USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=21 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 8 GLN : amide:sc= -0.14 K(o=-0.35,f=-1.4) USER MOD Set 1.2: A 72 MET CE :methyl -162:sc= -0.212 (180deg=-0.761) USER MOD Single : A 1 ALA N :NH3+ 168:sc= -0.215 (180deg=-0.346) USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 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+ 155:sc= -1.32 (180deg=-2.99!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 113:sc= 0.772 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00539 USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= -1.27 (180deg=-3.6!) USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 36 MET CE :methyl 180:sc= -0.273 (180deg=-0.273) USER MOD Single : A 38 SER OG : rot -8:sc= 0.00542 USER MOD Single : A 41 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.26) USER MOD Single : A 42 ASN : amide:sc= -0.838 K(o=-0.84,f=-5.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 49 GLN : amide:sc=-0.00233 K(o=-0.0023,f=-1.6!) USER MOD Single : A 51 MET CE :methyl -157:sc= -0.103 (180deg=-0.351) USER MOD Single : A 53 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.49) USER MOD Single : A 60 ASN : amide:sc= -0.763 K(o=-0.76,f=-1.6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.0526 USER MOD Single : A 71 MET CE :methyl -164:sc= -1.96 (180deg=-3.48!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN :FLIP amide:sc= -0.352 F(o=-1.5!,f=-0.35) USER MOD Single : B 61 GLN : amide:sc= 0 X(o=0,f=-0.33) 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 -72:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.730 -13.911 -12.594 1.00 0.00 N ATOM 2 CA ALA A 1 -7.968 -13.921 -11.760 1.00 0.00 C ATOM 3 C ALA A 1 -7.950 -15.169 -10.893 1.00 0.00 C ATOM 4 O ALA A 1 -8.965 -15.561 -10.317 1.00 0.00 O ATOM 5 CB ALA A 1 -9.195 -13.936 -12.672 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.815 -13.184 -13.333 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.908 -13.699 -11.993 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.603 -14.843 -13.038 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.010 -13.033 -11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.100 -13.943 -12.064 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.189 -13.048 -13.304 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.172 -14.827 -13.299 1.00 0.00 H new ATOM 13 N ASP A 2 -6.789 -15.800 -10.840 1.00 0.00 N ATOM 14 CA ASP A 2 -6.614 -17.024 -10.078 1.00 0.00 C ATOM 15 C ASP A 2 -6.458 -16.735 -8.585 1.00 0.00 C ATOM 16 O ASP A 2 -5.924 -15.696 -8.194 1.00 0.00 O ATOM 17 CB ASP A 2 -5.382 -17.753 -10.611 1.00 0.00 C ATOM 18 CG ASP A 2 -5.664 -18.264 -12.023 1.00 0.00 C ATOM 19 OD1 ASP A 2 -6.826 -18.358 -12.372 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.712 -18.556 -12.728 1.00 0.00 O ATOM 0 H ASP A 2 -5.947 -15.481 -11.320 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.500 -17.648 -10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.524 -17.081 -10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.127 -18.586 -9.956 1.00 0.00 H new ATOM 25 N GLN A 3 -6.933 -17.665 -7.762 1.00 0.00 N ATOM 26 CA GLN A 3 -6.849 -17.518 -6.308 1.00 0.00 C ATOM 27 C GLN A 3 -5.434 -17.115 -5.892 1.00 0.00 C ATOM 28 O GLN A 3 -4.521 -17.095 -6.717 1.00 0.00 O ATOM 29 CB GLN A 3 -7.238 -18.836 -5.632 1.00 0.00 C ATOM 30 CG GLN A 3 -6.298 -19.951 -6.098 1.00 0.00 C ATOM 31 CD GLN A 3 -6.718 -21.284 -5.485 1.00 0.00 C ATOM 32 OE1 GLN A 3 -7.426 -21.297 -4.390 1.00 0.00 O flip ATOM 33 NE2 GLN A 3 -6.390 -22.342 -6.018 1.00 0.00 N flip ATOM 0 H GLN A 3 -7.380 -18.527 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.539 -16.735 -5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.184 -18.730 -4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.269 -19.091 -5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.316 -20.021 -7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.273 -19.717 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.836 -22.331 -6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.672 -23.231 -5.604 1.00 0.00 H new ATOM 42 N LEU A 4 -5.262 -16.784 -4.614 1.00 0.00 N ATOM 43 CA LEU A 4 -3.956 -16.366 -4.105 1.00 0.00 C ATOM 44 C LEU A 4 -2.855 -17.331 -4.558 1.00 0.00 C ATOM 45 O LEU A 4 -3.124 -18.311 -5.254 1.00 0.00 O ATOM 46 CB LEU A 4 -4.001 -16.293 -2.564 1.00 0.00 C ATOM 47 CG LEU A 4 -3.158 -15.102 -2.057 1.00 0.00 C ATOM 48 CD1 LEU A 4 -3.999 -13.822 -2.083 1.00 0.00 C ATOM 49 CD2 LEU A 4 -2.690 -15.366 -0.621 1.00 0.00 C ATOM 0 H LEU A 4 -6.005 -16.797 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.725 -15.380 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.033 -16.186 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.622 -17.222 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.291 -14.984 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.399 -12.985 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.327 -13.623 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.870 -13.946 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.096 -14.522 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.557 -15.493 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.083 -16.271 -0.597 1.00 0.00 H new ATOM 61 N THR A 5 -1.618 -17.046 -4.153 1.00 0.00 N ATOM 62 CA THR A 5 -0.483 -17.893 -4.520 1.00 0.00 C ATOM 63 C THR A 5 0.793 -17.418 -3.814 1.00 0.00 C ATOM 64 O THR A 5 0.792 -16.391 -3.135 1.00 0.00 O ATOM 65 CB THR A 5 -0.284 -17.867 -6.047 1.00 0.00 C ATOM 66 OG1 THR A 5 0.315 -19.086 -6.461 1.00 0.00 O ATOM 67 CG2 THR A 5 0.628 -16.704 -6.446 1.00 0.00 C ATOM 0 H THR A 5 -1.377 -16.241 -3.575 1.00 0.00 H new ATOM 0 HA THR A 5 -0.692 -18.915 -4.204 1.00 0.00 H new ATOM 0 HB THR A 5 -1.254 -17.741 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.442 -19.075 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.759 -16.699 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.177 -15.763 -6.131 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.598 -16.821 -5.964 1.00 0.00 H new ATOM 75 N GLU A 6 1.881 -18.163 -3.994 1.00 0.00 N ATOM 76 CA GLU A 6 3.154 -17.798 -3.380 1.00 0.00 C ATOM 77 C GLU A 6 3.542 -16.372 -3.776 1.00 0.00 C ATOM 78 O GLU A 6 3.823 -15.533 -2.927 1.00 0.00 O ATOM 79 CB GLU A 6 4.240 -18.784 -3.831 1.00 0.00 C ATOM 80 CG GLU A 6 5.562 -18.465 -3.123 1.00 0.00 C ATOM 81 CD GLU A 6 