USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 741 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 42 ASN : amide:sc= -0.247 K(o=-2.5,f=-3.3) USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 1 ALA N :NH3+ -167:sc= -0.199 (180deg=-0.454) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 8 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 31:sc= 0.739 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0026 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0193) USER MOD Single : A 34 THR OG1 : rot 105:sc= 1.1 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 79:sc= 0.903 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.272 F(o=-2.4!,f=-0.27) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0804 K(o=-0.08,f=-1.3!) USER MOD Single : A 60 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.017) USER MOD Single : A 62 THR OG1 : rot -79:sc= -0.451! USER MOD Single : A 70 THR OG1 : rot 79:sc= 0.353 USER MOD Single : A 71 MET CE :methyl 168:sc= -0.415 (180deg=-0.792) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -157:sc= -0.0759 (180deg=-0.694) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= -0.016 (180deg=-0.429) USER MOD Single : B 46 THR OG1 : rot 160:sc= 0 USER MOD Single : B 51 SER OG : rot 74:sc= 1.15 USER MOD Single : B 53 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.42) USER MOD Single : B 61 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.184 -25.423 -9.517 1.00 0.00 N ATOM 2 CA ALA A 1 -9.605 -24.710 -8.277 1.00 0.00 C ATOM 3 C ALA A 1 -8.395 -24.005 -7.689 1.00 0.00 C ATOM 4 O ALA A 1 -8.520 -23.123 -6.838 1.00 0.00 O ATOM 5 CB ALA A 1 -10.156 -25.722 -7.268 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.026 -25.723 -10.048 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.612 -24.785 -10.107 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.619 -26.258 -9.262 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.382 -23.981 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.464 -25.201 -6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.014 -26.236 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.382 -26.450 -7.023 1.00 0.00 H new ATOM 13 N ASP A 2 -7.227 -24.416 -8.155 1.00 0.00 N ATOM 14 CA ASP A 2 -5.973 -23.850 -7.686 1.00 0.00 C ATOM 15 C ASP A 2 -5.887 -22.360 -8.021 1.00 0.00 C ATOM 16 O ASP A 2 -6.223 -21.941 -9.129 1.00 0.00 O ATOM 17 CB ASP A 2 -4.818 -24.608 -8.338 1.00 0.00 C ATOM 18 CG ASP A 2 -3.487 -24.122 -7.790 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.479 -23.098 -7.127 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.491 -24.784 -8.034 1.00 0.00 O ATOM 0 H ASP A 2 -7.121 -25.144 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.917 -23.949 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.926 -25.677 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.847 -24.467 -9.418 1.00 0.00 H new ATOM 25 N GLN A 3 -5.441 -21.571 -7.045 1.00 0.00 N ATOM 26 CA GLN A 3 -5.313 -20.124 -7.222 1.00 0.00 C ATOM 27 C GLN A 3 -4.147 -19.585 -6.393 1.00 0.00 C ATOM 28 O GLN A 3 -3.719 -20.212 -5.424 1.00 0.00 O ATOM 29 CB GLN A 3 -6.618 -19.434 -6.801 1.00 0.00 C ATOM 30 CG GLN A 3 -6.968 -19.825 -5.363 1.00 0.00 C ATOM 31 CD GLN A 3 -8.278 -19.160 -4.942 1.00 0.00 C ATOM 32 OE1 GLN A 3 -8.294 -17.975 -4.606 1.00 0.00 O ATOM 33 NE2 GLN A 3 -9.383 -19.858 -4.934 1.00 0.00 N ATOM 0 H GLN A 3 -5.162 -21.908 -6.124 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.117 -19.915 -8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.510 -18.352 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.426 -19.722 -7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.059 -20.908 -5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.165 -19.523 -4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.368 -20.839 -5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.260 -19.422 -4.649 1.00 0.00 H new ATOM 42 N LEU A 4 -3.637 -18.419 -6.783 1.00 0.00 N ATOM 43 CA LEU A 4 -2.519 -17.796 -6.070 1.00 0.00 C ATOM 44 C LEU A 4 -1.192 -18.469 -6.447 1.00 0.00 C ATOM 45 O LEU A 4 -1.166 -19.407 -7.243 1.00 0.00 O ATOM 46 CB LEU A 4 -2.750 -17.894 -4.542 1.00 0.00 C ATOM 47 CG LEU A 4 -2.233 -16.621 -3.836 1.00 0.00 C ATOM 48 CD1 LEU A 4 -3.308 -15.530 -3.862 1.00 0.00 C ATOM 49 CD2 LEU A 4 -1.878 -16.942 -2.384 1.00 0.00 C ATOM 0 H LEU A 4 -3.976 -17.887 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.465 -16.746 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.812 -18.026 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.238 -18.771 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.346 -16.266 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.933 -14.637 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.557 -15.289 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.200 -15.886 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.514 -16.041 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.764 -17.307 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.102 -17.707 -2.360 1.00 0.00 H new ATOM 61 N THR A 5 -0.097 -17.978 -5.862 1.00 0.00 N ATOM 62 CA THR A 5 1.225 -18.535 -6.134 1.00 0.00 C ATOM 63 C THR A 5 2.269 -17.930 -5.193 1.00 0.00 C ATOM 64 O THR A 5 2.001 -16.948 -4.502 1.00 0.00 O ATOM 65 CB THR A 5 1.616 -18.266 -7.586 1.00 0.00 C ATOM 66 OG1 THR A 5 2.917 -18.783 -7.830 1.00 0.00 O ATOM 67 CG2 THR A 5 1.602 -16.761 -7.852 1.00 0.00 C ATOM 0 H THR A 5 -0.101 -17.201 -5.201 1.00 0.00 H new ATOM 0 HA THR A 5 1.188 -19.611 -5.965 1.00 0.00 H new ATOM 0 HB THR A 5 0.902 -18.754 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.167 -18.612 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.881 -16.572 -8.889 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.602 -16.368 -7.668 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.313 -16.268 -7.189 1.00 0.00 H new ATOM 75 N GLU A 6 3.460 -18.518 -5.174 1.00 0.00 N ATOM 76 CA GLU A 6 4.532 -18.021 -4.315 1.00 0.00 C ATOM 77 C GLU A 6 4.743 -16.532 -4.549 1.00 0.00 C ATOM 78 O GLU A 6 4.781 -15.739 -3.623 1.00 0.00 O ATOM 79 CB GLU A 6 5.825 -18.785 -4.622 1.00 0.00 C ATOM 80 CG GLU A 6 6.919 -18.394 -3.621 1.00 0.00 C ATOM 81 CD GLU A 6 8.193 -19.195 -3.888 1.00 0.00 C ATOM 82 OE1 GLU A 6 8.588 -19.284 -5.039 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.758 -19.707 -2.935 1.00 0.00 O ATOM 0 H GLU A 6 3.708 -19.332 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 6 4.257 -18.176 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.643 -19.858 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.155 -18.564 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.129 -17.327 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.573 -18.577 -2.604 1.00 0.00 H new ATOM 90 N GLU A 7 4.901 -16.162 -5.792 1.00 0.00 N ATOM 91 CA GLU A 7 5.119 -14.762 -6.127 1.00 0.00 C ATOM 92 C GLU A 7 4.127 -13.865 -5.363 1.00 0.00 C ATOM 93 O GLU A 7 4.524 -12.953 -4.645 1.00 0.00 O ATOM 94 CB GLU A 7 4.932 -14.562 -7.648 1.00 0.00 C ATOM 95 CG GLU A 7 5.097 -15.897 -8.384 1.00 0.00 C ATOM 96 CD GLU A 7 6.451 -16.530 -8.064 1.00 0.00 C ATOM 97 OE1 GLU A 7 7.319 -15.824 -7.580 1.00 0.00 O ATOM 98 OE2 GLU A 7 6.595 -17.717 -8.308 1.00 0.00 O ATOM 0 H GLU A 7 4.885 -16.797 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 7 6.134 -14.485 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.944 -14.148 -7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.661 -13.842 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.295 -16.577 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.010 -15.738 -9.459 1.00 0.00 H new ATOM 105 N GLN A 8 2.842 -14.113 -5.565 1.00 0.00 N ATOM 106 CA GLN A 8 1.789 -13.297 -4.962 1.00 0.00 C ATOM 107 C GLN A 8 2.069 -12.948 -3.503 1.00 0.00 C ATOM 108 O GLN A 8 2.049 -11.774 -3.134 1.00 0.00 O ATOM 109 CB GLN A 8 0.468 -14.075 -5.045 1.00 0.00 C ATOM 110 CG GLN A 8 -0.728 -13.113 -5.093 1.00 0.00 C ATOM 111 CD GLN A 8 -0.816 -12.443 -6.458 1.00 0.00 C ATOM 112 OE1 GLN A 8 -0.148 -11.440 -6.702 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.609 -12.943 -7.369 1.00 0.00 N ATOM 0 H GLN A 8 2.497 -14.878 -6.146 1.00 0.00 H new ATOM 0 HA GLN A 8 1.740 -12.357 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.468 -14.707 -5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.375 -14.736 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.650 -13.658 -4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.626 -12.356 -4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.162 -13.775 -7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.675 -12.501 -8.286 1.00 0.00 H new ATOM 122 N ILE A 9 2.307 -13.947 -2.665 1.00 0.00 N ATOM 123 CA ILE A 9 2.552 -13.657 -1.263 1.00 0.00 C ATOM 124 C ILE A 9 3.791 -12.769 -1.102 1.00 0.00 C ATOM 125 O ILE A 9 3.761 -11.754 -0.402 1.00 0.00 O ATOM 126 CB ILE A 9 2.703 -14.966 -0.467 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.611 -15.929 -1.225 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.334 -15.618 -0.287 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.858 -17.186 -0.401 1.00 0.00 C ATOM 0 H ILE A 9 2.335 -14.934 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 9 1.697 -13.111 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 9 3.137 -14.740 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.154 -16.195 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.560 -15.442 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.444 -16.544 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.676 -14.939 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.904 -15.837 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.508 -17.863 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.335 -16.916 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.908 -17.680 -0.198 1.00 0.00 H new ATOM 141 N ALA A 10 4.878 -13.138 -1.759 1.00 0.00 N ATOM 142 CA ALA A 10 6.099 -12.358 -1.674 1.00 0.00 C ATOM 143 C ALA A 10 5.831 -10.925 -2.127 1.00 0.00 C ATOM 144 O ALA A 10 6.278 -9.968 -1.497 1.00 0.00 O ATOM 145 CB ALA A 10 7.169 -12.996 -2.559 1.00 0.00 C ATOM 0 H ALA A 10 4.939 -13.966 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 10 6.449 -12.340 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.088 -12.412 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.362 -14.014 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.821 -13.018 -3.592 1.00 0.00 H new ATOM 151 N GLU A 11 5.085 -10.800 -3.220 1.00 0.00 N ATOM 152 CA GLU A 11 4.744 -9.492 -3.771 1.00 0.00 C ATOM 153 C GLU A 11 4.063 -8.614 -2.726 1.00 0.00 C ATOM 154 O GLU A 11 4.358 -7.423 -2.622 1.00 0.00 O ATOM 155 CB GLU A 11 3.812 -9.670 -4.975 1.00 0.00 C ATOM 156 CG GLU A 11 4.588 -10.250 -6.161 1.00 0.00 C ATOM 157 CD GLU A 11 5.583 -9.227 -6.694 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.164 -8.118 -6.984 1.00 0.00 O ATOM 159 OE2 GLU A 11 6.749 -9.567 -6.809 1.00 0.00 O ATOM 0 H GLU A 11 4.704 -11.589 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 11 5.666 -9.001 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.987 -10.332 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.375 -8.711 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.115 -11.153 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.895 -10.539 -6.951 1.00 0.00 H new ATOM 166 N PHE A 12 3.154 -9.196 -1.950 1.00 0.00 N ATOM 167 CA PHE A 12 2.456 -8.437 -0.925 1.00 0.00 C