USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 835 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 19 LYS NZ :NH3+ -113:sc= 0.116 (180deg=0) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.146 X(o=-0.031,f=-0.31) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.0536 (180deg=-0.0963) USER MOD Single : A 3 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.138 F(o=-1.2!,f=-0.14) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.514 K(o=-0.51,f=-3.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.028) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-3.7!) USER MOD Single : A 63 CYS SG : rot 152:sc= 0.164 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -137:sc= 1.36 (180deg=-0.343) USER MOD Single : A 69 THR OG1 : rot -150:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 72 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -0.0308 (180deg=-0.278) USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.08) USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0191) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 106 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0791 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.207 -9.818 -2.855 1.00 0.00 N ATOM 2 CA ALA A 1 12.551 -8.825 -3.885 1.00 0.00 C ATOM 3 C ALA A 1 11.299 -8.403 -4.647 1.00 0.00 C ATOM 4 O ALA A 1 10.359 -9.192 -4.741 1.00 0.00 O ATOM 5 CB ALA A 1 13.605 -9.383 -4.847 1.00 0.00 C ATOM 0 H1 ALA A 1 12.451 -9.443 -1.916 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.187 -10.019 -2.893 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.739 -10.695 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 1 12.973 -7.948 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.844 -8.632 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.507 -9.639 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.215 -10.276 -5.336 1.00 0.00 H new ATOM 11 N LEU A 2 11.305 -7.186 -5.213 1.00 0.00 N ATOM 12 CA LEU A 2 10.219 -6.580 -5.998 1.00 0.00 C ATOM 13 C LEU A 2 9.461 -7.577 -6.880 1.00 0.00 C ATOM 14 O LEU A 2 9.971 -7.975 -7.934 1.00 0.00 O ATOM 15 CB LEU A 2 10.790 -5.485 -6.910 1.00 0.00 C ATOM 16 CG LEU A 2 11.151 -4.173 -6.209 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.022 -3.372 -7.180 1.00 0.00 C ATOM 18 CD2 LEU A 2 9.895 -3.386 -5.805 1.00 0.00 C ATOM 0 H LEU A 2 12.110 -6.566 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 2 9.514 -6.180 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.682 -5.873 -7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.063 -5.271 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 2 11.691 -4.372 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.304 -2.425 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.920 -3.942 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.463 -3.178 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.189 -2.460 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.311 -3.152 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.293 -3.987 -5.123 1.00 0.00 H new ATOM 30 N THR A 3 8.251 -7.953 -6.470 1.00 0.00 N ATOM 31 CA THR A 3 7.393 -8.884 -7.197 1.00 0.00 C ATOM 32 C THR A 3 5.927 -8.418 -7.093 1.00 0.00 C ATOM 33 O THR A 3 5.593 -7.631 -6.207 1.00 0.00 O ATOM 34 CB THR A 3 7.635 -10.299 -6.635 1.00 0.00 C ATOM 35 OG1 THR A 3 9.016 -10.626 -6.613 1.00 0.00 O ATOM 36 CG2 THR A 3 6.936 -11.359 -7.480 1.00 0.00 C ATOM 0 H THR A 3 7.832 -7.611 -5.605 1.00 0.00 H new ATOM 0 HA THR A 3 7.629 -8.909 -8.261 1.00 0.00 H new ATOM 0 HB THR A 3 7.234 -10.291 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.450 -10.162 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.126 -12.345 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.863 -11.169 -7.488 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.319 -11.322 -8.500 1.00 0.00 H new ATOM 44 N THR A 4 5.041 -8.881 -7.977 1.00 0.00 N ATOM 45 CA THR A 4 3.622 -8.521 -7.983 1.00 0.00 C ATOM 46 C THR A 4 2.803 -9.669 -7.368 1.00 0.00 C ATOM 47 O THR A 4 3.246 -10.821 -7.425 1.00 0.00 O ATOM 48 CB THR A 4 3.208 -8.232 -9.440 1.00 0.00 C ATOM 49 OG1 THR A 4 4.094 -7.306 -10.051 1.00 0.00 O ATOM 50 CG2 THR A 4 1.789 -7.675 -9.587 1.00 0.00 C ATOM 0 H THR A 4 5.295 -9.529 -8.723 1.00 0.00 H new ATOM 0 HA THR A 4 3.435 -7.630 -7.384 1.00 0.00 H new ATOM 0 HB THR A 4 3.248 -9.204 -9.931 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.810 -7.142 -10.974 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.575 -7.499 -10.641 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.073 -8.393 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.708 -6.737 -9.038 1.00 0.00 H new ATOM 58 N ILE A 5 1.645 -9.381 -6.758 1.00 0.00 N ATOM 59 CA ILE A 5 0.735 -10.364 -6.149 1.00 0.00 C ATOM 60 C ILE A 5 -0.711 -10.011 -6.541 1.00 0.00 C ATOM 61 O ILE A 5 -0.955 -8.946 -7.113 1.00 0.00 O ATOM 62 CB ILE A 5 0.941 -10.551 -4.618 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.261 -9.511 -3.702 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.424 -10.718 -4.235 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.682 -8.063 -3.945 1.00 0.00 C ATOM 0 H ILE A 5 1.303 -8.424 -6.671 1.00 0.00 H new ATOM 0 HA ILE A 5 0.974 -11.349 -6.549 1.00 0.00 H new ATOM 0 HB ILE A 5 0.411 -11.484 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.819 -9.586 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.476 -9.767 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.509 -10.845 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.833 -11.595 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.981 -9.832 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.151 -7.409 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.756 -7.965 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.440 -7.781 -4.970 1.00 0.00 H new ATOM 77 N SER A 6 -1.667 -10.913 -6.314 1.00 0.00 N ATOM 78 CA SER A 6 -3.081 -10.690 -6.634 1.00 0.00 C ATOM 79 C SER A 6 -3.726 -9.743 -5.598 1.00 0.00 C ATOM 80 O SER A 6 -3.200 -9.606 -4.490 1.00 0.00 O ATOM 81 CB SER A 6 -3.779 -12.055 -6.679 1.00 0.00 C ATOM 82 OG SER A 6 -3.108 -12.912 -7.589 1.00 0.00 O ATOM 0 H SER A 6 -1.482 -11.827 -5.900 1.00 0.00 H new ATOM 0 HA SER A 6 -3.184 -10.205 -7.605 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.788 -12.502 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.819 -11.931 -6.982 1.00 0.00 H new ATOM 0 HG SER A 6 -3.558 -13.782 -7.611 1.00 0.00 H new ATOM 88 N PRO A 7 -4.885 -9.125 -5.888 1.00 0.00 N ATOM 89 CA PRO A 7 -5.529 -8.205 -4.956 1.00 0.00 C ATOM 90 C PRO A 7 -5.927 -8.845 -3.620 1.00 0.00 C ATOM 91 O PRO A 7 -5.642 -8.271 -2.566 1.00 0.00 O ATOM 92 CB PRO A 7 -6.720 -7.604 -5.715 1.00 0.00 C ATOM 93 CG PRO A 7 -7.015 -8.624 -6.810 1.00 0.00 C ATOM 94 CD PRO A 7 -5.634 -9.183 -7.137 1.00 0.00 C ATOM 0 HA PRO A 7 -4.827 -7.430 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.580 -7.462 -5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.474 -6.628 -6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.694 -9.403 -6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.479 -8.160 -7.680 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.702 -10.206 -7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.147 -8.595 -7.915 1.00 0.00 H new ATOM 102 N HIS A 8 -6.591 -10.005 -3.634 1.00 0.00 N ATOM 103 CA HIS A 8 -7.030 -10.678 -2.410 1.00 0.00 C ATOM 104 C HIS A 8 -5.848 -11.260 -1.612 1.00 0.00 C ATOM 105 O HIS A 8 -5.926 -11.364 -0.380 1.00 0.00 O ATOM 106 CB HIS A 8 -8.062 -11.748 -2.810 1.00 0.00 C ATOM 107 CG HIS A 8 -8.944 -12.278 -1.710 1.00 0.00 C ATOM 108 ND1 HIS A 8 -8.512 -12.934 -0.589 1.00 0.00 N ATOM 109 CD2 HIS A 8 -10.304 -12.149 -1.613 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.564 -13.142 0.211 1.00 0.00 C ATOM 111 NE2 HIS A 8 -10.684 -12.671 -0.366 1.00 0.00 N ATOM 0 H HIS A 8 -6.838 -10.501 -4.490 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.494 -9.960 -1.734 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.701 -11.331 -3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.527 -12.588 -3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.962 -11.725 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.520 -13.619 1.179 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -11.626 -12.689 0.026 1.00 0.00 H new ATOM 119 N ASP A 9 -4.755 -11.605 -2.304 1.00 0.00 N ATOM 120 CA ASP A 9 -3.535 -12.181 -1.738 1.00 0.00 C ATOM 121 C ASP A 9 -2.861 -11.203 -0.787 1.00 0.00 C ATOM 122 O ASP A 9 -2.437 -11.589 0.297 1.00 0.00 O ATOM 123 CB ASP A 9 -2.522 -12.535 -2.846 1.00 0.00 C ATOM 124 CG ASP A 9 -2.515 -14.007 -3.240 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.563 -14.725 -2.838 1.00 0.00 O ATOM 126 OD2 ASP A 9 -3.370 -14.412 -4.053 1.00 0.00 O ATOM 0 H ASP A 9 -4.697 -11.484 -3.315 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.832 -13.082 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.742 -11.935 -3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.523 -12.255 -2.512 1.00 0.00 H new ATOM 131 N ALA A 10 -2.769 -9.928 -1.174 1.00 0.00 N ATOM 132 CA ALA A 10 -2.128 -8.893 -0.376 1.00 0.00 C ATOM 133 C ALA A 10 -2.632 -8.844 1.058 1.00 0.00 C ATOM 134 O ALA A 10 -1.821 -8.882 1.982 1.00 0.00 O ATOM 135 CB ALA A 10 -2.328 -7.549 -1.049 1.00 0.00 C ATOM 0 H ALA A 10 -3.143 -9.587 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.067 -9.137 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.850 -6.770 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.884 -7.571 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.394 -7.339 -1.132 1.00 0.00 H new ATOM 141 N GLN A 11 -3.951 -8.753 1.246 1.00 0.00 N ATOM 142 CA GLN A 11 -4.564 -8.696 2.560 1.00 0.00 C ATOM 143 C GLN A 11 -4.137 -9.881 3.400 1.00 0.00 C ATOM 144 O GLN A 11 -3.833 -9.720 4.577 1.00 0.00 O ATOM 145 CB GLN A 11 -6.073 -8.659 2.395 1.00 0.00 C ATOM 146 CG GLN A 11 -6.758 -8.049 3.634 1.00 0.00 C ATOM 147 CD GLN A 11 -7.522 -8.995 4.563 1.00 0.00 C ATOM 148 OE1 GLN A 11 -7.394 -10.290 4.382 1.00 0.00 O flip ATOM 149 NE2 GLN A 11 -8.267 -8.558 5.439 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.622 -8.717 0.479 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.237 -7.795 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.330 -8.076 1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.448 -9.669 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.994 -7.544 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.453 -7.283 3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.361 -7.551 5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.791 -9.202 6.031 1.00 0.00 H new ATOM 158 N GLU A 12 -4.133 -11.058 2.786 1.00 0.00 N ATOM 159 CA GLU A 12 -3.726 -12.287 3.436 1.00 0.00 C ATOM 160 C GLU A 12 -2.284 -12.157 3.901 1.00 0.00 C ATOM 161 O GLU A 12 -1.979 -12.573 5.009 1.00 0.00 O ATOM 162 CB GLU A 12 -3.895 -13.488 2.497 1.00 0.00 C ATOM 163 CG GLU A 12 -3.927 -14.800 3.278 1.00 0.00 C ATOM 164 CD GLU A 12 -4.292 -15.966 2.364 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.523 -16.271 1.427 1.00 0.00 O ATOM 166 OE2 GLU A 12 -5.385 -16.551 2.543 1.00 0.00 O ATOM 0 H GLU A 12 -4.416 -11.182 1.814 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.365 -12.460 4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.817 -13.379 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.076 -13.509 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.954 -14.981 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.651 -14.728 4.090 1.00 0.00 H new ATOM 173 N LEU A 13 -1.388 -11.574 3.103 1.00 0.00 N ATOM 174 CA LEU A 13 0.004 -11.433 3.493 1.00 0.00 C ATOM 175 C LEU A 13 0.067 -10.515 4.702 1.00 0.00 C ATOM 176 O LEU A 13 0.717 -10.849 5.685 1.00 0.00 O ATOM 177 CB LEU A 13 0.856 -10.912 2.325 1.00 0.00 C ATOM 178 CG LEU A 13 0.928 -11.877 1.124 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.671 -11.196 -0.032 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.594 -13.206 1.497 1.00 0.00 C ATOM 0 H LEU A 13 -1.608 -11.193 2.183 1.00 0.00 H new ATOM 0 HA LEU A 13 0.420 -12.404 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.449 -9.959 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.867 -10.718 2.684 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.089 -12.113 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.723 -11.876 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.138 -10.291 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.680 -10.936 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.624 -13.856 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.610 -13.019 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.022 -13.690 2.289 1.00 0.00 H new ATOM 192 N ILE A 14 -0.628 -9.377 