6.625 -19.489 -3.510 1.00 0.00 C ATOM 82 OE1 GLU A 6 6.256 -20.540 -4.008 1.00 0.00 O ATOM 83 OE2 GLU A 6 7.794 -19.209 -3.298 1.00 0.00 O ATOM 0 H GLU A 6 1.907 -19.015 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 6 3.055 -17.842 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.933 -19.805 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.372 -18.724 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.896 -17.463 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.416 -18.472 -2.043 1.00 0.00 H new ATOM 90 N GLU A 7 3.567 -16.102 -5.067 1.00 0.00 N ATOM 91 CA GLU A 7 3.924 -14.777 -5.546 1.00 0.00 C ATOM 92 C GLU A 7 3.199 -13.689 -4.745 1.00 0.00 C ATOM 93 O GLU A 7 3.828 -12.796 -4.182 1.00 0.00 O ATOM 94 CB GLU A 7 3.561 -14.671 -7.038 1.00 0.00 C ATOM 95 CG GLU A 7 3.423 -13.204 -7.459 1.00 0.00 C ATOM 96 CD GLU A 7 3.344 -13.086 -8.979 1.00 0.00 C ATOM 97 OE1 GLU A 7 3.164 -14.103 -9.627 1.00 0.00 O ATOM 98 OE2 GLU A 7 3.454 -11.977 -9.472 1.00 0.00 O ATOM 0 H GLU A 7 3.346 -16.776 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 7 4.996 -14.627 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.329 -15.156 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.626 -15.199 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.529 -12.773 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.274 -12.632 -7.088 1.00 0.00 H new ATOM 105 N GLN A 8 1.876 -13.755 -4.741 1.00 0.00 N ATOM 106 CA GLN A 8 1.052 -12.750 -4.075 1.00 0.00 C ATOM 107 C GLN A 8 1.578 -12.376 -2.688 1.00 0.00 C ATOM 108 O GLN A 8 1.840 -11.203 -2.423 1.00 0.00 O ATOM 109 CB GLN A 8 -0.369 -13.295 -3.944 1.00 0.00 C ATOM 110 CG GLN A 8 -1.094 -13.238 -5.293 1.00 0.00 C ATOM 111 CD GLN A 8 -1.414 -11.797 -5.669 1.00 0.00 C ATOM 112 OE1 GLN A 8 -2.013 -11.065 -4.882 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.055 -11.346 -6.838 1.00 0.00 N ATOM 0 H GLN A 8 1.345 -14.498 -5.194 1.00 0.00 H new ATOM 0 HA GLN A 8 1.077 -11.845 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.338 -14.324 -3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.920 -12.715 -3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.473 -13.692 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.015 -13.819 -5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.559 -11.954 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.271 -10.385 -7.102 1.00 0.00 H new ATOM 122 N ILE A 9 1.714 -13.352 -1.794 1.00 0.00 N ATOM 123 CA ILE A 9 2.175 -13.040 -0.446 1.00 0.00 C ATOM 124 C ILE A 9 3.529 -12.333 -0.489 1.00 0.00 C ATOM 125 O ILE A 9 3.721 -11.309 0.166 1.00 0.00 O ATOM 126 CB ILE A 9 2.249 -14.316 0.403 1.00 0.00 C ATOM 127 CG1 ILE A 9 2.955 -15.419 -0.381 1.00 0.00 C ATOM 128 CG2 ILE A 9 0.833 -14.778 0.745 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.175 -16.639 0.509 1.00 0.00 C ATOM 0 H ILE A 9 1.518 -14.337 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 9 1.457 -12.363 0.017 1.00 0.00 H new ATOM 0 HB ILE A 9 2.804 -14.106 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.359 -15.696 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.912 -15.055 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.882 -15.685 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.321 -13.996 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.285 -14.983 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.679 -17.419 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.790 -16.359 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.213 -17.011 0.861 1.00 0.00 H new ATOM 141 N ALA A 10 4.459 -12.866 -1.270 1.00 0.00 N ATOM 142 CA ALA A 10 5.776 -12.257 -1.387 1.00 0.00 C ATOM 143 C ALA A 10 5.650 -10.847 -1.963 1.00 0.00 C ATOM 144 O ALA A 10 6.335 -9.919 -1.530 1.00 0.00 O ATOM 145 CB ALA A 10 6.652 -13.118 -2.299 1.00 0.00 C ATOM 0 H ALA A 10 4.328 -13.711 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 10 6.234 -12.192 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.639 -12.665 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.749 -14.117 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.193 -13.187 -3.285 1.00 0.00 H new ATOM 151 N GLU A 11 4.760 -10.706 -2.939 1.00 0.00 N ATOM 152 CA GLU A 11 4.530 -9.421 -3.589 1.00 0.00 C ATOM 153 C GLU A 11 4.113 -8.362 -2.567 1.00 0.00 C ATOM 154 O GLU A 11 4.618 -7.237 -2.586 1.00 0.00 O ATOM 155 CB GLU A 11 3.432 -9.574 -4.649 1.00 0.00 C ATOM 156 CG GLU A 11 3.301 -8.279 -5.452 1.00 0.00 C ATOM 157 CD GLU A 11 2.245 -8.438 -6.540 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.526 -9.422 -6.497 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.170 -7.576 -7.400 1.00 0.00 O ATOM 0 H GLU A 11 4.185 -11.468 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 11 5.458 -9.099 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.670 -10.403 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.482 -9.813 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.030 -7.457 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.260 -8.022 -5.901 1.00 0.00 H new ATOM 166 N PHE A 12 3.195 -8.721 -1.675 1.00 0.00 N ATOM 167 CA PHE A 12 2.736 -7.787 -0.658 1.00 0.00 C ATOM 168 C PHE A 12 3.880 -7.447 0.302 1.00 0.00 C ATOM 169 O PHE A 12 4.037 -6.298 0.713 1.00 0.00 O ATOM 170 CB PHE A 12 1.520 -8.398 0.076 1.00 0.00 C ATOM 171 CG PHE A 12 1.772 -8.514 1.562 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.850 -7.359 2.347 1.00 0.00 C ATOM 173 CD2 PHE A 12 1.944 -9.771 2.148 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.095 -7.461 3.718 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.190 -9.874 3.518 1.00 0.00 C ATOM 176 CZ PHE A 12 2.265 -8.720 4.305 1.00 0.00 C ATOM 0 H PHE A 12 2.759 -9.642 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 12 2.419 -6.852 -1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.640 -7.779 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.303 -9.384 -0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.721 -6.388 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.887 -10.662 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.153 -6.569 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.323 -10.845 3.971 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.454 -8.801 5.365 1.00 0.00 H new ATOM 186 N LYS A 13 4.671 -8.454 0.652 1.00 0.00 N ATOM 187 CA LYS A 13 5.789 -8.249 1.553 1.00 0.00 C ATOM 188 C LYS A 13 6.716 -7.172 1.001 1.00 0.00 C