOM 0 H SER A 96 69.334 14.417 4.482 1.00 0.00 H new ATOM 0 HA SER A 96 68.162 14.630 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 96 67.361 15.360 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 96 66.387 15.951 3.414 1.00 0.00 H new ATOM 0 HG SER A 96 65.697 13.847 4.140 1.00 0.00 H new ATOM 1408 N SER A 97 69.349 17.414 3.207 1.00 0.00 N ATOM 1409 CA SER A 97 69.618 18.817 2.922 1.00 0.00 C ATOM 1410 C SER A 97 70.743 18.947 1.900 1.00 0.00 C ATOM 1411 O SER A 97 71.551 19.873 1.981 1.00 0.00 O ATOM 1412 CB SER A 97 70.016 19.545 4.208 1.00 0.00 C ATOM 1413 OG SER A 97 71.397 19.327 4.459 1.00 0.00 O ATOM 0 H SER A 97 69.769 17.066 4.069 1.00 0.00 H new ATOM 0 HA SER A 97 68.712 19.265 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 97 69.815 20.612 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 97 69.420 19.182 5.045 1.00 0.00 H new ATOM 0 HG SER A 97 71.924 19.666 3.705 1.00 0.00 H new ATOM 1419 N ASN A 98 70.811 18.005 0.964 1.00 0.00 N ATOM 1420 CA ASN A 98 71.860 18.026 -0.050 1.00 0.00 C ATOM 1421 C ASN A 98 73.231 17.778 0.571 1.00 0.00 C ATOM 1422 O ASN A 98 73.418 16.829 1.329 1.00 0.00 O ATOM 1423 CB ASN A 98 71.858 19.372 -0.781 1.00 0.00 C ATOM 1424 CG ASN A 98 70.429 19.868 -0.966 1.00 0.00 C ATOM 1425 OD1 ASN A 98 69.681 19.323 -1.777 1.00 0.00 O ATOM 1426 ND2 ASN A 98 70.027 20.906 -0.284 1.00 0.00 N ATOM 0 H ASN A 98 70.159 17.225 0.886 1.00 0.00 H new ATOM 0 HA ASN A 98 71.657 17.226 -0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 98 72.434 20.103 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 98 72.343 19.268 -1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 98 69.085 21.273 -0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 98 70.655 21.350 0.386 1.00 0.00 H new ATOM 1433 N HIS A 99 74.213 18.577 0.166 1.00 0.00 N ATOM 1434 CA HIS A 99 75.567 18.446 0.689 1.00 0.00 C ATOM 1435 C HIS A 99 76.124 17.063 0.372 1.00 0.00 C ATOM 1436 O HIS A 99 76.097 16.164 1.213 1.00 0.00 O ATOM 1437 CB HIS A 99 75.564 18.659 2.204 1.00 0.00 C ATOM 1438 CG HIS A 99 74.827 19.930 2.528 1.00 0.00 C ATOM 1439 ND1 HIS A 99 74.373 20.206 3.807 1.00 0.00 N ATOM 1440 CD2 HIS A 99 74.614 21.076 1.801 1.00 0.00 C ATOM 1441 CE1 HIS A 99 73.805 21.423 3.780 1.00 0.00 C ATOM 1442 NE2 HIS A 99 73.914 21.995 2.580 1.00 0.00 N ATOM 0 H HIS A 99 74.096 19.321 -0.522 1.00 0.00 H new ATOM 0 HA HIS A 99 76.196 19.201 0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 99 75.088 17.813 2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 99 76.587 18.713 2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 99 74.939 21.239 0.784 1.00 0.00 H new ATOM 0 HE1 HIS A 99 73.319 21.883 4.628 1.00 0.00 H new ATOM 0 HE2 HIS A 99 73.561 22.908 2.294 1.00 0.00 H new ATOM 1450 N VAL A 100 76.625 16.899 -0.849 1.00 0.00 N ATOM 1451 CA VAL A 100 77.178 15.621 -1.283 1.00 0.00 C ATOM 1452 C VAL A 100 78.652 15.525 -0.902 1.00 0.00 C ATOM 1453 O VAL A 100 79.422 16.462 -1.114 1.00 0.00 O ATOM 1454 CB VAL A 100 77.016 15.475 -2.799 1.00 0.00 C ATOM 1455 CG1 VAL A 100 75.558 15.735 -3.189 1.00 0.00 C ATOM 1456 CG2 VAL A 100 77.898 16.493 -3.526 1.00 0.00 C ATOM 0 H VAL A 100 76.659 17.635 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 100 76.638 14.815 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 100 77.309 14.464 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 100 75.446 15.630 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 100 74.913 15.015 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 100 75.276 16.745 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 100 77.774 16.379 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 100 77.607 17.502 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 100 78.942 16.325 -3.261 1.00 0.00 H new ATOM 1466 N VAL A 101 79.054 14.375 -0.368 1.00 0.00 N ATOM 1467 CA VAL A 101 80.448 14.156 0.010 1.00 0.00 C ATOM 1468 C VAL A 101 80.855 12.719 -0.302 1.00 0.00 C ATOM 1469 O VAL A 101 80.041 11.802 -0.186 1.00 0.00 O ATOM 1470 CB VAL A 101 80.623 14.421 1.507 1.00 0.00 C ATOM 1471 CG1 VAL A 101 79.610 13.577 2.285 1.00 0.00 C ATOM 1472 CG2 VAL A 101 82.049 14.061 1.940 1.00 0.00 C ATOM 0 H VAL A 101 78.437 13.583 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 101 81.080 14.838 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 101 80.453 15.478 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 101 79.728 13.760 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 101 78.599 13.849 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 101 79.780 12.521 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 