4.663 1.00 0.00 N ATOM 193 CA ILE A 14 -0.656 -8.411 5.760 1.00 0.00 C ATOM 194 C ILE A 14 -1.175 -9.101 7.025 1.00 0.00 C ATOM 195 O ILE A 14 -0.578 -8.952 8.095 1.00 0.00 O ATOM 196 CB ILE A 14 -1.446 -7.157 5.335 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.784 -6.458 4.126 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.511 -6.121 6.461 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.818 -5.862 3.172 1.00 0.00 C ATOM 0 H ILE A 14 -1.193 -9.098 3.861 1.00 0.00 H new ATOM 0 HA ILE A 14 0.345 -8.053 6.001 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.446 -7.508 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.122 -5.669 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.165 -7.175 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.076 -5.252 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.003 -6.558 7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.501 -5.814 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.308 -5.381 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.464 -6.655 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.420 -5.125 3.703 1.00 0.00 H new ATOM 211 N ALA A 15 -2.237 -9.899 6.901 1.00 0.00 N ATOM 212 CA ALA A 15 -2.825 -10.627 8.008 1.00 0.00 C ATOM 213 C ALA A 15 -1.840 -11.673 8.546 1.00 0.00 C ATOM 214 O ALA A 15 -1.746 -11.846 9.764 1.00 0.00 O ATOM 215 CB ALA A 15 -4.143 -11.264 7.573 1.00 0.00 C ATOM 0 H ALA A 15 -2.714 -10.055 6.013 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.040 -9.933 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.578 -11.809 8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.834 -10.486 7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.960 -11.953 6.748 1.00 0.00 H new ATOM 221 N ARG A 16 -1.103 -12.361 7.662 1.00 0.00 N ATOM 222 CA ARG A 16 -0.101 -13.377 8.001 1.00 0.00 C ATOM 223 C ARG A 16 1.103 -12.749 8.701 1.00 0.00 C ATOM 224 O ARG A 16 1.799 -13.458 9.430 1.00 0.00 O ATOM 225 CB ARG A 16 0.365 -14.132 6.743 1.00 0.00 C ATOM 226 CG ARG A 16 -0.686 -15.113 6.210 1.00 0.00 C ATOM 227 CD ARG A 16 -0.206 -15.684 4.870 1.00 0.00 C ATOM 228 NE ARG A 16 -1.013 -16.834 4.440 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.072 -17.360 3.213 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.248 -16.966 2.251 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.973 -18.300 2.970 1.00 0.00 N ATOM 0 H ARG A 16 -1.193 -12.219 6.656 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.572 -14.085 8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.610 -13.411 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.281 -14.678 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.846 -15.919 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.642 -14.606 6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.249 -14.906 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.838 -15.986 4.958 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.590 -17.278 5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.450 -16.247 2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.312 -17.382 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.602 -18.607 3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.037 -18.717 2.041 1.00 0.00 H new ATOM 245 N GLY A 17 1.348 -11.453 8.495 1.00 0.00 N ATOM 246 CA GLY A 17 2.450 -10.730 9.121 1.00 0.00 C ATOM 247 C GLY A 17 3.083 -9.617 8.286 1.00 0.00 C ATOM 248 O GLY A 17 4.006 -8.965 8.774 1.00 0.00 O ATOM 0 H GLY A 17 0.778 -10.872 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.090 -10.297 10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.227 -11.448 9.382 1.00 0.00 H new ATOM 252 N ALA A 18 2.653 -9.389 7.045 1.00 0.00 N ATOM 253 CA ALA A 18 3.197 -8.346 6.182 1.00 0.00 C ATOM 254 C ALA A 18 2.657 -6.959 6.589 1.00 0.00 C ATOM 255 O ALA A 18 1.985 -6.797 7.613 1.00 0.00 O ATOM 256 CB ALA A 18 2.923 -8.693 4.704 1.00 0.00 C ATOM 0 H ALA A 18 1.908 -9.931 6.608 1.00 0.00 H new ATOM 0 HA ALA A 18 4.279 -8.297 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.332 -7.910 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.396 -9.644 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.848 -8.770 4.542 1.00 0.00 H new ATOM 262 N LYS A 19 2.941 -5.925 5.795 1.00 0.00 N ATOM 263 CA LYS A 19 2.500 -4.542 6.015 1.00 0.00 C ATOM 264 C LYS A 19 1.994 -3.931 4.718 1.00 0.00 C ATOM 265 O LYS A 19 2.279 -4.453 3.643 1.00 0.00 O ATOM 266 CB LYS A 19 3.659 -3.692 6.567 1.00 0.00 C ATOM 267 CG LYS A 19 3.848 -3.746 8.094 1.00 0.00 C ATOM 268 CD LYS A 19 2.643 -3.294 8.936 1.00 0.00 C ATOM 269 CE LYS A 19 2.781 -3.669 10.421 1.00 0.00 C ATOM 270 NZ LYS A 19 2.591 -5.118 10.701 1.00 0.00 N ATOM 0 H LYS A 19 3.504 -6.029 4.951 1.00 0.00 H new ATOM 0 HA LYS A 19 1.688 -4.556 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.584 -4.017 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.498 -2.654 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.099 -4.769 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.704 -3.125 8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.528 -2.214 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.735 -3.745 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.769 -3.369 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.052 -3.100 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.722 -5.253 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.513 -5.638 9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.405 -5.477 11.239 1.00 0.00 H new ATOM 284 N LEU A 20 1.290 -2.802 4.813 1.00 0.00 N ATOM 285 CA LEU A 20 0.729 -2.097 3.673 1.00 0.00 C ATOM 286 C LEU A 20 1.116 -0.634 3.750 1.00 0.00 C ATOM 287 O LEU A 20 0.750 0.047 4.711 1.00 0.00 O ATOM 288 CB LEU A 20 -0.789 -2.271 3.680 1.00 0.00 C ATOM 289 CG LEU A 20 -1.486 -1.753 2.413 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.850 -2.262 1.117 1.00 0.00 C ATOM 291 CD2 LEU A 20 -2.945 -2.211 2.442 1.00 0.00 C ATOM 0 H LEU A 20 1.093 -2.348 5.705 1.00 0.00 H new ATOM 0 HA LEU A 20 1.120 -2.504 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.022 -3.329 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.199 -1.751 4.546 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.391 -0.667 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.392 -1.857 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.191 -1.941 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.895 -3.351 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.457 -1.852 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.984 -3.300 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.435 -1.808 3.328 1.00 0.00 H new ATOM 303 N ILE A 21 1.885 -0.176 2.764 1.00 0.00 N ATOM 304 CA ILE A 21 2.371 1.185 2.658 1.00 0.00 C ATOM 305 C ILE A 21 1.654 1.823 1.471 1.00 0.00 C ATOM 306 O ILE A 21 1.842 1.458 0.306 1.00 0.00 O ATOM 307 CB ILE A 21 3.925 1.183 2.628 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.600 0.989 4.006 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.506 2.492 2.082 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.163 -0.231 4.815 1.00 0.00 C ATOM 0 H ILE A 21 2.194 -0.769 1.993 1.00 0.00 H new ATOM 0 HA ILE A 21 2.139 1.808 3.521 1.00 0.00 H new ATOM 0 HB ILE A 21 4.140 0.332 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.677 0.928 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.414 1.880 4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.595 2.436 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.152 2.650 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.185 3.323 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.707 -0.255 5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.093 -0.171 5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.377 -1.138 4.250 1.00 0.00 H new ATOM 322 N ASP A 22 0.761 2.755 1.797 1.00 0.00 N ATOM 323 CA ASP A 22 -0.044 3.499 0.845 1.00 0.00 C ATOM 324 C ASP A 22 0.818 4.617 0.273 1.00 0.00 C ATOM 325 O ASP A 22 1.093 5.600 0.970 1.00 0.00 O ATOM 326 CB ASP A 22 -1.287 4.126 1.498 1.00 0.00 C ATOM 327 CG ASP A 22 -2.001 3.232 2.489 1.00 0.00 C ATOM 328 OD1 ASP A 22 -1.656 3.348 3.685 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.911 2.486 2.067 1.00 0.00 O ATOM 0 H ASP A 22 0.576 3.018 2.765 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.386 2.810 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.990 5.044 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.989 4.409 0.714 1.00 0.00 H new ATOM 334 N ILE A 23 1.212 4.508 -0.997 1.00 0.00 N ATOM 335 CA ILE A 23 2.044 5.508 -1.670 1.00 0.00 C ATOM 336 C ILE A 23 1.255 6.269 -2.745 1.00 0.00 C ATOM 337 O ILE A 23 1.850 6.741 -3.713 1.00 0.00 O ATOM 338 CB ILE A 23 3.367 4.892 -2.185 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.152 3.899 -3.343 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.118 4.150 -1.068 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.475 3.494 -3.991 1.00 0.00 C ATOM 0 H ILE A 23 0.961 3.718 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 23 2.335 6.258 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 23 3.954 5.738 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.642 3.011 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.502 4.349 -4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.042 3.731 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.353 4.846 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.492 3.346 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.283 2.793 -4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.973 4.380 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.115 3.020 -3.247 1.00 0.00 H new ATOM 353 N ARG A 24 -0.082 6.333 -2.658 1.00 0.00 N ATOM 354 CA ARG A 24 -0.878 7.057 -3.649 1.00 0.00 C ATOM 355 C ARG A 24 -0.610 8.541 -3.399 1.00 0.00 C ATOM 356 O ARG A 24 0.296 9.108 -4.007 1.00 0.00 O ATOM 357 CB ARG A 24 -2.371 6.658 -3.650 1.00 0.00 C ATOM 358 CG ARG A 24 -2.679 5.195 -3.269 1.00 0.00 C ATOM 359 CD ARG A 24 -3.203 5.070 -1.838 1.00 0.00 C ATOM 360 NE ARG A 24 -4.547 5.658 -1.746 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.281 5.808 -0.637 1.00 0.00 C ATOM 362 NH1 ARG A 24 -4.718 5.737 0.562 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.582 6.035 -0.761 1.00 0.00 N ATOM 0 H ARG A 24 -0.628 5.894 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.580 6.794 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.902 7.312 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.777 6.847 -4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.416 4.788 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.775 4.595 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.234 4.021 -1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.527 5.575 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.963 5.986 -2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.716 5.567 0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.287 5.853 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.004 6.092 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.161 6.152 0.071 1.00 0.00 H new ATOM 377 N ASP A 25 -1.332 9.174 -2.484 1.00 0.00 N ATOM 378 CA ASP A 25 -1.186 10.571 -2.101 1.00 0.00 C ATOM 379 C ASP A 25 -1.907 10.705 -0.765 1.00 0.00 C ATOM 380 O ASP A 25 -2.882 9.990 -0.499 1.00 0.00 O ATOM 381 CB ASP A 25 -1.809 11.530 -3.134 1.00 0.00 C ATOM 382 CG ASP A 25 -0.851 11.917 -4.267 1.00 0.00 C ATOM 383 OD1 ASP A 25 0.290 12.351 -3.998 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.239 11.840 -5.454 1.00 0.00 O ATOM 0 H ASP A 25 -2.072 8.703 -1.963 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.131 10.840 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.696 11.063 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.140 12.435 -2.624 1.00 0.00 H new ATOM 389 N ALA A 26 -1.438 11.610 0.089 1.00 0.00 N ATOM 390 CA ALA A 26 -2.031 11.863 1.398 1.00 0.00 C ATOM 391 C ALA A 26 -3.470 12.373 1.255 1.00 0.00 C ATOM 392 O ALA A 26 -4.323 12.070 2.090 1.00 0.00 O ATOM 393 CB ALA A 26 -1.175 12.898 2.127 1.00 0.00 C ATOM 0 H ALA A 26 -0.626 12.195 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.062 10.934 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.604 13.099 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.162 12.514 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.147 13.821 1.547 1.00 0.00 H new ATOM 399 N ASP A 27 -3.749 13.108 0.177 1.00 0.00 N ATOM 400 CA ASP A 27 -5.061 13.678 -0.114 1.00 0.00 C ATOM 401 C ASP A 27 -6.097 12.586 -0.372 1.00 0.00 C ATOM 402 O ASP A 27 -7.290 12.842 -0.213 1.00 0.00 O ATOM 403 CB ASP A 27 -4.988 14.627 -1.315 1.00 0.00 C ATOM 404 CG ASP A 27 -4.106 15.830 -1.014 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.627 