ATOM 189 O LYS A 13 7.210 -6.324 1.745 1.00 0.00 O ATOM 190 CB LYS A 13 6.556 -9.566 1.730 1.00 0.00 C ATOM 191 CG LYS A 13 7.777 -9.357 2.653 1.00 0.00 C ATOM 192 CD LYS A 13 9.056 -9.227 1.813 1.00 0.00 C ATOM 193 CE LYS A 13 9.563 -10.608 1.381 1.00 0.00 C ATOM 194 NZ LYS A 13 10.949 -10.470 0.862 1.00 0.00 N ATOM 0 H LYS A 13 4.557 -9.414 0.326 1.00 0.00 H new ATOM 0 HA LYS A 13 5.413 -7.922 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.897 -10.324 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.885 -9.936 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.637 -8.461 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.869 -10.196 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.858 -8.615 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.826 -8.716 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.543 -11.298 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.912 -11.025 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.303 -11.402 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.952 -9.824 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.563 -10.088 1.609 1.00 0.00 H new ATOM 208 N GLU A 14 6.936 -7.206 -0.311 1.00 0.00 N ATOM 209 CA GLU A 14 7.791 -6.219 -0.960 1.00 0.00 C ATOM 210 C GLU A 14 7.175 -4.828 -0.825 1.00 0.00 C ATOM 211 O GLU A 14 7.810 -3.898 -0.318 1.00 0.00 O ATOM 212 CB GLU A 14 7.950 -6.569 -2.445 1.00 0.00 C ATOM 213 CG GLU A 14 8.765 -7.861 -2.594 1.00 0.00 C ATOM 214 CD GLU A 14 8.834 -8.287 -4.059 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.253 -7.605 -4.883 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.466 -9.297 -4.334 1.00 0.00 O ATOM 0 H GLU A 14 6.537 -7.902 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 14 8.770 -6.225 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.970 -6.692 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.448 -5.753 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.772 -7.709 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.311 -8.654 -2.000 1.00 0.00 H new ATOM 223 N ALA A 15 5.925 -4.698 -1.261 1.00 0.00 N ATOM 224 CA ALA A 15 5.228 -3.420 -1.178 1.00 0.00 C ATOM 225 C ALA A 15 5.189 -2.938 0.271 1.00 0.00 C ATOM 226 O ALA A 15 5.371 -1.751 0.552 1.00 0.00 O ATOM 227 CB ALA A 15 3.807 -3.572 -1.733 1.00 0.00 C ATOM 0 H ALA A 15 5.379 -5.455 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 15 5.761 -2.678 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.288 -2.616 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.855 -3.891 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.266 -4.318 -1.150 1.00 0.00 H new ATOM 233 N PHE A 16 4.975 -3.869 1.188 1.00 0.00 N ATOM 234 CA PHE A 16 4.936 -3.530 2.601 1.00 0.00 C ATOM 235 C PHE A 16 6.259 -2.897 3.042 1.00 0.00 C ATOM 236 O PHE A 16 6.275 -1.845 3.681 1.00 0.00 O ATOM 237 CB PHE A 16 4.631 -4.809 3.421 1.00 0.00 C ATOM 238 CG PHE A 16 5.446 -4.843 4.703 1.00 0.00 C ATOM 239 CD1 PHE A 16 5.183 -3.934 5.734 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.486 -5.774 4.839 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.957 -3.959 6.900 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.260 -5.794 5.999 1.00 0.00 C ATOM 243 CZ PHE A 16 6.997 -4.889 7.028 1.00 0.00 C ATOM 0 H PHE A 16 4.827 -4.857 0.981 1.00 0.00 H new ATOM 0 HA PHE A 16 4.148 -2.797 2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.568 -4.846 3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.854 -5.691 2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.384 -3.215 5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.688 -6.477 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.753 -3.262 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.062 -6.510 6.101 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.597 -4.905 7.926 1.00 0.00 H new ATOM 253 N SER A 17 7.358 -3.556 2.705 1.00 0.00 N ATOM 254 CA SER A 17 8.680 -3.070 3.083 1.00 0.00 C ATOM 255 C SER A 17 8.918 -1.660 2.558 1.00 0.00 C ATOM 256 O SER A 17 9.604 -0.863 3.198 1.00 0.00 O ATOM 257 CB SER A 17 9.762 -4.006 2.538 1.00 0.00 C ATOM 258 OG SER A 17 11.037 -3.560 2.984 1.00 0.00 O ATOM 0 H SER A 17 7.363 -4.426 2.172 1.00 0.00 H new ATOM 0 HA SER A 17 8.729 -3.048 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.581 -5.026 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.730 -4.022 1.449 1.00 0.00 H new ATOM 0 HG SER A 17 11.732 -4.158 2.638 1.00 0.00 H new ATOM 264 N LEU A 18 8.358 -1.355 1.394 1.00 0.00 N ATOM 265 CA LEU A 18 8.528 -0.024 0.808 1.00 0.00 C ATOM 266 C LEU A 18 7.801 1.045 1.620 1.00 0.00 C ATOM 267 O LEU A 18 8.325 2.139 1.831 1.00 0.00 O ATOM 268 CB LEU A 18 8.003 -0.014 -0.631 1.00 0.00 C ATOM 269 CG LEU A 18 8.921 -0.857 -1.532 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.274 -1.017 -2.914 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.304 -0.187 -1.674 1.00 0.00 C ATOM 0 H LEU A 18 7.790 -1.997 0.841 1.00 0.00 H new ATOM 0 HA LEU A 18 9.593 0.206 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.988 -0.411 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.956 1.010 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 18 9.058 -1.838 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.924 -1.614 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.310 -1.516 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.127 -0.035 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.940 -0.798 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.185 0.802 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.765 -0.091 -0.691 1.00 0.00 H new ATOM 283 N PHE A 19 6.583 0.733 2.052 1.00 0.00 N ATOM 284 CA PHE A 19 5.793 1.692 2.820 1.00 0.00 C ATOM 285 C PHE A 19 6.343 1.877 4.231 1.00 0.00 C ATOM 286 O PHE A 19 6.586 3.001 4.661 1.00 0.00 O ATOM 287 CB PHE A 19 4.341 1.228 2.899 1.00 0.00 C ATOM 288 CG PHE A 19 3.750 1.156 1.509 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.640 2.311 0.725 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.315 -0.073 1.000 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.095 2.235 -0.561 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.771 -0.150 -0.280 1.00 0.00 C ATOM 293 CZ PHE A 19 2.661 1.003 -1.064 1.00 0.00 C ATOM 0 H PHE A 19 6.125 -0.164 1.887 1.00 0.00 H new ATOM 0 HA PHE A 19 5.850 2.651 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.288 0.250 3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.763 