USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 714 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 82 MET CE :methyl -160:sc= -1.2 (180deg=-1.39) USER MOD Set 1.2: A 96 MET CE :methyl 179:sc= -0.667 (180deg=-0.703) USER MOD Set 2.1: A 75 ASN : amide:sc= 0.819 K(o=2.1,f=0.61) USER MOD Set 2.2: A 78 SER OG : rot -150:sc= 1.24 USER MOD Set 3.1: A 52 ASN : amide:sc= 0.0408 X(o=2,f=1.8) USER MOD Set 3.2: A 63 CYS SG : rot 180:sc= 0.772 USER MOD Set 3.3: A 90 CYS SG : rot -28:sc= 1.14 USER MOD Set 4.1: A 32 THR OG1 : rot 127:sc= 0.224 USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 26 GLN : amide:sc= -3.12 X(o=-3.1,f=-2.9!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.895 K(o=0.9,f=-4.7!) USER MOD Single : A 41 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -149:sc= 0 (180deg=-0.197) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 56 SER OG : rot 180:sc= -0.144 USER MOD Single : A 58 GLN : amide:sc= -0.274 K(o=-0.27,f=-3.7!) USER MOD Single : A 65 THR OG1 : rot 146:sc= 1.38 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 71 SER OG : rot 73:sc= 0.162 USER MOD Single : A 72 MET CE :methyl -175:sc= -0.024 (180deg=-0.0824) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.236 K(o=0.24,f=-3.4!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.661 K(o=-0.66,f=-0.15) USER MOD Single : A 108 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.36) USER MOD Single : A 109 GLN : amide:sc=0.000581 X(o=0.00058,f=0) USER MOD Single : A 112 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.089) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0663 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 MET CE :methyl -170:sc= -0.399 (180deg=-0.575) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -7.516 -13.183 -11.009 1.00 0.00 N ATOM 9 CA GLN A 26 -8.224 -13.317 -9.750 1.00 0.00 C ATOM 10 C GLN A 26 -8.066 -14.759 -9.264 1.00 0.00 C ATOM 11 O GLN A 26 -8.738 -15.683 -9.727 1.00 0.00 O ATOM 12 CB GLN A 26 -9.690 -12.877 -9.885 1.00 0.00 C ATOM 13 CG GLN A 26 -10.592 -13.208 -8.683 1.00 0.00 C ATOM 14 CD GLN A 26 -10.231 -12.576 -7.340 1.00 0.00 C ATOM 15 OE1 GLN A 26 -11.086 -11.969 -6.706 1.00 0.00 O ATOM 16 NE2 GLN A 26 -9.036 -12.783 -6.799 1.00 0.00 N ATOM 0 HA GLN A 26 -7.797 -12.653 -8.999 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.715 -11.800 -10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.112 -13.346 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.610 -12.910 -8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.599 -14.290 -8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.320 -13.288 -7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.834 -12.437 -5.861 1.00 0.00 H new ATOM 25 N GLU A 27 -7.179 -14.936 -8.294 1.00 0.00 N ATOM 26 CA GLU A 27 -6.608 -16.220 -7.916 1.00 0.00 C ATOM 27 C GLU A 27 -6.411 -16.332 -6.407 1.00 0.00 C ATOM 28 O GLU A 27 -5.694 -17.218 -5.939 1.00 0.00 O ATOM 29 CB GLU A 27 -5.312 -16.437 -8.728 1.00 0.00 C ATOM 30 CG GLU A 27 -4.348 -15.232 -8.728 1.00 0.00 C ATOM 31 CD GLU A 27 -3.156 -15.424 -9.670 1.00 0.00 C ATOM 32 OE1 GLU A 27 -3.349 -15.371 -10.912 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.027 -15.651 -9.176 1.00 0.00 O ATOM 0 H GLU A 27 -6.826 -14.163 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.301 -17.025 -8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.788 -17.305 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.579 -16.673 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.895 -14.335 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.981 -15.066 -7.715 1.00 0.00 H new ATOM 41 N LEU A 28 -7.043 -15.430 -5.647 1.00 0.00 N ATOM 42 CA LEU A 28 -6.797 -15.268 -4.219 1.00 0.00 C ATOM 43 C LEU A 28 -8.012 -14.613 -3.524 1.00 0.00 C ATOM 44 O LEU A 28 -8.468 -13.563 -3.993 1.00 0.00 O ATOM 45 CB LEU A 28 -5.497 -14.450 -4.065 1.00 0.00 C ATOM 46 CG LEU A 28 -4.653 -14.740 -2.813 1.00 0.00 C ATOM 47 CD1 LEU A 28 -4.310 -16.227 -2.649 1.00 0.00 C ATOM 48 CD2 LEU A 28 -3.314 -13.996 -2.934 1.00 0.00 C ATOM 0 H LEU A 28 -7.745 -14.788 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.668 -16.232 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.877 -14.625 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.757 -13.391 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.247 -14.418 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.713 -16.365 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.230 -16.806 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.743 -16.567 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.706 -14.194 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.785 -14.340 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.499 -12.925 -3.014 1.00 0.00 H new ATOM 60 N PRO A 29 -8.591 -15.221 -2.471 1.00 0.00 N ATOM 61 CA PRO A 29 -9.744 -14.701 -1.735 1.00 0.00 C ATOM 62 C PRO A 29 -9.312 -13.640 -0.705 1.00 0.00 C ATOM 63 O PRO A 29 -8.173 -13.713 -0.240 1.00 0.00 O ATOM 64 CB PRO A 29 -10.345 -15.930 -1.049 1.00 0.00 C ATOM 65 CG PRO A 29 -9.130 -16.804 -0.747 1.00 0.00 C ATOM 66 CD PRO A 29 -8.179 -16.495 -1.905 1.00 0.00 C ATOM 0 HA PRO A 29 -10.461 -14.202 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.880 -15.659 -0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.056 -16.443 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.685 -16.555 0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.393 -17.861 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.148 -16.445 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.221 -17.282 -2.658 1.00 0.00 H new ATOM 74 N PRO A 30 -10.187 -12.691 -0.307 1.00 0.00 N ATOM 75 CA PRO A 30 -9.867 -11.574 0.586 1.00 0.00 C ATOM 76 C PRO A 30 -9.685 -12.018 2.054 1.00 0.00 C ATOM 77 O PRO A 30 -9.932 -13.190 2.377 1.00 0.00 O ATOM 78 CB PRO A 30 -10.993 -10.569 0.383 1.00 0.00 C ATOM 79 CG PRO A 30 -12.193 -11.465 0.095 1.00 0.00 C ATOM 80 CD PRO A 30 -11.572 -12.595 -0.725 1.00 0.00 C ATOM 0 HA PRO A 30 -8.902 -11.126 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.151 -9.953 1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.786 -9.891 -0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.653 -11.834 1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.968 -10.939 -0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.096 -13.535 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.642 -12.384 -1.792 1.00 0.00 H new ATOM 88 N GLY A 31 -9.248 -11.116 2.949 1.00 0.00 N ATOM 89 CA GLY A 31 -8.772 -11.516 4.279 1.00 0.00 C ATOM 90 C GLY A 31 -7.903 -10.441 4.938 1.00 0.00 C ATOM 91 O GLY A 31 -8.061 -9.253 4.641 1.00 0.00 O ATOM 0 H GLY A 31 -9.215 -10.111 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.628 -11.729 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.200 -12.440 4.194 1.00 0.00 H new ATOM 95 N THR A 32 -6.987 -10.825 5.834 1.00 0.00 N ATOM 96 CA THR A 32 -5.855 -9.996 6.232 1.00 0.00 C ATOM 97 C THR A 32 -4.595 -10.867 6.263 1.00 0.00 C ATOM 98 O THR A 32 -4.621 -12.001 6.736 1.00 0.00 O ATOM 99 CB THR A 32 -6.150 -9.242 7.544 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.101 -8.347 7.851 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.364 -10.120 8.768 1.00 0.00 C ATOM 0 H THR A 32 -7.015 -11.729 6.305 1.00 0.00 H new ATOM 0 HA THR A 32 -5.678 -9.206 5.502 1.00 0.00 H new ATOM 0 HB THR A 32 -7.090 -8.729 7.342 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.469 -7.452 8.005 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.564 -9.492 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.212 -10.783 8.597 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.469 -10.715 8.950 1.00 0.00 H new ATOM 109 N TYR A 33 -3.493 -10.343 5.723 1.00 0.00 N ATOM 110 CA TYR A 33 -2.187 -11.003 5.712 1.00 0.00 C ATOM 111 C TYR A 33 -1.253 -10.227 6.631 1.00 0.00 C ATOM 112 O TYR A 33 -1.534 -9.074 6.977 1.00 0.00 O ATOM 113 CB TYR A 33 -1.613 -11.215 4.295 1.00 0.00 C ATOM 114 CG TYR A 33 -1.951 -10.221 3.186 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.382 -8.931 3.118 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.739 -10.662 2.109 1.00 0.00 C ATOM 117 CE1 TYR A 33 -1.668 -8.075 2.034 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.026 -9.815 1.024 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.510 -8.505 0.991 1.00 0.00 C ATOM 120 OH TYR A 33 -2.730 -7.684 -0.071 1.00 0.00 O ATOM 0 H TYR A 33 -3.484 -9.428 5.272 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.301 -12.019 6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.527 -11.246 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.933 -12.201 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.721 -8.596 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.131 -11.668 2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.239 -7.084 2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.644 -10.170 0.213 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.332 -8.125 -0.706 1.00 0.00 H new ATOM 130 N ARG A 34 -0.193 -10.873 7.113 1.00 0.00 N ATOM 131 CA ARG A 34 0.761 -10.301 8.058 1.00 0.00 C ATOM 132 C ARG A 34 2.078 -10.196 7.324 1.00 0.00 C ATOM 133 O ARG A 34 2.622 -11.236 6.948 1.00 0.00 O ATOM 134 CB ARG A 34 0.860 -11.194 9.307 1.00 0.00 C ATOM 135 CG ARG A 34 1.891 -10.725 10.345 1.00 0.00 C ATOM 136 CD ARG A 34 1.706 -9.239 10.668 1.00 0.00 C ATOM 137 NE ARG A 34 2.203 -8.912 12.007 1.00 0.00 N ATOM 138 CZ ARG A 34 1.461 -8.717 13.101 1.00 0.00 C ATOM 139 NH1 ARG A 34 0.132 -8.791 13.076 1.00 0.00 N ATOM 140 NH2 ARG A 34 2.086 -8.423 14.225 1.00 0.00 N ATOM 0 H ARG A 34 0.031 -11.833 6.850 1.00 0.00 H new ATOM 0 HA ARG A 34 0.453 -9.316 8.409 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.120 -11.242 9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.113 -12.207 8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.789 -11.315 11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.898 -10.896 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.232 -8.637 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.650 -8.980 10.598 1.00 0.00 H new ATOM 0 HE ARG A 34 3.214 -8.825 12.114 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.351 -9.002 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.404 -8.636 13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.103 -8.351 14.239 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.552 -8.268 15.080 1.00 0.00 H new ATOM 154 N VAL A 35 2.511 -8.972 7.026 1.00 0.00 N ATOM 155 CA VAL A 35 3.603 -8.748 6.097 1.00 0.00 C ATOM 156 C VAL A 35 4.426 -7.546 6.519 1.00 0.00 C ATOM 157 O VAL A 35 3.938 -6.683 7.255 1.00 0.00 O ATOM 158 CB VAL A 35 3.047 -8.620 4.658 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.144 -9.791 4.255 1.00 0.00 C ATOM 160 CG2 VAL A 35 2.196 -7.360 4.435 1.00 0.00 C ATOM 0 