16.930 -0.714 1.00 0.00 O ATOM 406 OD2 ASP A 27 -2.864 15.686 -1.098 1.00 0.00 O ATOM 0 H ASP A 27 -3.051 13.327 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.373 14.244 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.596 14.093 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.991 14.965 -1.576 1.00 0.00 H new ATOM 411 N GLU A 28 -5.685 11.384 -0.787 1.00 0.00 N ATOM 412 CA GLU A 28 -6.605 10.282 -1.020 1.00 0.00 C ATOM 413 C GLU A 28 -6.922 9.620 0.318 1.00 0.00 C ATOM 414 O GLU A 28 -8.076 9.264 0.546 1.00 0.00 O ATOM 415 CB GLU A 28 -5.992 9.289 -2.006 1.00 0.00 C ATOM 416 CG GLU A 28 -6.015 9.856 -3.425 1.00 0.00 C ATOM 417 CD GLU A 28 -7.420 9.746 -4.036 1.00 0.00 C ATOM 418 OE1 GLU A 28 -8.237 10.678 -3.835 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.722 8.686 -4.645 1.00 0.00 O ATOM 0 H GLU A 28 -4.708 11.155 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.533 10.648 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.966 9.065 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.544 8.350 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.702 10.900 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.300 9.318 -4.048 1.00 0.00 H new ATOM 426 N TYR A 29 -5.927 9.488 1.212 1.00 0.00 N ATOM 427 CA TYR A 29 -6.115 8.892 2.536 1.00 0.00 C ATOM 428 C TYR A 29 -7.222 9.653 3.283 1.00 0.00 C ATOM 429 O TYR A 29 -8.015 9.052 4.014 1.00 0.00 O ATOM 430 CB TYR A 29 -4.784 8.862 3.323 1.00 0.00 C ATOM 431 CG TYR A 29 -4.951 8.538 4.800 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.324 9.532 5.729 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.716 7.233 5.254 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.524 9.203 7.083 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.923 6.896 6.601 1.00 0.00 C ATOM 436 CZ TYR A 29 -5.343 7.872 7.527 1.00 0.00 C ATOM 437 OH TYR A 29 -5.595 7.531 8.825 1.00 0.00 O ATOM 0 H TYR A 29 -4.971 9.793 1.032 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.431 7.854 2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.122 8.123 2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.294 9.831 3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.457 10.552 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.372 6.479 4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.817 9.969 7.785 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.759 5.881 6.930 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.418 6.576 8.952 1.00 0.00 H new ATOM 447 N LEU A 30 -7.287 10.976 3.071 1.00 0.00 N ATOM 448 CA LEU A 30 -8.277 11.867 3.666 1.00 0.00 C ATOM 449 C LEU A 30 -9.698 11.431 3.296 1.00 0.00 C ATOM 450 O LEU A 30 -10.601 11.595 4.117 1.00 0.00 O ATOM 451 CB LEU A 30 -8.069 13.316 3.170 1.00 0.00 C ATOM 452 CG LEU A 30 -7.429 14.270 4.188 1.00 0.00 C ATOM 453 CD1 LEU A 30 -5.959 13.924 4.413 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.516 15.715 3.690 1.00 0.00 C ATOM 0 H LEU A 30 -6.630 11.463 2.462 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.149 11.820 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.445 13.291 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.035 13.723 2.872 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.974 14.163 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.529 14.615 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.879 12.905 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.418 14.005 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.058 16.380 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.990 15.805 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.562 15.990 3.553 1.00 0.00 H new ATOM 466 N ARG A 31 -9.923 10.962 2.064 1.00 0.00 N ATOM 467 CA ARG A 31 -11.238 10.526 1.611 1.00 0.00 C ATOM 468 C ARG A 31 -11.521 9.109 2.049 1.00 0.00 C ATOM 469 O ARG A 31 -12.572 8.849 2.637 1.00 0.00 O ATOM 470 CB ARG A 31 -11.347 10.610 0.081 1.00 0.00 C ATOM 471 CG ARG A 31 -11.449 12.068 -0.374 1.00 0.00 C ATOM 472 CD ARG A 31 -12.373 12.190 -1.596 1.00 0.00 C ATOM 473 NE ARG A 31 -12.811 13.574 -1.814 1.00 0.00 N ATOM 474 CZ ARG A 31 -13.724 14.244 -1.100 1.00 0.00 C ATOM 475 NH1 ARG A 31 -14.380 13.664 -0.097 1.00 0.00 N ATOM 476 NH2 ARG A 31 -13.984 15.511 -1.384 1.00 0.00 N ATOM 0 H ARG A 31 -9.194 10.876 1.356 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.973 11.193 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.476 10.141 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.223 10.056 -0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.831 12.683 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.458 12.448 -0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.852 11.830 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.245 11.551 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.376 14.076 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.191 12.690 0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.072 14.193 0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.489 15.975 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.679 16.023 -0.841 1.00 0.00 H new ATOM 490 N GLU A 32 -10.627 8.188 1.717 1.00 0.00 N ATOM 491 CA GLU A 32 -10.762 6.782 2.046 1.00 0.00 C ATOM 492 C GLU A 32 -9.384 6.133 2.079 1.00 0.00 C ATOM 493 O GLU A 32 -8.526 6.405 1.236 1.00 0.00 O ATOM 494 CB GLU A 32 -11.699 6.094 1.037 1.00 0.00 C ATOM 495 CG GLU A 32 -11.375 6.287 -0.457 1.00 0.00 C ATOM 496 CD GLU A 32 -12.582 5.909 -1.316 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.396 6.785 -1.699 1.00 0.00 O ATOM 498 OE2 GLU A 32 -12.801 4.702 -1.538 1.00 0.00 O ATOM 0 H GLU A 32 -9.773 8.404 1.202 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.208 6.671 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.700 5.025 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.712 6.455 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.097 7.324 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.518 5.673 -0.732 1.00 0.00 H new ATOM 505 N HIS A 33 -9.174 5.256 3.054 1.00 0.00 N ATOM 506 CA HIS A 33 -7.931 4.531 3.253 1.00 0.00 C ATOM 507 C HIS A 33 -8.231 3.109 3.712 1.00 0.00 C ATOM 508 O HIS A 33 -9.397 2.739 3.897 1.00 0.00 O ATOM 509 CB HIS A 33 -7.027 5.288 4.230 1.00 0.00 C ATOM 510 CG HIS A 33 -7.647 5.599 5.567 1.00 0.00 C ATOM 511 ND1 HIS A 33 -8.274 6.780 5.895 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.612 4.810 6.687 1.00 0.00 C ATOM 513 CE1 HIS A 33 -8.637 6.689 7.185 1.00 0.00 C ATOM 514 NE2 HIS A 33 -8.286 5.498 7.706 1.00 0.00 N ATOM 0 H HIS A 33 -9.887 5.025 3.746 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.388 4.460 2.311 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.124 4.700 4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.718 6.224 3.764 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.433 7.574 5.275 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.150 3.837 6.770 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.144 7.469 7.733 1.00 0.00 H new ATOM 522 N ILE A 34 -7.184 2.319 3.907 1.00 0.00 N ATOM 523 CA ILE A 34 -7.263 0.931 4.318 1.00 0.00 C ATOM 524 C ILE A 34 -6.911 0.864 5.806 1.00 0.00 C ATOM 525 O ILE A 34 -5.960 1.504 6.247 1.00 0.00 O ATOM 526 CB ILE A 34 -6.336 0.103 3.406 1.00 0.00 C ATOM 527 CG1 ILE A 34 -6.920 0.156 1.977 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.231 -1.361 3.864 1.00 0.00 C ATOM 529 CD1 ILE A 34 -5.926 -0.166 0.867 1.00 0.00 C ATOM 0 H ILE A 34 -6.225 2.642 3.778 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.261 0.507 4.209 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.331 0.523 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.753 -0.544 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.327 1.152 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.568 -1.906 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.831 -1.397 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.220 -1.819 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.427 -0.104 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.104 0.549 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.536 -1.174 1.009 1.00 0.00 H new ATOM 541 N PRO A 35 -7.660 0.085 6.597 1.00 0.00 N ATOM 542 CA PRO A 35 -7.426 -0.040 8.031 1.00 0.00 C ATOM 543 C PRO A 35 -6.108 -0.749 8.366 1.00 0.00 C ATOM 544 O PRO A 35 -5.433 -0.396 9.332 1.00 0.00 O ATOM 545 CB PRO A 35 -8.633 -0.826 8.534 1.00 0.00 C ATOM 546 CG PRO A 35 -9.099 -1.645 7.333 1.00 0.00 C ATOM 547 CD PRO A 35 -8.798 -0.715 6.174 1.00 0.00 C ATOM 0 HA PRO A 35 -7.325 0.935 8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.364 -1.471 9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.420 -0.159 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.559 -2.588 7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.159 -1.890 7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.566 -1.278 5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.657 -0.084 5.945 1.00 0.00 H new ATOM 555 N GLU A 36 -5.718 -1.729 7.552 1.00 0.00 N ATOM 556 CA GLU A 36 -4.502 -2.518 7.713 1.00 0.00 C ATOM 557 C GLU A 36 -3.234 -1.789 7.247 1.00 0.00 C ATOM 558 O GLU A 36 -2.150 -2.375 7.281 1.00 0.00 O ATOM 559 CB GLU A 36 -4.661 -3.835 6.949 1.00 0.00 C ATOM 560 CG GLU A 36 -5.808 -4.657 7.532 1.00 0.00 C ATOM 561 CD GLU A 36 -5.631 -4.993 9.014 1.00 0.00 C ATOM 562 OE1 GLU A 36 -4.537 -5.429 9.441 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.611 -4.805 9.769 1.00 0.00 O ATOM 0 H GLU A 36 -6.261 -2.004 6.733 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.372 -2.700 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.851 -3.630 5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.734 -4.406 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.740 -4.107 7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.903 -5.584 6.967 1.00 0.00 H new ATOM 570 N ALA A 37 -3.357 -0.547 6.769 1.00 0.00 N ATOM 571 CA ALA A 37 -2.234 0.237 6.287 1.00 0.00 C ATOM 572 C ALA A 37 -1.844 1.327 7.279 1.00 0.00 C ATOM 573 O ALA A 37 -2.585 1.618 8.222 1.00 0.00 O ATOM 574 CB ALA A 37 -2.562 0.766 4.900 1.00 0.00 C ATOM 0 H ALA A 37 -4.251 -0.060 6.709 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.349 -0.394 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.725 1.357 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.744 -0.070 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.453 1.392 4.951 1.00 0.00 H new ATOM 580 N ASP A 38 -0.708 1.980 7.037 1.00 0.00 N ATOM 581 CA ASP A 38 -0.176 3.029 7.942 1.00 0.00 C ATOM 582 C ASP A 38 -0.021 4.429 7.358 1.00 0.00 C ATOM 583 O ASP A 38 0.147 5.394 8.102 1.00 0.00 O ATOM 584 CB ASP A 38 1.211 2.578 8.364 1.00 0.00 C ATOM 585 CG ASP A 38 1.580 2.940 9.805 1.00 0.00 C ATOM 586 OD1 ASP A 38 1.271 2.142 10.718 1.00 0.00 O ATOM 587 OD2 ASP A 38 2.276 3.957 10.020 1.00 0.00 O ATOM 0 H ASP A 38 -0.125 1.807 6.218 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.911 3.125 8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.281 1.497 8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.945 3.021 7.691 1.00 0.00 H new ATOM 592 N LEU A 39 -0.084 4.502 6.032 1.00 0.00 N ATOM 593 CA LEU A 39 0.031 5.632 5.097 1.00 0.00 C ATOM 594 C LEU A 39 1.458 6.166 5.032 1.00 0.00 C ATOM 595 O LEU A 39 2.124 6.318 6.061 1.00 0.00 O ATOM 596 CB LEU A 39 -0.961 6.755 5.433 1.00 0.00 C ATOM 597 CG LEU A 39 -0.673 8.119 4.754 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.956 8.058 3.251 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.476 9.254 5.381 1.00 0.00 C ATOM 0 H LEU A 39 -0.240 3.643 5.505 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.227 5.251 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.962 6.430 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.968 6.900 6.513 1.00 0.00 H new ATOM 0 HG LEU A 39 0.386 8.326 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.745 9.028 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.322 7.300 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.003 7.802 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.241 10.189 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.541 9.044 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.220 9.341 6.437 1.00 0.00 H new ATOM 611 N ALA A 40 1.948 6.417 3.814 1.00 0.00 N ATOM 612 CA ALA A 40 3.285 6.960 3.585 1.00 0.00 C ATOM 613 C ALA A 40 3.426 7.491 2.145 1.00 0.00 C ATOM 614 O ALA A 40 3.859 6.748 1.268 1.00 0.00 O ATOM 615 CB ALA A 40 4.390 5.950 3.950 1.00 0.00 C ATOM 0 H ALA A 40 1.423 6.247 2.956 1.00 0.00 H new ATOM 0 HA ALA A 40 3.417 7.808 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.367 6.396 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.307 5.685 