1.917 3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.976 3.261 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.401 -0.965 1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.009 3.126 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.434 -1.100 -0.667 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.241 0.943 -2.057 1.00 0.00 H new ATOM 303 N ASP A 20 6.532 0.780 4.955 1.00 0.00 N ATOM 304 CA ASP A 20 7.048 0.866 6.319 1.00 0.00 C ATOM 305 C ASP A 20 8.427 1.528 6.332 1.00 0.00 C ATOM 306 O ASP A 20 9.450 0.853 6.452 1.00 0.00 O ATOM 307 CB ASP A 20 7.143 -0.537 6.926 1.00 0.00 C ATOM 308 CG ASP A 20 7.338 -0.446 8.435 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.818 0.577 8.887 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.012 -1.400 9.115 1.00 0.00 O ATOM 0 H ASP A 20 6.340 -0.167 4.628 1.00 0.00 H new ATOM 0 HA ASP A 20 6.364 1.474 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.237 -1.100 6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.975 -1.080 6.477 1.00 0.00 H new ATOM 315 N LYS A 21 8.451 2.857 6.203 1.00 0.00 N ATOM 316 CA LYS A 21 9.722 3.579 6.197 1.00 0.00 C ATOM 317 C LYS A 21 10.458 3.363 7.512 1.00 0.00 C ATOM 318 O LYS A 21 11.630 2.978 7.519 1.00 0.00 O ATOM 319 CB LYS A 21 9.492 5.082 5.977 1.00 0.00 C ATOM 320 CG LYS A 21 8.368 5.323 4.960 1.00 0.00 C ATOM 321 CD LYS A 21 8.646 4.583 3.637 1.00 0.00 C ATOM 322 CE LYS A 21 9.950 5.093 2.994 1.00 0.00 C ATOM 323 NZ LYS A 21 11.069 4.175 3.348 1.00 0.00 N ATOM 0 H LYS A 21 7.622 3.443 6.103 1.00 0.00 H new ATOM 0 HA LYS A 21 10.328 3.192 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.238 5.557 6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.413 5.547 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.419 4.985 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.270 6.392 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.720 3.511 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.813 4.731 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.838 5.146 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.169 6.102 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.813 4.240 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.460 4.445 4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.715 3.198 3.394 1.00 0.00 H new ATOM 337 N ASP A 22 9.774 3.612 8.621 1.00 0.00 N ATOM 338 CA ASP A 22 10.382 3.445 9.931 1.00 0.00 C ATOM 339 C ASP A 22 10.781 1.988 10.133 1.00 0.00 C ATOM 340 O ASP A 22 11.621 1.674 10.978 1.00 0.00 O ATOM 341 CB ASP A 22 9.383 3.872 11.011 1.00 0.00 C ATOM 342 CG ASP A 22 8.052 3.159 10.795 1.00 0.00 C ATOM 343 OD1 ASP A 22 7.788 2.769 9.673 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.309 3.019 11.750 1.00 0.00 O ATOM 0 H ASP A 22 8.804 3.928 8.639 1.00 0.00 H new ATOM 0 HA ASP A 22 11.275 4.066 10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.777 3.634 11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.237 4.952 10.978 1.00 0.00 H new ATOM 349 N GLY A 23 10.192 1.107 9.331 1.00 0.00 N ATOM 350 CA GLY A 23 10.505 -0.318 9.403 1.00 0.00 C ATOM 351 C GLY A 23 10.187 -0.907 10.773 1.00 0.00 C ATOM 352 O GLY A 23 10.961 -1.707 11.301 1.00 0.00 O ATOM 0 H GLY A 23 9.497 1.352 8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.939 -0.852 8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.561 -0.468 9.181 1.00 0.00 H new ATOM 356 N ASP A 24 9.051 -0.519 11.349 1.00 0.00 N ATOM 357 CA ASP A 24 8.660 -1.035 12.664 1.00 0.00 C ATOM 358 C ASP A 24 7.828 -2.314 12.530 1.00 0.00 C ATOM 359 O ASP A 24 7.474 -2.940 13.530 1.00 0.00 O ATOM 360 CB ASP A 24 7.872 0.026 13.438 1.00 0.00 C ATOM 361 CG ASP A 24 6.680 0.516 12.626 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.552 0.113 11.484 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.908 1.290 13.162 1.00 0.00 O ATOM 0 H ASP A 24 8.392 0.141 10.936 1.00 0.00 H new ATOM 0 HA ASP A 24 9.569 -1.276 13.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.526 -0.390 14.384 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.524 0.866 13.678 1.00 0.00 H new ATOM 368 N GLY A 25 7.525 -2.699 11.290 1.00 0.00 N ATOM 369 CA GLY A 25 6.738 -3.909 11.029 1.00 0.00 C ATOM 370 C GLY A 25 5.300 -3.563 10.659 1.00 0.00 C ATOM 371 O GLY A 25 4.476 -4.449 10.429 1.00 0.00 O ATOM 0 H GLY A 25 7.811 -2.194 10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.198 -4.477 10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.745 -4.548 11.912 1.00 0.00 H new ATOM 375 N THR A 26 5.004 -2.269 10.602 1.00 0.00 N ATOM 376 CA THR A 26 3.663 -1.799 10.256 1.00 0.00 C ATOM 377 C THR A 26 3.758 -0.568 9.362 1.00 0.00 C ATOM 378 O THR A 26 4.836 0.001 9.186 1.00 0.00 O ATOM 379 CB THR A 26 2.881 -1.454 11.534 1.00 0.00 C ATOM 380 OG1 THR A 26 3.754 -0.826 12.463 1.00 0.00 O ATOM 381 CG2 THR A 26 2.304 -2.733 12.149 1.00 0.00 C ATOM 0 H THR A 26 5.674 -1.524 10.791 1.00 0.00 H new ATOM 0 HA THR A 26 3.139 -2.590 9.720 1.00 0.00 H new ATOM 0 HB THR A 26 2.063 -0.777 11.288 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.258 -0.603 13.278 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.751 -2.484 13.054 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.634 -3.210 11.434 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.116 -3.416 12.397 1.00 0.00 H new ATOM 389 N ILE A 27 2.618 -0.153 8.813 1.00 0.00 N ATOM 390 CA ILE A 27 2.572 1.033 7.957 1.00 0.00 C ATOM 391 C ILE A 27 1.731 2.102 8.639 1.00 0.00 C ATOM 392 O ILE A 27 0.662 1.810 9.166 1.00 0.00 O ATOM 393 CB ILE A 27 1.982 0.690 6.593 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.926 -0.268 5.865 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.812 1.973 5.774 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.245 -0.795 4.599 1.00 0.00 C ATOM 0 H ILE A 27 1.719 -0.616 8.944 1.00 0.00 H new ATOM 0 HA ILE A 27 3.585 1.404 7.802 1.00 0.00 H new ATOM 0 HB ILE A 27 1.009 0.215 6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.852 0.245 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.194 -1.098 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.390 1.729 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.142 2.654 6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.783 2.451 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.919 -1.478 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.331 -1.323 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.000 