H VAL A 35 2.115 -8.119 7.421 1.00 0.00 H new ATOM 0 HA VAL A 35 4.278 -9.603 6.110 1.00 0.00 H new ATOM 0 HB VAL A 35 3.954 -8.589 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.787 -9.641 3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.709 -10.721 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.293 -9.844 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.841 -7.338 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.342 -7.373 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.800 -6.474 4.629 1.00 0.00 H new ATOM 170 N ASP A 36 5.655 -7.496 6.005 1.00 0.00 N ATOM 171 CA ASP A 36 6.531 -6.346 6.129 1.00 0.00 C ATOM 172 C ASP A 36 6.252 -5.525 4.886 1.00 0.00 C ATOM 173 O ASP A 36 6.490 -5.991 3.771 1.00 0.00 O ATOM 174 CB ASP A 36 8.041 -6.642 6.197 1.00 0.00 C ATOM 175 CG ASP A 36 8.548 -7.986 6.716 1.00 0.00 C ATOM 176 OD1 ASP A 36 8.221 -8.388 7.851 1.00 0.00 O ATOM 177 OD2 ASP A 36 9.407 -8.590 6.037 1.00 0.00 O ATOM 0 H ASP A 36 6.070 -8.269 5.484 1.00 0.00 H new ATOM 0 HA ASP A 36 6.319 -5.857 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.438 -6.516 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.492 -5.867 6.817 1.00 0.00 H new ATOM 183 N ILE A 37 5.688 -4.337 5.035 1.00 0.00 N ATOM 184 CA ILE A 37 5.435 -3.431 3.936 1.00 0.00 C ATOM 185 C ILE A 37 6.784 -2.883 3.506 1.00 0.00 C ATOM 186 O ILE A 37 7.359 -2.029 4.180 1.00 0.00 O ATOM 187 CB ILE A 37 4.438 -2.333 4.375 1.00 0.00 C ATOM 188 CG1 ILE A 37 3.086 -2.935 4.832 1.00 0.00 C ATOM 189 CG2 ILE A 37 4.208 -1.337 3.226 1.00 0.00 C ATOM 190 CD1 ILE A 37 3.001 -3.209 6.341 1.00 0.00 C ATOM 0 H ILE A 37 5.390 -3.973 5.940 1.00 0.00 H new ATOM 0 HA ILE A 37 4.967 -3.928 3.086 1.00 0.00 H new ATOM 0 HB ILE A 37 4.875 -1.811 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.283 -2.253 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.915 -3.867 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.504 -0.568 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.155 -0.871 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.801 -1.864 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.024 -3.629 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.780 -3.916 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.138 -2.277 6.888 1.00 0.00 H new ATOM 202 N TYR A 38 7.285 -3.381 2.383 1.00 0.00 N ATOM 203 CA TYR A 38 8.461 -2.849 1.732 1.00 0.00 C ATOM 204 C TYR A 38 7.936 -1.920 0.658 1.00 0.00 C ATOM 205 O TYR A 38 7.554 -2.380 -0.414 1.00 0.00 O ATOM 206 CB TYR A 38 9.307 -3.984 1.148 1.00 0.00 C ATOM 207 CG TYR A 38 10.332 -4.528 2.117 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.964 -5.496 3.062 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.654 -4.055 2.094 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.909 -5.974 3.982 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.601 -4.503 3.029 1.00 0.00 C ATOM 212 CZ TYR A 38 12.224 -5.459 3.994 1.00 0.00 C ATOM 213 OH TYR A 38 13.118 -5.852 4.938 1.00 0.00 O ATOM 0 H TYR A 38 6.875 -4.178 1.896 1.00 0.00 H new ATOM 0 HA TYR A 38 9.115 -2.315 2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.648 -4.794 0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.817 -3.624 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.952 -5.874 3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.947 -3.335 1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.629 -6.742 4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.610 -4.118 3.009 1.00 0.00 H new ATOM 0 HH TYR A 38 13.972 -5.395 4.790 1.00 0.00 H new ATOM 223 N LEU A 39 7.863 -0.624 0.951 1.00 0.00 N ATOM 224 CA LEU A 39 7.632 0.362 -0.096 1.00 0.00 C ATOM 225 C LEU A 39 8.977 0.595 -0.756 1.00 0.00 C ATOM 226 O LEU A 39 9.955 0.894 -0.061 1.00 0.00 O ATOM 227 CB LEU A 39 7.112 1.681 0.477 1.00 0.00 C ATOM 228 CG LEU A 39 6.517 2.610 -0.586 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.067 2.216 -0.851 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.567 4.053 -0.091 1.00 0.00 C ATOM 0 H LEU A 39 7.959 -0.238 1.890 1.00 0.00 H new ATOM 0 HA LEU A 39 6.880 0.000 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.353 1.468 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.928 2.196 0.984 1.00 0.00 H new ATOM 0 HG LEU A 39 7.094 2.522 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.643 2.877 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.029 1.186 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.492 2.303 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.143 4.712 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.991 4.142 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.602 4.337 0.099 1.00 0.00 H new ATOM 242 N ASN A 40 9.028 0.465 -2.080 1.00 0.00 N ATOM 243 CA ASN A 40 10.211 0.753 -2.887 1.00 0.00 C ATOM 244 C ASN A 40 11.443 0.058 -2.310 1.00 0.00 C ATOM 245 O ASN A 40 12.531 0.630 -2.256 1.00 0.00 O ATOM 246 CB ASN A 40 10.423 2.274 -3.021 1.00 0.00 C ATOM 247 CG ASN A 40 9.237 3.015 -3.619 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.515 2.475 -4.453 1.00 0.00 O ATOM 249 ND2 ASN A 40 9.011 4.250 -3.210 1.00 0.00 N ATOM 0 H ASN A 40 8.231 0.150 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 40 10.052 0.355 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.638 2.688 -2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.301 2.455 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.223 4.776 -3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.624 4.678 -2.516 1.00 0.00 H new ATOM 256 N ASN A 41 11.274 -1.192 -1.874 1.00 0.00 N ATOM 257 CA ASN A 41 12.310 -2.074 -1.354 1.00 0.00 C ATOM 258 C ASN A 41 12.988 -1.574 -0.073 1.00 0.00 C ATOM 259 O ASN A 41 14.041 -2.104 0.278 1.00 0.00 O ATOM 260 CB ASN A 41 13.288 -2.476 -2.485 1.00 0.00 C ATOM 261 CG ASN A 41 12.969 -3.841 -3.075 1.00 0.00 C ATOM 262 OD1 ASN A 41 13.870 -4.650 -3.273 1.00 0.00 O ATOM 263 ND2 ASN A 41 11.709 -4.132 -3.361 1.00 0.00 N ATOM 0 H ASN A 41 10.356 -1.637 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 41 11.818 -2.985 -1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.253 -1.726 -3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.306 -2.481 -2.095 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.473 -5.043 -3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.975 -3.445 -3.189 1.00 0.00 H new ATOM 270 N GLY A 42 12.379 -0.659 0.696 1.00 0.00 N ATOM 271 CA GLY A 42 12.963 -0.180 1.950 1.00 0.00 C ATOM 272 C GLY A 42 11.977 -0.060 3.107 1.00 0.00 C ATOM 273 O GLY A 42 11.792 1.060 3.566 1.00 0.00 O ATOM 0 H GLY A 42 11.479 -0.237 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.766 -0.857 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.417 0.795 1.774 1.00 0.00 H new ATOM 277 N TYR A 43 11.397 -1.183 3.561 1.00 0.00 N ATOM 278 CA TYR A 43 10.712 -1.454 4.843 1.00 0.00 C ATOM 279 C TYR A 43 10.115 -0.236 5.577 1.00 0.00 C ATOM 280 O TYR A 43 10.842 0.570 6.158 1.00 0.00 O ATOM 281 CB TYR A 43 11.694 -2.207 5.758 1.00 0.00 C ATOM 282 CG TYR A 43 11.255 -2.463 7.188 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.911 -2.725 7.528 1.00 0.00 C ATOM 284 CD2 TYR A 43 12.227 -2.415 8.203 1.00 0.00 C ATOM 285 CE1 TYR A 43 9.543 -2.837 8.879 1.00 0.00 C ATOM 286 CE2 TYR A 43 11.866 -2.555 9.552 1.00 0.00 C ATOM 287 CZ TYR A 43 10.509 -2.737 9.903 1.00 0.00 C ATOM 288 OH TYR A 43 10.121 -2.769 11.206 1.00 0.00 O ATOM 0 H TYR A 43 11.395 -2.018 2.976 1.00 0.00 H new ATOM 0 HA TYR A 43 9.834 -2.049 4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.916 -3.169 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.627 -1.644 5.787 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.168 -2.839 6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.264 -2.269 7.941 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.507 -3.002 9.137 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.624 -2.524 10.321 1.00 0.00 H new ATOM 0 HH TYR A 43 10.909 -2.690 11.784 1.00 0.00 H new ATOM 298 N MET A 44 8.778 -0.156 5.649 1.00 0.00 N ATOM 299 CA MET A 44 8.050 0.967 6.245 1.00 0.00 C ATOM 300 C MET A 44 7.424 0.601 7.590 1.00 0.00 C ATOM 301 O MET A 44 7.400 1.437 8.493 1.00 0.00 O ATOM 302 CB MET A 44 6.947 1.497 5.301 1.00 0.00 C ATOM 303 CG MET A 44 7.299 1.487 3.814 1.00 0.00 C ATOM 304 SD MET A 44 8.942 2.072 3.328 1.00 0.00 S ATOM 305 CE MET A 44 9.035 3.691 4.124 1.00 0.00 C ATOM 0 H MET A 44 8.164 -0.885 5.287 1.00 0.00 H new ATOM 0 HA MET A 44 8.790 1.751 6.407 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.048 0.899 5.448 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.702 2.518 5.593 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.187 0.465 3.451 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.560 2.094 3.291 1.00 0.00 H new ATOM 0 HE1 MET A 44 9.655 4.357 3.523 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.033 4.111 4.213 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.473 3.584 5.116 1.00 0.00 H new ATOM 315 N ALA A 45 6.842 -0.597 7.703 1.00 0.00 N ATOM 316 CA ALA A 45 6.128 -1.115 8.869 1.00 0.00 C ATOM 317 C ALA A 45 5.898 -2.612 8.651 1.00 0.00 C ATOM 318 O ALA A 45 6.005 -3.085 7.518 1.00 0.00 O ATOM 319 CB ALA A 45 4.776 -0.405 9.022 1.00 0.00 C ATOM 0 H ALA A 45 6.859 -1.269 6.936 1.00 0.00 H new ATOM 0 HA ALA A 45 6.712 -0.941 9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.254 -0.800 9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.939 0.665 9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.173 -0.575 8.130 1.00 0.00 H new ATOM 325 N THR A 46 5.520 -3.341 9.701 1.00 0.00 N ATOM 326 CA THR A 46 5.224 -4.771 9.662 1.00 0.00 C ATOM 327 C THR A 46 4.003 -5.020 10.537 1.00 0.00 C ATOM 328 O THR A 46 4.053 -4.824 11.756 1.00 0.00 O ATOM 329 CB THR A 46 6.438 -5.588 10.134 1.00 0.00 C ATOM 330 OG1 THR A 46 7.530 -5.302 9.297 1.00 0.00 O ATOM 331 CG2 THR A 46 6.158 -7.096 10.091 1.00 0.00 C ATOM 0 H THR A 46 5.408 -2.938 10.632 1.00 0.00 H new ATOM 0 HA THR A 46 5.010 -5.090 8.642 1.00 0.00 H new ATOM 0 HB THR A 46 6.654 -5.313 11.166 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.311 -5.817 9.590 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.039 -7.640 10.432 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.315 -7.328 10.741 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.921 -7.393 9.069 1.00 0.00 H new ATOM 339 N ARG A 47 2.876 -5.385 9.934 1.00 0.00 N ATOM 340 CA ARG A 47 1.603 -5.505 10.639 1.00 0.00 C ATOM 341 C ARG A 47 0.614 -6.322 9.822 1.00 0.00 C ATOM 342 O ARG A 47 0.947 -6.826 8.743 1.00 0.00 O ATOM 343 CB ARG A 47 1.036 -4.114 11.011 1.00 0.00 C ATOM 344 CG ARG A 47 1.309 -2.918 10.075 1.00 0.00 C ATOM 345 CD ARG A 47 0.076 -2.035 9.843 1.00 0.00 C ATOM 346 NE ARG A 47 -0.609 -1.664 11.094 1.00 0.00 N ATOM 347 CZ ARG A 47 -1.813 -2.075 11.511 1.00 0.00 C