ATOM 168 C PHE A 12 3.464 -7.928 0.114 1.00 0.00 C ATOM 169 O PHE A 12 3.395 -6.777 0.547 1.00 0.00 O ATOM 170 CB PHE A 12 1.338 -9.324 -0.299 1.00 0.00 C ATOM 171 CG PHE A 12 1.599 -9.615 1.169 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.594 -8.573 2.093 1.00 0.00 C ATOM 173 CD2 PHE A 12 1.856 -10.923 1.596 1.00 0.00 C ATOM 174 CE1 PHE A 12 1.848 -8.830 3.436 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.110 -11.180 2.942 1.00 0.00 C ATOM 176 CZ PHE A 12 2.108 -10.134 3.864 1.00 0.00 C ATOM 0 H PHE A 12 2.888 -10.179 -2.012 1.00 0.00 H new ATOM 0 HA PHE A 12 1.972 -7.561 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.376 -8.823 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.270 -10.263 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.393 -7.564 1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.857 -11.733 0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.844 -8.019 4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.308 -12.189 3.271 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.307 -10.332 4.907 1.00 0.00 H new ATOM 186 N LYS A 13 4.378 -8.802 0.522 1.00 0.00 N ATOM 187 CA LYS A 13 5.373 -8.427 1.518 1.00 0.00 C ATOM 188 C LYS A 13 6.248 -7.298 0.992 1.00 0.00 C ATOM 189 O LYS A 13 6.515 -6.325 1.700 1.00 0.00 O ATOM 190 CB LYS A 13 6.247 -9.641 1.861 1.00 0.00 C ATOM 191 CG LYS A 13 7.223 -9.305 3.009 1.00 0.00 C ATOM 192 CD LYS A 13 6.526 -9.467 4.371 1.00 0.00 C ATOM 193 CE LYS A 13 6.620 -10.920 4.844 1.00 0.00 C ATOM 194 NZ LYS A 13 5.987 -11.023 6.184 1.00 0.00 N ATOM 0 H LYS A 13 4.450 -9.762 0.184 1.00 0.00 H new ATOM 0 HA LYS A 13 4.859 -8.085 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.615 -10.481 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.808 -9.952 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.093 -9.960 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.586 -8.283 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.989 -8.807 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.480 -9.170 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.119 -11.581 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.662 -11.236 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.043 -12.006 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.485 -10.400 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.990 -10.735 6.120 1.00 0.00 H new ATOM 208 N GLU A 14 6.694 -7.437 -0.248 1.00 0.00 N ATOM 209 CA GLU A 14 7.541 -6.422 -0.857 1.00 0.00 C ATOM 210 C GLU A 14 6.871 -5.055 -0.771 1.00 0.00 C ATOM 211 O GLU A 14 7.466 -4.090 -0.291 1.00 0.00 O ATOM 212 CB GLU A 14 7.801 -6.776 -2.327 1.00 0.00 C ATOM 213 CG GLU A 14 8.711 -8.011 -2.415 1.00 0.00 C ATOM 214 CD GLU A 14 8.917 -8.417 -3.876 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.382 -7.744 -4.741 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.605 -9.399 -4.104 1.00 0.00 O ATOM 0 H GLU A 14 6.486 -8.235 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 14 8.489 -6.387 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.857 -6.972 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.268 -5.933 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.674 -7.795 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.268 -8.838 -1.860 1.00 0.00 H new ATOM 223 N ALA A 15 5.624 -4.983 -1.224 1.00 0.00 N ATOM 224 CA ALA A 15 4.878 -3.730 -1.187 1.00 0.00 C ATOM 225 C ALA A 15 4.787 -3.206 0.249 1.00 0.00 C ATOM 226 O ALA A 15 5.002 -2.016 0.511 1.00 0.00 O ATOM 227 CB ALA A 15 3.476 -3.952 -1.767 1.00 0.00 C ATOM 0 H ALA A 15 5.111 -5.772 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 15 5.399 -2.985 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.918 -3.016 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.559 -4.295 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.953 -4.704 -1.176 1.00 0.00 H new ATOM 233 N PHE A 16 4.494 -4.107 1.178 1.00 0.00 N ATOM 234 CA PHE A 16 4.403 -3.727 2.579 1.00 0.00 C ATOM 235 C PHE A 16 5.722 -3.118 3.065 1.00 0.00 C ATOM 236 O PHE A 16 5.732 -2.053 3.679 1.00 0.00 O ATOM 237 CB PHE A 16 4.029 -4.977 3.415 1.00 0.00 C ATOM 238 CG PHE A 16 4.773 -4.998 4.739 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.453 -4.083 5.748 1.00 0.00 C ATOM 240 CD2 PHE A 16 5.813 -5.918 4.931 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.170 -4.094 6.951 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.529 -5.926 6.128 1.00 0.00 C ATOM 243 CZ PHE A 16 6.208 -5.015 7.136 1.00 0.00 C ATOM 0 H PHE A 16 4.318 -5.094 0.989 1.00 0.00 H new ATOM 0 HA PHE A 16 3.630 -2.968 2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.955 -4.986 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.263 -5.879 2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.655 -3.370 5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.060 -6.622 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.923 -3.393 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.330 -6.635 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.763 -5.021 8.063 1.00 0.00 H new ATOM 253 N SER A 17 6.821 -3.811 2.800 1.00 0.00 N ATOM 254 CA SER A 17 8.132 -3.346 3.233 1.00 0.00 C ATOM 255 C SER A 17 8.434 -1.954 2.688 1.00 0.00 C ATOM 256 O SER A 17 9.067 -1.141 3.359 1.00 0.00 O ATOM 257 CB SER A 17 9.208 -4.328 2.766 1.00 0.00 C ATOM 258 OG SER A 17 10.400 -4.108 3.512 1.00 0.00 O ATOM 0 H SER A 17 6.832 -4.694 2.289 1.00 0.00 H new ATOM 0 HA SER A 17 8.130 -3.291 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.864 -5.354 2.901 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.401 -4.195 1.702 1.00 0.00 H new ATOM 0 HG SER A 17 11.091 -4.737 3.217 1.00 0.00 H new ATOM 264 N LEU A 18 7.985 -1.688 1.467 1.00 0.00 N ATOM 265 CA LEU A 18 8.231 -0.382 0.847 1.00 0.00 C ATOM 266 C LEU A 18 7.559 0.738 1.627 1.00 0.00 C ATOM 267 O LEU A 18 8.157 1.790 1.853 1.00 0.00 O ATOM 268 CB LEU A 18 7.706 -0.375 -0.593 1.00 0.00 C ATOM 269 CG LEU A 18 8.590 -1.263 -1.487 1.00 0.00 C ATOM 270 CD1 LEU A 18 7.948 -1.389 -2.878 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.008 -0.659 -1.618 1.00 0.00 C ATOM 0 H LEU A 18 7.457 -2.344 0.891 1.00 0.00 H new ATOM 0 HA LEU A 18 9.308 -0.213 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.677 -0.735 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.695 0.644 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 18 8.674 -2.250 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.573 -2.018 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.960 -1.839 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.855 -0.400 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.619 -1.300 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.941 0.334 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.465 -0.585 -0.631 1.00 0.00 H new ATOM 283 N PHE A 19 6.312 0.515 2.021 1.00 0.00 N ATOM 284 CA PHE A 19 5.575 1.533 2.764 1.00 0.00 C ATOM 285 C PHE A 19 6.067 1.644 4.204 1.00 0.00 C ATOM 286 O PHE A 19 6.139 2.729 4.746 1.00 0.00 O ATOM 287 CB PHE A 19 4.093 1.211 2.760 1.00 0.00 C ATOM 288 CG PHE A 19 3.610 1.089 1.337 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.630 2.200 0.486 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.145 -0.142 0.867 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.183 2.078 -0.834 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.700 -0.263 -0.445 1.00 0.00 C ATOM 293 CZ PHE A 19 2.718 0.845 -1.302 1.00 0.00 C ATOM 0 H PHE A 19 5.795 -0.346 1.843 1.00 0.00 H new ATOM 0 HA PHE A 19 5.746 2.489 2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.910 0.281 3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.538 1.993 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.990 3.151 0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.131 -1.000 1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.197 2.935 -1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.339 -1.215 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.374 0.747 -2.321 1.00 0.00 H new ATOM 303 N ASP A 20 6.375 0.519 4.834 1.00 0.00 N ATOM 304 CA ASP A 20 6.839 0.542 6.222 1.00 0.00 C ATOM 305 C ASP A 20 8.208 1.221 6.334 1.00 0.00 C ATOM 306 O ASP A 20 9.192 0.586 6.716 1.00 0.00 O ATOM 307 CB ASP A 20 6.931 -0.886 6.762 1.00 0.00 C ATOM 308 CG ASP A 20 7.282 -0.866 8.248 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.624 0.195 8.741 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.195 -1.913 8.871 1.00 0.00 O ATOM 0 H ASP A 20 6.315 -0.410 4.418 1.00 0.00 H new ATOM 0 HA ASP A 20 6.121 1.113 6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.982 -1.401 6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.687 -1.443 6.210 1.00 0.00 H new ATOM 315 N LYS A 21 8.266 2.506 5.983 1.00 0.00 N ATOM 316 CA LYS A 21 9.529 3.238 6.035 1.00 0.00 C ATOM 317 C LYS A 21 10.119 3.153 7.436 1.00 0.00 C ATOM 318 O LYS A 21 11.313 2.899 7.599 1.00 0.00 O ATOM 319 CB LYS A 21 9.322 4.720 5.663 1.00 0.00 C ATOM 320 CG LYS A 21 8.576 4.850 4.323 1.00 0.00 C ATOM 321 CD LYS A 21 9.528 4.606 3.138 1.00 0.00 C ATOM 322 CE LYS A 21 10.248 5.906 2.757 1.00 0.00 C ATOM 323 NZ LYS A 21 11.176 5.643 1.620 1.00 0.00 N ATOM 0 H LYS A 21 7.466 3.053 5.665 1.00 0.00 H new ATOM 0 HA LYS A 21 10.212 2.786 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.757 5.221 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.288 5.221 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.755 4.134 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.136 5.844 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.259 3.841 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.966 4.229 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.521 6.669 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.803 6.291 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.665 6.523 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.877 4.928 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.635 5.294 0.804 1.00 0.00 H new ATOM 337 N ASP A 22 9.287 3.372 8.445 1.00 0.00 N ATOM 338 CA ASP A 22 9.759 3.330 9.821 1.00 0.00 C ATOM 339 C ASP A 22 10.326 1.945 10.122 1.00 0.00 C ATOM 340 O ASP A 22 11.072 1.761 11.084 1.00 0.00 O ATOM 341 CB ASP A 22 8.582 3.607 10.765 1.00 0.00 C ATOM 342 CG ASP A 22 7.727 4.746 10.220 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.253 5.557 9.475 1.00 0.00 O ATOM 344 OD2 ASP A 22 6.548 4.777 10.549 1.00 0.00 O ATOM 0 H ASP A 22 8.294 3.578 8.339 1.00 0.00 H new ATOM 0 HA ASP A 22 10.535 4.082 9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.976 2.708 10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.954 3.864 11.757 1.00 0.00 H new ATOM 349 N GLY A 23 9.985 0.979 9.270 1.00 0.00 N ATOM 350 CA GLY A 23 10.480 -0.385 9.432 1.00 0.00 C ATOM 351 C GLY A 23 10.153 -0.949 10.812 1.00 0.00 C ATOM 352 O GLY A 23 10.946 -1.700 11.382 1.00 0.00 O ATOM 0 H GLY A 23 9.372 1.115 8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.041 -1.024 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.559 -0.400 9.280 1.00 0.00 H new ATOM 356 N ASP A 24 8.986 -0.591 11.351 1.00 0.00 N ATOM 357 CA ASP A 24 8.580 -1.085 12.672 1.00 0.00 C ATOM 358 C ASP A 24 7.626 -2.274 12.553 1.00 0.00 C ATOM 359 O ASP A 24 7.349 -2.956 13.538 1.00 0.00 O ATOM 360 CB ASP A 24 7.931 0.043 13.478 1.00 0.00 C ATOM 361 CG ASP A 24 6.908 0.790 12.630 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.290 0.166 