0.040 3.943 1.00 0.00 H new ATOM 408 N THR A 28 2.226 3.339 8.641 1.00 0.00 N ATOM 409 CA THR A 28 1.513 4.446 9.287 1.00 0.00 C ATOM 410 C THR A 28 0.963 5.426 8.253 1.00 0.00 C ATOM 411 O THR A 28 1.363 5.413 7.088 1.00 0.00 O ATOM 412 CB THR A 28 2.462 5.182 10.239 1.00 0.00 C ATOM 413 OG1 THR A 28 3.017 4.255 11.162 1.00 0.00 O ATOM 414 CG2 THR A 28 1.697 6.265 11.008 1.00 0.00 C ATOM 0 H THR A 28 3.111 3.601 8.207 1.00 0.00 H new ATOM 0 HA THR A 28 0.674 4.032 9.846 1.00 0.00 H new ATOM 0 HB THR A 28 3.258 5.648 9.659 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.979 4.168 10.999 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.379 6.783 11.682 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.271 6.979 10.303 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.896 5.804 11.586 1.00 0.00 H new ATOM 422 N THR A 29 0.040 6.274 8.695 1.00 0.00 N ATOM 423 CA THR A 29 -0.579 7.265 7.816 1.00 0.00 C ATOM 424 C THR A 29 0.471 8.227 7.258 1.00 0.00 C ATOM 425 O THR A 29 0.445 8.578 6.079 1.00 0.00 O ATOM 426 CB THR A 29 -1.637 8.057 8.595 1.00 0.00 C ATOM 427 OG1 THR A 29 -2.436 7.163 9.358 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.533 8.819 7.621 1.00 0.00 C ATOM 0 H THR A 29 -0.297 6.296 9.657 1.00 0.00 H new ATOM 0 HA THR A 29 -1.049 6.742 6.983 1.00 0.00 H new ATOM 0 HB THR A 29 -1.136 8.762 9.259 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.110 7.671 9.856 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.283 9.380 8.179 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.927 9.508 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.029 8.113 6.955 1.00 0.00 H new ATOM 436 N LYS A 30 1.390 8.648 8.123 1.00 0.00 N ATOM 437 CA LYS A 30 2.450 9.554 7.738 1.00 0.00 C ATOM 438 C LYS A 30 3.458 8.853 6.826 1.00 0.00 C ATOM 439 O LYS A 30 3.925 9.429 5.843 1.00 0.00 O ATOM 440 CB LYS A 30 3.138 10.079 8.994 1.00 0.00 C ATOM 441 CG LYS A 30 4.145 11.135 8.591 1.00 0.00 C ATOM 442 CD LYS A 30 4.780 11.762 9.841 1.00 0.00 C ATOM 443 CE LYS A 30 5.612 10.716 10.595 1.00 0.00 C ATOM 444 NZ LYS A 30 4.723 9.970 11.530 1.00 0.00 N ATOM 0 H LYS A 30 1.415 8.368 9.104 1.00 0.00 H new ATOM 0 HA LYS A 30 2.024 10.389 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.403 10.500 9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.635 9.265 9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.918 10.691 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.656 11.906 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.412 12.602 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.002 12.157 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.079 10.028 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.416 11.202 11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.080 10.068 12.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.759 10.356 11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.708 8.964 11.267 1.00 0.00 H new ATOM 458 N GLU A 31 3.782 7.601 7.155 1.00 0.00 N ATOM 459 CA GLU A 31 4.728 6.828 6.353 1.00 0.00 C ATOM 460 C GLU A 31 4.269 6.797 4.898 1.00 0.00 C ATOM 461 O GLU A 31 4.970 7.273 4.002 1.00 0.00 O ATOM 462 CB GLU A 31 4.823 5.396 6.901 1.00 0.00 C ATOM 463 CG GLU A 31 5.645 5.391 8.195 1.00 0.00 C ATOM 464 CD GLU A 31 5.455 4.074 8.942 1.00 0.00 C ATOM 465 OE1 GLU A 31 5.093 3.103 8.307 1.00 0.00 O ATOM 466 OE2 GLU A 31 5.682 4.053 10.140 1.00 0.00 O ATOM 0 H GLU A 31 3.407 7.106 7.964 1.00 0.00 H new ATOM 0 HA GLU A 31 5.710 7.297 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.825 5.002 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.287 4.743 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.700 5.536 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.341 6.223 8.830 1.00 0.00 H new ATOM 473 N LEU A 32 3.079 6.257 4.676 1.00 0.00 N ATOM 474 CA LEU A 32 2.522 6.186 3.328 1.00 0.00 C ATOM 475 C LEU A 32 2.401 7.577 2.719 1.00 0.00 C ATOM 476 O LEU A 32 2.795 7.796 1.572 1.00 0.00 O ATOM 477 CB LEU A 32 1.138 5.524 3.402 1.00 0.00 C ATOM 478 CG LEU A 32 0.344 5.702 2.096 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.037 4.948 0.973 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.067 5.143 2.283 1.00 0.00 C ATOM 0 H LEU A 32 2.483 5.864 5.404 1.00 0.00 H new ATOM 0 HA LEU A 32 3.186 5.598 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.255 4.461 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.574 5.953 4.230 1.00 0.00 H new ATOM 0 HG LEU A 32 0.291 6.761 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.474 5.074 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.046 5.339 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.089 3.889 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.633 5.267 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.009 4.084 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.567 5.679 3.090 1.00 0.00 H new ATOM 492 N GLY A 33 1.848 8.508 3.485 1.00 0.00 N ATOM 493 CA GLY A 33 1.675 9.869 2.993 1.00 0.00 C ATOM 494 C GLY A 33 2.969 10.379 2.383 1.00 0.00 C ATOM 495 O GLY A 33 2.966 10.991 1.315 1.00 0.00 O ATOM 0 H GLY A 33 1.516 8.350 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.879 9.895 2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.368 10.522 3.810 1.00 0.00 H new ATOM 499 N THR A 34 4.078 10.115 3.063 1.00 0.00 N ATOM 500 CA THR A 34 5.378 10.549 2.572 1.00 0.00 C ATOM 501 C THR A 34 5.662 9.900 1.220 1.00 0.00 C ATOM 502 O THR A 34 6.073 10.577 0.278 1.00 0.00 O ATOM 503 CB THR A 34 6.472 10.165 3.572 1.00 0.00 C ATOM 504 OG1 THR A 34 6.079 10.572 4.876 1.00 0.00 O ATOM 505 CG2 THR A 34 7.783 10.859 3.200 1.00 0.00 C ATOM 0 H THR A 34 4.103 9.607 3.947 1.00 0.00 H new ATOM 0 HA THR A 34 5.370 11.633 2.456 1.00 0.00 H new ATOM 0 HB THR A 34 6.618 9.085 3.549 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.528 9.872 5.285 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.557 10.582 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.086 10.551 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.641 11.940 3.220 1.00 0.00 H new ATOM 513 N VAL A 35 5.435 8.595 1.130 1.00 0.00 N ATOM 514 CA VAL A 35 5.670 7.866 -0.120 1.00 0.00 C ATOM 515 C VAL A 35 4.783 8.412 -1.236 1.00 0.00 C ATOM 516 O VAL A 35 5.191 8.478 -2.393 1.00 0.00 O ATOM 517 CB VAL A 35 5.370 6.375 0.086 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.640 5.606 -1.211 