ATOM 348 NH1 ARG A 47 -2.524 -2.948 10.805 1.00 0.00 N ATOM 349 NH2 ARG A 47 -2.282 -1.641 12.673 1.00 0.00 N ATOM 0 H ARG A 47 2.819 -5.607 8.940 1.00 0.00 H new ATOM 0 HA ARG A 47 1.777 -6.037 11.574 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.045 -4.215 11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.422 -3.855 11.997 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.108 -2.310 10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.666 -3.291 9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.378 -1.129 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.624 -2.561 9.194 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.110 -1.023 11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.154 -3.317 9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.439 -3.249 11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.727 -1.000 13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.198 -1.948 13.000 1.00 0.00 H new ATOM 363 N ASP A 48 -0.590 -6.504 10.365 1.00 0.00 N ATOM 364 CA ASP A 48 -1.730 -6.896 9.555 1.00 0.00 C ATOM 365 C ASP A 48 -1.933 -5.839 8.472 1.00 0.00 C ATOM 366 O ASP A 48 -1.763 -4.641 8.721 1.00 0.00 O ATOM 367 CB ASP A 48 -3.018 -7.068 10.390 1.00 0.00 C ATOM 368 CG ASP A 48 -3.899 -5.821 10.508 1.00 0.00 C ATOM 369 OD1 ASP A 48 -3.933 -5.223 11.611 1.00 0.00 O ATOM 370 OD2 ASP A 48 -4.618 -5.482 9.545 1.00 0.00 O ATOM 0 H ASP A 48 -0.795 -6.386 11.357 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.522 -7.869 9.110 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.611 -7.870 9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.739 -7.391 11.393 1.00 0.00 H new ATOM 376 N VAL A 49 -2.322 -6.282 7.286 1.00 0.00 N ATOM 377 CA VAL A 49 -2.725 -5.435 6.184 1.00 0.00 C ATOM 378 C VAL A 49 -3.975 -6.095 5.611 1.00 0.00 C ATOM 379 O VAL A 49 -3.893 -6.967 4.745 1.00 0.00 O ATOM 380 CB VAL A 49 -1.570 -5.220 5.172 1.00 0.00 C ATOM 381 CG1 VAL A 49 -1.779 -3.925 4.382 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.191 -5.081 5.823 1.00 0.00 C ATOM 0 H VAL A 49 -2.366 -7.276 7.061 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.961 -4.417 6.493 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.591 -6.111 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.958 -3.792 3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.721 -3.980 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.807 -3.080 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.563 -4.934 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.192 -4.225 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.039 -5.986 6.386 1.00 0.00 H new ATOM 392 N THR A 50 -5.137 -5.753 6.160 1.00 0.00 N ATOM 393 CA THR A 50 -6.420 -6.254 5.686 1.00 0.00 C ATOM 394 C THR A 50 -6.647 -5.774 4.264 1.00 0.00 C ATOM 395 O THR A 50 -6.745 -4.576 4.023 1.00 0.00 O ATOM 396 CB THR A 50 -7.533 -5.800 6.626 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.185 -6.169 7.941 1.00 0.00 O ATOM 398 CG2 THR A 50 -8.877 -6.456 6.313 1.00 0.00 C ATOM 0 H THR A 50 -5.214 -5.115 6.952 1.00 0.00 H new ATOM 0 HA THR A 50 -6.422 -7.344 5.681 1.00 0.00 H new ATOM 0 HB THR A 50 -7.638 -4.722 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.890 -5.883 8.559 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.630 -6.095 7.014 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.177 -6.204 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.784 -7.538 6.406 1.00 0.00 H new ATOM 406 N PHE A 51 -6.705 -6.693 3.312 1.00 0.00 N ATOM 407 CA PHE A 51 -6.961 -6.455 1.922 1.00 0.00 C ATOM 408 C PHE A 51 -8.421 -6.778 1.607 1.00 0.00 C ATOM 409 O PHE A 51 -9.164 -7.282 2.453 1.00 0.00 O ATOM 410 CB PHE A 51 -5.986 -7.357 1.166 1.00 0.00 C ATOM 411 CG PHE A 51 -6.090 -8.817 1.554 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.450 -9.324 2.701 1.00 0.00 C ATOM 413 CD2 PHE A 51 -6.775 -9.689 0.708 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.489 -10.702 2.973 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.682 -11.069 0.921 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.078 -11.580 2.067 1.00 0.00 C ATOM 0 H PHE A 51 -6.564 -7.683 3.515 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.812 -5.415 1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.168 -7.260 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.968 -7.012 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.930 -8.655 3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.372 -9.302 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.060 -11.082 3.889 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.085 -11.749 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.067 -12.644 2.251 1.00 0.00 H new ATOM 426 N ASN A 52 -8.839 -6.458 0.391 1.00 0.00 N ATOM 427 CA ASN A 52 -10.148 -6.729 -0.184 1.00 0.00 C ATOM 428 C ASN A 52 -9.943 -7.041 -1.648 1.00 0.00 C ATOM 429 O ASN A 52 -8.900 -6.745 -2.226 1.00 0.00 O ATOM 430 CB ASN A 52 -11.155 -5.577 0.008 1.00 0.00 C ATOM 431 CG ASN A 52 -10.588 -4.185 0.235 1.00 0.00 C ATOM 432 OD1 ASN A 52 -10.639 -3.325 -0.645 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.110 -3.938 1.445 1.00 0.00 N ATOM 0 H ASN A 52 -8.230 -5.968 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.593 -7.575 0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -11.797 -5.540 -0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.792 -5.824 0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.766 -3.006 1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.086 -4.680 2.145 1.00 0.00 H new ATOM 440 N THR A 53 -10.935 -7.693 -2.230 1.00 0.00 N ATOM 441 CA THR A 53 -10.975 -8.041 -3.636 1.00 0.00 C ATOM 442 C THR A 53 -10.867 -6.778 -4.491 1.00 0.00 C ATOM 443 O THR A 53 -11.433 -5.741 -4.136 1.00 0.00 O ATOM 444 CB THR A 53 -12.268 -8.831 -3.898 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.224 -8.701 -2.856 1.00 0.00 O ATOM 446 CG2 THR A 53 -11.946 -10.316 -4.004 1.00 0.00 C ATOM 0 H THR A 53 -11.761 -8.004 -1.718 1.00 0.00 H new ATOM 0 HA THR A 53 -10.129 -8.671 -3.910 1.00 0.00 H new ATOM 0 HB THR A 53 -12.686 -8.423 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.023 -9.222 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.863 -10.875 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.249 -10.479 -4.826 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.495 -10.658 -3.072 1.00 0.00 H new ATOM 454 N GLY A 54 -10.134 -6.864 -5.596 1.00 0.00 N ATOM 455 CA GLY A 54 -9.920 -5.766 -6.515 1.00 0.00 C ATOM 456 C GLY A 54 -9.156 -6.255 -7.725 1.00 0.00 C ATOM 457 O GLY A 54 -8.840 -7.435 -7.866 1.00 0.00 O ATOM 0 H GLY A 54 -9.663 -7.723 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.877 -5.345 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.365 -4.968 -6.021 1.00 0.00 H new ATOM 461 N ASP A 55 -8.886 -5.339 -8.633 1.00 0.00 N ATOM 462 CA ASP A 55 -8.232 -5.640 -9.886 1.00 0.00 C ATOM 463 C ASP A 55 -6.723 -5.527 -9.690 1.00 0.00 C ATOM 464 O ASP A 55 -6.208 -4.463 -9.326 1.00 0.00 O ATOM 465 CB ASP A 55 -8.783 -4.720 -10.972 1.00 0.00 C ATOM 466 CG ASP A 55 -9.515 -5.570 -12.005 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.751 -5.439 -12.160 1.00 0.00 O ATOM 468 OD2 ASP A 55 -8.863 -6.410 -12.660 1.00 0.00 O ATOM 0 H ASP A 55 -9.119 -4.353 -8.518 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.434 -6.660 -10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.461 -3.986 -10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.973 -4.165 -11.445 1.00 0.00 H new ATOM 474 N SER A 56 -6.008 -6.642 -9.819 1.00 0.00 N ATOM 475 CA SER A 56 -4.561 -6.768 -9.655 1.00 0.00 C ATOM 476 C SER A 56 -4.117 -8.054 -10.366 1.00 0.00 C ATOM 477 O SER A 56 -4.931 -8.697 -11.034 1.00 0.00 O ATOM 478 CB SER A 56 -4.212 -6.838 -8.158 1.00 0.00 C ATOM 479 OG SER A 56 -4.693 -5.716 -7.457 1.00 0.00 O ATOM 0 H SER A 56 -6.447 -7.532 -10.054 1.00 0.00 H new ATOM 0 HA SER A 56 -4.049 -5.907 -10.084 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.636 -7.745 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.131 -6.905 -8.039 1.00 0.00 H new ATOM 0 HG SER A 56 -4.455 -5.795 -6.510 1.00 0.00 H new ATOM 485 N GLU A 57 -2.859 -8.474 -10.199 1.00 0.00 N ATOM 486 CA GLU A 57 -2.436 -9.807 -10.612 1.00 0.00 C ATOM 487 C GLU A 57 -3.199 -10.844 -9.792 1.00 0.00 C ATOM 488 O GLU A 57 -3.941 -11.643 -10.356 1.00 0.00 O ATOM 489 CB GLU A 57 -0.918 -9.986 -10.464 1.00 0.00 C ATOM 490 CG GLU A 57 -0.115 -9.062 -11.393 1.00 0.00 C ATOM 491 CD GLU A 57 -0.260 -9.460 -12.864 1.00 0.00 C ATOM 492 OE1 GLU A 57 -1.293 -9.155 -13.493 1.00 0.00 O ATOM 493 OE2 GLU A 57 0.631 -10.161 -13.403 1.00 0.00 O ATOM 0 H GLU A 57 -2.120 -7.908 -9.781 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.665 -9.943 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.633 -9.791 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.657 -11.023 -10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.452 -8.034 -11.261 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.938 -9.091 -11.112 1.00 0.00 H new ATOM 501 N GLN A 58 -3.062 -10.812 -8.463 1.00 0.00 N ATOM 502 CA GLN A 58 -3.647 -11.868 -7.636 1.00 0.00 C ATOM 503 C GLN A 58 -5.155 -11.653 -7.407 1.00 0.00 C ATOM 504 O GLN A 58 -5.882 -12.598 -7.088 1.00 0.00 O ATOM 505 CB GLN A 58 -2.873 -12.060 -6.320 1.00 0.00 C ATOM 506 CG GLN A 58 -1.379 -11.676 -6.378 1.00 0.00 C ATOM 507 CD GLN A 58 -1.197 -10.233 -5.913 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.261 -9.306 -6.715 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.071 -10.007 -4.616 1.00 0.00 N ATOM 0 H GLN A 58 -2.564 -10.086 -7.948 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.550 -12.801 -8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.355 -11.467 -5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.952 -13.105 -6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.797 -12.347 -5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.004 -11.790 -7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.019 -10.790 -3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.025 -9.050 -4.267 1.00 0.00 H new ATOM 518 N GLY A 59 -5.633 -10.421 -7.605 1.00 0.00 N ATOM 519 CA GLY A 59 -7.044 -10.060 -7.554 1.00 0.00 C ATOM 520 C GLY A 59 -7.495 -9.490 -6.201 1.00 0.00 C ATOM 521 O GLY A 59 -8.675 -9.586 -5.857 1.00 0.00 O ATOM 0 H GLY A 59 -5.027 -9.627 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.249 -9.325 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.642 -10.942 -7.783 1.00 0.00 H new ATOM 525 N ILE A 60 -6.577 -8.937 -5.402 1.00 0.00 N ATOM 526 CA ILE A 60 -6.850 -8.344 -4.092 1.00 0.00 C ATOM 527 C ILE A 60 -5.887 -7.172 -3.869 1.00 0.00 C ATOM 528 O ILE A 60 -4.749 -7.208 -4.348 1.00 0.00 O ATOM 529 CB ILE A 60 -6.688 -9.386 -2.956 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.423 -10.252 -3.178 1.00 0.00 C ATOM 531 CG2 ILE A 60 -7.934 -10.284 -2.796 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.082 -11.053 -1.935 1.00 0.00 C ATOM 0 H ILE A 60 -5.591 -8.889 -5.659 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.882 -7.993 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.574 -8.824 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.585 -10.929 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.582 -9.611 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.768 -10.996 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.801 -9.666 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.114 -10.825 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.190 -11.651 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.896 -10.373 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.915 -11.711 -1.686 1.00 0.00 H new ATOM 544 N VAL A 61 -6.316 -6.182 -3.086 1.00 0.00 N ATOM 545 CA VAL A 61 -5.579 -4.963 -2.778 1.00 0.00 C ATOM 546 C VAL A 61 -5.568 -4.712 -1.262 1.00 0.00 C ATOM 547 O VAL A 61 -6.611 -4.877 -0.626 1.00 0.00 O ATOM 548 CB VAL A 61 -6.166 -3.764 -3.557 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.919 -3.937 -5.061 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.676 -3.546 -3.331 1.00 0.00 C ATOM 0 H VAL A 61 -7.228 -6.212 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.544 -5.084 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.651 -2.885 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.337 -3.086 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.847 -3.994 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.397 -4.854 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.010 -2.687 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.223 -4.434 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.863 -3.364 -2.273 1.00 0.00 H new ATOM 560 N PRO A 62 -4.419 -4.365 -0.645 1.00 0.00 N ATOM 561 CA PRO A 62 -4.332 -4.026 0.774 1.00 0.00 C ATOM 562 C PRO A 62 -5.125 -2.747 1.091 1.00 0.00 C ATOM 563 O PRO A 62 -5.218 -1.838 0.267 1.00 0.00 O ATOM 564 CB PRO A 62 -2.840 -3.842 1.080 1.00 0.00 C ATOM 565 CG PRO A 62 -2.084 -4.152 -0.206 1.00 0.00 C ATOM 566 CD PRO A 62 -3.140 -4.162 -1.299 1.00 0.00 C ATOM 0 HA PRO A 62 -4.766 -4.812 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.636 -2.824 1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.525 -4.508 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.320 -3.400 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.576 -5.114 -0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.133 -3.222 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.944 -4.957 -2.019 1.00 0.00 H new ATOM 574 N CYS A 63 -5.646 -2.632 2.316 1.00 0.00 N ATOM 575 CA CYS A 63 -6.213 -1.387 2.817 1.00 0.00 C ATOM 576 C CYS A 63 -5.047 -0.455 3.122 1.00 0.00 C ATOM 577 O CYS A 63 -4.230 -0.749 3.999 1.00 0.00 O ATOM 578 CB CYS A 63 -7.066 -1.619 4.069 1.00 0.00 C ATOM 579 SG CYS A 63 -7.811 -0.119 4.752 1.00 0.00 S ATOM 0 H CYS A 63 -5.684 -3.402 2.984 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.876 -0.950 2.070 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.859 -2.327 3.828 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.446 -2.084 4.836 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.512 -0.423 5.804 1.00 0.00 H new ATOM 585 N LEU A 64 -4.945 0.654 2.391 1.00 0.00 N ATOM 586 CA LEU A 64 -3.895 1.648 2.549 1.00 0.00 C ATOM 587 C LEU A 64 -4.600 2.979 2.768 1.00 0.00 C ATOM 588 O LEU A 64 -5.016 3.623 1.810 1.00 0.00 O ATOM 589 CB LEU A 64 -2.949 1.660 1.339 1.00 0.00 C ATOM 590 CG LEU A 64 -2.223 0.311 1.091 1.00 0.00 C ATOM 591 CD1 LEU A 64 -2.359 -0.201 -0.351 1.00 0.00 C ATOM 592 CD2 LEU A 64 -0.739 0.435 1.430 1.00 0.00 C ATOM 0 H LEU A 64 -5.610 0.888 1.654 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.252 1.423 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.519 1.923 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.203 2.441 1.482 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.710 -0.413 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.828 -1.147 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.413 -0.349 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.933 0.530 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.244 -0.519 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.285 1.203 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.627 0.710 2.479 1.00 0.00 H new ATOM 604 N THR A 65 -4.816 3.337 4.028 1.00 0.00 N ATOM 605 CA THR A 65 -5.598 4.493 4.450 1.00 0.00 C ATOM 606 C THR A 65 -4.748 5.756 4.329 1.00 0.00 C ATOM 607 O THR A 65 -3.522 5.676 4.339 1.00 0.00 O ATOM 608 CB THR A 65 -6.112 4.282 5.895 1.00 0.00 C ATOM 609 OG1 THR A 65 -5.092 4.519 6.844 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.627 2.850 6.143 1.00 0.00 C ATOM 0 H THR A 65 -4.437 2.810 4.814 1.00 0.00 H new ATOM 0 HA THR A 65 -6.468 4.610 3.804 1.00 0.00 H new ATOM 0 HB THR A 65 -6.931 4.993 6.010 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.482 4.914 7.652 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.974 2.761 7.172 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.451 2.637 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.820 2.138 5.970 1.00 0.00 H new ATOM 618 N ARG A 66 -5.358 6.944 4.335 1.00 0.00 N ATOM 619 CA ARG A 66 -4.657 8.227 4.411 1.00 0.00 C ATOM 620 C ARG A 66 -3.555 8.188 5.457 1.00 0.00 C ATOM 621 O ARG A 66 -2.473 8.731 5.231 1.00 0.00 O ATOM 622 CB ARG A 66 -5.670 9.329 4.740 1.00 0.00 C ATOM 623 CG ARG A 66 -5.044 10.730 4.838 1.00 0.00 C ATOM 624 CD ARG A 66 -5.708 11.780 3.942 1.00 0.00 C ATOM 625 NE ARG A 66 -5.768 13.087 4.644 1.00 0.00 N ATOM 626 CZ ARG A 66 -6.857 13.699 5.151 1.00 0.00 C ATOM 627 NH1 ARG A 66 -8.085 13.246 4.932 1.00 0.00 N ATOM 628 NH2 ARG A 66 -6.728 14.789 5.896 1.00 0.00 N ATOM 0 H ARG A 66 -6.372 7.042 4.286 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.188 8.434 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.445 9.339 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.159 9.092 5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.096 11.067 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.988 10.662 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.147 11.883 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.714 11.456 3.673 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.882 13.579 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.227 12.410 4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.887 13.734 5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.801 15.169 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.556 15.247 6.277 1.00 0.00 H new ATOM 642 N ALA A 67 -3.836 7.567 6.601 1.00 0.00 N ATOM 643 CA ALA A 67 -2.839 7.436 7.636 1.00 0.00 C ATOM 644 C ALA A 67 -1.742 6.442 7.249 1.00 0.00 C ATOM 645 O ALA A 67 -0.580 6.818 7.298 1.00 0.00 O ATOM 646 CB ALA A 67 -3.469 7.078 8.972 1.00 0.00 C ATOM 0 H ALA A 67 -4.741 7.153 6.824 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.363 8.410 7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.690 6.987 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.170 7.860 9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.000 6.130 8.882 1.00 0.00 H new ATOM 652 N GLN A 68 -2.076 5.206 6.853 1.00 0.00 N ATOM 653 CA GLN A 68 -1.114 4.178 6.426 1.00 0.00 C ATOM 654 C GLN A 68 -0.136 4.749 5.395 1.00 0.00 C ATOM 655 O GLN A 68 1.075 4.537 5.467 1.00 0.00 O ATOM 656 CB GLN A 68 -1.870 3.001 5.780 1.00 0.00 C ATOM 657 CG GLN A 68 -2.752 2.176 6.733 1.00 0.00 C ATOM 658 CD GLN A 68 -1.961 1.084 7.452 1.00 0.00 C ATOM 659 OE1 GLN A 68 -0.866 1.325 7.947 1.00 0.00 O ATOM 660 NE2 GLN A 68 -2.454 -0.146 7.498 1.00 0.00 N ATOM 0 H GLN A 68 -3.044 4.885 6.820 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.561 3.842 7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.498 3.391 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.142 2.334 5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.206 2.838 7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.566 1.721 6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.365 -0.346 7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.922 -0.892 7.946 1.00 0.00 H new ATOM 669 N LEU A 69 -0.674 5.462 4.413 1.00 0.00 N ATOM 670 CA LEU A 69 0.063 6.089 3.335 1.00 0.00 C ATOM 671 C LEU A 69 0.966 7.188 3.876 1.00 0.00 C ATOM 672 O LEU A 69 2.172 7.183 3.636 1.00 0.00 O ATOM 673 CB LEU A 69 -0.914 6.693 2.329 1.00 0.00 C ATOM 674 CG LEU A 69 -1.928 5.715 1.748 1.00 0.00 C ATOM 675 CD1 LEU A 69 -3.135 6.472 1.184 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.330 4.850 0.657 1.00 0.00 C ATOM 0 H LEU A 69 -1.679 5.623 4.348 1.00 0.00 H new ATOM 0 HA LEU A 69 0.677 5.332 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.453 7.507 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.344 7.131 1.510 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.242 5.063 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.851 5.760 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.610 7.045 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.804 7.150 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.091 4.170 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.969 5.484 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.499 4.273 1.064 1.00 0.00 H new ATOM 688 N ALA A 70 0.409 8.153 4.606 1.00 0.00 N ATOM 689 CA ALA A 70 1.223 9.223 5.147 1.00 0.00 C ATOM 690 C ALA A 70 2.260 8.680 6.138 1.00 0.00 C ATOM 691 O ALA A 70 3.287 9.333 6.324 1.00 0.00 O ATOM 692 CB ALA A 70 0.329 10.269 5.801 1.00 0.00 C ATOM 0 H ALA A 70 -0.584 8.211 4.830 1.00 0.00 H new ATOM 0 HA ALA A 70 1.772 9.694 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.945 11.072 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.357 10.677 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.242 9.807 6.607 1.00 0.00 H new ATOM 698 N SER A 71 2.043 7.495 6.725 1.00 0.00 N ATOM 699 CA SER A 71 3.021 6.868 7.606 1.00 0.00 C ATOM 700 C SER A 71 4.287 6.538 6.794 1.00 0.00 C ATOM 701 O SER A 71 5.377 7.013 7.123 1.00 0.00 O ATOM 702 CB SER A 71 2.468 5.611 8.282 1.00 0.00 C ATOM 703 OG SER A 71 1.570 5.927 9.327 1.00 0.00 O ATOM 0 H SER A 71 1.189 6.952 6.600 1.00 0.00 H new ATOM 0 HA SER A 71 3.264 7.569 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.960 4.994 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.293 5.019 8.679 1.00 0.00 H new ATOM 0 HG SER A 71 0.726 6.249 8.947 1.00 0.00 H new ATOM 709 N MET A 72 4.132 5.788 5.694 1.00 0.00 N ATOM 710 CA MET A 72 5.199 5.422 4.751 1.00 0.00 C ATOM 711 C MET A 72 5.723 6.627 3.935 1.00 0.00 C ATOM 712 O MET A 72 6.454 6.417 2.971 1.00 0.00 O ATOM 713 CB MET A 72 4.743 4.282 3.802 1.00 0.00 C