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.279 5.053 3.341 1.00 0.00 H new ATOM 621 N PRO A 41 3.033 8.742 1.847 1.00 0.00 N ATOM 622 CA PRO A 41 3.167 9.284 0.498 1.00 0.00 C ATOM 623 C PRO A 41 4.645 9.407 0.129 1.00 0.00 C ATOM 624 O PRO A 41 5.488 9.696 0.986 1.00 0.00 O ATOM 625 CB PRO A 41 2.475 10.647 0.522 1.00 0.00 C ATOM 626 CG PRO A 41 2.510 11.053 1.993 1.00 0.00 C ATOM 627 CD PRO A 41 2.499 9.735 2.763 1.00 0.00 C ATOM 0 HA PRO A 41 2.712 8.638 -0.253 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.997 11.371 -0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.452 10.582 0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.402 11.637 2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.650 11.670 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.107 9.803 3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.489 9.474 3.079 1.00 0.00 H new ATOM 635 N LEU A 42 4.959 9.252 -1.161 1.00 0.00 N ATOM 636 CA LEU A 42 6.335 9.337 -1.642 1.00 0.00 C ATOM 637 C LEU A 42 6.943 10.688 -1.261 1.00 0.00 C ATOM 638 O LEU A 42 8.098 10.739 -0.859 1.00 0.00 O ATOM 639 CB LEU A 42 6.430 9.106 -3.163 1.00 0.00 C ATOM 640 CG LEU A 42 7.655 8.303 -3.665 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.905 8.290 -2.783 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.252 6.843 -3.864 1.00 0.00 C ATOM 0 H LEU A 42 4.272 9.066 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 42 6.904 8.542 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.527 8.588 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.434 10.078 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 42 7.936 8.830 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.680 7.690 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.266 9.310 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.660 7.861 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.111 6.273 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.907 6.429 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.450 6.784 -4.600 1.00 0.00 H new ATOM 654 N SER A 43 6.160 11.769 -1.299 1.00 0.00 N ATOM 655 CA SER A 43 6.616 13.114 -0.955 1.00 0.00 C ATOM 656 C SER A 43 7.135 13.243 0.486 1.00 0.00 C ATOM 657 O SER A 43 7.826 14.210 0.795 1.00 0.00 O ATOM 658 CB SER A 43 5.498 14.107 -1.286 1.00 0.00 C ATOM 659 OG SER A 43 5.098 13.894 -2.634 1.00 0.00 O ATOM 0 H SER A 43 5.178 11.732 -1.574 1.00 0.00 H new ATOM 0 HA SER A 43 7.492 13.348 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.653 13.966 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.847 15.131 -1.150 1.00 0.00 H new ATOM 0 HG SER A 43 4.380 14.520 -2.865 1.00 0.00 H new ATOM 665 N VAL A 44 6.826 12.292 1.369 1.00 0.00 N ATOM 666 CA VAL A 44 7.284 12.271 2.755 1.00 0.00 C ATOM 667 C VAL A 44 8.488 11.316 2.822 1.00 0.00 C ATOM 668 O VAL A 44 9.489 11.618 3.479 1.00 0.00 O ATOM 669 CB VAL A 44 6.093 11.900 3.661 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.484 11.565 5.100 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.110 13.081 3.707 1.00 0.00 C ATOM 0 H VAL A 44 6.235 11.495 1.132 1.00 0.00 H new ATOM 0 HA VAL A 44 7.631 13.238 3.118 1.00 0.00 H new ATOM 0 HB VAL A 44 5.652 11.004 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.590 11.315 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.166 10.715 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.975 12.426 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.265 12.826 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.616 13.960 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.752 13.296 2.700 1.00 0.00 H new ATOM 681 N LEU A 45 8.430 10.186 2.105 1.00 0.00 N ATOM 682 CA LEU A 45 9.506 9.198 2.059 1.00 0.00 C ATOM 683 C LEU A 45 10.764 9.838 1.487 1.00 0.00 C ATOM 684 O LEU A 45 11.836 9.723 2.076 1.00 0.00 O ATOM 685 CB LEU A 45 9.097 7.986 1.204 1.00 0.00 C ATOM 686 CG LEU A 45 8.460 6.847 2.005 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.390 6.333 3.102 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.146 7.216 2.647 1.00 0.00 C ATOM 0 H LEU A 45 7.623 9.933 1.535 1.00 0.00 H new ATOM 0 HA LEU A 45 9.704 8.850 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.395 8.315 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.978 7.605 0.687 1.00 0.00 H new ATOM 0 HG LEU A 45 8.276 6.069 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.900 5.526 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.311 5.961 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.624 7.145 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.756 6.359 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.298 8.049 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.433 7.507 1.875 1.00 0.00 H new ATOM 700 N GLU A 46 10.630 10.540 0.365 1.00 0.00 N ATOM 701 CA GLU A 46 11.704 11.241 -0.322 1.00 0.00 C ATOM 702 C GLU A 46 12.391 12.254 0.600 1.00 0.00 C ATOM 703 O GLU A 46 13.544 12.613 0.342 1.00 0.00 O ATOM 704 CB GLU A 46 11.142 11.990 -1.545 1.00 0.00 C ATOM 705 CG GLU A 46 11.123 11.148 -2.830 1.00 0.00 C ATOM 706 CD GLU A 46 12.051 11.729 -3.897 1.00 0.00 C ATOM 707 OE1 GLU A 46 13.293 11.591 -3.784 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.535 12.332 -4.867 1.00 0.00 O ATOM 0 H GLU A 46 9.732 10.638 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 46 12.436 10.497 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.127 12.321 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.739 12.886 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.426 10.126 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.106 11.099 -3.219 1.00 0.00 H new ATOM 715 N GLN A 47 11.706 12.756 1.632 1.00 0.00 N ATOM 716 CA GLN A 47 12.242 13.730 2.566 1.00 0.00 C ATOM 717 C GLN A 47 12.998 13.099 3.726 1.00 0.00 C ATOM 718 O GLN A 47 14.192 13.372 3.874 1.00 0.00 O ATOM 719 CB GLN A 47 11.130 14.647 3.096 1.00 0.00 C ATOM 720 CG GLN A 47 10.690 15.668 2.045 1.00 0.00 C ATOM 721 CD GLN A 47 9.693 16.644 2.654 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.073 17.540 3.406 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.413 16.491 2.364 1.00 0.00 N ATOM 0 H GLN A 47 10.744 12.486 1.839 1.00 0.00 H new ATOM 0 HA GLN A 47 12.964 14.322 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.274 14.044 3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.482 15.169 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.557 16.210 1.667 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.238 15.156 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.118 15.742 1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.720 17.122 2.766 1.00 0.00 H new ATOM 732 N SER A 48 12.309 12.308 4.548 1.00 0.00 N ATOM 733 CA SER A 48 12.901 11.677 5.714 1.00 0.00 C ATOM 734 C SER A 48 13.376 10.257 5.434 1.00 0.00 C ATOM 735 O SER A 48 14.550 9.962 5.657 1.00 0.00 O ATOM 736 CB SER A 48 11.859 11.719 6.842 1.00 0.00 C ATOM 737 OG SER A 48 12.362 11.350 8.116 1.00 0.00 O ATOM 0 H SER A 48 11.321 12.090 4.418 1.00 0.00 H new ATOM 0 HA SER A 48 13.798 12.222 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.449 12.727 6.904 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.034 11.055 6.584 1.00 0.00 H new ATOM 0 HG SER A 48 11.643 11.403 8.780 1.00 0.00 H new ATOM 743 N GLY A 49 12.483 9.391 4.964 1.00 0.00 N ATOM 744 CA GLY A 49 12.715 7.980 4.680 1.00 0.00 C ATOM 745 C GLY A 49 11.677 7.161 5.457 1.00 0.00 C ATOM 746 O GLY A 49 10.901 7.706 6.244 1.00 0.00 O ATOM 0 H GLY A 49 11.524 9.672 4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.629 7.788 3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.724 7.693 4.975 1.00 0.00 H new ATOM 750 N LEU A 50 11.640 5.842 5.250 1.00 0.00 N ATOM 751 CA LEU A 50 10.674 4.969 5.924 1.00 0.00 C ATOM 752 C LEU A 50 10.945 4.916 7.435 1.00 0.00 C ATOM 753 O LEU A 50 12.118 4.827 7.828 1.00 0.00 O ATOM 754 CB LEU A 50 10.737 3.558 5.303 1.00 0.00 C ATOM 755 CG LEU A 50 9.533 2.664 5.660 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.248 3.083 4.927 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.798 1.212 5.265 1.00 0.00 C ATOM 0 H LEU A 50 12.272 5.352 4.617 1.00 0.00 H new ATOM 0 HA LEU A 50 9.671 5.374 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.799 3.651 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.652 3.067 5.633 1.00 0.00 H new ATOM 0 HG LEU A 50 9.401 2.773 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.432 2.420 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.994 4.109 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.405 3.018 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.935 0.600 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.972 1.153 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.677 0.845 5.796 1.00 0.00 H new ATOM 769 N PRO A 51 9.915 4.955 8.301 1.00 0.00 N ATOM 770 CA PRO A 51 10.097 4.886 9.741 1.00 0.00 C ATOM 771 C PRO A 51 10.469 3.460 10.135 1.00 0.00 C ATOM 772 O PRO A 51 10.112 2.487 9.459 1.00 0.00 O ATOM 773 CB PRO A 51 8.741 5.260 10.355 1.00 0.00 C ATOM 774 CG PRO A 51 7.743 4.837 9.286 1.00 0.00 C ATOM 775 CD PRO A 51 8.500 5.071 7.986 1.00 0.00 C ATOM 0 HA PRO A 51 10.888 5.552 10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.568 4.738 11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.676 6.327 10.566 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.451 3.793 9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.830 5.430 9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.210 4.339 7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.274 6.056 7.578 1.00 0.00 H new ATOM 783 N ALA A 52 11.091 3.316 11.305 1.00 0.00 N ATOM 784 CA ALA A 52 11.497 2.022 11.831 1.00 0.00 C ATOM 785 C ALA A 52 10.283 1.120 12.123 1.00 0.00 C ATOM 786 O ALA A 52 10.440 -0.074 12.357 1.00 0.00 O ATOM 787 CB ALA A 52 12.336 2.227 13.089 1.00 0.00 C ATOM 0 H ALA A 52 11.326 4.100 11.914 1.00 0.00 H new ATOM 0 HA ALA A 52 12.096 1.514 11.075 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.641 1.258 13.485 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.221 2.814 12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.746 2.755 13.838 1.00 0.00 H new ATOM 793 N LYS A 53 9.074 1.688 12.098 1.00 0.00 N ATOM 794 CA LYS A 53 7.802 1.020 12.335 1.00 0.00 C ATOM 795 C LYS A 53 7.233 0.357 11.087 1.00 0.00 C ATOM 796 O LYS A 53 6.453 -0.582 11.206 1.00 0.00 O ATOM 797 CB LYS A 53 6.764 2.063 12.782 1.00 0.00 C ATOM 798 CG LYS A 53 7.214 2.997 13.916 1.00 0.00 C ATOM 799 CD LYS A 53 7.616 2.246 15.191 1.00 0.00 C ATOM 800 CE LYS A 53 8.170 3.211 16.242 1.00 0.00 C ATOM 801 NZ LYS A 53 9.515 3.715 15.909 1.00 0.00 N ATOM 0 H LYS A 53 8.956 2.682 11.900 1.00 0.00 H new ATOM 0 HA LYS A 53 7.993 0.255 13.088 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.491 2.671 11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.863 1.540 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.058 3.595 13.573 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.406 3.690 14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.752 1.719 15.595 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.366 1.492 14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.488 4.055 16.348 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.206 2.706 17.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.887 4.267 16.