11.784 1.00 0.00 O ATOM 363 OD2 ASP A 24 6.763 1.982 12.842 1.00 0.00 O ATOM 0 H ASP A 24 8.313 0.030 10.903 1.00 0.00 H new ATOM 0 HA ASP A 24 9.473 -1.428 13.195 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.446 -0.368 14.364 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.697 0.735 13.827 1.00 0.00 H new ATOM 368 N GLY A 25 7.134 -2.525 11.340 1.00 0.00 N ATOM 369 CA GLY A 25 6.220 -3.644 11.097 1.00 0.00 C ATOM 370 C GLY A 25 4.800 -3.149 10.839 1.00 0.00 C ATOM 371 O GLY A 25 3.858 -3.935 10.755 1.00 0.00 O ATOM 0 H GLY A 25 7.351 -1.971 10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.568 -4.222 10.241 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.224 -4.314 11.957 1.00 0.00 H new ATOM 375 N THR A 26 4.652 -1.836 10.722 1.00 0.00 N ATOM 376 CA THR A 26 3.345 -1.234 10.470 1.00 0.00 C ATOM 377 C THR A 26 3.487 -0.030 9.549 1.00 0.00 C ATOM 378 O THR A 26 4.513 0.647 9.557 1.00 0.00 O ATOM 379 CB THR A 26 2.713 -0.800 11.807 1.00 0.00 C ATOM 380 OG1 THR A 26 3.747 -0.477 12.729 1.00 0.00 O ATOM 381 CG2 THR A 26 1.826 -1.920 12.371 1.00 0.00 C ATOM 0 H THR A 26 5.418 -1.167 10.797 1.00 0.00 H new ATOM 0 HA THR A 26 2.702 -1.969 9.986 1.00 0.00 H new ATOM 0 HB THR A 26 2.087 0.077 11.642 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.522 -0.126 12.242 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.388 -1.597 13.315 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.031 -2.147 11.661 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.429 -2.813 12.538 1.00 0.00 H new ATOM 389 N ILE A 27 2.436 0.253 8.779 1.00 0.00 N ATOM 390 CA ILE A 27 2.442 1.397 7.881 1.00 0.00 C ATOM 391 C ILE A 27 1.522 2.462 8.463 1.00 0.00 C ATOM 392 O ILE A 27 0.379 2.179 8.803 1.00 0.00 O ATOM 393 CB ILE A 27 1.949 0.985 6.497 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.835 -0.135 5.941 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.007 2.193 5.562 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.121 -0.815 4.760 1.00 0.00 C ATOM 0 H ILE A 27 1.575 -0.294 8.762 1.00 0.00 H new ATOM 0 HA ILE A 27 3.455 1.786 7.780 1.00 0.00 H new ATOM 0 HB ILE A 27 0.923 0.625 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.792 0.272 5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.048 -0.866 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.656 1.904 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.372 2.988 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.034 2.550 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.751 -1.612 4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.175 -1.236 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.931 -0.080 3.978 1.00 0.00 H new ATOM 408 N THR A 28 2.031 3.684 8.578 1.00 0.00 N ATOM 409 CA THR A 28 1.256 4.797 9.137 1.00 0.00 C ATOM 410 C THR A 28 1.020 5.884 8.085 1.00 0.00 C ATOM 411 O THR A 28 1.551 5.821 6.977 1.00 0.00 O ATOM 412 CB THR A 28 1.993 5.381 10.355 1.00 0.00 C ATOM 413 OG1 THR A 28 1.087 6.163 11.119 1.00 0.00 O ATOM 414 CG2 THR A 28 3.160 6.257 9.905 1.00 0.00 C ATOM 0 H THR A 28 2.978 3.934 8.292 1.00 0.00 H new ATOM 0 HA THR A 28 0.283 4.420 9.452 1.00 0.00 H new ATOM 0 HB THR A 28 2.381 4.561 10.959 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.552 6.536 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.670 6.662 10.779 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.860 5.659 9.321 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.785 7.077 9.292 1.00 0.00 H new ATOM 422 N THR A 29 0.210 6.873 8.450 1.00 0.00 N ATOM 423 CA THR A 29 -0.116 7.969 7.542 1.00 0.00 C ATOM 424 C THR A 29 1.153 8.652 7.039 1.00 0.00 C ATOM 425 O THR A 29 1.263 8.997 5.865 1.00 0.00 O ATOM 426 CB THR A 29 -0.976 9.004 8.274 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.178 9.690 9.229 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.136 8.305 8.988 1.00 0.00 C ATOM 0 H THR A 29 -0.232 6.939 9.367 1.00 0.00 H new ATOM 0 HA THR A 29 -0.660 7.558 6.692 1.00 0.00 H new ATOM 0 HB THR A 29 -1.376 9.715 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.726 10.354 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.744 9.046 9.507 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.750 7.780 8.256 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.741 7.590 9.710 1.00 0.00 H new ATOM 436 N LYS A 30 2.101 8.849 7.947 1.00 0.00 N ATOM 437 CA LYS A 30 3.366 9.495 7.608 1.00 0.00 C ATOM 438 C LYS A 30 4.190 8.614 6.670 1.00 0.00 C ATOM 439 O LYS A 30 4.782 9.104 5.707 1.00 0.00 O ATOM 440 CB LYS A 30 4.158 9.786 8.886 1.00 0.00 C ATOM 441 CG LYS A 30 3.385 10.797 9.738 1.00 0.00 C ATOM 442 CD LYS A 30 4.144 11.058 11.041 1.00 0.00 C ATOM 443 CE LYS A 30 3.393 12.098 11.877 1.00 0.00 C ATOM 444 NZ LYS A 30 2.220 11.457 12.534 1.00 0.00 N ATOM 0 H LYS A 30 2.019 8.571 8.925 1.00 0.00 H new ATOM 0 HA LYS A 30 3.151 10.433 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.317 8.865 9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.143 10.181 8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.257 11.729 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.387 10.416 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.248 10.131 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.151 11.412 10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.057 12.523 12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.063 12.920 11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.750 12.147 13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.550 11.132 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.540 10.644 13.099 1.00 0.00 H new ATOM 458 N GLU A 31 4.220 7.311 6.951 1.00 0.00 N ATOM 459 CA GLU A 31 4.970 6.379 6.114 1.00 0.00 C ATOM 460 C GLU A 31 4.471 6.450 4.673 1.00 0.00 C ATOM 461 O GLU A 31 5.202 6.858 3.769 1.00 0.00 O ATOM 462 CB GLU A 31 4.798 4.946 6.659 1.00 0.00 C ATOM 463 CG GLU A 31 5.820 4.669 7.772 1.00 0.00 C ATOM 464 CD GLU A 31 5.404 3.454 8.599 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.329 3.484 9.168 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.184 2.519 8.671 1.00 0.00 O ATOM 0 H GLU A 31 3.739 6.882 7.742 1.00 0.00 H new ATOM 0 HA GLU A 31 6.026 6.650 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.787 4.816 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.926 4.225 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.804 4.498 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.906 5.542 8.418 1.00 0.00 H new ATOM 473 N LEU A 32 3.219 6.060 4.472 1.00 0.00 N ATOM 474 CA LEU A 32 2.629 6.089 3.141 1.00 0.00 C ATOM 475 C LEU A 32 2.564 7.513 2.613 1.00 0.00 C ATOM 476 O LEU A 32 2.974 7.780 1.486 1.00 0.00 O ATOM 477 CB LEU A 32 1.222 5.486 3.211 1.00 0.00 C ATOM 478 CG LEU A 32 0.463 5.650 1.886 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.121 4.795 0.806 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.981 5.191 2.073 1.00 0.00 C ATOM 0 H LEU A 32 2.597 5.723 5.207 1.00 0.00 H new ATOM 0 HA LEU A 32 3.248 5.506 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.293 4.427 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.661 5.966 4.013 1.00 0.00 H new ATOM 0 HG LEU A 32 0.485 6.697 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.580 4.914 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.155 5.112 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.099 3.748 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.524 5.306 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.994 4.143 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.458 5.796 2.844 1.00 0.00 H new ATOM 492 N GLY A 33 2.050 8.420 3.431 1.00 0.00 N ATOM 493 CA GLY A 33 1.928 9.812 3.024 1.00 0.00 C ATOM 494 C GLY A 33 3.233 10.292 2.413 1.00 0.00 C ATOM 495 O GLY A 33 3.238 10.939 1.362 1.00 0.00 O ATOM 0 H GLY A 33 1.713 8.220 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.118 9.919 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.671 10.430 3.885 1.00 0.00 H new ATOM 499 N THR A 34 4.339 9.973 3.073 1.00 0.00 N ATOM 500 CA THR A 34 5.646 10.381 2.580 1.00 0.00 C ATOM 501 C THR A 34 5.878 9.785 1.198 1.00 0.00 C ATOM 502 O THR A 34 6.264 10.497 0.271 1.00 0.00 O ATOM 503 CB THR A 34 6.741 9.911 3.543 1.00 0.00 C ATOM 504 OG1 THR A 34 6.547 10.518 4.811 1.00 0.00 O ATOM 505 CG2 THR A 34 8.118 10.297 2.993 1.00 0.00 C ATOM 0 H THR A 34 4.357 9.439 3.942 1.00 0.00 H new ATOM 0 HA THR A 34 5.681 11.468 2.514 1.00 0.00 H new ATOM 0 HB THR A 34 6.689 8.827 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.173 9.861 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.892 9.960 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.267 9.826 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.176 11.380 2.884 1.00 0.00 H new ATOM 513 N VAL A 35 5.636 8.483 1.054 1.00 0.00 N ATOM 514 CA VAL A 35 5.820 7.810 -0.225 1.00 0.00 C ATOM 515 C VAL A 35 4.894 8.400 -1.289 1.00 0.00 C ATOM 516 O VAL A 35 5.296 8.600 -2.434 1.00 0.00 O ATOM 517 CB VAL A 35 5.517 6.311 -0.065 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.757 5.586 -1.395 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.422 5.709 1.014 1.00 0.00 C ATOM 0 H VAL A 35 5.313 7.876 1.808 1.00 0.00 H new ATOM 0 HA VAL A 35 6.853 7.951 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 35 4.474 6.191 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.541 4.524 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.104 6.005 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.797 5.712 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.202 4.647 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.466 5.836 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.243 6.215 1.963 1.00 0.00 H new ATOM 529 N MET A 36 3.660 8.700 -0.894 1.00 0.00 N ATOM 530 CA MET A 36 2.690 9.281 -1.823 1.00 0.00 C ATOM 531 C MET A 36 3.125 10.677 -2.281 1.00 0.00 C ATOM 532 O MET A 36 2.990 11.022 -3.455 1.00 0.00 O ATOM 533 CB MET A 36 1.313 9.347 -1.163 1.00 0.00 C ATOM 534 CG MET A 36 0.817 7.925 -0.881 1.00 0.00 C ATOM 535 SD MET A 36 0.473 7.072 -2.443 1.00 0.00 S ATOM 536 CE MET A 36 -1.308 7.389 -2.490 1.00 0.00 C ATOM 0 H MET A 36 3.309 8.553 0.052 1.00 0.00 H new ATOM 0 HA MET A 36 2.637 8.641 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.369 9.916 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.610 9.867 -1.814 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.567 7.375 -0.313 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.084 7.959 -0.269 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.733 6.942 -3.389 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.779 6.952 -1.610 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.486 8.464 -2.500 1.00 0.00 H new ATOM 546 N ARG A 37 3.647 11.472 -1.350 1.00 0.00 N ATOM 547 CA ARG A 37 4.105 12.825 -1.678 1.00 0.00 C ATOM 548 C ARG A 37 5.441 12.783 -2.422 1.00 0.00 C ATOM 549 O ARG A 37 5.606 13.430 -3.453 1.00 0.00 O ATOM 550 CB ARG A 37 4.227 13.661 -0.414 1.00 0.00 C ATOM 551 CG ARG A 37 4.606 15.089 -0.808 1.00 0.00 C ATOM 552 CD ARG A 37 4.503 15.991 0.408 1.00 0.00 C ATOM 553 NE ARG A 37 4.982 17.327 0.075 1.00 0.00 N ATOM 554 CZ ARG A 37 4.843 18.354 0.913 1.00 0.00 C ATOM 555 NH1 ARG A 37 4.258 18.187 2.070 1.00 0.00 N ATOM 556 NH2 ARG A 37 5.291 19.534 0.570 1.00 0.00 N ATOM 0 H ARG A 37 3.764 11.209 -0.371 1.00 0.00 H new ATOM 0 HA ARG A 37 3.366 13.287 