ATOM 714 CG MET A 72 3.535 4.706 2.976 1.00 0.00 C ATOM 715 SD MET A 72 2.980 3.649 1.623 1.00 0.00 S ATOM 716 CE MET A 72 2.146 2.363 2.578 1.00 0.00 C ATOM 0 H MET A 72 3.225 5.405 5.426 1.00 0.00 H new ATOM 0 HA MET A 72 6.030 5.064 5.359 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.563 4.007 3.138 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.495 3.396 4.386 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.696 4.830 3.661 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.752 5.689 2.557 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.813 1.570 1.908 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.836 1.951 3.314 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.284 2.791 3.090 1.00 0.00 H new ATOM 726 N GLY A 73 5.329 7.870 4.240 1.00 0.00 N ATOM 727 CA GLY A 73 5.894 9.059 3.605 1.00 0.00 C ATOM 728 C GLY A 73 5.283 9.368 2.244 1.00 0.00 C ATOM 729 O GLY A 73 5.799 10.226 1.524 1.00 0.00 O ATOM 0 H GLY A 73 4.610 8.076 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.749 9.916 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.969 8.924 3.490 1.00 0.00 H new ATOM 733 N LEU A 74 4.181 8.709 1.863 1.00 0.00 N ATOM 734 CA LEU A 74 3.399 9.129 0.706 1.00 0.00 C ATOM 735 C LEU A 74 2.859 10.535 0.979 1.00 0.00 C ATOM 736 O LEU A 74 2.484 10.883 2.105 1.00 0.00 O ATOM 737 CB LEU A 74 2.333 8.067 0.373 1.00 0.00 C ATOM 738 CG LEU A 74 1.018 8.457 -0.340 1.00 0.00 C ATOM 739 CD1 LEU A 74 0.122 9.353 0.522 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.110 8.980 -1.773 1.00 0.00 C ATOM 0 H LEU A 74 3.816 7.885 2.342 1.00 0.00 H new ATOM 0 HA LEU A 74 4.006 9.199 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.818 7.310 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.057 7.586 1.311 1.00 0.00 H new ATOM 0 HG LEU A 74 0.547 7.482 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.787 9.596 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.139 8.829 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.654 10.272 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.110 9.212 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.722 9.882 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.563 8.220 -2.409 1.00 0.00 H new ATOM 752 N ASN A 75 2.824 11.349 -0.071 1.00 0.00 N ATOM 753 CA ASN A 75 2.367 12.730 -0.023 1.00 0.00 C ATOM 754 C ASN A 75 0.888 12.817 -0.389 1.00 0.00 C ATOM 755 O ASN A 75 0.563 12.855 -1.575 1.00 0.00 O ATOM 756 CB ASN A 75 3.184 13.613 -0.977 1.00 0.00 C ATOM 757 CG ASN A 75 2.864 15.084 -0.719 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.573 15.487 0.407 1.00 0.00 O ATOM 759 ND2 ASN A 75 2.891 15.923 -1.729 1.00 0.00 N ATOM 0 H ASN A 75 3.121 11.057 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 75 2.507 13.091 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.249 13.432 -0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.954 13.357 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.671 16.908 -1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.132 15.590 -2.662 1.00 0.00 H new ATOM 766 N THR A 76 -0.030 12.851 0.582 1.00 0.00 N ATOM 767 CA THR A 76 -1.461 12.941 0.315 1.00 0.00 C ATOM 768 C THR A 76 -1.801 14.157 -0.543 1.00 0.00 C ATOM 769 O THR A 76 -2.751 14.114 -1.319 1.00 0.00 O ATOM 770 CB THR A 76 -2.226 12.931 1.650 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.765 13.929 2.546 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.031 11.596 2.375 1.00 0.00 C ATOM 0 H THR A 76 0.203 12.817 1.575 1.00 0.00 H new ATOM 0 HA THR A 76 -1.772 12.074 -0.267 1.00 0.00 H new ATOM 0 HB THR A 76 -3.269 13.108 1.389 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.281 13.885 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.580 11.610 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.403 10.785 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.971 11.442 2.576 1.00 0.00 H new ATOM 780 N ALA A 77 -1.011 15.226 -0.428 1.00 0.00 N ATOM 781 CA ALA A 77 -1.222 16.456 -1.164 1.00 0.00 C ATOM 782 C ALA A 77 -0.845 16.358 -2.645 1.00 0.00 C ATOM 783 O ALA A 77 -1.263 17.234 -3.405 1.00 0.00 O ATOM 784 CB ALA A 77 -0.414 17.565 -0.504 1.00 0.00 C ATOM 0 H ALA A 77 -0.199 15.254 0.189 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.290 16.670 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.564 18.497 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.743 17.690 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.644 17.302 -0.518 1.00 0.00 H new ATOM 790 N SER A 78 -0.067 15.349 -3.064 1.00 0.00 N ATOM 791 CA SER A 78 0.257 15.135 -4.473 1.00 0.00 C ATOM 792 C SER A 78 -0.959 14.615 -5.257 1.00 0.00 C ATOM 793 O SER A 78 -0.921 14.639 -6.489 1.00 0.00 O ATOM 794 CB SER A 78 1.420 14.137 -4.627 1.00 0.00 C ATOM 795 OG SER A 78 2.679 14.662 -4.247 1.00 0.00 O ATOM 0 H SER A 78 0.351 14.664 -2.435 1.00 0.00 H new ATOM 0 HA SER A 78 0.553 16.102 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.209 13.253 -4.026 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.471 13.811 -5.666 1.00 0.00 H new ATOM 0 HG SER A 78 3.385 14.235 -4.776 1.00 0.00 H new ATOM 801 N VAL A 79 -2.016 14.125 -4.589 1.00 0.00 N ATOM 802 CA VAL A 79 -3.051 13.322 -5.218 1.00 0.00 C ATOM 803 C VAL A 79 -4.387 14.042 -5.044 1.00 0.00 C ATOM 804 O VAL A 79 -4.750 14.433 -3.932 1.00 0.00 O ATOM 805 CB VAL A 79 -3.044 11.905 -4.612 1.00 0.00 C ATOM 806 CG1 VAL A 79 -3.644 10.906 -5.609 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.649 11.442 -4.152 1.00 0.00 C ATOM 0 H VAL A 79 -2.168 14.282 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.872 13.203 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.660 11.944 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.635 9.907 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.670 11.193 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.053 10.907 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.718 10.437 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.968 11.436 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.272 12.125 -3.391 1.00 0.00 H new ATOM 817 N ALA A 80 -5.096 14.253 -6.155 1.00 0.00 N ATOM 818 CA ALA A 80 -6.277 15.105 -6.213 1.00 0.00 C ATOM 819 C ALA A 80 -7.364 14.687 -5.219 1.00 0.00 C ATOM 820 O ALA A 80 -7.962 15.542 -4.568 1.00 0.00 O ATOM 821 CB ALA A 80 -6.815 15.109 -7.644 1.00 0.00 C ATOM 0 H ALA A 80 -4.859 13.828 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.981 16.113 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.699 15.744 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.050 15.493 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.079 14.093 -7.936 1.00 0.00 H new ATOM 827 N GLY A 81 -7.635 13.388 -5.100 1.00 0.00 N ATOM 828 CA GLY A 81 -8.709 12.859 -4.275 1.00 0.00 C ATOM 829 C GLY A 81 -8.180 12.027 -3.118 1.00 0.00 C ATOM 830 O GLY A 81 -8.758 10.982 -2.841 1.00 0.00 O ATOM 0 H GLY A 81 -7.103 12.665 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.307 13.683 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.370 12.248 -4.889 1.00 0.00 H new ATOM 834 N MET A 82 -7.102 12.440 -2.435 1.00 0.00 N ATOM 835 CA MET A 82 -6.544 11.658 -1.324 1.00 0.00 C ATOM 836 C MET A 82 -6.689 12.350 0.014 1.00 0.00 C ATOM 837 O MET A 82 -7.121 11.749 0.998 1.00 0.00 O ATOM 838 CB MET A 82 -5.079 11.361 -1.578 1.00 0.00 C ATOM 839 CG MET A 82 -4.458 10.528 -0.462 1.00 0.00 C ATOM 840 SD MET A 82 -2.887 9.785 -0.953 1.00 0.00 S ATOM 841 CE MET A 82 -3.425 8.619 -2.219 1.00 0.00 C ATOM 0 H MET A 82 -6.602 13.307 -2.632 1.00 0.00 H new ATOM 0 HA MET A 82 -7.116 10.732 -1.278 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.976 10.831 -2.525 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.532 12.299 -1.677 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.301 11.158 0.414 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.153 9.741 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.659 7.856 -2.360 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.356 8.146 -1.906 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.586 9.149 -3.158 1.00 0.00 H new ATOM 851 N ASN A 83 -6.308 13.622 0.060 1.00 0.00 N ATOM 852 CA ASN A 83 -6.288 14.468 1.247 1.00 0.00 C ATOM 853 C ASN A 83 -7.672 14.728 1.860 1.00 0.00 C ATOM 854 O ASN A 83 -7.793 15.583 2.734 1.00 0.00 O ATOM 855 CB ASN A 83 -5.588 15.787 0.901 1.00 0.00 C ATOM 856 CG ASN A 83 -6.259 16.577 -0.212 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.363 16.106 -1.338 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.679 17.799 0.042 1.00 0.00 N ATOM 0 H ASN A 83 -5.988 14.116 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.737 13.928 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.544 16.408 1.796 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.559 15.574 0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.094 18.360 -0.701 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.589 18.184 0.982 1.00 0.00 H new ATOM 865 N LEU A 84 -8.707 14.008 1.429 1.00 0.00 N ATOM 866 CA LEU A 84 -10.089 14.123 1.855 1.00 0.00 C ATOM 867 C LEU A 84 -10.657 12.790 2.383 1.00 0.00 C ATOM 868 O LEU A 84 -11.717 12.813 3.010 1.00 0.00 O ATOM 869 CB LEU A 84 -10.990 14.753 0.770 1.00 0.00 C ATOM 870 CG LEU A 84 -10.670 14.499 -0.711 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.404 15.235 -1.157 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.586 13.005 -1.029 1.00 0.00 C ATOM 0 H LEU A 84 -8.587 13.280 0.724 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.090 14.814 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.009 14.409 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.986 15.832 0.926 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.502 14.907 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.215 15.028 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.538 16.308 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.556 14.894 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.358 12.870 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.800 12.549 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.540 12.530 -0.800 1.00 0.00 H new ATOM 884 N LEU A 85 -9.986 11.644 2.195 1.00 0.00 N ATOM 885 CA LEU A 85 -10.463 10.340 2.690 1.00 0.00 C ATOM 886 C LEU A 85 -10.143 10.163 4.175 1.00 0.00 C ATOM 887 O LEU A 85 -9.200 10.777 4.672 1.00 0.00 O ATOM 888 CB LEU A 85 -9.771 9.190 1.947 1.00 0.00 C ATOM 889 CG LEU A 85 -10.214 9.019 0.484 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.999 9.065 -0.413 1.00 0.00 C ATOM 891 CD2 LEU A 85 -10.978 7.710 0.278 1.00 0.00 C ATOM 0 H LEU A 85 -9.098 11.593 1.696 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.540 10.319 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.694 9.355 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.963 