101 82.165 14.253 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 101 82.235 13.006 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 101 82.763 14.668 1.383 1.00 0.00 H new ATOM 1482 N PHE A 102 82.148 12.510 -0.532 1.00 0.00 N ATOM 1483 CA PHE A 102 82.673 11.179 -0.822 1.00 0.00 C ATOM 1484 C PHE A 102 83.590 10.702 0.298 1.00 0.00 C ATOM 1485 O PHE A 102 84.286 11.501 0.923 1.00 0.00 O ATOM 1486 CB PHE A 102 83.453 11.213 -2.137 1.00 0.00 C ATOM 1487 CG PHE A 102 84.604 12.184 -2.025 1.00 0.00 C ATOM 1488 CD1 PHE A 102 85.799 11.773 -1.423 1.00 0.00 C ATOM 1489 CD2 PHE A 102 84.467 13.497 -2.491 1.00 0.00 C ATOM 1490 CE1 PHE A 102 86.892 12.646 -1.384 1.00 0.00 C ATOM 1491 CE2 PHE A 102 85.531 14.396 -2.359 1.00 0.00 C ATOM 1492 CZ PHE A 102 86.759 13.960 -1.847 1.00 0.00 C ATOM 0 H PHE A 102 82.853 13.247 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 102 81.835 10.487 -0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 102 83.827 10.217 -2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 102 82.794 11.509 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 102 85.877 10.786 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 102 83.543 13.815 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 102 87.840 12.305 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 102 85.405 15.428 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 102 87.601 14.635 -1.809 1.00 0.00 H new ATOM 1502 N GLY A 103 83.605 9.395 0.537 1.00 0.00 N ATOM 1503 CA GLY A 103 84.472 8.848 1.574 1.00 0.00 C ATOM 1504 C GLY A 103 84.648 7.347 1.382 1.00 0.00 C ATOM 1505 O GLY A 103 84.359 6.810 0.314 1.00 0.00 O ATOM 0 H GLY A 103 83.040 8.707 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.443 9.341 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.045 9.048 2.557 1.00 0.00 H new ATOM 1509 N GLY A 104 85.070 6.662 2.439 1.00 0.00 N ATOM 1510 CA GLY A 104 85.311 5.227 2.349 1.00 0.00 C ATOM 1511 C GLY A 104 86.669 4.934 1.724 1.00 0.00 C ATOM 1512 O GLY A 104 86.938 3.811 1.297 1.00 0.00 O ATOM 0 H GLY A 104 85.250 7.070 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 104 85.263 4.784 3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.526 4.760 1.754 1.00 0.00 H new ATOM 1516 N GLY A 105 87.546 5.930 1.728 1.00 0.00 N ATOM 1517 CA GLY A 105 88.874 5.749 1.154 1.00 0.00 C ATOM 1518 C GLY A 105 89.587 4.575 1.818 1.00 0.00 C ATOM 1519 O GLY A 105 90.349 4.759 2.766 1.00 0.00 O ATOM 0 H GLY A 105 87.367 6.857 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.792 5.573 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.460 6.659 1.284 1.00 0.00 H new ATOM 1523 N THR A 106 89.332 3.367 1.322 1.00 0.00 N ATOM 1524 CA THR A 106 89.952 2.166 1.871 1.00 0.00 C ATOM 1525 C THR A 106 90.480 1.282 0.744 1.00 0.00 C ATOM 1526 O THR A 106 89.738 0.907 -0.165 1.00 0.00 O ATOM 1527 CB THR A 106 88.924 1.394 2.700 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.451 2.223 3.750 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.574 0.140 3.289 1.00 0.00 C ATOM 0 H THR A 106 88.700 3.195 0.540 1.00 0.00 H new ATOM 0 HA THR A 106 90.788 2.456 2.508 1.00 0.00 H new ATOM 0 HB THR A 106 88.090 1.100 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 106 89.026 2.115 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.839 -0.408 3.879 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.937 -0.495 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.409 0.429 3.927 1.00 0.00 H new ATOM 1537 N LYS A 107 91.770 0.964 0.803 1.00 0.00 N ATOM 1538 CA LYS A 107 92.389 0.131 -0.221 1.00 0.00 C ATOM 1539 C LYS A 107 92.286 -1.337 0.168 1.00 0.00 C ATOM 1540 O LYS A 107 92.707 -1.721 1.258 1.00 0.00 O ATOM 1541 CB LYS A 107 93.866 0.503 -0.371 1.00 0.00 C ATOM 1542 CG LYS A 107 94.427 -0.066 -1.679 1.00 0.00 C ATOM 1543 CD LYS A 107 95.933 -0.305 -1.545 1.00 0.00 C ATOM 1544 CE LYS A 107 96.564 -0.511 -2.925 1.00 0.00 C ATOM 1545 NZ LYS A 107 96.954 0.815 -3.482 1.00 0.00 N ATOM 0 H LYS A 107 92.402 1.268 1.543 1.00 0.00 H new ATOM 0 HA LYS A 107 91.870 0.296 -1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 107 93.978 1.587 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.433 0.116 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.923 -1.001 -1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 107 94.232 0.625 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 107 96.400 0.545 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.115 -1.179 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 107 97.437 -1.158 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 107 