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.285 13.657 0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.983 13.238 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.620 15.111 -1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.946 15.448 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.469 16.040 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.090 15.579 1.229 1.00 0.00 H new ATOM 0 HE ARG A 37 5.437 17.480 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.905 17.267 2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.154 18.976 2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.744 19.664 -0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.187 20.324 1.207 1.00 0.00 H new ATOM 570 N SER A 38 6.396 12.033 -1.877 1.00 0.00 N ATOM 571 CA SER A 38 7.722 11.923 -2.486 1.00 0.00 C ATOM 572 C SER A 38 7.607 11.577 -3.964 1.00 0.00 C ATOM 573 O SER A 38 8.543 11.794 -4.735 1.00 0.00 O ATOM 574 CB SER A 38 8.540 10.844 -1.775 1.00 0.00 C ATOM 575 OG SER A 38 8.819 11.264 -0.445 1.00 0.00 O ATOM 0 H SER A 38 6.279 11.494 -1.019 1.00 0.00 H new ATOM 0 HA SER A 38 8.223 12.886 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.990 9.903 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.470 10.663 -2.314 1.00 0.00 H new ATOM 0 HG SER A 38 8.026 11.126 0.115 1.00 0.00 H new ATOM 581 N LEU A 39 6.456 11.037 -4.360 1.00 0.00 N ATOM 582 CA LEU A 39 6.239 10.665 -5.757 1.00 0.00 C ATOM 583 C LEU A 39 5.812 11.874 -6.591 1.00 0.00 C ATOM 584 O LEU A 39 5.779 11.808 -7.821 1.00 0.00 O ATOM 585 CB LEU A 39 5.169 9.574 -5.826 1.00 0.00 C ATOM 586 CG LEU A 39 5.767 8.234 -5.357 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.631 7.260 -5.030 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.659 7.620 -6.458 1.00 0.00 C ATOM 0 H LEU A 39 5.667 10.849 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 39 7.176 10.291 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.319 9.844 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.796 9.480 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 39 6.376 8.414 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.050 6.310 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.009 7.679 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.024 7.097 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.072 6.674 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.063 7.445 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.473 8.306 -6.692 1.00 0.00 H new ATOM 600 N GLY A 40 5.510 12.976 -5.917 1.00 0.00 N ATOM 601 CA GLY A 40 5.109 14.205 -6.603 1.00 0.00 C ATOM 602 C GLY A 40 3.612 14.234 -6.911 1.00 0.00 C ATOM 603 O GLY A 40 3.192 14.828 -7.905 1.00 0.00 O ATOM 0 H GLY A 40 5.534 13.048 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.367 15.065 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.671 14.300 -7.532 1.00 0.00 H new ATOM 607 N GLN A 41 2.807 13.594 -6.060 1.00 0.00 N ATOM 608 CA GLN A 41 1.354 13.562 -6.264 1.00 0.00 C ATOM 609 C GLN A 41 0.673 14.682 -5.476 1.00 0.00 C ATOM 610 O GLN A 41 1.012 14.941 -4.322 1.00 0.00 O ATOM 611 CB GLN A 41 0.796 12.200 -5.834 1.00 0.00 C ATOM 612 CG GLN A 41 -0.713 12.145 -6.111 1.00 0.00 C ATOM 613 CD GLN A 41 -1.274 10.778 -5.723 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.517 9.830 -5.514 1.00 0.00 O ATOM 615 NE2 GLN A 41 -2.569 10.619 -5.622 1.00 0.00 N ATOM 0 H GLN A 41 3.130 13.095 -5.231 1.00 0.00 H new ATOM 0 HA GLN A 41 1.149 13.714 -7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.304 11.402 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.986 12.037 -4.773 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.222 12.928 -5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.903 12.337 -7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.194 11.406 -5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.953 9.708 -5.370 1.00 0.00 H new ATOM 624 N ASN A 42 -0.282 15.346 -6.126 1.00 0.00 N ATOM 625 CA ASN A 42 -1.007 16.454 -5.508 1.00 0.00 C ATOM 626 C ASN A 42 -1.474 16.093 -4.092 1.00 0.00 C ATOM 627 O ASN A 42 -1.659 14.916 -3.780 1.00 0.00 O ATOM 628 CB ASN A 42 -2.221 16.818 -6.378 1.00 0.00 C ATOM 629 CG ASN A 42 -2.818 15.554 -6.982 1.00 0.00 C ATOM 630 OD1 ASN A 42 -2.994 14.554 -6.286 1.00 0.00 O ATOM 631 ND2 ASN A 42 -3.141 15.539 -8.247 1.00 0.00 N ATOM 0 H ASN A 42 -0.571 15.135 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.333 17.307 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.970 17.334 -5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.920 17.504 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.541 14.697 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.994 16.369 -8.821 1.00 0.00 H new ATOM 638 N PRO A 43 -1.690 17.073 -3.237 1.00 0.00 N ATOM 639 CA PRO A 43 -2.167 16.821 -1.847 1.00 0.00 C ATOM 640 C PRO A 43 -3.342 15.838 -1.807 1.00 0.00 C ATOM 641 O PRO A 43 -4.373 16.061 -2.443 1.00 0.00 O ATOM 642 CB PRO A 43 -2.599 18.215 -1.350 1.00 0.00 C ATOM 643 CG PRO A 43 -1.802 19.194 -2.158 1.00 0.00 C ATOM 644 CD PRO A 43 -1.486 18.515 -3.496 1.00 0.00 C ATOM 0 HA PRO A 43 -1.396 16.363 -1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.669 18.368 -1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.399 18.331 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.365 20.114 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.884 19.467 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.144 18.873 -4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.464 18.720 -3.814 1.00 0.00 H new ATOM 652 N THR A 44 -3.175 14.760 -1.047 1.00 0.00 N ATOM 653 CA THR A 44 -4.221 13.748 -0.920 1.00 0.00 C ATOM 654 C THR A 44 -3.901 12.803 0.240 1.00 0.00 C ATOM 655 O THR A 44 -4.473 11.720 0.346 1.00 0.00 O ATOM 656 CB THR A 44 -4.354 12.959 -2.249 1.00 0.00 C ATOM 657 OG1 THR A 44 -3.353 13.401 -3.153 1.00 0.00 O ATOM 658 CG2 THR A 44 -5.735 13.193 -2.876 1.00 0.00 C ATOM 0 H THR A 44 -2.329 14.564 -0.511 1.00 0.00 H new ATOM 0 HA THR A 44 -5.171 14.239 -0.710 1.00 0.00 H new ATOM 0 HB THR A 44 -4.235 11.895 -2.043 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.431 12.906 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.811 12.632 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.509 12.858 -2.186 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.866 14.256 -3.080 1.00 0.00 H new ATOM 666 N GLU A 45 -2.990 13.229 1.104 1.00 0.00 N ATOM 667 CA GLU A 45 -2.604 12.425 2.255 1.00 0.00 C ATOM 668 C GLU A 45 -3.740 12.378 3.275 1.00 0.00 C ATOM 669 O GLU A 45 -3.748 11.541 4.177 1.00 0.00 O ATOM 670 CB GLU A 45 -1.339 13.007 2.896 1.00 0.00 C ATOM 671 CG GLU A 45 -1.613 14.434 3.383 1.00 0.00 C ATOM 672 CD GLU A 45 -0.362 15.012 4.038 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.724 14.706 3.574 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.510 15.743 5.004 1.00 0.00 O ATOM 0 H GLU A 45 -2.506 14.124 1.030 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.397 11.408 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.023 12.382 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.523 13.010 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.917 15.061 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.438 14.432 4.095 1.00 0.00 H new ATOM 681 N ALA A 46 -4.705 13.277 3.111 1.00 0.00 N ATOM 682 CA ALA A 46 -5.854 13.329 4.010 1.00 0.00 C ATOM 683 C ALA A 46 -6.779 12.142 3.754 1.00 0.00 C ATOM 684 O ALA A 46 -7.274 11.504 4.684 1.00 0.00 O ATOM 685 CB ALA A 46 -6.616 14.638 3.799 1.00 0.00 C ATOM 0 H ALA A 46 -4.715 13.976 2.368 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.500 13.281 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.473 14.673 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.957 15.481 4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.963 14.695 2.767 1.00 0.00 H new ATOM 691 N GLU A 47 -7.007 11.856 2.477 1.00 0.00 N ATOM 692 CA GLU A 47 -7.871 10.750 2.086 1.00 0.00 C ATOM 693 C GLU A 47 -7.368 9.461 2.726 1.00 0.00 C ATOM 694 O GLU A 47 -8.148 8.686 3.280 1.00 0.00 O ATOM 695 CB GLU A 47 -7.860 10.622 0.556 1.00 0.00 C ATOM 696 CG GLU A 47 -8.842 9.541 0.089 1.00 0.00 C ATOM 697 CD GLU A 47 -10.281 9.974 0.365 1.00 0.00 C ATOM 698 OE1 GLU A 47 -10.499 11.160 0.538 1.00 0.00 O ATOM 699 OE2 GLU A 47 -11.142 9.109 0.390 1.00 0.00 O ATOM 0 H GLU A 47 -6.606 12.375 1.696 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.890 10.936 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.125 11.578 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.854 10.377 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.709 9.356 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.632 8.603 0.604 1.00 0.00 H new ATOM 706 N LEU A 48 -6.059 9.242 2.645 1.00 0.00 N ATOM 707 CA LEU A 48 -5.459 8.048 3.226 1.00 0.00 C ATOM 708 C LEU A 48 -5.636 8.037 4.743 1.00 0.00 C ATOM 709 O LEU A 48 -6.023 7.027 5.327 1.00 0.00 O ATOM 710 CB LEU A 48 -3.964 8.004 2.882 1.00 0.00 C ATOM 711 CG LEU A 48 -3.765 7.514 1.436 1.00 0.00 C ATOM 712 CD1 LEU A 48 -4.178 6.035 1.290 1.00 0.00 C ATOM 713 CD2 LEU A 48 -4.602 8.382 0.487 1.00 0.00 C ATOM 0 H LEU A 48 -5.399 9.870 2.187 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.958 7.172 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.527 8.995 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.444 7.341 3.573 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.708 7.598 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.027 5.715 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.570 5.420 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.229 5.923 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.464 8.038 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.655 8.304 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.282 9.421 0.567 1.00 0.00 H new ATOM 725 N GLN A 49 -5.339 9.169 5.372 1.00 0.00 N ATOM 726 CA GLN A 49 -5.450 9.278 6.824 1.00 0.00 C ATOM 727 C GLN A 49 -6.796 8.743 7.305 1.00 0.00 C ATOM 728 O GLN A 49 -6.863 7.967 8.261 1.00 0.00 O ATOM 729 CB GLN A 49 -5.311 10.754 7.234 1.00 0.00 C ATOM 730 CG GLN A 49 -3.837 11.161 7.247 1.00 0.00 C ATOM 731 CD GLN A 49 -3.709 12.678 7.313 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.785 13.416 7.336 1.00 0.00 O flip ATOM 733 NE2 GLN A 49 -2.596 13.206 7.352 1.00 0.00 N flip ATOM 0 H GLN A 49 -5.022 10.018 4.905 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.657 8.686 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.864 11.386 6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.747 10.908 8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.335 10.709 8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.341 10.786 6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.756 12.627 7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.515 14.222 7.402 1.00 0.00 H new ATOM 742 N ASP A 50 -7.858 9.162 6.637 1.00 0.00 N ATOM 743 CA ASP A 50 -9.198 8.724 7.002 1.00 0.00 C ATOM 744 C ASP A 50 -9.409 7.249 6.663 1.00 0.00 C ATOM 745 O ASP A 50 -10.087 6.528 7.394 1.00 0.00 O ATOM 746 CB ASP A 50 -10.233 9.579 6.268 1.00 0.00 C ATOM 747 CG ASP A 50 -11.600 9.447 6.936 1.00 0.00 C ATOM 748 OD1 ASP A 50 -11.663 9.600 8.146 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.564 9.207 6.227 1.00 0.00 O ATOM 0 H ASP A 50 -7.821 9.801 5.843 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.317 8.844 