8.260 2.483 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.891 9.835 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.308 8.944 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.495 10.024 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.316 8.260 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.275 7.623 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.338 6.869 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.866 7.704 0.910 1.00 0.00 H new ATOM 903 N ALA A 86 -10.877 9.276 4.856 1.00 0.00 N ATOM 904 CA ALA A 86 -10.712 9.010 6.283 1.00 0.00 C ATOM 905 C ALA A 86 -9.381 8.340 6.606 1.00 0.00 C ATOM 906 O ALA A 86 -8.798 7.651 5.777 1.00 0.00 O ATOM 907 CB ALA A 86 -11.835 8.095 6.773 1.00 0.00 C ATOM 0 H ALA A 86 -11.612 8.717 4.422 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.741 9.977 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.707 7.900 7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.797 8.579 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.802 7.153 6.225 1.00 0.00 H new ATOM 913 N ASP A 87 -8.965 8.404 7.865 1.00 0.00 N ATOM 914 CA ASP A 87 -7.784 7.727 8.399 1.00 0.00 C ATOM 915 C ASP A 87 -7.890 6.206 8.422 1.00 0.00 C ATOM 916 O ASP A 87 -6.877 5.539 8.653 1.00 0.00 O ATOM 917 CB ASP A 87 -7.528 8.233 9.817 1.00 0.00 C ATOM 918 CG ASP A 87 -8.565 7.727 10.820 1.00 0.00 C ATOM 919 OD1 ASP A 87 -9.726 8.188 10.725 1.00 0.00 O ATOM 920 OD2 ASP A 87 -8.209 6.919 11.705 1.00 0.00 O ATOM 0 H ASP A 87 -9.459 8.950 8.571 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.959 7.963 7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.535 7.918 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.531 9.323 9.816 1.00 0.00 H new ATOM 926 N ASP A 88 -9.064 5.663 8.095 1.00 0.00 N ATOM 927 CA ASP A 88 -9.269 4.222 7.966 1.00 0.00 C ATOM 928 C ASP A 88 -10.104 3.841 6.757 1.00 0.00 C ATOM 929 O ASP A 88 -10.857 2.859 6.794 1.00 0.00 O ATOM 930 CB ASP A 88 -9.939 3.680 9.224 1.00 0.00 C ATOM 931 CG ASP A 88 -9.464 2.252 9.508 1.00 0.00 C ATOM 932 OD1 ASP A 88 -10.312 1.326 9.556 1.00 0.00 O ATOM 933 OD2 ASP A 88 -8.239 2.043 9.639 1.00 0.00 O ATOM 0 H ASP A 88 -9.902 6.214 7.912 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.282 3.781 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.707 4.323 10.073 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.022 3.692 9.101 1.00 0.00 H new ATOM 939 N ALA A 89 -9.917 4.559 5.647 1.00 0.00 N ATOM 940 CA ALA A 89 -10.658 4.260 4.436 1.00 0.00 C ATOM 941 C ALA A 89 -9.757 3.524 3.448 1.00 0.00 C ATOM 942 O ALA A 89 -8.595 3.905 3.324 1.00 0.00 O ATOM 943 CB ALA A 89 -11.240 5.530 3.807 1.00 0.00 C ATOM 0 H ALA A 89 -9.266 5.340 5.569 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.498 3.616 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.789 5.269 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.915 6.010 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.431 6.215 3.556 1.00 0.00 H new ATOM 949 N CYS A 90 -10.278 2.526 2.732 1.00 0.00 N ATOM 950 CA CYS A 90 -9.542 1.739 1.744 1.00 0.00 C ATOM 951 C CYS A 90 -9.261 2.569 0.482 1.00 0.00 C ATOM 952 O CYS A 90 -9.960 2.415 -0.523 1.00 0.00 O ATOM 953 CB CYS A 90 -10.348 0.482 1.376 1.00 0.00 C ATOM 954 SG CYS A 90 -10.639 -0.706 2.705 1.00 0.00 S ATOM 0 H CYS A 90 -11.251 2.236 2.827 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.587 1.444 2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.314 0.799 0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.829 -0.032 0.567 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.674 -0.632 3.573 1.00 0.00 H new ATOM 960 N VAL A 91 -8.246 3.437 0.500 1.00 0.00 N ATOM 961 CA VAL A 91 -7.942 4.281 -0.653 1.00 0.00 C ATOM 962 C VAL A 91 -7.543 3.385 -1.829 1.00 0.00 C ATOM 963 O VAL A 91 -6.795 2.423 -1.619 1.00 0.00 O ATOM 964 CB VAL A 91 -6.817 5.284 -0.334 1.00 0.00 C ATOM 965 CG1 VAL A 91 -6.695 6.351 -1.418 1.00 0.00 C ATOM 966 CG2 VAL A 91 -7.069 6.015 0.974 1.00 0.00 C ATOM 0 H VAL A 91 -7.625 3.572 1.298 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.828 4.860 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.904 4.692 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.892 7.041 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.472 5.875 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.634 6.899 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.254 6.713 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.009 6.564 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.126 5.293 1.789 1.00 0.00 H new ATOM 976 N PRO A 92 -7.989 3.684 -3.061 1.00 0.00 N ATOM 977 CA PRO A 92 -7.571 2.957 -4.244 1.00 0.00 C ATOM 978 C PRO A 92 -6.178 3.410 -4.650 1.00 0.00 C ATOM 979 O PRO A 92 -6.015 4.132 -5.632 1.00 0.00 O ATOM 980 CB PRO A 92 -8.637 3.233 -5.299 1.00 0.00 C ATOM 981 CG PRO A 92 -9.077 4.648 -4.943 1.00 0.00 C ATOM 982 CD PRO A 92 -8.970 4.696 -3.422 1.00 0.00 C ATOM 0 HA PRO A 92 -7.493 1.881 -4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.235 3.173 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.462 2.523 -5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.437 5.395 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.095 4.846 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.656 5.683 -3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.934 4.490 -2.956 1.00 0.00 H new ATOM 990 N LEU A 93 -5.169 3.011 -3.876 1.00 0.00 N ATOM 991 CA LEU A 93 -3.782 3.384 -4.107 1.00 0.00 C ATOM 992 C LEU A 93 -3.410 3.033 -5.536 1.00 0.00 C ATOM 993 O LEU A 93 -2.983 3.903 -6.289 1.00 0.00 O ATOM 994 CB LEU A 93 -2.877 2.690 -3.077 1.00 0.00 C ATOM 995 CG LEU A 93 -1.504 3.374 -2.940 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.734 2.784 -1.770 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.606 3.239 -4.155 1.00 0.00 C ATOM 0 H LEU A 93 -5.298 2.412 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.645 4.458 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.374 2.684 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.733 1.649 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.741 4.429 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.234 3.277 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.299 2.934 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.584 1.717 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.338 3.751 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.414 2.184 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.096 3.685 -5.021 1.00 0.00 H new ATOM 1009 N THR A 94 -3.642 1.790 -5.933 1.00 0.00 N ATOM 1010 CA THR A 94 -3.238 1.260 -7.223 1.00 0.00 C ATOM 1011 C THR A 94 -4.105 1.782 -8.383 1.00 0.00 C ATOM 1012 O THR A 94 -3.952 1.297 -9.506 1.00 0.00 O ATOM 1013 CB THR A 94 -3.170 -0.276 -7.121 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.427 -0.850 -6.809 1.00 0.00 O ATOM 1015 CG2 THR A 94 -2.182 -0.695 -6.028 1.00 0.00 C ATOM 0 H THR A 94 -4.128 1.107 -5.351 1.00 0.00 H new ATOM 0 HA THR A 94 -2.242 1.626 -7.474 1.00 0.00 H new ATOM 0 HB THR A 94 -2.847 -0.634 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.338 -1.824 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.145 -1.783 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.190 -0.311 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.506 -0.290 -5.070 1.00 0.00 H new ATOM 1023 N THR A 95 -5.002 2.754 -8.153 1.00 0.00 N ATOM 1024 CA THR A 95 -5.624 3.566 -9.191 1.00 0.00 C ATOM 1025 C THR A 95 -5.124 5.007 -9.060 1.00 0.00 C ATOM 1026 O THR A 95 -4.583 5.558 -10.023 1.00 0.00 O ATOM 1027 CB THR A 95 -7.155 3.467 -9.094 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.572 2.127 -8.948 1.00 0.00 O ATOM 1029 CG2 THR A 95 -7.869 4.030 -10.321 1.00 0.00 C ATOM 0 H THR A 95 -5.317 2.997 -7.214 1.00 0.00 H new ATOM 0 HA THR A 95 -5.346 3.199 -10.179 1.00 0.00 H new ATOM 0 HB THR A 95 -7.422 4.059 -8.219 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.550 2.093 -8.887 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.947 3.931 -10.192 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.613 5.083 -10.440 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.558 3.478 -11.208 1.00 0.00 H new ATOM 1037 N MET A 96 -5.298 5.613 -7.886 1.00 0.00 N ATOM 1038 CA MET A 96 -5.043 7.020 -7.640 1.00 0.00 C ATOM 1039 C MET A 96 -3.562 7.381 -7.734 1.00 0.00 C ATOM 1040 O MET A 96 -3.260 8.511 -8.109 1.00 0.00 O ATOM 1041 CB MET A 96 -5.594 7.409 -6.264 1.00 0.00 C ATOM 1042 CG MET A 96 -7.066 7.814 -6.361 1.00 0.00 C ATOM 1043 SD MET A 96 -7.921 8.123 -4.788 1.00 0.00 S ATOM 1044 CE MET A 96 -6.561 8.612 -3.708 1.00 0.00 C ATOM 0 H MET A 96 -5.631 5.118 -7.059 1.00 0.00 H new ATOM 0 HA MET A 96 -5.553 7.583 -8.422 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.488 6.571 -5.575 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.012 8.234 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.133 8.716 -6.970 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.603 7.029 -6.894 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.950 8.847 -2.717 1.00 0.00 H new ATOM 0 HE2 MET A 96 -5.844 7.794 -3.632 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.066 9.491 -4.121 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.644 6.464 -7.423 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.237 6.628 -7.737 1.00 0.00 C ATOM 1056 C VAL A 97 -0.934 5.626 -8.849 1.00 0.00 C ATOM 1057 O VAL A 97 -1.124 4.417 -8.696 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.384 6.445 -6.473 1.00 0.00 C ATOM 1059 CG1 VAL A 97 1.087 6.738 -6.767 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -0.906 7.298 -5.298 1.00 0.00 C ATOM 0 H VAL A 97 -2.862 5.589 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.993 7.631 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.467 5.402 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.674 6.602 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.447 6.055 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.191 7.765 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.274 7.139 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.883 8.352 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.930 7.007 -5.064 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.525 6.130 -10.007 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.021 5.330 -11.107 1.00 0.00 C ATOM 1072 C GLN A 98 1.473 5.088 -10.889 1.00 0.00 C ATOM 1073 O GLN A 98 2.130 5.928 -10.275 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.310 6.099 -12.402 1.00 0.00 C ATOM 1075 CG GLN A 98 -0.625 5.123 -13.533 1.00 0.00 C ATOM 1076 CD GLN A 98 -0.649 5.820 -14.886 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -1.072 6.970 -15.021 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -0.173 5.136 -15.904 