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.149 2.913 15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.460 4.321 15.066 1.00 0.00 H new ATOM 815 N LEU A 54 7.587 0.830 9.888 1.00 0.00 N ATOM 816 CA LEU A 54 7.043 0.257 8.649 1.00 0.00 C ATOM 817 C LEU A 54 8.008 -0.648 7.900 1.00 0.00 C ATOM 818 O LEU A 54 7.618 -1.272 6.926 1.00 0.00 O ATOM 819 CB LEU A 54 6.495 1.373 7.746 1.00 0.00 C ATOM 820 CG LEU A 54 5.181 1.963 8.284 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.863 3.264 7.537 1.00 0.00 C ATOM 822 CD2 LEU A 54 4.014 0.966 8.167 1.00 0.00 C ATOM 0 H LEU A 54 8.241 1.600 9.747 1.00 0.00 H new ATOM 0 HA LEU A 54 6.226 -0.400 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.238 2.165 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.331 0.979 6.743 1.00 0.00 H new ATOM 0 HG LEU A 54 5.310 2.176 9.345 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.932 3.684 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.672 3.978 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.759 3.056 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.105 1.423 8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.866 0.701 7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.244 0.068 8.740 1.00 0.00 H new ATOM 834 N ARG A 55 9.253 -0.748 8.346 1.00 0.00 N ATOM 835 CA ARG A 55 10.321 -1.577 7.754 1.00 0.00 C ATOM 836 C ARG A 55 10.191 -3.063 8.131 1.00 0.00 C ATOM 837 O ARG A 55 11.203 -3.741 8.337 1.00 0.00 O ATOM 838 CB ARG A 55 11.684 -1.029 8.213 1.00 0.00 C ATOM 839 CG ARG A 55 11.830 -1.095 9.744 1.00 0.00 C ATOM 840 CD ARG A 55 13.274 -1.326 10.169 1.00 0.00 C ATOM 841 NE ARG A 55 13.468 -1.239 11.622 1.00 0.00 N ATOM 842 CZ ARG A 55 14.670 -1.139 12.203 1.00 0.00 C ATOM 843 NH1 ARG A 55 15.795 -1.298 11.510 1.00 0.00 N ATOM 844 NH2 ARG A 55 14.759 -0.888 13.500 1.00 0.00 N ATOM 0 H ARG A 55 9.571 -0.234 9.168 1.00 0.00 H new ATOM 0 HA ARG A 55 10.232 -1.522 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.484 -1.602 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.794 0.003 7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.467 -0.166 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.204 -1.898 10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.595 -2.309 9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.913 -0.591 9.679 1.00 0.00 H new ATOM 0 HE ARG A 55 12.642 -1.256 12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.754 -1.501 10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.698 -1.216 11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.912 -0.771 14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.675 -0.812 13.943 1.00 0.00 H new ATOM 858 N HIS A 56 8.957 -3.512 8.339 1.00 0.00 N ATOM 859 CA HIS A 56 8.618 -4.867 8.730 1.00 0.00 C ATOM 860 C HIS A 56 9.195 -5.909 7.781 1.00 0.00 C ATOM 861 O HIS A 56 9.588 -5.577 6.666 1.00 0.00 O ATOM 862 CB HIS A 56 7.098 -4.996 8.831 1.00 0.00 C ATOM 863 CG HIS A 56 6.609 -5.848 9.970 1.00 0.00 C ATOM 864 ND1 HIS A 56 7.124 -5.899 11.251 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.443 -6.560 9.956 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.250 -6.597 11.996 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.200 -6.993 11.257 1.00 0.00 N ATOM 0 H HIS A 56 8.137 -2.915 8.234 1.00 0.00 H new ATOM 0 HA HIS A 56 9.068 -5.062 9.704 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.669 -3.999 8.932 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.720 -5.412 7.897 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.823 -6.752 9.093 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.375 -6.811 13.047 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.384 -7.510 11.585 1.00 0.00 H new ATOM 875 N GLU A 57 9.167 -7.172 8.215 1.00 0.00 N ATOM 876 CA GLU A 57 9.665 -8.349 7.502 1.00 0.00 C ATOM 877 C GLU A 57 9.335 -8.298 6.010 1.00 0.00 C ATOM 878 O GLU A 57 10.214 -8.498 5.171 1.00 0.00 O ATOM 879 CB GLU A 57 9.059 -9.625 8.122 1.00 0.00 C ATOM 880 CG GLU A 57 9.536 -9.883 9.556 1.00 0.00 C ATOM 881 CD GLU A 57 8.739 -10.983 10.267 1.00 0.00 C ATOM 882 OE1 GLU A 57 8.240 -10.707 11.384 1.00 0.00 O ATOM 883 OE2 GLU A 57 8.644 -12.128 9.765 1.00 0.00 O ATOM 0 H GLU A 57 8.774 -7.413 9.125 1.00 0.00 H new ATOM 0 HA GLU A 57 10.750 -8.361 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.972 -9.543 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.318 -10.482 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.590 -10.161 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.460 -8.959 10.129 1.00 0.00 H new ATOM 890 N GLN A 58 8.069 -8.051 5.675 1.00 0.00 N ATOM 891 CA GLN A 58 7.589 -7.985 4.307 1.00 0.00 C ATOM 892 C GLN A 58 6.516 -6.910 4.257 1.00 0.00 C ATOM 893 O GLN A 58 5.714 -6.803 5.187 1.00 0.00 O ATOM 894 CB GLN A 58 7.026 -9.358 3.886 1.00 0.00 C ATOM 895 CG GLN A 58 7.933 -10.554 4.250 1.00 0.00 C ATOM 896 CD GLN A 58 7.430 -11.872 3.682 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.217 -11.985 2.478 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.228 -12.880 4.511 1.00 0.00 N ATOM 0 H GLN A 58 7.337 -7.889 6.367 1.00 0.00 H new ATOM 0 HA GLN A 58 8.394 -7.737 3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.053 -9.498 4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.862 -9.356 2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.941 -10.365 3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.002 -10.634 5.335 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.411 -12.765 5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.889 -13.773 4.154 1.00 0.00 H new ATOM 907 N ILE A 59 6.485 -6.113 3.192 1.00 0.00 N ATOM 908 CA ILE A 59 5.517 -5.044 3.025 1.00 0.00 C ATOM 909 C ILE A 59 5.017 -5.021 1.578 1.00 0.00 C ATOM 910 O ILE A 59 5.645 -5.594 0.681 1.00 0.00 O ATOM 911 CB ILE A 59 6.107 -3.692 3.505 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.785 -2.899 2.367 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.047 -3.827 4.726 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.334 -1.549 2.814 1.00 0.00 C ATOM 0 H ILE A 59 7.140 -6.196 2.415 1.00 0.00 H new ATOM 0 HA ILE A 59 4.646 -5.226 3.654 1.00 0.00 H new ATOM 0 HB ILE A 59 5.244 -3.116 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.599 -3.495 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.065 -2.742 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.422 -2.843 5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.497 -4.258 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.885 -4.476 4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.797 -1.045 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.520 -0.935 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.078 -1.700 3.596 1.00 0.00 H new ATOM 926 N ILE A 60 3.909 -4.321 1.337 1.00 0.00 N ATOM 927 CA ILE A 60 3.303 -4.194 0.007 1.00 0.00 C ATOM 928 C ILE A 60 3.047 -2.704 -0.264 1.00 0.00 C ATOM 929 O ILE A 60 2.710 -1.958 0.658 1.00 0.00 O ATOM 930 CB ILE A 60 2.034 -5.085 -0.084 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.345 -6.591 0.153 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.335 -4.954 -1.449 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.584 -7.178 1.341 1.00 0.00 C ATOM 0 H ILE A 60 3.400 -3.820 2.065 1.00 0.00 H new ATOM 0 HA ILE A 60 3.969 -4.556 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 60 1.376 -4.724 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.094 -7.154 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.415 -6.714 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.453 -5.594 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.035 -3.918 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.021 -5.257 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.843 -8.231 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.853 -6.638 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.512 -7.085 1.168 1.00 0.00 H new ATOM 945 N PHE A 61 3.192 -2.272 -1.523 1.00 0.00 N ATOM 946 CA PHE A 61 3.000 -0.893 -1.968 1.00 0.00 C ATOM 947 C PHE A 61 1.752 -0.770 -2.839 1.00 0.00 C ATOM 948 O PHE A 61 1.735 -1.275 -3.968 1.00 0.00 O ATOM 949 CB PHE A 61 4.212 -0.416 -2.783 1.00 0.00 C ATOM 950 CG PHE A 61 5.530 -0.325 -2.049 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.618 0.381 -0.834 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.691 -0.874 -2.625 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.861 0.533 -0.202 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.935 -0.690 -2.011 1.00 0.00 C ATOM 955 CZ PHE A 61 8.012 0.008 -0.799 1.00 0.00 C ATOM 0 H PHE A 61 3.456 -2.898 -2.284 1.00 0.00 H new ATOM 0 HA PHE A 61 2.885 -0.275 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.340 -1.091 -3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.981 0.568 -3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.730 0.805 -0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.622 -1.439 -3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.929 1.053 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.830 -1.084 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.971 0.142 -0.320 1.00 0.00 H new ATOM 965 N HIS A 62 0.724 -0.059 -2.371 1.00 0.00 N ATOM 966 CA HIS A 62 -0.516 0.135 -3.123 1.00 0.00 C ATOM 967 C HIS A 62 -0.511 1.513 -3.797 1.00 0.00 C ATOM 968 O HIS A 62 0.056 2.465 -3.250 1.00 0.00 O ATOM 969 CB HIS A 62 -1.711 -0.038 -2.187 1.00 0.00 C ATOM 970 CG HIS A 62 -2.919 -0.680 -2.811 1.00 0.00 C ATOM 971 ND1 HIS A 62 -3.093 -1.053 -4.130 1.00 0.00 N ATOM 972 CD2 HIS A 62 -4.032 -1.059 -2.116 1.00 0.00 C ATOM 973 CE1 HIS A 62 -4.294 -1.649 -4.224 1.00 0.00 C ATOM 974 NE2 HIS A 62 -4.890 -1.671 -3.022 1.00 0.00 N ATOM 0 H HIS A 62 0.728 0.398 -1.459 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.595 -0.614 -3.911 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.400 -0.638 -1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.997 0.941 -1.802 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.432 -0.904 -4.892 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.211 -0.911 -1.061 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.717 -2.051 -5.133 1.00 0.00 H new ATOM 982 N CYS A 63 -1.092 1.613 -4.994 1.00 0.00 N ATOM 983 CA CYS A 63 -1.183 2.810 -5.822 1.00 0.00 C ATOM 984 C CYS A 63 -2.639 3.262 -5.948 1.00 0.00 C ATOM 985 O CYS A 63 -3.549 2.591 -5.462 1.00 0.00 O ATOM 986 CB CYS A 63 -0.530 2.498 -7.185 1.00 0.00 C ATOM 987 SG CYS A 63 -0.194 3.986 -8.170 1.00 0.00 S ATOM 0 H CYS A 63 -1.538 0.809 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.649 3.644 -5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.404 1.960 -7.019 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.184 1.835 -7.751 1.00 0.00 H new ATOM 0 HG CYS A 63 0.825 3.771 -8.947 1.00 0.00 H new ATOM 993 N GLN A 64 -2.818 4.432 -6.566 1.00 0.00 N ATOM 994 CA GLN A 64 -4.064 5.143 -6.824 1.00 0.00 C ATOM 995 C GLN A 64 -5.154 4.251 -7.421 1.00 0.00 C ATOM 996 O GLN A 64 -5.926 3.657 -6.676 1.00 0.00 O ATOM 997 CB GLN A 64 -3.786 6.431 -7.631 1.00 0.00 C ATOM 998 CG GLN A 64 -2.736 6.342 -8.755 1.00 0.00 C ATOM 999 CD GLN A 64 -2.858 7.502 -9.742 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -3.550 7.382 -10.753 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -2.195 8.620 -9.495 1.00 0.00 N ATOM 0 H GLN A 64 -2.018 4.950 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.483 5.452 -5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.726 6.764 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.469 7.206 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.737 6.340 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.853 5.398 -9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.627 8.700 -8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.252 9.402 -10.148 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.231 4.160 -8.748 1.00 0.00 N ATOM 1011 CA ALA A 65 -6.213 3.364 -9.474 1.00 0.00 C ATOM 1012 C ALA A 65 -5.585 2.828 -10.767 1.00 0.00 C ATOM 1013 O ALA A 65 -6.233 2.732 -11.814 1.00 0.00 O ATOM 1014 CB ALA A 65 -7.456 4.219 -9.728 1.00 0.00 C ATOM 0 H ALA A 65 -4.589 4.656 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.523 2.498 -8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.197 3.632 -10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.876 4.542 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.182 5.093 -10.319 1.00 0.00 H new ATOM 1020 N GLY A 66 -4.275 2.585 -10.732 1.00 0.00 N ATOM 1021 CA GLY A 66 -3.531 2.077 -11.860 1.00 0.00 C ATOM 1022 C GLY A 66 -2.261 1.443 -11.344 1.00 0.00 C ATOM 1023 O GLY A 66 -1.568 2.016 -10.504 1.00 0.00 O ATOM 0 H GLY A 66 -3.702 2.741 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.125 1.346 -12.408 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.298 2.883 -12.555 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.930 0.288 -11.903 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.776 -0.550 -11.599 1.00 0.00 C ATOM 1029 C LYS A 67 0.619 0.083 -11.705 1.00 0.00 C ATOM 1030 O LYS A 67 1.597 -0.661 -11.655 1.00 0.00 O ATOM 1031 CB LYS A 67 -0.912 -1.868 -12.363 1.00 0.00 C ATOM 1032 CG LYS A 67 -0.596 -1.803 -13.861 1.00 0.00 C ATOM 1033 CD LYS A 67 -0.993 -3.091 -14.603 1.00 0.00 C ATOM 1034 CE LYS A 67 -0.237 -4.336 -14.118 1.00 0.00 C ATOM 1035 NZ LYS A 67 -0.847 -4.953 -12.922 1.00 0.00 N ATOM 0 H LYS A 67 -2.506 -0.121 -12.639 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.815 -0.723 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.252 -2.603 -11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.931 -2.234 -12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.121 -0.956 -14.303 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.470 -1.623 -13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.064 -3.256 -14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.810 -2.957 -15.669 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.205 -5.071 -14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.794 -4.063 -13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.100 -5.218 