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.258 5.819 1.201 1.00 0.00 C ATOM 0 H VAL A 35 5.091 8.019 1.899 1.00 0.00 H new ATOM 0 HA VAL A 35 6.714 7.996 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 35 4.322 6.258 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.425 4.548 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.002 5.995 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.686 5.727 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.042 4.760 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.306 5.942 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.060 6.358 2.127 1.00 0.00 H new ATOM 529 N MET A 36 3.570 8.809 -0.880 1.00 0.00 N ATOM 530 CA MET A 36 2.648 9.360 -1.876 1.00 0.00 C ATOM 531 C MET A 36 3.127 10.715 -2.401 1.00 0.00 C ATOM 532 O MET A 36 3.148 10.951 -3.612 1.00 0.00 O ATOM 533 CB MET A 36 1.249 9.493 -1.272 1.00 0.00 C ATOM 534 CG MET A 36 0.699 8.100 -0.957 1.00 0.00 C ATOM 535 SD MET A 36 0.449 7.171 -2.492 1.00 0.00 S ATOM 536 CE MET A 36 -1.331 7.450 -2.653 1.00 0.00 C ATOM 0 H MET A 36 3.202 8.764 0.070 1.00 0.00 H new ATOM 0 HA MET A 36 2.616 8.672 -2.721 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.288 10.095 -0.364 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.587 10.009 -1.968 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.391 7.565 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.244 8.186 -0.417 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.697 6.953 -3.552 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.843 7.045 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.527 8.520 -2.724 1.00 0.00 H new ATOM 546 N ARG A 37 3.515 11.602 -1.488 1.00 0.00 N ATOM 547 CA ARG A 37 3.994 12.926 -1.879 1.00 0.00 C ATOM 548 C ARG A 37 5.324 12.815 -2.623 1.00 0.00 C ATOM 549 O ARG A 37 5.508 13.421 -3.680 1.00 0.00 O ATOM 550 CB ARG A 37 4.148 13.818 -0.654 1.00 0.00 C ATOM 551 CG ARG A 37 4.525 15.226 -1.113 1.00 0.00 C ATOM 552 CD ARG A 37 4.458 16.172 0.074 1.00 0.00 C ATOM 553 NE ARG A 37 4.903 17.506 -0.322 1.00 0.00 N ATOM 554 CZ ARG A 37 4.065 18.385 -0.864 1.00 0.00 C ATOM 555 NH1 ARG A 37 2.809 18.072 -1.035 1.00 0.00 N ATOM 556 NH2 ARG A 37 4.498 19.560 -1.228 1.00 0.00 N ATOM 0 H ARG A 37 3.508 11.431 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 37 3.259 13.375 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.218 13.843 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.916 13.419 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.529 15.227 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.846 15.560 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.438 16.219 0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.084 15.797 0.884 1.00 0.00 H new ATOM 0 HE ARG A 37 5.878 17.769 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.470 17.152 -0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.167 18.747 -1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.479 19.805 -1.097 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.855 20.234 -1.644 1.00 0.00 H new ATOM 570 N SER A 38 6.246 12.038 -2.060 1.00 0.00 N ATOM 571 CA SER A 38 7.563 11.857 -2.669 1.00 0.00 C ATOM 572 C SER A 38 7.429 11.432 -4.128 1.00 0.00 C ATOM 573 O SER A 38 8.328 11.668 -4.934 1.00 0.00 O ATOM 574 CB SER A 38 8.350 10.791 -1.906 1.00 0.00 C ATOM 575 OG SER A 38 7.622 9.570 -1.916 1.00 0.00 O ATOM 0 H SER A 38 6.108 11.526 -1.189 1.00 0.00 H new ATOM 0 HA SER A 38 8.092 12.809 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.328 10.648 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.523 11.116 -0.880 1.00 0.00 H new ATOM 0 HG SER A 38 6.729 9.724 -2.290 1.00 0.00 H new ATOM 581 N LEU A 39 6.303 10.808 -4.462 1.00 0.00 N ATOM 582 CA LEU A 39 6.066 10.357 -5.832 1.00 0.00 C ATOM 583 C LEU A 39 5.526 11.493 -6.701 1.00 0.00 C ATOM 584 O LEU A 39 5.488 11.380 -7.927 1.00 0.00 O ATOM 585 CB LEU A 39 5.080 9.193 -5.816 1.00 0.00 C ATOM 586 CG LEU A 39 5.755 7.954 -5.204 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.681 6.947 -4.788 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.693 7.290 -6.228 1.00 0.00 C ATOM 0 H LEU A 39 5.546 10.604 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 39 7.013 10.031 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.195 9.460 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.744 8.973 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 39 6.337 8.265 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.156 6.067 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.020 7.404 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.101 6.652 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.162 6.415 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.119 6.984 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.463 8.000 -6.530 1.00 0.00 H new ATOM 600 N GLY A 40 5.133 12.595 -6.062 1.00 0.00 N ATOM 601 CA GLY A 40 4.622 13.759 -6.791 1.00 0.00 C ATOM 602 C GLY A 40 3.099 13.802 -6.796 1.00 0.00 C ATOM 603 O GLY A 40 2.494 14.475 -7.630 1.00 0.00 O ATOM 0 H GLY A 40 5.158 12.707 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.010 14.671 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.988 13.734 -7.817 1.00 0.00 H new ATOM 607 N GLN A 41 2.479 13.083 -5.866 1.00 0.00 N ATOM 608 CA GLN A 41 1.021 13.058 -5.784 1.00 0.00 C ATOM 609 C GLN A 41 0.502 14.256 -4.985 1.00 0.00 C ATOM 610 O GLN A 41 0.886 14.465 -3.834 1.00 0.00 O ATOM 611 CB GLN A 41 0.565 11.750 -5.132 1.00 0.00 C ATOM 612 CG GLN A 41 1.038 10.551 -5.968 1.00 0.00 C ATOM 613 CD GLN A 41 0.448 10.598 -7.377 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.756 10.798 -7.541 1.00 0.00 O ATOM 615 NE2 GLN A 41 1.226 10.417 -8.410 1.00 0.00 N ATOM 0 H GLN A 41 2.956 12.515 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 41 0.612 13.120 -6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.966 11.679 -4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.521 11.737 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.126 10.550 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.744 9.623 -5.478 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.223 10.251 -8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.836 10.441 -9.352 1.00 0.00 H new ATOM 624 N ASN A 42 -0.364 15.045 -5.620 1.00 0.00 N ATOM 625 CA ASN A 42 -0.927 16.240 -4.989 1.00 0.00 C ATOM 626 C ASN A 42 -1.311 15.978 -3.525 1.00 0.00 C