1.00 0.00 N ATOM 0 H GLN A 98 -0.536 7.130 -10.208 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.502 4.354 -11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.150 6.777 -12.252 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.550 6.712 -12.670 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.121 4.328 -13.546 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.590 4.652 -13.349 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.171 4.186 -15.764 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.148 5.556 -16.833 1.00 0.00 H new ATOM 1087 N ASP A 99 2.016 3.982 -11.407 1.00 0.00 N ATOM 1088 CA ASP A 99 3.343 3.391 -11.111 1.00 0.00 C ATOM 1089 C ASP A 99 3.434 2.738 -9.731 1.00 0.00 C ATOM 1090 O ASP A 99 4.339 1.942 -9.485 1.00 0.00 O ATOM 1091 CB ASP A 99 4.502 4.382 -11.271 1.00 0.00 C ATOM 1092 CG ASP A 99 5.867 3.705 -11.302 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.797 4.195 -10.617 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.082 2.840 -12.177 1.00 0.00 O ATOM 0 H ASP A 99 1.509 3.428 -12.097 1.00 0.00 H new ATOM 0 HA ASP A 99 3.444 2.611 -11.866 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.363 4.949 -12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.476 5.098 -10.449 1.00 0.00 H new ATOM 1100 N ALA A 100 2.490 3.029 -8.837 1.00 0.00 N ATOM 1101 CA ALA A 100 2.313 2.294 -7.600 1.00 0.00 C ATOM 1102 C ALA A 100 1.515 1.031 -7.868 1.00 0.00 C ATOM 1103 O ALA A 100 0.664 0.994 -8.759 1.00 0.00 O ATOM 1104 CB ALA A 100 1.543 3.158 -6.611 1.00 0.00 C ATOM 0 H ALA A 100 1.823 3.791 -8.959 1.00 0.00 H new ATOM 0 HA ALA A 100 3.290 2.034 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.407 2.610 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.102 4.073 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.569 3.410 -7.030 1.00 0.00 H new ATOM 1110 N THR A 101 1.760 0.028 -7.038 1.00 0.00 N ATOM 1111 CA THR A 101 1.197 -1.309 -7.174 1.00 0.00 C ATOM 1112 C THR A 101 1.215 -1.978 -5.798 1.00 0.00 C ATOM 1113 O THR A 101 1.933 -1.517 -4.897 1.00 0.00 O ATOM 1114 CB THR A 101 2.013 -2.121 -8.199 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.398 -1.986 -7.968 1.00 0.00 O ATOM 1116 CG2 THR A 101 1.734 -1.749 -9.659 1.00 0.00 C ATOM 0 H THR A 101 2.373 0.123 -6.228 1.00 0.00 H new ATOM 0 HA THR A 101 0.170 -1.258 -7.537 1.00 0.00 H new ATOM 0 HB THR A 101 1.691 -3.152 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.893 -2.512 -8.630 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.348 -2.366 -10.315 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.681 -1.918 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.975 -0.698 -9.819 1.00 0.00 H new ATOM 1124 N ALA A 102 0.431 -3.044 -5.607 1.00 0.00 N ATOM 1125 CA ALA A 102 0.422 -3.861 -4.406 1.00 0.00 C ATOM 1126 C ALA A 102 0.552 -5.345 -4.740 1.00 0.00 C ATOM 1127 O ALA A 102 -0.374 -5.953 -5.282 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.843 -3.592 -3.592 1.00 0.00 C ATOM 0 H ALA A 102 -0.233 -3.366 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 102 1.288 -3.586 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.837 -4.211 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.876 -2.540 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.720 -3.833 -4.193 1.00 0.00 H new ATOM 1134 N HIS A 103 1.690 -5.932 -4.368 1.00 0.00 N ATOM 1135 CA HIS A 103 2.035 -7.325 -4.632 1.00 0.00 C ATOM 1136 C HIS A 103 2.308 -7.996 -3.287 1.00 0.00 C ATOM 1137 O HIS A 103 3.351 -7.793 -2.670 1.00 0.00 O ATOM 1138 CB HIS A 103 3.231 -7.355 -5.596 1.00 0.00 C ATOM 1139 CG HIS A 103 3.999 -8.644 -5.773 1.00 0.00 C ATOM 1140 ND1 HIS A 103 5.145 -8.721 -6.523 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.731 -9.903 -5.295 1.00 0.00 C ATOM 1142 CE1 HIS A 103 5.542 -9.997 -6.540 1.00 0.00 C ATOM 1143 NE2 HIS A 103 4.706 -10.765 -5.813 1.00 0.00 N ATOM 0 H HIS A 103 2.419 -5.433 -3.858 1.00 0.00 H new ATOM 0 HA HIS A 103 1.231 -7.879 -5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.869 -7.050 -6.578 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.938 -6.594 -5.266 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.918 -10.178 -4.640 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.413 -10.363 -7.064 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.771 -11.773 -5.669 1.00 0.00 H new ATOM 1152 N LEU A 104 1.358 -8.790 -2.794 1.00 0.00 N ATOM 1153 CA LEU A 104 1.529 -9.536 -1.553 1.00 0.00 C ATOM 1154 C LEU A 104 2.353 -10.800 -1.825 1.00 0.00 C ATOM 1155 O LEU A 104 1.868 -11.769 -2.415 1.00 0.00 O ATOM 1156 CB LEU A 104 0.162 -9.721 -0.870 1.00 0.00 C ATOM 1157 CG LEU A 104 0.004 -10.798 0.210 1.00 0.00 C ATOM 1158 CD1 LEU A 104 -0.743 -12.061 -0.192 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.228 -11.118 1.007 1.00 0.00 C ATOM 0 H LEU A 104 0.453 -8.932 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 104 2.119 -8.990 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.113 -8.766 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.569 -9.930 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.665 -10.267 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.788 -12.743 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.755 -11.802 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.222 -12.544 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.994 -11.892 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.013 -11.474 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.570 -10.222 1.524 1.00 0.00 H new ATOM 1171 N ASP A 105 3.619 -10.778 -1.404 1.00 0.00 N ATOM 1172 CA ASP A 105 4.570 -11.879 -1.511 1.00 0.00 C ATOM 1173 C ASP A 105 4.311 -12.888 -0.395 1.00 0.00 C ATOM 1174 O ASP A 105 5.035 -12.912 0.605 1.00 0.00 O ATOM 1175 CB ASP A 105 6.010 -11.354 -1.377 1.00 0.00 C ATOM 1176 CG ASP A 105 7.012 -12.355 -1.923 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.019 -13.510 -1.456 1.00 0.00 O ATOM 1178 OD2 ASP A 105 7.799 -11.976 -2.821 1.00 0.00 O ATOM 0 H ASP A 105 4.024 -9.954 -0.960 1.00 0.00 H new ATOM 0 HA ASP A 105 4.445 -12.354 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.107 -10.410 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.230 -11.150 -0.329 1.00 0.00 H new ATOM 1184 N VAL A 106 3.219 -13.654 -0.450 1.00 0.00 N ATOM 1185 CA VAL A 106 2.879 -14.514 0.686 1.00 0.00 C ATOM 1186 C VAL A 106 3.987 -15.520 0.999 1.00 0.00 C ATOM 1187 O VAL A 106 4.100 -15.968 2.143 1.00 0.00 O ATOM 1188 CB VAL A 106 1.505 -15.176 0.487 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.523 -16.579 -0.129 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.768 -15.181 1.827 1.00 0.00 C ATOM 0 H VAL A 106 2.575 -13.698 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 106 2.799 -13.881 1.570 1.00 0.00 H new ATOM 0 HB VAL A 106 0.983 -14.574 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.502 -16.948 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.986 -16.538 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.094 -17.251 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.209 -15.648 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.348 -15.743 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.639 -14.156 2.175 1.00 0.00 H new ATOM 1200 N GLY A 107 4.851 -15.812 0.021 1.00 0.00 N ATOM 1201 CA GLY A 107 5.968 -16.695 0.216 1.00 0.00 C ATOM 1202 C GLY A 107 6.988 -16.084 1.174 1.00 0.00 C ATOM 1203 O GLY A 107 7.608 -16.840 1.924 1.00 0.00 O ATOM 0 H GLY A 107 4.781 -15.434 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.618 -17.648 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.443 -16.903 -0.743 1.00 0.00 H new ATOM 1207 N GLN A 108 7.152 -14.751 1.209 1.00 0.00 N ATOM 1208 CA GLN A 108 8.166 -14.106 2.045 1.00 0.00 C ATOM 1209 C GLN A 108 7.590 -13.285 3.204 1.00 0.00 C ATOM 1210 O GLN A 108 8.349 -12.772 4.020 1.00 0.00 O ATOM 1211 CB GLN A 108 9.124 -13.299 1.139 1.00 0.00 C ATOM 1212 CG GLN A 108 10.599 -13.656 1.392 1.00 0.00 C ATOM 1213 CD GLN A 108 10.846 -15.167 1.293 1.00 0.00 C ATOM 1214 OE1 GLN A 108 11.294 -15.793 2.244 1.00 0.00 O ATOM 1215 NE2 GLN A 108 10.470 -15.817 0.201 1.00 0.00 N ATOM 0 H GLN A 108 6.589 -14.100 0.662 1.00 0.00 H new ATOM 0 HA GLN A 108 8.734 -14.886 2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.880 -13.489 0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.975 -12.233 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.228 -13.137 0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.894 -13.304 2.381 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.096 -15.302 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.555 -16.833 0.157 1.00 0.00 H new ATOM 1224 N GLN A 109 6.261 -13.187 3.336 1.00 0.00 N ATOM 1225 CA GLN A 109 5.601 -12.267 4.275 1.00 0.00 C ATOM 1226 C GLN A 109 6.136 -10.835 4.112 1.00 0.00 C ATOM 1227 O GLN A 109 6.351 -10.109 5.080 1.00 0.00 O ATOM 1228 CB GLN A 109 5.605 -12.783 5.717 1.00 0.00 C ATOM 1229 CG GLN A 109 4.841 -14.110 5.797 1.00 0.00 C ATOM 1230 CD GLN A 109 4.333 -14.402 7.203 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.014 -15.015 8.019 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.115 -13.995 7.519 1.00 0.00 N ATOM 0 H GLN A 109 5.607 -13.748 2.790 1.00 0.00 H new ATOM 0 HA GLN A 109 4.543 -12.226 4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.630 -12.922 6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.145 -12.048 6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.998 -14.083 5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.492 -14.922 5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.554 -13.486 6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 109 2.736 -14.190 8.446 1.00 0.00 H new ATOM 1241 N ARG A 110 6.306 -10.419 2.860 1.00 0.00 N ATOM 1242 CA ARG A 110 6.596 -9.068 2.413 1.00 0.00 C ATOM 1243 C ARG A 110 5.406 -8.531 1.618 1.00 0.00 C ATOM 1244 O ARG A 110 4.842 -9.236 0.777 1.00 0.00 O ATOM 1245 CB ARG A 110 7.871 -9.166 1.574 1.00 0.00 C ATOM 1246 CG ARG A 110 8.161 -7.896 0.763 1.00 0.00 C ATOM 1247 CD ARG A 110 9.431 -8.039 -0.066 1.00 0.00 C ATOM 1248 NE ARG A 110 9.388 -9.199 -0.974 1.00 0.00 N ATOM 1249 CZ ARG A 110 10.431 -9.957 -1.328 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.646 -9.680 -0.882 1.00 0.00 N ATOM 1251 NH2 ARG A 110 10.286 -10.982 -2.157 1.00 0.00 N ATOM 0 H ARG A 110 6.239 -11.069 2.077 1.00 0.00 H new ATOM 0 HA ARG A 110 6.753 -8.372 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.716 -9.370 2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.786 -10.013 0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.318 -7.683 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.260 -7.047 1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.584 -7.131 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.287 -8.136 