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.493 -4.274 -12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.378 -5.802 -13.202 1.00 0.00 H new ATOM 1049 N ARG A 68 0.782 1.371 -12.028 1.00 0.00 N ATOM 1050 CA ARG A 68 2.108 1.991 -12.121 1.00 0.00 C ATOM 1051 C ARG A 68 2.784 1.954 -10.747 1.00 0.00 C ATOM 1052 O ARG A 68 2.448 2.752 -9.877 1.00 0.00 O ATOM 1053 CB ARG A 68 2.044 3.427 -12.668 1.00 0.00 C ATOM 1054 CG ARG A 68 1.718 3.452 -14.168 1.00 0.00 C ATOM 1055 CD ARG A 68 2.151 4.769 -14.829 1.00 0.00 C ATOM 1056 NE ARG A 68 2.149 4.659 -16.300 1.00 0.00 N ATOM 1057 CZ ARG A 68 3.086 4.053 -17.047 1.00 0.00 C ATOM 1058 NH1 ARG A 68 4.177 3.528 -16.507 1.00 0.00 N ATOM 1059 NH2 ARG A 68 2.926 3.965 -18.357 1.00 0.00 N ATOM 0 H ARG A 68 0.009 2.006 -12.230 1.00 0.00 H new ATOM 0 HA ARG A 68 2.702 1.418 -12.833 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.287 3.990 -12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.998 3.925 -12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.217 2.618 -14.661 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.646 3.311 -14.309 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.479 5.570 -14.522 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.149 5.040 -14.484 1.00 0.00 H new ATOM 0 HE ARG A 68 1.364 5.082 -16.795 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.322 3.578 -15.499 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.872 3.074 -17.100 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.093 4.357 -18.797 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.636 3.505 -18.928 1.00 0.00 H new ATOM 1073 N THR A 69 3.775 1.079 -10.596 1.00 0.00 N ATOM 1074 CA THR A 69 4.561 0.862 -9.383 1.00 0.00 C ATOM 1075 C THR A 69 6.031 0.642 -9.736 1.00 0.00 C ATOM 1076 O THR A 69 6.899 1.338 -9.201 1.00 0.00 O ATOM 1077 CB THR A 69 3.982 -0.307 -8.570 1.00 0.00 C ATOM 1078 OG1 THR A 69 3.267 -1.274 -9.312 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.012 0.199 -7.520 1.00 0.00 C ATOM 0 H THR A 69 4.068 0.468 -11.359 1.00 0.00 H new ATOM 0 HA THR A 69 4.505 1.752 -8.757 1.00 0.00 H new ATOM 0 HB THR A 69 4.870 -0.781 -8.152 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.573 -1.672 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.614 -0.644 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.531 0.877 -6.842 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.193 0.729 -8.006 1.00 0.00 H new ATOM 1087 N SER A 70 6.329 -0.222 -10.713 1.00 0.00 N ATOM 1088 CA SER A 70 7.679 -0.543 -11.179 1.00 0.00 C ATOM 1089 C SER A 70 8.451 0.655 -11.764 1.00 0.00 C ATOM 1090 O SER A 70 9.525 0.464 -12.330 1.00 0.00 O ATOM 1091 CB SER A 70 7.612 -1.724 -12.146 1.00 0.00 C ATOM 1092 OG SER A 70 6.987 -2.809 -11.491 1.00 0.00 O ATOM 0 H SER A 70 5.607 -0.735 -11.219 1.00 0.00 H new ATOM 0 HA SER A 70 8.265 -0.825 -10.304 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.053 -1.449 -13.040 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.614 -2.005 -12.470 1.00 0.00 H new ATOM 0 HG SER A 70 6.936 -3.574 -12.101 1.00 0.00 H new ATOM 1098 N ASN A 71 7.896 1.872 -11.702 1.00 0.00 N ATOM 1099 CA ASN A 71 8.520 3.098 -12.191 1.00 0.00 C ATOM 1100 C ASN A 71 9.413 3.689 -11.100 1.00 0.00 C ATOM 1101 O ASN A 71 10.531 4.109 -11.376 1.00 0.00 O ATOM 1102 CB ASN A 71 7.462 4.127 -12.628 1.00 0.00 C ATOM 1103 CG ASN A 71 7.873 4.746 -13.955 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.888 4.044 -14.964 1.00 0.00 O ATOM 1105 ND2 ASN A 71 8.194 6.022 -14.010 1.00 0.00 N ATOM 0 H ASN A 71 6.973 2.030 -11.297 1.00 0.00 H new ATOM 0 HA ASN A 71 9.125 2.852 -13.063 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.489 3.645 -12.725 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.359 4.903 -11.869 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.461 6.443 -14.900 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.176 6.589 -13.163 1.00 0.00 H new ATOM 1112 N ASN A 72 8.920 3.739 -9.855 1.00 0.00 N ATOM 1113 CA ASN A 72 9.657 4.261 -8.696 1.00 0.00 C ATOM 1114 C ASN A 72 10.127 3.116 -7.793 1.00 0.00 C ATOM 1115 O ASN A 72 10.794 3.373 -6.795 1.00 0.00 O ATOM 1116 CB ASN A 72 8.815 5.269 -7.888 1.00 0.00 C ATOM 1117 CG ASN A 72 8.879 6.708 -8.395 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.577 7.043 -9.355 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.151 7.594 -7.744 1.00 0.00 N ATOM 0 H ASN A 72 7.982 3.412 -9.621 1.00 0.00 H new ATOM 0 HA ASN A 72 10.530 4.790 -9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.775 4.942 -7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.147 5.249 -6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.160 8.572 -8.032 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.579 7.301 -6.952 1.00 0.00 H new ATOM 1126 N ALA A 73 9.808 1.862 -8.140 1.00 0.00 N ATOM 1127 CA ALA A 73 10.148 0.631 -7.452 1.00 0.00 C ATOM 1128 C ALA A 73 11.625 0.570 -7.095 1.00 0.00 C ATOM 1129 O ALA A 73 11.950 -0.037 -6.091 1.00 0.00 O ATOM 1130 CB ALA A 73 9.762 -0.561 -8.313 1.00 0.00 C ATOM 0 H ALA A 73 9.260 1.679 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 73 9.588 0.603 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.019 -1.484 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.689 -0.539 -8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.301 -0.516 -9.259 1.00 0.00 H new ATOM 1136 N ASP A 74 12.487 1.197 -7.891 1.00 0.00 N ATOM 1137 CA ASP A 74 13.926 1.255 -7.698 1.00 0.00 C ATOM 1138 C ASP A 74 14.219 1.837 -6.313 1.00 0.00 C ATOM 1139 O ASP A 74 14.692 1.128 -5.424 1.00 0.00 O ATOM 1140 CB ASP A 74 14.504 2.093 -8.843 1.00 0.00 C ATOM 1141 CG ASP A 74 15.997 1.865 -9.027 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.791 2.753 -8.668 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.339 0.887 -9.733 1.00 0.00 O ATOM 0 H ASP A 74 12.184 1.700 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 74 14.394 0.271 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.984 1.847 -9.769 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.321 3.149 -8.646 1.00 0.00 H new ATOM 1148 N LYS A 75 13.859 3.109 -6.099 1.00 0.00 N ATOM 1149 CA LYS A 75 14.070 3.773 -4.814 1.00 0.00 C ATOM 1150 C LYS A 75 13.154 3.149 -3.779 1.00 0.00 C ATOM 1151 O LYS A 75 13.593 2.901 -2.668 1.00 0.00 O ATOM 1152 CB LYS A 75 13.812 5.291 -4.831 1.00 0.00 C ATOM 1153 CG LYS A 75 14.327 6.027 -6.072 1.00 0.00 C ATOM 1154 CD LYS A 75 13.261 6.085 -7.188 1.00 0.00 C ATOM 1155 CE LYS A 75 12.677 7.489 -7.419 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.704 8.487 -7.794 1.00 0.00 N ATOM 0 H LYS A 75 13.418 3.698 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 75 15.124 3.635 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.739 5.462 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.275 5.732 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.622 7.040 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.219 5.526 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.703 5.728 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.450 5.401 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.923 7.438 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.171 7.820 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.249 9.291 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.190 8.823 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.396 8.049 -8.435 1.00 0.00 H new ATOM 1170 N LEU A 76 11.889 2.888 -4.125 1.00 0.00 N ATOM 1171 CA LEU A 76 10.913 2.293 -3.208 1.00 0.00 C ATOM 1172 C LEU A 76 11.483 1.043 -2.542 1.00 0.00 C ATOM 1173 O LEU A 76 11.395 0.924 -1.318 1.00 0.00 O ATOM 1174 CB LEU A 76 9.612 1.961 -3.943 1.00 0.00 C ATOM 1175 CG LEU A 76 8.676 3.154 -4.157 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.546 2.792 -5.138 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.098 3.597 -2.808 1.00 0.00 C ATOM 0 H LEU A 76 11.513 3.084 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 76 10.693 3.024 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.859 1.531 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.079 1.194 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 76 9.243 3.977 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.893 3.654 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.975 2.506 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.968 1.960 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.432 4.446 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.541 2.773 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.910 3.887 -2.142 1.00 0.00 H new ATOM 1189 N ALA A 77 12.048 0.128 -3.336 1.00 0.00 N ATOM 1190 CA ALA A 77 12.667 -1.099 -2.838 1.00 0.00 C ATOM 1191 C ALA A 77 13.759 -0.735 -1.829 1.00 0.00 C ATOM 1192 O ALA A 77 13.737 -1.254 -0.721 1.00 0.00 O ATOM 1193 CB ALA A 77 13.276 -1.910 -3.980 1.00 0.00 C ATOM 0 H ALA A 77 12.088 0.221 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 77 11.900 -1.708 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.729 -2.817 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.496 -2.178 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.038 -1.315 -4.483 1.00 0.00 H new ATOM 1199 N ALA A 78 14.699 0.145 -2.199 1.00 0.00 N ATOM 1200 CA ALA A 78 15.801 0.569 -1.335 1.00 0.00 C ATOM 1201 C ALA A 78 15.315 1.211 -0.029 1.00 0.00 C ATOM 1202 O ALA A 78 15.781 0.842 1.045 1.00 0.00 O ATOM 1203 CB ALA A 78 16.715 1.532 -2.103 1.00 0.00 C ATOM 0 H ALA A 78 14.713 0.586 -3.119 1.00 0.00 H new ATOM 0 HA ALA A 78 16.360 -0.323 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.535 1.847 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.117 1.029 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.143 2.406 -2.415 1.00 0.00 H new ATOM 1209 N ILE A 79 14.377 2.153 -0.118 1.00 0.00 N ATOM 1210 CA ILE A 79 13.793 2.879 1.002 1.00 0.00 C ATOM 1211 C ILE A 79 13.178 1.890 2.007 1.00 0.00 C ATOM 1212 O ILE A 79 13.270 2.132 3.213 1.00 0.00 O ATOM 1213 CB ILE A 79 12.750 3.902 0.468 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.368 5.087 -0.309 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.887 4.494 1.593 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.302 5.958 -1.011 1.00 0.00 C ATOM 0 H ILE A 79 13.988 2.442 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 79 14.565 3.437 1.531 1.00 0.00 H new ATOM 0 HB ILE A 79 12.142 3.311 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.943 5.707 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.066 4.704 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.174 5.202 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.347 3.693 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.527 5.007 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.791 6.775 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.743 5.348 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.618 6.366 -0.267 1.00 0.00 H new ATOM 1228 N ALA A 80 12.513 0.825 1.545 1.00 0.00 N ATOM 1229 CA ALA A 80 11.885 -0.153 2.430 1.00 0.00 C ATOM 1230 C ALA A 80 12.830 -1.257 2.901 1.00 0.00 C ATOM 1231 O ALA A 80 12.704 -1.712 4.039 1.00 0.00 O ATOM 1232 CB ALA A 80 10.660 -0.746 1.736 1.00 0.00 C ATOM 0 H ALA A 80 12.397 0.621 0.552 1.00 0.00 H new ATOM 0 HA ALA A 80 11.588 0.378 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.188 -1.477 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.950 0.049 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.967 -1.234 0.811 1.00 0.00 H new ATOM 1238 N ALA A 81 13.755 -1.691 2.044 1.00 0.00 N ATOM 1239 CA ALA A 81 14.715 -2.730 2.376 1.00 0.00 C ATOM 1240 C ALA A 81 15.586 -2.263 3.556 1.00 0.00 C ATOM 1241 O ALA A 81 15.762 -1.053 3.737 1.00 0.00 O ATOM 1242 CB ALA A 81 15.561 -3.039 1.130 1.00 0.00 C ATOM 0 H ALA A 81 13.855 -1.326 1.097 1.00 0.00 H new ATOM 0 HA ALA A 81 14.206 -3.644 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.286 -3.818 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.911 -3.381 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.087 -2.138 0.815 1.00 0.00 H new ATOM 1248 N PRO A 82 16.235 -3.163 4.316 1.00 0.00 N ATOM 1249 CA PRO A 82 16.245 -4.620 4.200 1.00 0.00 C ATOM 1250 C PRO A 82 14.932 -5.233 4.682 1.00 0.00 C ATOM 1251 O PRO A 82 14.614 -5.147 5.868 1.00 0.00 O ATOM 1252 CB PRO A 82 17.425 -5.075 5.058 1.00 0.00 C ATOM 1253 CG PRO A 82 17.544 -3.995 6.129 1.00 0.00 C ATOM 1254 CD PRO A 82 17.150 -2.741 5.362 1.00 0.00 C ATOM 0 HA PRO A 82 16.347 -4.943 3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.243 -6.055 5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.339 -5.155 4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.880 -4.182 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.556 -3.927 6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.675 -2.016 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.028 -2.256 4.936 1.00 0.00 H new ATOM 1262 N ALA A 83 14.184 -5.824 3.751 1.00 0.00 N ATOM 1263 CA ALA A 83 12.896 -6.481 3.886 1.00 0.00 C ATOM 1264 C ALA A 83 12.375 -6.721 2.465 1.00 0.00 C ATOM 1265 O ALA A 83 12.988 -6.286 1.479 1.00 0.00 O ATOM 1266 CB ALA A 83 11.917 -5.618 4.695 1.00 0.00 C ATOM 0 H ALA A 83 14.505 -5.854 2.783 1.00 0.00 H new ATOM 0 HA ALA A 83 12.995 -7.422 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.961 -6.135 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.324 -5.442 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.770 -4.664 4.189 1.00 0.00 H new ATOM 1272 N GLU A 84 11.231 -7.390 2.356 1.00 0.00 N ATOM 1273 CA GLU A 84 10.602 -7.715 1.085 1.00 0.00 C ATOM 1274 C GLU A 84 9.544 -6.677 0.741 1.00 0.00 C ATOM 1275 O GLU A 84 8.863 -6.159 1.628 1.00 0.00 O ATOM 1276 CB GLU A 84 10.060 -9.149 1.134 1.00 0.00 C ATOM 1277 CG GLU A 84 11.146 -10.181 0.784 1.00 0.00 C ATOM 1278 CD GLU A 84 12.496 -9.946 1.474 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.428 -9.469 0.776 1.00 0.00 O ATOM 1280 OE2 GLU A 84 12.615 -10.205 2.685 1.00 0.00 O ATOM 0 H GLU A 84 10.708 -7.726 3.164 1.00 0.00 H new ATOM 0 HA GLU A 84 11.334 -7.680 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.669 -9.356 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.227 -9.247 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.784 -11.174 1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.299 -10.177 -0.295 1.00 0.00 H new ATOM 1287 N ILE A 85 9.409 -6.391 -0.554 1.00 0.00 N ATOM 1288 CA ILE A 85 8.487 -5.430 -1.122 1.00 0.00 C ATOM 1289 C ILE A 85 7.728 -6.075 -2.275 1.00 0.00 C ATOM 1290 O ILE A 85 8.348 -6.671 -3.162 1.00 0.00 O ATOM 1291 CB ILE A 85 9.221 -4.163 -1.617 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.616 -4.397 -2.248 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.264 -3.125 -0.496 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.789 -4.441 -1.257 1.00 0.00 C ATOM 0 H ILE A 85 9.974 -6.853 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 85 7.789 -5.126 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 85 8.633 -3.785 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.593 -5.337 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.805 -3.606 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.782 -2.232 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.247 -2.863 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.794 -3.538 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.719 -4.609 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.848 -3.494 -0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.633 -5.251 -0.545 1.00 0.00 H new ATOM 1306 N PHE A 86 6.404 -5.923 -2.274 1.00 0.00 N ATOM 1307 CA PHE A 86 5.524 -6.443 -3.310 1.00 0.00 C ATOM 1308 C PHE A 86 4.691 -5.287 -3.865 1.00 0.00 C ATOM 1309 O PHE A 86 4.547 -4.246 -3.218 1.00 0.00 O ATOM 1310 CB PHE A 86 4.641 -7.579 -2.791 1.00 0.00 C ATOM 1311 CG PHE A 86 5.413 -8.783 -2.301 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.731 -8.897 -0.935 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.823 -9.782 -3.207 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.479 -9.996 -0.479 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.564 -10.884 -2.746 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.896 -10.988 -1.383 1.00 0.00 C ATOM 0 H PHE A 86 5.907 -5.424 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 86 6.126 -6.874 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.022 -7.201 -1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.965 -7.893 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.401 -8.141 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.568 -9.701 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.734 -10.078 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.878 -11.651 -3.438 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.472 -11.831 -1.031 1.00 0.00 H new ATOM 1326 N LEU A 87 4.119 -5.470 -5.053 1.00 0.00 N ATOM 1327 CA LEU A 87 3.307 -4.488 -5.759 1.00 0.00 C ATOM 1328 C LEU A 87 1.933 -5.096 -6.021 1.00 0.00 C ATOM 1329 O LEU A 87 1.848 -6.249 -6.443 1.00 0.00 O ATOM 1330 CB LEU A 87 3.984 -4.123 -7.093 1.00 0.00 C ATOM 1331 CG LEU A 87 5.455 -3.664 -6.991 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.018 -3.403 -8.392 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.628 -2.430 -6.091 1.00 0.00 C ATOM 0 H LEU A 87 4.214 -6.344 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 87 3.203 -3.583 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.937 -4.990 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.407 -3.330 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 87 6.018 -4.470 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.056 -3.080 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.967 -4.319 -8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.432 -2.625 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.681 -2.151 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.046 -1.601 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.280 -2.662 -5.085 1.00 0.00 H new ATOM 1345 N LEU A 88 0.863 -4.341 -5.773 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.497 -4.830 -5.991 1.00 0.00 C ATOM 1347 C LEU A 88 -0.824 -4.797 -7.489 1.00 0.00 C ATOM 1348 O LEU A 88 -0.326 -3.935 -8.223 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.477 -4.012 -5.121 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.776 -4.708 -4.664 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.826 -4.956 -5.736 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.488 -6.004 -3.928 1.00 0.00 C ATOM 0 H LEU A 88 0.913 -3.385 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.594 -5.870 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.941 -3.682 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.753 -3.116 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.220 -3.973 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.690 -5.450 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.135 -4.005 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.407 -5.591 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.427 -6.465 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.948 -6.684 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.882 -5.795 -3.046 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.654 -5.737 -7.941 1.00 0.00 N ATOM 1365 CA GLU A 89 -2.097 -5.884 -9.324 1.00 0.00 C ATOM 1366 C GLU A 89 -2.823 -4.627 -9.819 1.00 0.00 C ATOM 1367 O GLU A 89 -2.506 -4.130 -10.897 1.00 0.00 O ATOM 1368 CB GLU A 89 -3.024 -7.112 -9.434 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.120 -7.729 -10.842 1.00 0.00 C ATOM 1370 CD GLU A 89 -3.697 -6.820 -11.935 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -4.850 -6.339 -11.818 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -2.984 -6.597 -12.941 1.00 0.00 O ATOM 0 H GLU A 89 -2.052 -6.446 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.219 -6.025 -9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.673 -7.877 -8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.024 -6.824 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.122 -8.044 -11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.734 -8.628 -10.783 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.777 -4.129 -9.037 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.630 -2.969 -9.285 1.00 0.00 C ATOM 1381 C ASP A 90 -4.417 -1.899 -8.201 1.00 0.00 C ATOM 1382 O ASP A 90 -3.379 -1.898 -7.534 1.00 0.00 O ATOM 1383 CB ASP A 90 -6.089 -3.445 -9.440 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.605 -4.293 -8.278 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -6.378 -3.916 -7.117 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -7.268 -5.325 -8.545 1.00 0.00 O ATOM 0 H ASP A 90 -3.991 -4.562 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.360 -2.478 -10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.733 -2.572 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.174 -4.022 -10.361 1.00 0.00 H new ATOM 1391 N GLY A 91 -5.294 -0.897 -8.096 1.00 0.00 N ATOM 1392 CA GLY A 91 -5.214 0.193 -7.126 1.00 0.00 C ATOM 1393 C GLY A 91 -6.289 0.071 -6.048 1.00 0.00 C ATOM 1394 O GLY A 91 -6.847 -1.004 -5.820 1.00 0.00 O ATOM 0 H GLY A 91 -6.107 -0.822 -8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.229 0.193 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.322 1.147 -7.641 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.545 1.170 -5.335 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.539 1.241 -4.260 1.00 0.00 C ATOM 1400 C ILE A 92 -8.895 0.723 -4.775 1.00 0.00 C ATOM 1401 O ILE A 92 -9.659 0.085 -4.053 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.559 2.695 -3.713 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.821 2.784 -2.201 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.483 3.643 -4.498 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.271 2.559 -1.781 1.00 0.00 C ATOM 0 H ILE A 92 -6.058 2.053 -5.491 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.286 0.594 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.540 3.047 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.194 2.049 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.506 3.767 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.443 4.639 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.155 3.693 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.506 3.269 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.353 2.642 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.907 3.309 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.590 1.565 -2.094 1.00 0.00 H new ATOM 1417 N ASP A 93 -9.182 1.004 -6.045 1.00 0.00 N ATOM 1418 CA ASP A 93 -10.372 0.622 -6.784 1.00 0.00 C ATOM 1419 C ASP A 93 -10.581 -0.890 -6.684 1.00 0.00 C ATOM 1420 O ASP A 93 -11.678 -1.356 -6.358 1.00 0.00 O ATOM 1421 CB ASP A 93 -10.220 1.083 -8.248 1.00 0.00 C ATOM 1422 CG ASP A 93 -9.039 0.454 -9.006 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -7.884 0.582 -8.556 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -9.247 -0.134 -10.091 1.00 0.00 O ATOM 0 H ASP A 93 -8.538 1.545 -6.622 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.254 1.103 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.141 0.852 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.106 2.167 -8.262 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.519 -1.663 -6.913 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.570 -3.106 -6.852 1.00 0.00 C ATOM 1431 C GLY A 94 -9.625 -3.621 -5.420 1.00 0.00 C ATOM 1432 O GLY A 94 -10.252 -4.658 -5.194 1.00 0.00 O ATOM 0 H GLY A 94 -8.598 -1.293 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.445 -3.460 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.694 -3.520 -7.352 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.042 -2.909 -4.448 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.082 -3.325 -3.043 1.00 0.00 C ATOM 1438 C TRP A 95 -10.545 -3.423 -2.615 1.00 0.00 C ATOM 1439 O TRP A 95 -11.008 -4.401 -2.025 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.329 -2.340 -2.152 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.132 -2.783 -0.724 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.035 -2.642 0.277 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.008 -3.505 -0.129 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.506 -3.110 1.462 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.282 -3.707 1.257 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -5.808 -4.060 -0.626 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.422 -4.428 2.099 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -4.941 -4.796 0.209 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.243 -4.974 1.570 1.00 0.00 C ATOM 0 H TRP A 95 -8.535 -2.039 -4.611 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.592 -4.293 -2.937 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.351 -2.150 -2.594 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.868 -1.392 -2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.024 -2.224 0.163 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.962 -3.025 2.371 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.549 -3.918 -1.