95.858 -1.007 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 97.384 0.685 -4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 96.110 1.417 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 97.640 1.270 -2.847 1.00 0.00 H new ATOM 1559 N LEU A 108 91.759 -2.151 -0.743 1.00 0.00 N ATOM 1560 CA LEU A 108 91.633 -3.581 -0.482 1.00 0.00 C ATOM 1561 C LEU A 108 92.578 -4.370 -1.382 1.00 0.00 C ATOM 1562 O LEU A 108 92.494 -4.281 -2.607 1.00 0.00 O ATOM 1563 CB LEU A 108 90.188 -4.021 -0.729 1.00 0.00 C ATOM 1564 CG LEU A 108 90.050 -5.529 -0.504 1.00 0.00 C ATOM 1565 CD1 LEU A 108 90.533 -5.894 0.903 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.582 -5.928 -0.664 1.00 0.00 C ATOM 0 H LEU A 108 91.417 -1.850 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 108 91.899 -3.777 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.517 -3.483 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.892 -3.769 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 108 90.658 -6.062 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 108 90.432 -6.969 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.579 -5.609 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.932 -5.365 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.477 -7.001 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.977 -5.392 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.244 -5.675 -1.669 1.00 0.00 H new ATOM 1578 N THR A 109 93.406 -5.213 -0.771 1.00 0.00 N ATOM 1579 CA THR A 109 94.321 -6.069 -1.521 1.00 0.00 C ATOM 1580 C THR A 109 94.055 -7.539 -1.213 1.00 0.00 C ATOM 1581 O THR A 109 93.964 -7.937 -0.052 1.00 0.00 O ATOM 1582 CB THR A 109 95.773 -5.724 -1.186 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.980 -4.325 -1.335 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.683 -6.476 -2.158 1.00 0.00 C ATOM 0 H THR A 109 93.462 -5.322 0.242 1.00 0.00 H new ATOM 0 HA THR A 109 94.152 -5.896 -2.584 1.00 0.00 H new ATOM 0 HB THR A 109 95.997 -6.009 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.910 -4.107 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.724 -6.243 -1.936 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.521 -7.549 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.454 -6.173 -3.180 1.00 0.00 H new ATOM 1592 N VAL A 110 93.893 -8.340 -2.261 1.00 0.00 N ATOM 1593 CA VAL A 110 93.657 -9.771 -2.096 1.00 0.00 C ATOM 1594 C VAL A 110 94.976 -10.535 -2.165 1.00 0.00 C ATOM 1595 O VAL A 110 95.524 -10.756 -3.243 1.00 0.00 O ATOM 1596 CB VAL A 110 92.703 -10.272 -3.184 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.452 -11.772 -3.021 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.367 -9.537 -3.065 1.00 0.00 C ATOM 0 H VAL A 110 93.921 -8.025 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 110 93.204 -9.942 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 110 93.154 -10.084 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.772 -12.114 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.397 -12.310 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 110 92.008 -11.963 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.686 -9.892 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.933 -9.728 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.529 -8.466 -3.188 1.00 0.00 H new ATOM 1608 N LEU A 111 95.461 -10.968 -1.006 1.00 0.00 N ATOM 1609 CA LEU A 111 96.696 -11.743 -0.939 1.00 0.00 C ATOM 1610 C LEU A 111 96.648 -12.920 -1.906 1.00 0.00 C ATOM 1611 O LEU A 111 97.570 -13.720 -1.877 1.00 0.00 O ATOM 1612 CB LEU A 111 96.882 -12.265 0.488 1.00 0.00 C ATOM 1613 CG LEU A 111 96.951 -11.090 1.473 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.441 -11.538 2.845 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.390 -10.578 1.587 1.00 0.00 C ATOM 1616 OXT LEU A 111 95.650 -13.049 -2.598 1.00 0.00 O ATOM 0 H LEU A 111 95.020 -10.796 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 111 97.531 -11.100 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 111 96.056 -12.924 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.795 -12.857 0.551 1.00 0.00 H new ATOM 0 HG LEU A 111 96.322 -10.279 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.491 -10.702 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.408 -11.876 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 111 97.060 -12.356 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.425 -9.745 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 111 99.035 -11.381 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.736 -10.244 0.609 1.00 0.00 H new TER 1628 LEU A 111