0.602 1.00 0.00 H new ATOM 0 HE ARG A 110 8.480 -9.446 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 110 11.793 -8.883 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.436 -10.264 -1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.366 -11.204 -2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.095 -11.548 -2.415 1.00 0.00 H new ATOM 1265 N LEU A 111 5.023 -7.278 1.842 1.00 0.00 N ATOM 1266 CA LEU A 111 4.265 -6.512 0.867 1.00 0.00 C ATOM 1267 C LEU A 111 5.322 -5.987 -0.100 1.00 0.00 C ATOM 1268 O LEU A 111 6.096 -5.114 0.298 1.00 0.00 O ATOM 1269 CB LEU A 111 3.503 -5.337 1.522 1.00 0.00 C ATOM 1270 CG LEU A 111 2.120 -5.047 0.936 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.341 -4.017 1.765 1.00 0.00 C ATOM 1272 CD2 LEU A 111 2.043 -4.965 -0.580 1.00 0.00 C ATOM 0 H LEU A 111 5.230 -6.769 2.702 1.00 0.00 H new ATOM 0 HA LEU A 111 3.503 -7.121 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.392 -5.546 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.112 -4.437 1.435 1.00 0.00 H new ATOM 0 HG LEU A 111 1.533 -5.957 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.366 -3.845 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.206 -4.393 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.897 -3.080 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.017 -4.756 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.695 -4.167 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.362 -5.913 -1.012 1.00 0.00 H new ATOM 1284 N ASN A 112 5.429 -6.524 -1.317 1.00 0.00 N ATOM 1285 CA ASN A 112 6.166 -5.842 -2.376 1.00 0.00 C ATOM 1286 C ASN A 112 5.269 -4.689 -2.783 1.00 0.00 C ATOM 1287 O ASN A 112 4.336 -4.838 -3.571 1.00 0.00 O ATOM 1288 CB ASN A 112 6.497 -6.723 -3.583 1.00 0.00 C ATOM 1289 CG ASN A 112 7.725 -7.582 -3.361 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.835 -7.096 -3.167 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.549 -8.888 -3.316 1.00 0.00 N ATOM 0 H ASN A 112 5.020 -7.418 -1.589 1.00 0.00 H new ATOM 0 HA ASN A 112 7.143 -5.528 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.644 -7.365 -3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.654 -6.091 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.339 -9.503 -3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.623 -9.284 -3.478 1.00 0.00 H new ATOM 1298 N LEU A 113 5.459 -3.575 -2.096 1.00 0.00 N ATOM 1299 CA LEU A 113 4.719 -2.358 -2.309 1.00 0.00 C ATOM 1300 C LEU A 113 5.548 -1.357 -3.112 1.00 0.00 C ATOM 1301 O LEU A 113 6.774 -1.324 -2.968 1.00 0.00 O ATOM 1302 CB LEU A 113 4.414 -1.768 -0.933 1.00 0.00 C ATOM 1303 CG LEU A 113 2.931 -1.666 -0.576 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.681 -0.289 -0.040 1.00 0.00 C ATOM 1305 CD2 LEU A 113 1.871 -1.834 -1.655 1.00 0.00 C ATOM 0 H LEU A 113 6.155 -3.498 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 113 3.806 -2.567 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.911 -2.377 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.853 -0.772 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 113 2.809 -2.517 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.628 -0.187 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.295 -0.127 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.938 0.449 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.881 -1.729 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.008 -1.071 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.964 -2.822 -2.106 1.00 0.00 H new ATOM 1317 N THR A 114 4.913 -0.457 -3.863 1.00 0.00 N ATOM 1318 CA THR A 114 5.649 0.488 -4.681 1.00 0.00 C ATOM 1319 C THR A 114 4.878 1.806 -4.772 1.00 0.00 C ATOM 1320 O THR A 114 3.646 1.752 -4.804 1.00 0.00 O ATOM 1321 CB THR A 114 5.819 -0.179 -6.053 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.446 -1.455 -5.991 1.00 0.00 O ATOM 1323 CG2 THR A 114 6.641 0.744 -6.913 1.00 0.00 C ATOM 0 H THR A 114 3.898 -0.368 -3.917 1.00 0.00 H new ATOM 0 HA THR A 114 6.624 0.731 -4.259 1.00 0.00 H new ATOM 0 HB THR A 114 4.826 -0.350 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 114 6.523 -1.826 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.780 0.297 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.126 1.699 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.613 0.905 -6.448 1.00 0.00 H new ATOM 1331 N ILE A 115 5.581 2.950 -4.844 1.00 0.00 N ATOM 1332 CA ILE A 115 5.073 4.298 -5.140 1.00 0.00 C ATOM 1333 C ILE A 115 6.171 5.096 -5.866 1.00 0.00 C ATOM 1334 O ILE A 115 7.310 5.101 -5.394 1.00 0.00 O ATOM 1335 CB ILE A 115 4.628 4.996 -3.825 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.262 4.439 -3.377 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.539 6.527 -3.936 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.651 5.139 -2.170 1.00 0.00 C ATOM 0 H ILE A 115 6.589 2.956 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 115 4.200 4.240 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 115 5.400 4.778 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.565 4.510 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.375 3.380 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.223 6.943 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.516 6.930 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.815 6.795 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.693 4.679 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.323 5.046 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.500 6.194 -2.399 1.00 0.00 H new ATOM 1350 N PRO A 116 5.849 5.839 -6.944 1.00 0.00 N ATOM 1351 CA PRO A 116 6.789 6.739 -7.596 1.00 0.00 C ATOM 1352 C PRO A 116 7.137 7.923 -6.687 1.00 0.00 C ATOM 1353 O PRO A 116 6.289 8.434 -5.955 1.00 0.00 O ATOM 1354 CB PRO A 116 6.077 7.237 -8.846 1.00 0.00 C ATOM 1355 CG PRO A 116 4.610 7.161 -8.476 1.00 0.00 C ATOM 1356 CD PRO A 116 4.540 5.942 -7.566 1.00 0.00 C ATOM 0 HA PRO A 116 7.725 6.231 -7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.374 8.255 -9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.305 6.615 -9.712 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.277 8.064 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.979 7.042 -9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.758 6.058 -6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.305 5.042 -8.134 1.00 0.00 H new ATOM 1364 N GLN A 117 8.366 8.428 -6.804 1.00 0.00 N ATOM 1365 CA GLN A 117 8.898 9.501 -5.960 1.00 0.00 C ATOM 1366 C GLN A 117 8.022 10.767 -5.981 1.00 0.00 C ATOM 1367 O GLN A 117 7.934 11.461 -4.972 1.00 0.00 O ATOM 1368 CB GLN A 117 10.332 9.856 -6.386 1.00 0.00 C ATOM 1369 CG GLN A 117 11.341 8.699 -6.315 1.00 0.00 C ATOM 1370 CD GLN A 117 11.714 8.303 -4.887 1.00 0.00 C ATOM 1371 OE1 GLN A 117 12.473 9.000 -4.216 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.192 7.195 -4.383 1.00 0.00 N ATOM 0 H GLN A 117 9.033 8.097 -7.501 1.00 0.00 H new ATOM 0 HA GLN A 117 8.897 9.123 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.307 10.233 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.691 10.669 -5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.924 7.832 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.246 8.983 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.564 6.624 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.418 6.912 -3.429 1.00 0.00 H new ATOM 1381 N ALA A 118 7.336 11.048 -7.095 1.00 0.00 N ATOM 1382 CA ALA A 118 6.404 12.170 -7.231 1.00 0.00 C ATOM 1383 C ALA A 118 5.261 12.157 -6.199 1.00 0.00 C ATOM 1384 O ALA A 118 4.635 13.188 -5.946 1.00 0.00 O ATOM 1385 CB ALA A 118 5.830 12.157 -8.651 1.00 0.00 C ATOM 0 H ALA A 118 7.416 10.489 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 118 6.966 13.084 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.133 12.987 -8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.641 12.258 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.307 11.217 -8.823 1.00 0.00 H new ATOM 1391 N PHE A 119 4.970 11.013 -5.577 1.00 0.00 N ATOM 1392 CA PHE A 119 3.910 10.901 -4.596 1.00 0.00 C ATOM 1393 C PHE A 119 4.551 10.551 -3.255 1.00 0.00 C ATOM 1394 O PHE A 119 3.956 9.855 -2.436 1.00 0.00 O ATOM 1395 CB PHE A 119 2.926 9.831 -5.092 1.00 0.00 C ATOM 1396 CG PHE A 119 2.134 10.164 -6.346 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.761 10.331 -7.593 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.732 10.188 -6.291 1.00 0.00 C ATOM 1399 CE1 PHE A 119 2.005 10.551 -8.753 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.034 10.373 -7.456 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.602 10.551 -8.695 1.00 0.00 C ATOM 0 H PHE A 119 5.470 10.140 -5.746 1.00 0.00 H new ATOM 0 HA PHE A 119 3.352 11.828 -4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.485 8.913 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.220 9.619 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.838 10.289 -7.658 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.234 10.063 -5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.504 10.721 -9.696 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.112 10.378 -7.397 1.00 0.00 H new ATOM 0 HZ PHE A 119 0.018 10.686 -9.594 1.00 0.00 H new ATOM 1411 N MET A 120 5.722 11.117 -2.963 1.00 0.00 N ATOM 1412 CA MET A 120 6.479 10.864 -1.749 1.00 0.00 C ATOM 1413 C MET A 120 6.993 12.196 -1.235 1.00 0.00 C ATOM 1414 O MET A 120 7.436 13.047 -2.008 1.00 0.00 O ATOM 1415 CB MET A 120 7.629 9.880 -2.012 1.00 0.00 C ATOM 1416 CG MET A 120 7.104 8.517 -2.476 1.00 0.00 C ATOM 1417 SD MET A 120 7.948 7.098 -1.741 1.00 0.00 S ATOM 1418 CE MET A 120 7.336 7.258 -0.035 1.00 0.00 C ATOM 0 H MET A 120 6.179 11.783 -3.586 1.00 0.00 H new ATOM 0 HA MET A 120 5.841 10.401 -0.996 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.296 10.292 -2.769 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.218 9.755 -1.103 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.041 8.453 -2.242 1.00 0.00 H new ATOM 0 HG3 MET A 120 7.196 8.457 -3.560 1.00 0.00 H new ATOM 0 HE1 MET A 120 7.885 6.576 0.614 1.00 0.00 H new ATOM 0 HE2 MET A 120 7.481 8.282 0.309 1.00 0.00 H new ATOM 0 HE3 MET A 120 6.274 7.012 -0.005 1.00 0.00 H new ATOM 1428 N SER A 121 6.906 12.388 0.076 1.00 0.00 N ATOM 1429 CA SER A 121 7.376 13.565 0.771 1.00 0.00 C ATOM 1430 C SER A 121 8.888 13.460 0.905 1.00 0.00 C ATOM 1431 O SER A 121 9.392 13.093 1.965 1.00 0.00 O ATOM 1432 CB SER A 121 6.672 13.632 2.126 1.00 0.00 C ATOM 1433 OG SER A 121 6.966 14.819 2.831 1.00 0.00 O ATOM 0 H SER A 121 6.489 11.698 0.701 1.00 0.00 H new ATOM 0 HA SER A 121 7.148 14.484 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.595 13.560 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.968 12.773 2.728 1.00 0.00 H new ATOM 0 HG SER A 121 6.492 14.816 3.689 1.00 0.00 H new