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.919 10.623 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.299 9.267 5.226 1.00 0.00 H new ATOM 754 N MET A 51 -8.832 6.805 5.547 1.00 0.00 N ATOM 755 CA MET A 51 -8.975 5.413 5.128 1.00 0.00 C ATOM 756 C MET A 51 -8.249 4.473 6.086 1.00 0.00 C ATOM 757 O MET A 51 -8.774 3.427 6.453 1.00 0.00 O ATOM 758 CB MET A 51 -8.408 5.237 3.718 1.00 0.00 C ATOM 759 CG MET A 51 -9.367 5.850 2.695 1.00 0.00 C ATOM 760 SD MET A 51 -10.868 4.845 2.598 1.00 0.00 S ATOM 761 CE MET A 51 -11.973 6.131 1.969 1.00 0.00 C ATOM 0 H MET A 51 -8.267 7.382 4.924 1.00 0.00 H new ATOM 0 HA MET A 51 -10.036 5.164 5.136 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.431 5.715 3.646 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.261 4.178 3.504 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.618 6.871 2.982 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.888 5.903 1.717 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.973 5.718 1.834 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.014 6.955 2.681 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.599 6.496 1.012 1.00 0.00 H new ATOM 771 N ILE A 52 -7.039 4.852 6.485 1.00 0.00 N ATOM 772 CA ILE A 52 -6.262 4.020 7.392 1.00 0.00 C ATOM 773 C ILE A 52 -6.998 3.886 8.722 1.00 0.00 C ATOM 774 O ILE A 52 -7.079 2.799 9.294 1.00 0.00 O ATOM 775 CB ILE A 52 -4.863 4.628 7.608 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.084 4.553 6.281 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.103 3.842 8.697 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.617 4.946 6.492 1.00 0.00 C ATOM 0 H ILE A 52 -6.582 5.718 6.199 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.140 3.029 6.954 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.961 5.665 7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.141 3.542 5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.542 5.216 5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.116 4.281 8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.660 3.886 9.633 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.996 2.802 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.084 4.886 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.565 5.965 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.158 4.266 7.209 1.00 0.00 H new ATOM 790 N ASN A 53 -7.532 5.001 9.204 1.00 0.00 N ATOM 791 CA ASN A 53 -8.263 5.011 10.465 1.00 0.00 C ATOM 792 C ASN A 53 -9.529 4.157 10.373 1.00 0.00 C ATOM 793 O ASN A 53 -9.934 3.525 11.348 1.00 0.00 O ATOM 794 CB ASN A 53 -8.629 6.452 10.837 1.00 0.00 C ATOM 795 CG ASN A 53 -8.940 6.559 12.327 1.00 0.00 C ATOM 796 OD1 ASN A 53 -8.318 5.879 13.144 1.00 0.00 O ATOM 797 ND2 ASN A 53 -9.871 7.381 12.731 1.00 0.00 N ATOM 0 H ASN A 53 -7.473 5.909 8.742 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.623 4.586 11.238 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.805 7.119 10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.492 6.775 10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.084 7.461 13.725 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.385 7.943 12.052 1.00 0.00 H new ATOM 804 N GLU A 54 -10.163 4.166 9.202 1.00 0.00 N ATOM 805 CA GLU A 54 -11.396 3.404 9.001 1.00 0.00 C ATOM 806 C GLU A 54 -11.126 1.899 8.894 1.00 0.00 C ATOM 807 O GLU A 54 -11.713 1.103 9.625 1.00 0.00 O ATOM 808 CB GLU A 54 -12.105 3.888 7.728 1.00 0.00 C ATOM 809 CG GLU A 54 -13.464 3.192 7.595 1.00 0.00 C ATOM 810 CD GLU A 54 -14.199 3.698 6.356 1.00 0.00 C ATOM 811 OE1 GLU A 54 -13.571 4.358 5.543 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.379 3.414 6.238 1.00 0.00 O ATOM 0 H GLU A 54 -9.848 4.687 8.384 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.032 3.571 9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.242 4.969 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.489 3.674 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.323 2.113 7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.065 3.380 8.485 1.00 0.00 H new ATOM 819 N VAL A 55 -10.253 1.516 7.964 1.00 0.00 N ATOM 820 CA VAL A 55 -9.939 0.103 7.748 1.00 0.00 C ATOM 821 C VAL A 55 -9.270 -0.528 8.974 1.00 0.00 C ATOM 822 O VAL A 55 -9.267 -1.749 9.120 1.00 0.00 O ATOM 823 CB VAL A 55 -9.032 -0.057 6.519 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.677 0.632 5.312 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.659 0.566 6.802 1.00 0.00 C ATOM 0 H VAL A 55 -9.753 2.159 7.351 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.881 -0.418 7.577 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.903 -1.117 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.032 0.518 4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.646 0.177 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.812 1.692 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.019 0.450 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.779 1.626 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.201 0.065 7.655 1.00 0.00 H new ATOM 835 N ASP A 56 -8.703 0.298 9.849 1.00 0.00 N ATOM 836 CA ASP A 56 -8.036 -0.222 11.043 1.00 0.00 C ATOM 837 C ASP A 56 -8.973 -1.153 11.817 1.00 0.00 C ATOM 838 O ASP A 56 -10.155 -0.861 11.989 1.00 0.00 O ATOM 839 CB ASP A 56 -7.592 0.935 11.936 1.00 0.00 C ATOM 840 CG ASP A 56 -6.710 0.413 13.065 1.00 0.00 C ATOM 841 OD1 ASP A 56 -5.519 0.277 12.844 1.00 0.00 O ATOM 842 OD2 ASP A 56 -7.236 0.171 14.137 1.00 0.00 O ATOM 0 H ASP A 56 -8.690 1.314 9.759 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.159 -0.791 10.734 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.045 1.671 11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.464 1.442 12.349 1.00 0.00 H new ATOM 847 N ALA A 57 -8.431 -2.288 12.259 1.00 0.00 N ATOM 848 CA ALA A 57 -9.216 -3.282 12.992 1.00 0.00 C ATOM 849 C ALA A 57 -9.624 -2.793 14.385 1.00 0.00 C ATOM 850 O ALA A 57 -10.768 -2.977 14.798 1.00 0.00 O ATOM 851 CB ALA A 57 -8.411 -4.578 13.126 1.00 0.00 C ATOM 0 H ALA A 57 -7.453 -2.542 12.123 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.129 -3.457 12.423 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.998 -5.316 13.672 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.175 -4.964 12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.486 -4.378 13.667 1.00 0.00 H new ATOM 857 N ASP A 58 -8.683 -2.195 15.118 1.00 0.00 N ATOM 858 CA ASP A 58 -8.965 -1.711 16.477 1.00 0.00 C ATOM 859 C ASP A 58 -9.198 -0.201 16.498 1.00 0.00 C ATOM 860 O ASP A 58 -9.268 0.405 17.568 1.00 0.00 O ATOM 861 CB ASP A 58 -7.786 -2.059 17.388 1.00 0.00 C ATOM 862 CG ASP A 58 -8.149 -1.777 18.845 1.00 0.00 C ATOM 863 OD1 ASP A 58 -9.320 -1.575 19.114 1.00 0.00 O ATOM 864 OD2 ASP A 58 -7.248 -1.774 19.670 1.00 0.00 O ATOM 0 H ASP A 58 -7.727 -2.034 14.800 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.875 -2.196 16.831 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.521 -3.109 17.268 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.911 -1.475 17.103 1.00 0.00 H new ATOM 869 N GLY A 59 -9.306 0.404 15.320 1.00 0.00 N ATOM 870 CA GLY A 59 -9.519 1.847 15.240 1.00 0.00 C ATOM 871 C GLY A 59 -8.339 2.583 15.864 1.00 0.00 C ATOM 872 O GLY A 59 -8.449 3.745 16.258 1.00 0.00 O ATOM 0 H GLY A 59 -9.251 -0.072 14.420 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.637 2.148 14.199 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.440 2.116 15.756 1.00 0.00 H new ATOM 876 N ASN A 60 -7.211 1.881 15.959 1.00 0.00 N ATOM 877 CA ASN A 60 -5.996 2.441 16.544 1.00 0.00 C ATOM 878 C ASN A 60 -5.134 3.096 15.467 1.00 0.00 C ATOM 879 O ASN A 60 -4.256 3.907 15.767 1.00 0.00 O ATOM 880 CB ASN A 60 -5.221 1.316 17.240 1.00 0.00 C ATOM 881 CG ASN A 60 -4.029 1.879 18.007 1.00 0.00 C ATOM 882 OD1 ASN A 60 -2.884 1.703 17.591 1.00 0.00 O ATOM 883 ND2 ASN A 60 -4.231 2.539 19.116 1.00 0.00 N ATOM 0 H ASN A 60 -7.114 0.918 15.636 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.261 3.209 17.271 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.881 0.782 17.924 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.876 0.593 16.500 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.439 2.910 19.640 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.181 2.683 19.458 1.00 0.00 H new ATOM 890 N GLY A 61 -5.394 2.731 14.212 1.00 0.00 N ATOM 891 CA GLY A 61 -4.641 3.270 13.081 1.00 0.00 C ATOM 892 C GLY A 61 -3.456 2.378 12.799 1.00 0.00 C ATOM 893 O GLY A 61 -3.006 1.708 13.715 1.00 0.00 O ATOM 0 H GLY A 61 -6.121 2.064 13.953 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.281 3.333 12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.304 4.282 13.303 1.00 0.00 H new ATOM 897 N THR A 62 -2.966 2.389 11.542 1.00 0.00 N ATOM 898 CA THR A 62 -1.817 1.587 11.110 1.00 0.00 C ATOM 899 C THR A 62 -2.272 0.339 10.369 1.00 0.00 C ATOM 900 O THR A 62 -3.262 -0.287 10.742 1.00 0.00 O ATOM 901 CB THR A 62 -0.912 1.220 12.287 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.588 0.311 13.151 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.520 2.505 13.064 1.00 0.00 C ATOM 0 H THR A 62 -3.364 2.961 10.797 1.00 0.00 H new ATOM 0 HA THR A 62 -1.232 2.199 10.423 1.00 0.00 H new ATOM 0 HB THR A 62 -0.007 0.742 11.912 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.214 0.805 13.721 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.125 2.241 13.902 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.011 3.185 12.398 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.420 2.993 13.438 1.00 0.00 H new ATOM 911 N ILE A 63 -1.540 -0.017 9.306 1.00 0.00 N ATOM 912 CA ILE A 63 -1.880 -1.200 8.502 1.00 0.00 C ATOM 913 C ILE A 63 -0.821 -2.279 8.672 1.00 0.00 C ATOM 914 O ILE A 63 0.378 -2.002 8.643 1.00 0.00 O ATOM 915 CB ILE A 63 -1.973 -0.830 7.023 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.886 0.387 6.848 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.540 -2.013 6.237 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.236 0.149 7.531 1.00 0.00 C ATOM 0 H ILE A 63 -0.716 0.491 8.984 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.844 -1.576 8.846 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.978 -0.587 6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.409 1.271 7.271 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.039 0.585 5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.607 -1.750 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.885 -2.876 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.533 -2.257 6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.871 1.024 7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.719 -0.722 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.079 -0.025 8.596 1.00 0.00 H new ATOM 930 N ASP A 64 -1.273 -3.515 8.864 1.00 0.00 N ATOM 931 CA ASP A 64 -0.361 -4.643 9.053 1.00 0.00 C ATOM 932 C ASP A 64 -0.190 -5.434 7.753 1.00 0.00 C ATOM 933 O ASP A 64 -0.855 -5.166 6.753 1.00 0.00 O ATOM 934 CB ASP A 64 -0.899 -5.555 10.153 1.00 0.00 C ATOM 935 CG ASP A 64 -1.239 -4.734 11.391 1.00 0.00 C ATOM 936 OD1 ASP A 64 -0.407 -3.940 11.795 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.328 -4.907 11.913 1.00 0.00 O ATOM 0 H ASP A 64 -2.262 -3.762 8.893 1.00 0.00 H new ATOM 0 HA ASP A 64 0.615 -4.256 9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.786 -6.080 9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.158 -6.314 10.402 1.00 0.00 H new ATOM 