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.665 -4.561 3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.039 -5.226 -0.201 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.570 -5.529 2.206 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.299 -2.376 -2.955 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.715 -2.275 -2.656 1.00 0.00 C ATOM 1462 C LYS A 96 -13.457 -3.387 -3.382 1.00 0.00 C ATOM 1463 O LYS A 96 -14.298 -4.039 -2.768 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.231 -0.907 -3.100 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.543 0.262 -2.377 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.748 1.559 -3.167 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.204 2.015 -3.083 1.00 0.00 C ATOM 1468 NZ LYS A 96 -14.516 2.606 -1.774 1.00 0.00 N ATOM 0 H LYS A 96 -10.930 -1.566 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.881 -2.379 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.081 -0.800 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.305 -0.855 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.951 0.370 -1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.478 0.057 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.094 2.338 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.469 1.404 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.402 2.745 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.862 1.165 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.406 3.141 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.616 1.850 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.747 3.246 -1.490 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.169 -3.618 -4.670 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.821 -4.667 -5.463 1.00 0.00 C ATOM 1484 C LYS A 97 -13.626 -6.042 -4.832 1.00 0.00 C ATOM 1485 O LYS A 97 -14.542 -6.860 -4.916 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.333 -4.640 -6.919 1.00 0.00 C ATOM 1487 CG LYS A 97 -13.915 -3.451 -7.700 1.00 0.00 C ATOM 1488 CD LYS A 97 -15.339 -3.741 -8.205 1.00 0.00 C ATOM 1489 CE LYS A 97 -15.916 -2.612 -9.068 1.00 0.00 C ATOM 1490 NZ LYS A 97 -15.940 -1.308 -8.377 1.00 0.00 N ATOM 0 H LYS A 97 -12.476 -3.081 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.892 -4.463 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.244 -4.586 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.614 -5.570 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.929 -2.568 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.269 -3.221 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.331 -4.664 -8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.994 -3.907 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.326 -2.522 -9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.930 -2.875 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.386 -0.598 -8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.483 -1.393 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.967 -1.013 -8.158 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.491 -6.309 -4.177 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.265 -7.596 -3.526 1.00 0.00 C ATOM 1506 C ALA A 98 -13.234 -7.774 -2.343 1.00 0.00 C ATOM 1507 O ALA A 98 -13.488 -8.896 -1.917 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.811 -7.704 -3.058 1.00 0.00 C ATOM 0 H ALA A 98 -11.718 -5.650 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.454 -8.393 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.655 -8.668 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.145 -7.617 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.596 -6.904 -2.350 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.816 -6.685 -1.824 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.759 -6.669 -0.706 1.00 0.00 C ATOM 1516 C GLY A 99 -14.059 -6.461 0.630 1.00 0.00 C ATOM 1517 O GLY A 99 -14.610 -6.777 1.689 1.00 0.00 O ATOM 0 H GLY A 99 -13.632 -5.751 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.489 -5.875 -0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.310 -7.609 -0.684 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.809 -6.003 0.601 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.041 -5.758 1.809 1.00 0.00 C ATOM 1523 C LEU A 100 -12.580 -4.513 2.514 1.00 0.00 C ATOM 1524 O LEU A 100 -13.214 -3.664 1.880 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.564 -5.621 1.454 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.952 -6.950 0.992 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.553 -6.709 0.437 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -9.911 -7.951 2.160 1.00 0.00 C ATOM 0 H LEU A 100 -12.306 -5.793 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.140 -6.597 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.449 -4.877 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.016 -5.253 2.322 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.571 -7.374 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.123 -7.656 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.610 -6.025 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.924 -6.273 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.475 -8.890 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.306 -7.542 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.924 -8.131 2.520 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.357 -4.396 3.832 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.835 -3.261 4.593 1.00 0.00 C ATOM 1542 C PRO A 101 -11.993 -2.033 4.278 1.00 0.00 C ATOM 1543 O PRO A 101 -10.783 -2.121 4.059 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.718 -3.680 6.050 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.538 -4.651 6.054 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.620 -5.322 4.681 1.00 0.00 C ATOM 0 HA PRO A 101 -13.863 -2.991 4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.534 -2.824 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.631 -4.158 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.590 -4.130 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.620 -5.379 6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.625 -5.514 4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.129 -6.284 4.745 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.640 -0.877 4.316 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.065 0.426 4.037 1.00 0.00 C ATOM 1556 C VAL A 102 -12.641 1.481 4.979 1.00 0.00 C ATOM 1557 O VAL A 102 -13.705 1.312 5.578 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.293 0.787 2.556 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.255 0.079 1.691 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.685 0.435 2.012 1.00 0.00 C ATOM 0 H VAL A 102 -13.630 -0.823 4.555 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.990 0.394 4.214 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.202 1.872 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.418 0.335 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.256 0.394 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.349 -0.999 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.750 0.726 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.850 -0.639 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.445 0.967 2.584 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.929 2.596 5.096 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.244 3.744 5.931 1.00 0.00 C ATOM 1572 C ALA A 103 -13.150 4.760 5.223 1.00 0.00 C ATOM 1573 O ALA A 103 -12.926 5.974 5.280 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.916 4.346 6.377 1.00 0.00 C ATOM 0 H ALA A 103 -11.061 2.728 4.576 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.825 3.432 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.104 5.214 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.351 3.603 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.343 4.652 5.502 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.124 4.263 4.469 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.084 5.084 3.748 1.00 0.00 C ATOM 1582 C VAL A 104 -16.207 5.488 4.705 1.00 0.00 C ATOM 1583 O VAL A 104 -16.320 4.973 5.817 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.672 4.294 2.558 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -14.608 3.978 1.507 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.371 2.993 2.990 1.00 0.00 C ATOM 0 H VAL A 104 -14.269 3.262 4.341 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.586 5.974 3.363 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.425 4.948 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.061 3.422 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.186 4.908 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.817 3.379 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.764 2.482 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.655 2.346 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.190 3.228 3.669 1.00 0.00 H new ATOM 1596 N ASN A 105 -17.073 6.382 4.241 1.00 0.00 N ATOM 1597 CA ASN A 105 -18.237 6.865 4.960 1.00 0.00 C ATOM 1598 C ASN A 105 -19.380 6.466 4.028 1.00 0.00 C ATOM 1599 O ASN A 105 -19.964 7.315 3.357 1.00 0.00 O ATOM 1600 CB ASN A 105 -18.138 8.373 5.244 1.00 0.00 C ATOM 1601 CG ASN A 105 -17.417 8.673 6.552 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -17.928 8.392 7.632 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -16.227 9.241 6.500 1.00 0.00 N ATOM 0 H ASN A 105 -16.976 6.804 3.317 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.365 6.446 5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.613 8.861 4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.140 8.800 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.724 9.450 7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.811 9.471 5.598 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.594 5.144 3.904 1.00 0.00 N ATOM 1611 CA LYS A 106 -20.602 4.454 3.083 1.00 0.00 C ATOM 1612 C LYS A 106 -20.926 5.184 1.771 1.00 0.00 C ATOM 1613 O LYS A 106 -22.065 5.584 1.529 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.841 4.149 3.945 1.00 0.00 C ATOM 1615 CG LYS A 106 -21.564 3.116 5.057 1.00 0.00 C ATOM 1616 CD LYS A 106 -21.437 1.665 4.563 1.00 0.00 C ATOM 1617 CE LYS A 106 -22.758 1.089 4.035 1.00 0.00 C ATOM 1618 NZ LYS A 106 -23.752 0.869 5.108 1.00 0.00 N ATOM 0 H LYS A 106 -19.018 4.477 4.418 1.00 0.00 H new ATOM 0 HA LYS A 106 -20.182 3.506 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -22.198 5.074 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -22.640 3.778 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -20.644 3.393 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -22.368 3.167 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.687 1.621 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -21.076 1.040 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -23.175 1.769 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -22.561 0.144 3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -24.599 0.417 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -23.343 0.253 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -24.014 1.782 5.531 1.00 0.00 H new ATOM 1632 N SER A 107 -19.905 5.359 0.930 1.00 0.00 N ATOM 1633 CA SER A 107 -19.976 6.017 -0.369 1.00 0.00 C ATOM 1634 C SER A 107 -20.762 5.174 -1.375 1.00 0.00 C ATOM 1635 O SER A 107 -21.771 5.616 -1.934 1.00 0.00 O ATOM 1636 CB SER A 107 -18.542 6.232 -0.879 1.00 0.00 C ATOM 1637 OG SER A 107 -17.701 5.118 -0.578 1.00 0.00 O ATOM 0 H SER A 107 -18.965 5.030 1.149 1.00 0.00 H new ATOM 0 HA SER A 107 -20.493 6.970 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.560 6.394 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 107 -18.127 7.133 -0.428 1.00 0.00 H new ATOM 0 HG SER A 107 -16.798 5.289 -0.918 1.00 0.00 H new ATOM 1643 N GLN A 108 -20.262 3.962 -1.614 1.00 0.00 N ATOM 1644 CA GLN A 108 -20.775 2.954 -2.515 1.00 0.00 C ATOM 1645 C GLN A 108 -20.691 1.654 -1.758 1.00 0.00 C ATOM 1646 O GLN A 108 -21.737 0.989 -1.622 1.00 0.00 O ATOM 1647 CB GLN A 108 -19.931 2.925 -3.802 1.00 0.00 C ATOM 1648 CG GLN A 108 -20.513 1.975 -4.861 1.00 0.00 C ATOM 1649 CD GLN A 108 -19.865 2.155 -6.237 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -18.650 2.315 -6.371 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -20.650 2.150 -7.296 1.00 0.00 N ATOM 0 H GLN A 108 -19.418 3.643 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 108 -21.801 3.152 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -19.869 3.932 -4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -18.914 2.616 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -20.378 0.945 -4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -21.586 2.145 -4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -21.655 2.018 -7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -20.252 2.278 -8.226 1.00 0.00 H new TER 1660 GLN A 108