ATOM 627 O ASN A 42 -1.702 14.863 -3.175 1.00 0.00 O ATOM 628 CB ASN A 42 -2.165 16.695 -5.767 1.00 0.00 C ATOM 629 CG ASN A 42 -3.142 15.534 -5.919 1.00 0.00 C ATOM 630 OD1 ASN A 42 -2.744 14.436 -6.304 1.00 0.00 O ATOM 631 ND2 ASN A 42 -4.404 15.712 -5.641 1.00 0.00 N ATOM 0 H ASN A 42 -0.692 14.879 -6.572 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.165 17.020 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.648 17.522 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.872 17.065 -6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.063 14.940 -5.743 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.732 16.623 -5.322 1.00 0.00 H new ATOM 638 N PRO A 43 -1.225 16.978 -2.667 1.00 0.00 N ATOM 639 CA PRO A 43 -1.586 16.823 -1.228 1.00 0.00 C ATOM 640 C PRO A 43 -2.864 16.001 -1.048 1.00 0.00 C ATOM 641 O PRO A 43 -3.931 16.371 -1.539 1.00 0.00 O ATOM 642 CB PRO A 43 -1.786 18.269 -0.746 1.00 0.00 C ATOM 643 CG PRO A 43 -0.935 19.116 -1.646 1.00 0.00 C ATOM 644 CD PRO A 43 -0.768 18.347 -2.971 1.00 0.00 C ATOM 0 HA PRO A 43 -0.822 16.287 -0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.834 18.561 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.486 18.380 0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.404 20.084 -1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.035 19.309 -1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.362 18.796 -3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.270 18.354 -3.305 1.00 0.00 H new ATOM 652 N THR A 44 -2.743 14.882 -0.337 1.00 0.00 N ATOM 653 CA THR A 44 -3.887 14.006 -0.093 1.00 0.00 C ATOM 654 C THR A 44 -3.721 13.270 1.235 1.00 0.00 C ATOM 655 O THR A 44 -4.397 12.277 1.499 1.00 0.00 O ATOM 656 CB THR A 44 -4.029 13.002 -1.242 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.186 12.206 -1.034 1.00 0.00 O ATOM 658 CG2 THR A 44 -2.794 12.101 -1.309 1.00 0.00 C ATOM 0 H THR A 44 -1.868 14.561 0.079 1.00 0.00 H new ATOM 0 HA THR A 44 -4.790 14.614 -0.040 1.00 0.00 H new ATOM 0 HB THR A 44 -4.122 13.547 -2.181 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.278 11.564 -1.769 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.905 11.391 -2.129 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.907 12.712 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.689 11.557 -0.370 1.00 0.00 H new ATOM 666 N GLU A 45 -2.824 13.780 2.076 1.00 0.00 N ATOM 667 CA GLU A 45 -2.576 13.179 3.383 1.00 0.00 C ATOM 668 C GLU A 45 -3.885 13.032 4.159 1.00 0.00 C ATOM 669 O GLU A 45 -3.993 12.224 5.089 1.00 0.00 O ATOM 670 CB GLU A 45 -1.589 14.056 4.170 1.00 0.00 C ATOM 671 CG GLU A 45 -2.187 15.453 4.379 1.00 0.00 C ATOM 672 CD GLU A 45 -1.189 16.352 5.103 1.00 0.00 C ATOM 673 OE1 GLU A 45 -0.171 15.843 5.540 1.00 0.00 O ATOM 674 OE2 GLU A 45 -1.453 17.538 5.199 1.00 0.00 O ATOM 0 H GLU A 45 -2.259 14.605 1.876 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.146 12.187 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.369 13.597 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.645 14.132 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.450 15.891 3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.108 15.379 4.958 1.00 0.00 H new ATOM 681 N ALA A 46 -4.892 13.796 3.747 1.00 0.00 N ATOM 682 CA ALA A 46 -6.202 13.732 4.385 1.00 0.00 C ATOM 683 C ALA A 46 -6.941 12.469 3.947 1.00 0.00 C ATOM 684 O ALA A 46 -7.586 11.795 4.753 1.00 0.00 O ATOM 685 CB ALA A 46 -7.019 14.973 4.015 1.00 0.00 C ATOM 0 H ALA A 46 -4.827 14.463 2.978 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.069 13.701 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.997 14.921 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.496 15.867 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.146 15.015 2.933 1.00 0.00 H new ATOM 691 N GLU A 47 -6.828 12.155 2.659 1.00 0.00 N ATOM 692 CA GLU A 47 -7.475 10.976 2.100 1.00 0.00 C ATOM 693 C GLU A 47 -7.008 9.731 2.851 1.00 0.00 C ATOM 694 O GLU A 47 -7.811 8.868 3.206 1.00 0.00 O ATOM 695 CB GLU A 47 -7.111 10.859 0.611 1.00 0.00 C ATOM 696 CG GLU A 47 -7.884 9.712 -0.053 1.00 0.00 C ATOM 697 CD GLU A 47 -9.364 10.060 -0.165 1.00 0.00 C ATOM 698 OE1 GLU A 47 -9.715 11.186 0.148 1.00 0.00 O ATOM 699 OE2 GLU A 47 -10.130 9.196 -0.564 1.00 0.00 O ATOM 0 H GLU A 47 -6.294 12.702 1.984 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.557 11.066 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.336 11.797 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.039 10.689 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.475 9.515 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.762 8.799 0.529 1.00 0.00 H new ATOM 706 N LEU A 48 -5.703 9.659 3.102 1.00 0.00 N ATOM 707 CA LEU A 48 -5.132 8.526 3.825 1.00 0.00 C ATOM 708 C LEU A 48 -5.717 8.456 5.234 1.00 0.00 C ATOM 709 O LEU A 48 -6.216 7.414 5.659 1.00 0.00 O ATOM 710 CB LEU A 48 -3.610 8.696 3.914 1.00 0.00 C ATOM 711 CG LEU A 48 -2.954 8.292 2.591 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.665 8.976 1.420 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.488 8.722 2.609 1.00 0.00 C ATOM 0 H LEU A 48 -5.025 10.366 2.818 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.371 7.605 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.366 9.732 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.215 8.085 4.725 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.027 7.211 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.190 8.682 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.713 8.676 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.599 10.058 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.014 8.438 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.427 9.803 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.975 8.232 3.437 1.00 0.00 H new ATOM 725 N GLN A 49 -5.649 9.575 5.950 1.00 0.00 N ATOM 726 CA GLN A 49 -6.165 9.628 7.319 1.00 0.00 C ATOM 727 C GLN A 49 -7.563 9.016 7.398 1.00 0.00 C ATOM 728 O GLN A 49 -7.875 8.267 8.325 1.00 0.00 O ATOM 729 CB GLN A 49 -6.231 11.083 7.792 1.00 0.00 C ATOM 730 CG GLN A 49 -4.823 11.609 8.079 1.00 0.00 C ATOM 731 CD GLN A 49 -4.858 13.118 8.280 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.923 13.731 8.218 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.748 13.756 8.522 1.00 0.00 N ATOM 0 H GLN A 49 -5.247 10.449 5.612 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.492 