942 N PHE A 65 0.719 -6.403 7.789 1.00 0.00 N ATOM 943 CA PHE A 65 1.009 -7.249 6.633 1.00 0.00 C ATOM 944 C PHE A 65 -0.261 -7.914 6.057 1.00 0.00 C ATOM 945 O PHE A 65 -0.525 -7.825 4.850 1.00 0.00 O ATOM 946 CB PHE A 65 2.049 -8.340 7.017 1.00 0.00 C ATOM 947 CG PHE A 65 2.787 -7.923 8.270 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.563 -6.767 8.245 1.00 0.00 C ATOM 949 CD2 PHE A 65 2.701 -8.688 9.446 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.261 -6.366 9.384 1.00 0.00 C ATOM 951 CE2 PHE A 65 3.403 -8.286 10.591 1.00 0.00 C ATOM 952 CZ PHE A 65 4.183 -7.125 10.558 1.00 0.00 C ATOM 0 H PHE A 65 1.274 -6.625 8.616 1.00 0.00 H new ATOM 0 HA PHE A 65 1.420 -6.603 5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.547 -9.294 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.755 -8.487 6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.625 -6.179 7.341 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.096 -9.582 9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.862 -5.469 9.360 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.342 -8.871 11.497 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.725 -6.814 11.439 1.00 0.00 H new ATOM 962 N PRO A 66 -1.031 -8.604 6.879 1.00 0.00 N ATOM 963 CA PRO A 66 -2.257 -9.323 6.409 1.00 0.00 C ATOM 964 C PRO A 66 -3.318 -8.382 5.840 1.00 0.00 C ATOM 965 O PRO A 66 -3.831 -8.595 4.742 1.00 0.00 O ATOM 966 CB PRO A 66 -2.768 -10.047 7.676 1.00 0.00 C ATOM 967 CG PRO A 66 -2.164 -9.315 8.831 1.00 0.00 C ATOM 968 CD PRO A 66 -0.838 -8.764 8.338 1.00 0.00 C ATOM 0 HA PRO A 66 -2.034 -10.002 5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.857 -10.027 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.468 -11.095 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.819 -8.511 9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.017 -9.982 9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.600 -7.813 8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.017 -9.446 8.559 1.00 0.00 H new ATOM 976 N GLU A 67 -3.648 -7.354 6.607 1.00 0.00 N ATOM 977 CA GLU A 67 -4.662 -6.396 6.190 1.00 0.00 C ATOM 978 C GLU A 67 -4.261 -5.736 4.881 1.00 0.00 C ATOM 979 O GLU A 67 -5.101 -5.500 4.013 1.00 0.00 O ATOM 980 CB GLU A 67 -4.829 -5.325 7.268 1.00 0.00 C ATOM 981 CG GLU A 67 -5.287 -5.986 8.566 1.00 0.00 C ATOM 982 CD GLU A 67 -6.698 -6.539 8.402 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.379 -6.108 7.488 1.00 0.00 O ATOM 984 OE2 GLU A 67 -7.075 -7.392 9.190 1.00 0.00 O ATOM 0 H GLU A 67 -3.231 -7.162 7.518 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.605 -6.924 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.886 -4.801 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.558 -4.581 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.602 -6.790 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.264 -5.262 9.380 1.00 0.00 H new ATOM 991 N PHE A 68 -2.971 -5.445 4.746 1.00 0.00 N ATOM 992 CA PHE A 68 -2.469 -4.819 3.533 1.00 0.00 C ATOM 993 C PHE A 68 -2.782 -5.700 2.323 1.00 0.00 C ATOM 994 O PHE A 68 -3.286 -5.234 1.299 1.00 0.00 O ATOM 995 CB PHE A 68 -0.956 -4.615 3.643 1.00 0.00 C ATOM 996 CG PHE A 68 -0.417 -4.142 2.314 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.175 -5.072 1.297 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.175 -2.782 2.094 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.315 -4.648 0.061 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.315 -2.356 0.851 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.560 -3.293 -0.164 1.00 0.00 C ATOM 0 H PHE A 68 -2.262 -5.631 5.455 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.955 -3.852 3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.732 -3.884 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.472 -5.548 3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.368 -6.121 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.365 -2.063 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.504 -5.368 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.504 -1.307 0.675 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.939 -2.965 -1.121 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.478 -6.985 2.450 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.733 -7.914 1.361 1.00 0.00 C ATOM 1013 C LEU A 69 -4.225 -7.974 1.034 1.00 0.00 C ATOM 1014 O LEU A 69 -4.615 -7.902 -0.127 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.227 -9.303 1.771 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.714 -10.389 0.769 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -1.590 -11.399 0.516 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.927 -11.144 1.344 1.00 0.00 C ATOM 0 H LEU A 69 -2.061 -7.401 3.283 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.209 -7.574 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.138 -9.301 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.581 -9.542 2.774 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.997 -9.896 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.934 -12.158 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.725 -10.884 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.310 -11.875 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.256 -11.900 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.645 -11.626 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.739 -10.441 1.528 1.00 0.00 H new ATOM 1030 N THR A 70 -5.052 -8.131 2.055 1.00 0.00 N ATOM 1031 CA THR A 70 -6.491 -8.233 1.841 1.00 0.00 C ATOM 1032 C THR A 70 -7.042 -7.005 1.121 1.00 0.00 C ATOM 1033 O THR A 70 -7.776 -7.134 0.142 1.00 0.00 O ATOM 1034 CB THR A 70 -7.190 -8.370 3.193 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.574 -9.409 3.940 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.676 -8.691 2.990 1.00 0.00 C ATOM 0 H THR A 70 -4.759 -8.190 3.030 1.00 0.00 H new ATOM 0 HA THR A 70 -6.678 -9.107 1.217 1.00 0.00 H new ATOM 0 HB THR A 70 -7.104 -7.429 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.739 -9.079 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.163 -8.786 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.148 -7.888 2.424 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.774 -9.628 2.441 1.00 0.00 H new ATOM 1044 N MET A 71 -6.706 -5.819 1.611 1.00 0.00 N ATOM 1045 CA MET A 71 -7.210 -4.598 0.994 1.00 0.00 C ATOM 1046 C MET A 71 -6.692 -4.428 -0.430 1.00 0.00 C ATOM 1047 O MET A 71 -7.301 -3.724 -1.234 1.00 0.00 O ATOM 1048 CB MET A 71 -6.850 -3.377 1.846 1.00 0.00 C ATOM 1049 CG MET A 71 -5.343 -3.113 1.799 1.00 0.00 C ATOM 1050 SD MET A 71 -4.974 -1.535 2.605 1.00 0.00 S ATOM 1051 CE MET A 71 -5.317 -2.050 4.302 1.00 0.00 C ATOM 0 H MET A 71 -6.099 -5.676 2.418 1.00 0.00 H new ATOM 0 HA MET A 71 -8.295 -4.682 0.940 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.389 -2.502 1.484 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.164 -3.541 2.877 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.807 -3.921 2.297 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.000 -3.093 0.765 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.950 -1.291 4.994 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.392 -2.173 4.435 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.816 -2.997 4.503 1.00 0.00 H new ATOM 1061 N MET A 72 -5.572 -5.077 -0.751 1.00 0.00 N ATOM 1062 CA MET A 72 -5.014 -4.982 -2.106 1.00 0.00 C ATOM 1063 C MET A 72 -5.667 -6.018 -3.037 1.00 0.00 C ATOM 1064 O MET A 72 -5.731 -5.830 -4.251 1.00 0.00 O ATOM 1065 CB MET A 72 -3.479 -5.153 -2.040 1.00 0.00 C ATOM 1066 CG MET A 72 -3.039 -6.539 -2.524 1.00 0.00 C ATOM 1067 SD MET A 72 -3.061 -6.570 -4.333 1.00 0.00 S ATOM 1068 CE MET A 72 -1.700 -7.737 -4.553 1.00 0.00 C ATOM 0 H MET A 72 -5.040 -5.664 -0.108 1.00 0.00 H new ATOM 0 HA MET A 72 -5.232 -3.999 -2.523 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.001 -4.386 -2.650 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.140 -5.001 -1.015 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.038 -6.765 -2.156 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.705 -7.305 -2.127 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.535 -7.907 -5.617 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.794 -7.328 -4.106 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.949 -8.681 -4.069 1.00 0.00 H new ATOM 1078 N ALA A 73 -6.106 -7.126 -2.445 1.00 0.00 N ATOM 1079 CA ALA A 73 -6.720 -8.215 -3.204 1.00 0.00 C ATOM 1080 C ALA A 73 -8.197 -7.950 -3.462 1.00 0.00 C ATOM 1081 O ALA A 73 -8.979 -8.882 -3.656 1.00 0.00 O ATOM 1082 CB ALA A 73 -6.579 -9.521 -2.426 1.00 0.00 C ATOM 0 H ALA A 73 -6.048 -7.295 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.208 -8.286 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.037 -10.333 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.523 -9.739 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.077 -9.425 -1.461 1.00 0.00 H new ATOM 1088 N ARG A 74 -8.572 -6.681 -3.461 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.958 -6.301 -3.692 1.00 0.00 C ATOM 1090 C ARG A 74 -10.299 -6.389 -5.178 1.00 0.00 C ATOM 1091 O ARG A 74 -11.433 -6.133 -5.585 1.00 0.00 O ATOM 1092 CB ARG A 74 -10.195 -4.880 -3.173 1.00 0.00 C ATOM 1093 CG ARG A 74 -10.030 -4.870 -1.649 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.155 -3.440 -1.126 1.00 0.00 C ATOM 1095 NE ARG A 74 -11.503 -2.928 -1.360 1.00 0.00 N ATOM 1096 CZ ARG A 74 -11.837 -1.680 -1.035 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -10.960 -0.888 -0.471 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -13.048 -1.244 -1.268 1.00 0.00 N ATOM 0 H ARG A 74 -7.938 -5.897 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.608 -6.991 -3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.488 -4.189 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.195 -4.542 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.787 -5.504 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.059 -5.284 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.930 -3.415 -0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.425 -2.800 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.203 -3.539 -1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.017 -1.226 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.220 0.067 -0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.738 -1.860 -1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.303 -0.288 -1.019 1.00 0.00 H new ATOM 1112 N LYS A 75 -9.304 -6.762 -5.984 1.00 0.00 N ATOM 1113 CA LYS A 75 -9.492 -6.894 -7.433 1.00 0.00 C ATOM 1114 C LYS A 75 -9.957 -8.310 -7.787 1.00 0.00 C ATOM 1115 O LYS A 75 -9.626 -8.836 -8.852 1.00 0.00 O ATOM 1116 CB LYS A 75 -8.174 -6.575 -8.159 1.00 0.00 C ATOM 1117 CG LYS A 75 -8.453 -6.181 -9.618 1.00 0.00 C ATOM 1118 CD LYS A 75 -7.152 -5.730 -10.288 1.00 0.00 C ATOM 1119 CE LYS A 75 -7.430 -5.367 -11.750 1.00 0.00 C ATOM 1120 NZ LYS A 75 -6.171 -4.909 -12.399 1.00 0.00 N ATOM 0 H LYS A 75 -8.361 -6.978 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.259 -6.189 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.656 -5.763 -7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.515 -7.442 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.878 -7.027 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.189 -5.378 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.738 -4.870 -9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.408 -6.525 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.831 -6.231 -12.280 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.185 -4.582 -11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.362 -4.663 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.807 -4.073 -11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.464 -5.671 -12.361 1.00 0.00 H new ATOM 1134 N MET A 76 -10.728 -8.919 -6.886 1.00 0.00 N ATOM 1135 CA MET A 76 -11.238 -10.263 -7.103 1.00 0.00 C ATOM 1136 C MET A 76 -10.119 -11.193 -7.561 1.00 0.00 C ATOM 1137 O MET A 76 -9.453 -11.833 -6.747 1.00 0.00 O ATOM 1138 CB MET A 76 -12.334 -10.235 -8.170 1.00 0.00 C ATOM 1139 CG MET A 76 -13.571 -9.499 -7.641 1.00 0.00 C ATOM 1140 SD MET A 76 -14.873 -9.517 -8.906 1.00 0.00 S ATOM 1141 CE MET A 76 -14.112 -8.355 -10.071 1.00 0.00 C ATOM 0 H MET A 76 -11.010 -8.499 -6.001 1.00 0.00 H new ATOM 0 HA MET A 76 -11.646 -10.632 -6.162 1.00 0.00 H new ATOM 0 HB2 MET A 76 -11.964 -9.740 -9.068 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.601 -11.253 -8.454 1.00 0.00 H new ATOM 0 HG2 MET A 76 -13.929 -9.976 -6.729 1.00 0.00 H new ATOM 0 HG3 MET A 76 -13.314 -8.472 -7.383 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.884 -7.912 -10.699 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.599 -7.569 -9.518 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.395 -8.885 -10.697 1.00 0.00 H new ATOM 1151 N LYS A 77 -9.924 -11.254 -8.874 1.00 0.00 N ATOM 1152 CA LYS A 77 -8.888 -12.099 -9.453 1.00 0.00 C ATOM 1153 C LYS A 77 -7.514 -11.453 -9.281 1.00 0.00 C ATOM 1154 O LYS A 77 -6.647 -11.717 -10.099 1.00 0.00 O ATOM 1155 CB LYS A 77 -9.190 -12.322 -10.941 1.00 0.00 C ATOM 1156 CG LYS A 77 -9.249 -10.968 -11.668 1.00 0.00 C ATOM 1157 CD LYS A 77 -9.592 -11.187 -13.147 1.00 0.00 C ATOM 1158 CE LYS A 77 -9.687 -9.834 -13.868 1.00 0.00 C ATOM 1159 NZ LYS A 77 -8.365 -9.142 -13.819 1.00 0.00 N ATOM 1160 OXT LYS A 77 -7.347 -10.705 -8.331 1.00 0.00 O ATOM 0 H LYS A 77 -10.470 -10.728 -9.556 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.878 -13.060 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.421 -12.952 -11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.138 -12.848 -11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.998 -10.327 -11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.291 -10.455 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.829 -11.807 -13.618 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.537 -11.723 -13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.991 -9.984 -14.904 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.450 -9.214 -13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.342 -8.386 -14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.223 -8.731 -12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.607 -9.827 -14.016 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -18.377 1.429 -5.152 1.00 0.00 N ATOM 1176 CA GLY B 45 -17.000 1.761 -5.612 1.00 0.00 C ATOM 1177 C GLY B 45 -16.389 2.799 -4.678 1.00 0.00 C ATOM 1178 O GLY B 45 -17.079 3.698 -4.199 1.00 0.00 O ATOM 0 HA2 GLY B 45 -16.384 0.862 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -17.028 2.145 -6.632 1.00 0.00 H new ATOM 1184 N THR B 46 -15.085 2.679 -4.424 1.00 0.00 N ATOM 1185 CA THR B 46 -14.384 3.623 -3.546 1.00 0.00 C ATOM 1186 C THR B 46 -13.072 4.069 -4.186 1.00 0.00 C ATOM 1187 O THR B 46 -12.562 3.423 -5.102 1.00 0.00 O ATOM 1188 CB THR B 46 -14.089 2.978 -2.185 1.00 0.00 C ATOM 1189 OG1 THR B 46 -13.204 1.881 -2.361 1.00 0.00 O ATOM 1190 CG2 THR B 46 -15.391 2.490 -1.538 1.00 0.00 C ATOM 0 H THR B 46 -14.494 1.943 -4.810 1.00 0.00 H new ATOM 0 HA THR B 46 -15.029 4.489 -3.399 1.00 0.00 H new ATOM 0 HB THR B 46 -13.626 3.719 -1.534 1.00 0.00 H new ATOM 0 HG1 THR B 46 -12.767 1.673 -1.509 1.00 0.00 H new ATOM 0 HG21 THR B 46 -15.169 2.034 -0.573 1.00 0.00 H new ATOM 0 HG22 THR B 46 -16.065 3.335 -1.394 1.00 0.00 H new ATOM 0 HG23 THR B 46 -15.866 1.754 -2.186 1.00 0.00 H new ATOM 1198 N GLY B 47 -12.531 5.182 -3.696 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.275 5.717 -4.218 1.00 0.00 C ATOM 1200 C GLY B 47 -10.081 5.123 -3.472 1.00 0.00 C ATOM 1201 O GLY B 47 -8.935 5.244 -3.907 1.00 0.00 O ATOM 0 H GLY B 47 -12.941 5.730 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -11.193 5.493 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -11.268 6.803 -4.119 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.367 4.497 -2.337 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.334 3.895 -1.499 1.00 0.00 C ATOM 1207 C ALA B 48 -8.555 2.799 -2.239 1.00 0.00 C ATOM 1208 O ALA B 48 -7.325 2.746 -2.167 1.00 0.00 O ATOM 1209 CB ALA B 48 -9.994 3.307 -0.247 1.00 0.00 C ATOM 0 H ALA B 48 -11.314 4.392 -1.972 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.619 4.672 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.232 2.854 0.387 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.500 4.100 0.304 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.720 2.548 -0.540 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.272 1.921 -2.939 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.630 0.828 -3.671 1.00 0.00 C ATOM 1217 C ALA B 49 -7.705 1.367 -4.759 1.00 0.00 C ATOM 1218 O ALA B 49 -6.595 0.868 -4.950 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.700 -0.062 -4.304 1.00 0.00 C ATOM 0 H ALA B 49 -10.289 1.943 -3.015 1.00 0.00 H new ATOM 0 HA ALA B 49 -8.033 0.247 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.221 -0.875 -4.849 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.339 -0.475 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.304 0.529 -4.992 1.00 0.00 H new ATOM 1225 N LEU B 50 -8.171 2.388 -5.466 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.383 2.997 -6.533 1.00 0.00 C ATOM 1227 C LEU B 50 -6.115 3.621 -5.962 1.00 0.00 C ATOM 1228 O LEU B 50 -5.038 3.521 -6.552 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.219 4.069 -7.242 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.405 4.742 -8.361 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -6.944 3.691 -9.386 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -8.280 5.790 -9.058 1.00 0.00 C ATOM 0 H LEU B 50 -9.087 2.812 -5.322 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.101 2.226 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.118 3.618 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.545 4.819 -6.521 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.527 5.221 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -6.369 4.178 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -6.321 2.947 -8.889 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -7.815 3.202 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.709 6.271 -9.852 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.158 5.305 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.596 6.540 -8.333 1.00 0.00 H new ATOM 1244 N SER B 51 -6.259 4.272 -4.815 1.00 0.00 N ATOM 1245 CA SER B 51 -5.132 4.923 -4.164 1.00 0.00 C ATOM 1246 C SER B 51 -4.039 3.910 -3.856 1.00 0.00 C ATOM 1247 O SER B 51 -2.857 4.153 -4.105 1.00 0.00 O ATOM 1248 CB SER B 51 -5.611 5.565 -2.862 1.00 0.00 C ATOM 1249 OG SER B 51 -6.589 6.549 -3.162 1.00 0.00 O ATOM 0 H SER B 51 -7.145 4.363 -4.317 1.00 0.00 H new ATOM 0 HA SER B 51 -4.726 5.684 -4.830 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.031 4.807 -2.201 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.771 6.018 -2.335 1.00 0.00 H new ATOM 0 HG SER B 51 -7.428 6.110 -3.413 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.450 2.769 -3.323 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.513 1.712 -2.987 1.00 0.00 C ATOM 1257 C TRP B 52 -2.840 1.171 -4.252 1.00 0.00 C ATOM 1258 O TRP B 52 -1.623 0.979 -4.285 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.256 0.582 -2.257 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.442 0.931 -0.808 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.637 1.075 -0.187 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.423 1.182 0.207 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.416 1.387 1.142 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.069 1.466 1.436 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.016 1.189 0.182 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.347 1.744 2.599 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.283 1.470 1.346 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.943 1.746 2.553 1.00 0.00 C ATOM 0 H TRP B 52 -5.425 2.553 -3.115 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.740 2.116 -2.334 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.226 0.414 -2.725 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.694 -0.348 -2.345 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.605 0.964 -0.654 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.159 1.540 1.824 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.496 0.976 -0.740 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.863 1.955 3.524 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.204 1.474 1.312 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.373 1.960 3.445 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.639 0.928 -5.286 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.113 0.406 -6.545 1.00 0.00 C ATOM 1281 C GLN B 53 -2.162 1.405 -7.209 1.00 0.00 C ATOM 1282 O GLN B 53 -1.130 1.017 -7.758 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.272 0.086 -7.497 1.00 0.00 C ATOM 1284 CG GLN B 53 -5.081 -1.096 -6.951 1.00 0.00 C ATOM 1285 CD GLN B 53 -4.245 -2.372 -6.994 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -3.641 -2.685 -8.021 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -4.176 -3.133 -5.934 1.00 0.00 N ATOM 0 H GLN B 53 -4.647 1.083 -5.279 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.552 -0.503 -6.326 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.915 0.959 -7.608 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.886 -0.153 -8.488 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.392 -0.891 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.989 -1.227 -7.540 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.677 -2.871 -5.085 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.621 -3.989 -5.956 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.513 2.689 -7.163 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.680 3.724 -7.773 1.00 0.00 C ATOM 1298 C ALA B 54 -0.324 3.823 -7.072 1.00 0.00 C ATOM 1299 O ALA B 54 0.705 4.017 -7.721 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.394 5.075 -7.706 1.00 0.00 C ATOM 0 H ALA B 54 -3.361 3.036 -6.714 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.510 3.452 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.767 5.841 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.341 5.013 -8.243 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.584 5.335 -6.665 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.331 3.695 -5.748 1.00 0.00 N ATOM 1307 CA ALA B 55 0.906 3.777 -4.974 1.00 0.00 C ATOM 1308 C ALA B 55 1.837 2.613 -5.312 1.00 0.00 C ATOM 1309 O ALA B 55 3.048 2.790 -5.444 1.00 0.00 O ATOM 1310 CB ALA B 55 0.579 3.758 -3.480 1.00 0.00 C ATOM 0 H ALA B 55 -1.171 3.535 -5.192 1.00 0.00 H new ATOM 0 HA ALA B 55 1.412 4.708 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.503 3.819 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.058 4.609 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.058 2.833 -3.233 1.00 0.00 H new ATOM 1316 N ILE B 56 1.257 1.424 -5.452 1.00 0.00 N ATOM 1317 CA ILE B 56 2.032 0.230 -5.777 1.00 0.00 C ATOM 1318 C ILE B 56 2.665 0.364 -7.162 1.00 0.00 C ATOM 1319 O ILE B 56 3.831 0.022 -7.359 1.00 0.00 O ATOM 1320 CB ILE B 56 1.117 -1.000 -5.736 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.675 -1.255 -4.292 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.868 -2.229 -6.262 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.469 -2.271 -4.277 1.00 0.00 C ATOM 0 H ILE B 56 0.256 1.262 -5.346 1.00 0.00 H new ATOM 0 HA ILE B 56 2.829 0.114 -5.043 1.00 0.00 H new ATOM 0 HB ILE B 56 0.244 -0.818 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.514 -1.628 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.352 -0.322 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.211 -3.098 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.183 -2.050 -7.290 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.745 -2.413 -5.641 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.782 -2.451 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.310 -1.880 -4.849 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.131 -3.207 -4.722 1.00 0.00 H new ATOM 1335 N ASP B 57 1.882 0.856 -8.115 1.00 0.00 N ATOM 1336 CA ASP B 57 2.363 1.026 -9.481 1.00 0.00 C ATOM 1337 C ASP B 57 3.545 1.992 -9.523 1.00 0.00 C ATOM 1338 O ASP B 57 4.568 1.710 -10.147 1.00 0.00 O ATOM 1339 CB ASP B 57 1.225 1.563 -10.352 1.00 0.00 C ATOM 1340 CG ASP B 57 0.183 0.470 -10.579 1.00 0.00 C ATOM 1341 OD1 ASP B 57 0.532 -0.691 -10.451 1.00 0.00 O ATOM 1342 OD2 ASP B 57 -0.953 0.812 -10.867 1.00 0.00 O ATOM 0 H ASP B 57 0.914 1.143 -7.968 1.00 0.00 H new ATOM 0 HA ASP B 57 2.697 0.060 -9.860 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.762 2.424 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.619 1.906 -11.309 1.00 0.00 H new ATOM 1347 N ALA B 58 3.398 3.128 -8.850 1.00 0.00 N ATOM 1348 CA ALA B 58 4.463 4.123 -8.813 1.00 0.00 C ATOM 1349 C ALA B 58 5.661 3.596 -8.024 1.00 0.00 C ATOM 1350 O ALA B 58 6.811 3.838 -8.390 1.00 0.00 O ATOM 1351 CB ALA B 58 3.945 5.416 -8.182 1.00 0.00 C ATOM 0 H ALA B 58 2.560 3.381 -8.327 1.00 0.00 H new ATOM 0 HA ALA B 58 4.785 4.328 -9.834 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.746 6.155 -8.157 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.114 5.801 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.606 5.215 -7.166 1.00 0.00 H new ATOM 1357 N ALA B 59 5.384 2.869 -6.944 1.00 0.00 N ATOM 1358 CA ALA B 59 6.448 2.308 -6.116 1.00 0.00 C ATOM 1359 C ALA B 59 7.253 1.290 -6.918 1.00 0.00 C ATOM 1360 O ALA B 59 8.481 1.242 -6.831 1.00 0.00 O ATOM 1361 CB ALA B 59 5.841 1.637 -4.880 1.00 0.00 C ATOM 0 H ALA B 59 4.439 2.656 -6.624 1.00 0.00 H new ATOM 0 HA ALA B 59 7.113 3.111 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.638 1.219 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.285 2.375 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.168 0.839 -5.193 1.00 0.00 H new ATOM 1367 N ARG B 60 6.549 0.487 -7.706 1.00 0.00 N ATOM 1368 CA ARG B 60 7.193 -0.524 -8.536 1.00 0.00 C ATOM 1369 C ARG B 60 8.070 0.123 -9.596 1.00 0.00 C ATOM 1370 O ARG B 60 9.175 -0.346 -9.870 1.00 0.00 O ATOM 1371 CB ARG B 60 6.117 -1.380 -9.200 1.00 0.00 C ATOM 1372 CG ARG B 60 5.446 -2.286 -8.149 1.00 0.00 C ATOM 1373 CD ARG B 60 6.225 -3.599 -8.033 1.00 0.00 C ATOM 1374 NE ARG B 60 6.149 -4.301 -9.304 1.00 0.00 N ATOM 1375 CZ ARG B 60 7.061 -5.193 -9.671 1.00 0.00 C ATOM 1376 NH1 ARG B 60 8.111 -5.418 -8.922 1.00 0.00 N ATOM 1377 NH2 ARG B 60 6.916 -5.833 -10.800 1.00 0.00 N ATOM 0 H ARG B 60 5.533 0.516 -7.788 1.00 0.00 H new ATOM 0 HA ARG B 60 7.829 -1.147 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.371 -0.741 -9.672 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.559 -1.989 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.418 -1.781 -7.183 1.00 0.00 H new ATOM 0 HG3 ARG B 60 4.413 -2.488 -8.434 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.265 -3.400 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG B 60 5.810 -4.215 -7.236 1.00 0.00 H new ATOM 0 HE ARG B 60 5.371 -4.102 -9.933 1.00 0.00 H new ATOM 0 HH11 ARG B 60 8.233 -4.906 -8.048 1.00 0.00 H new ATOM 0 HH12 ARG B 60 8.807 -6.105 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG B 60 6.107 -5.646 -11.392 1.00 0.00 H new ATOM 0 HH22 ARG B 60 7.612 -6.520 -11.090 1.00 0.00 H new ATOM 1391 N GLN B 61 7.576 1.201 -10.189 1.00 0.00 N ATOM 1392 CA GLN B 61 8.333 1.899 -11.215 1.00 0.00 C ATOM 1393 C GLN B 61 9.610 2.478 -10.616 1.00 0.00 C ATOM 1394 O GLN B 61 10.688 2.369 -11.199 1.00 0.00 O ATOM 1395 CB GLN B 61 7.488 3.029 -11.815 1.00 0.00 C ATOM 1396 CG GLN B 61 8.303 3.794 -12.868 1.00 0.00 C ATOM 1397 CD GLN B 61 9.196 4.835 -12.196 1.00 0.00 C ATOM 1398 OE1 GLN B 61 10.420 4.693 -12.186 1.00 0.00 O ATOM 1399 NE2 GLN B 61 8.654 5.880 -11.629 1.00 0.00 N ATOM 0 H GLN B 61 6.664 1.607 -9.979 1.00 0.00 H new ATOM 0 HA GLN B 61 8.594 1.191 -12.002 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.587 2.618 -12.269 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.166 3.710 -11.028 1.00 0.00 H new ATOM 0 HG2 GLN B 61 8.914 3.097 -13.441 1.00 0.00 H new ATOM 0 HG3 GLN B 61 7.631 4.283 -13.573 1.00 0.00 H new ATOM 0 HE21 GLN B 61 7.641 5.997 -11.638 1.00 0.00 H new ATOM 0 HE22 GLN B 61 9.244 6.579 -11.178 1.00 0.00 H new ATOM 1408 N ALA B 62 9.477 3.086 -9.440 1.00 0.00 N ATOM 1409 CA ALA B 62 10.623 3.674 -8.759 1.00 0.00 C ATOM 1410 C ALA B 62 11.614 2.588 -8.349 1.00 0.00 C ATOM 1411 O ALA B 62 12.826 2.757 -8.482 1.00 0.00 O ATOM 1412 CB ALA B 62 10.151 4.437 -7.519 1.00 0.00 C ATOM 0 H ALA B 62 8.592 3.183 -8.943 1.00 0.00 H new ATOM 0 HA ALA B 62 11.121 4.363 -9.442 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.011 4.875 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.464 5.228 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.642 3.751 -6.842 1.00 0.00 H new ATOM 1418 N LYS B 63 11.087 1.469 -7.860 1.00 0.00 N ATOM 1419 CA LYS B 63 11.930 0.354 -7.443 1.00 0.00 C ATOM 1420 C LYS B 63 12.680 -0.227 -8.636 1.00 0.00 C ATOM 1421 O LYS B 63 13.879 -0.498 -8.556 1.00 0.00 O ATOM 1422 CB LYS B 63 11.070 -0.733 -6.794 1.00 0.00 C ATOM 1423 CG LYS B 63 11.971 -1.844 -6.251 1.00 0.00 C ATOM 1424 CD LYS B 63 11.126 -2.852 -5.461 1.00 0.00 C ATOM 1425 CE LYS B 63 10.257 -3.680 -6.413 1.00 0.00 C ATOM 1426 NZ LYS B 63 9.759 -4.887 -5.696 1.00 0.00 N ATOM 0 H LYS B 63 10.086 1.311 -7.743 1.00 0.00 H new ATOM 0 HA LYS B 63 12.658 0.721 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.475 -0.306 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.371 -1.142 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS B 63 12.481 -2.347 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.743 -1.419 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.777 -3.511 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS B 63 10.494 -2.325 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS B 63 9.418 -3.083 -6.771 1.00 0.00 H new ATOM 0 HE3 LYS B 63 10.835 -3.975 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 9.168 -5.453 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 10.567 -5.458 -5.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 9.194 -4.594 -4.874 1.00 0.00 H new ATOM 1440 N LEU B 64 11.964 -0.422 -9.740 1.00 0.00 N ATOM 1441 CA LEU B 64 12.572 -0.980 -10.942 1.00 0.00 C ATOM 1442 C LEU B 64 13.673 -0.063 -11.472 1.00 0.00 C ATOM 1443 O LEU B 64 14.753 -0.526 -11.837 1.00 0.00 O ATOM 1444 CB LEU B 64 11.494 -1.175 -12.021 1.00 0.00 C ATOM 1445 CG LEU B 64 12.128 -1.673 -13.333 1.00 0.00 C ATOM 1446 CD1 LEU B 64 12.900 -2.978 -13.082 1.00 0.00 C ATOM 1447 CD2 LEU B 64 11.025 -1.918 -14.368 1.00 0.00 C ATOM 0 H LEU B 64 10.971 -0.204 -9.826 1.00 0.00 H new ATOM 0 HA LEU B 64 13.019 -1.942 -10.690 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.750 -1.892 -11.675 1.00 0.00 H new ATOM 0 HB3 LEU B 64 10.972 -0.234 -12.196 1.00 0.00 H new ATOM 0 HG LEU B 64 12.820 -0.919 -13.707 1.00 0.00 H new ATOM 0 HD11 LEU B 64 13.345 -3.323 -14.015 1.00 0.00 H new ATOM 0 HD12 LEU B 64 13.687 -2.800 -12.349 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.217 -3.738 -12.703 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.471 -2.271 -15.298 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.332 -2.669 -13.990 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.487 -0.988 -14.553 1.00 0.00 H new ATOM 1459 N MET B 65 13.388 1.234 -11.527 1.00 0.00 N ATOM 1460 CA MET B 65 14.361 2.195 -12.035 1.00 0.00 C ATOM 1461 C MET B 65 15.556 2.309 -11.090 1.00 0.00 C ATOM 1462 O MET B 65 16.697 2.446 -11.534 1.00 0.00 O ATOM 1463 CB MET B 65 13.698 3.567 -12.207 1.00 0.00 C ATOM 1464 CG MET B 65 14.685 4.555 -12.842 1.00 0.00 C ATOM 1465 SD MET B 65 15.059 4.025 -14.533 1.00 0.00 S ATOM 1466 CE MET B 65 15.337 5.671 -15.228 1.00 0.00 C ATOM 0 H MET B 65 12.501 1.641 -11.230 1.00 0.00 H new ATOM 0 HA MET B 65 14.720 1.843 -13.002 1.00 0.00 H new ATOM 0 HB2 MET B 65 12.811 3.475 -12.833 1.00 0.00 H new ATOM 0 HB3 MET B 65 13.367 3.943 -11.239 1.00 0.00 H new ATOM 0 HG2 MET B 65 14.259 5.558 -12.849 1.00 0.00 H new ATOM 0 HG3 MET B 65 15.601 4.602 -12.252 1.00 0.00 H new ATOM 0 HE1 MET B 65 15.587 5.582 -16.285 1.00 0.00 H new ATOM 0 HE2 MET B 65 14.433 6.270 -15.118 1.00 0.00 H new ATOM 0 HE3 MET B 65 16.159 6.155 -14.700 1.00 0.00 H new ATOM 1476 N GLY B 66 15.290 2.251 -9.786 1.00 0.00 N ATOM 1477 CA GLY B 66 16.354 2.345 -8.786 1.00 0.00 C ATOM 1478 C GLY B 66 16.627 3.795 -8.380 1.00 0.00 C ATOM 1479 O GLY B 66 17.567 4.068 -7.631 1.00 0.00 O ATOM 0 H GLY B 66 14.353 2.140 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.076 1.767 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.267 1.901 -9.184 1.00 0.00 H new ATOM 1483 N SER B 67 15.809 4.723 -8.871 1.00 0.00 N ATOM 1484 CA SER B 67 15.989 6.134 -8.537 1.00 0.00 C ATOM 1485 C SER B 67 15.459 6.430 -7.134 1.00 0.00 C ATOM 1486 O SER B 67 14.650 5.676 -6.594 1.00 0.00 O ATOM 1487 CB SER B 67 15.256 7.013 -9.552 1.00 0.00 C ATOM 1488 OG SER B 67 13.853 6.837 -9.397 1.00 0.00 O ATOM 0 H SER B 67 15.025 4.528 -9.493 1.00 0.00 H new ATOM 0 HA SER B 67 17.056 6.356 -8.566 1.00 0.00 H new ATOM 0 HB2 SER B 67 15.522 8.060 -9.403 1.00 0.00 H new ATOM 0 HB3 SER B 67 15.558 6.748 -10.565 1.00 0.00 H new ATOM 0 HG SER B 67 13.379 7.400 -10.044 1.00 0.00 H new ATOM 1494 N ALA B 68 15.920 7.534 -6.555 1.00 0.00 N ATOM 1495 CA ALA B 68 15.492 7.931 -5.218 1.00 0.00 C ATOM 1496 C ALA B 68 14.047 8.419 -5.237 1.00 0.00 C ATOM 1497 O ALA B 68 13.560 8.726 -6.315 1.00 0.00 O ATOM 1498 CB ALA B 68 16.401 9.045 -4.695 1.00 0.00 C ATOM 1499 OXT ALA B 68 13.447 8.480 -4.177 1.00 0.00 O ATOM 0 H ALA B 68 16.589 8.169 -6.990 1.00 0.00 H new ATOM 0 HA ALA B 68 15.559 7.063 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA B 68 16.078 9.339 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA B 68 17.429 8.686 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA B 68 16.344 9.905 -5.363 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.557 2.390 11.534 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.987 -2.956 11.350 1.00 0.00 CA