9.057 7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.709 11.699 7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.844 11.154 8.691 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.420 11.125 8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.158 11.360 7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.867 13.245 8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.760 14.766 8.661 1.00 0.00 H new ATOM 742 N ASP A 50 -8.394 9.340 6.419 1.00 0.00 N ATOM 743 CA ASP A 50 -9.762 8.829 6.380 1.00 0.00 C ATOM 744 C ASP A 50 -9.813 7.391 5.861 1.00 0.00 C ATOM 745 O ASP A 50 -10.565 6.565 6.377 1.00 0.00 O ATOM 746 CB ASP A 50 -10.616 9.728 5.490 1.00 0.00 C ATOM 747 CG ASP A 50 -12.050 9.210 5.429 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.305 8.152 5.979 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.872 9.881 4.830 1.00 0.00 O ATOM 0 H ASP A 50 -8.149 9.953 5.641 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.152 8.830 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.607 10.747 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.193 9.764 4.486 1.00 0.00 H new ATOM 754 N MET A 51 -9.024 7.099 4.826 1.00 0.00 N ATOM 755 CA MET A 51 -9.024 5.760 4.238 1.00 0.00 C ATOM 756 C MET A 51 -8.558 4.719 5.250 1.00 0.00 C ATOM 757 O MET A 51 -9.222 3.704 5.458 1.00 0.00 O ATOM 758 CB MET A 51 -8.095 5.736 3.020 1.00 0.00 C ATOM 759 CG MET A 51 -8.794 6.373 1.816 1.00 0.00 C ATOM 760 SD MET A 51 -10.133 5.287 1.258 1.00 0.00 S ATOM 761 CE MET A 51 -11.441 6.536 1.165 1.00 0.00 C ATOM 0 H MET A 51 -8.386 7.761 4.383 1.00 0.00 H new ATOM 0 HA MET A 51 -10.043 5.517 3.936 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.174 6.275 3.244 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.814 4.709 2.787 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.192 7.351 2.087 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.079 6.533 1.009 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.414 6.050 1.241 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.325 7.246 1.984 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.373 7.064 0.214 1.00 0.00 H new ATOM 771 N ILE A 52 -7.422 4.979 5.891 1.00 0.00 N ATOM 772 CA ILE A 52 -6.898 4.047 6.880 1.00 0.00 C ATOM 773 C ILE A 52 -7.858 3.948 8.062 1.00 0.00 C ATOM 774 O ILE A 52 -8.154 2.857 8.547 1.00 0.00 O ATOM 775 CB ILE A 52 -5.506 4.497 7.351 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.511 4.328 6.192 1.00 0.00 C ATOM 777 CG2 ILE A 52 -5.058 3.647 8.550 1.00 0.00 C ATOM 778 CD1 ILE A 52 -3.121 4.808 6.618 1.00 0.00 C ATOM 0 H ILE A 52 -6.855 5.814 5.746 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.804 3.062 6.424 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.542 5.542 7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.466 3.281 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.850 4.895 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.071 3.972 8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.769 3.767 9.367 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.016 2.598 8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.424 4.684 5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.169 5.861 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.779 4.222 7.471 1.00 0.00 H new ATOM 790 N ASN A 53 -8.353 5.097 8.510 1.00 0.00 N ATOM 791 CA ASN A 53 -9.286 5.140 9.632 1.00 0.00 C ATOM 792 C ASN A 53 -10.393 4.099 9.470 1.00 0.00 C ATOM 793 O ASN A 53 -11.091 3.772 10.429 1.00 0.00 O ATOM 794 CB ASN A 53 -9.898 6.538 9.736 1.00 0.00 C ATOM 795 CG ASN A 53 -10.993 6.566 10.796 1.00 0.00 C ATOM 796 OD1 ASN A 53 -10.790 6.091 11.914 1.00 0.00 O ATOM 797 ND2 ASN A 53 -12.147 7.098 10.513 1.00 0.00 N ATOM 0 H ASN A 53 -8.125 6.009 8.115 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.737 4.910 10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.123 7.263 9.986 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.310 6.833 8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.884 7.122 11.218 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.314 7.491 9.587 1.00 0.00 H new ATOM 804 N GLU A 54 -10.562 3.591 8.249 1.00 0.00 N ATOM 805 CA GLU A 54 -11.605 2.598 7.973 1.00 0.00 C ATOM 806 C GLU A 54 -11.020 1.192 7.822 1.00 0.00 C ATOM 807 O GLU A 54 -11.450 0.260 8.503 1.00 0.00 O ATOM 808 CB GLU A 54 -12.350 2.983 6.690 1.00 0.00 C ATOM 809 CG GLU A 54 -13.124 4.290 6.904 1.00 0.00 C ATOM 810 CD GLU A 54 -14.217 4.099 7.953 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.582 2.962 8.196 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.672 5.094 8.496 1.00 0.00 O ATOM 0 H GLU A 54 -9.996 3.847 7.440 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.292 2.587 8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.642 3.100 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.037 2.186 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.440 5.077 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.568 4.615 5.963 1.00 0.00 H new ATOM 819 N VAL A 55 -10.052 1.035 6.918 1.00 0.00 N ATOM 820 CA VAL A 55 -9.441 -0.278 6.676 1.00 0.00 C ATOM 821 C VAL A 55 -8.233 -0.527 7.587 1.00 0.00 C ATOM 822 O VAL A 55 -7.266 -1.168 7.173 1.00 0.00 O ATOM 823 CB VAL A 55 -9.011 -0.392 5.208 1.00 0.00 C ATOM 824 CG1 VAL A 55 -10.219 -0.153 4.303 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.935 0.652 4.899 1.00 0.00 C ATOM 0 H VAL A 55 -9.675 1.790 6.345 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.192 -1.035 6.904 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.609 -1.389 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.914 -0.234 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.986 -0.898 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.620 0.844 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.634 0.566 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.334 1.650 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.070 0.484 5.541 1.00 0.00 H new ATOM 835 N ASP A 56 -8.290 -0.028 8.822 1.00 0.00 N ATOM 836 CA ASP A 56 -7.183 -0.218 9.767 1.00 0.00 C ATOM 837 C ASP A 56 -7.317 -1.550 10.512 1.00 0.00 C ATOM 838 O ASP A 56 -6.327 -2.115 10.981 1.00 0.00 O ATOM 839 CB ASP A 56 -7.145 0.935 10.770 1.00 0.00 C ATOM 840 CG ASP A 56 -6.045 0.697 11.792 1.00 0.00 C ATOM 841 OD1 ASP A 56 -4.934 1.126 11.545 1.00 0.00 O ATOM 842 OD2 ASP A 56 -6.325 0.090 12.807 1.00 0.00 O ATOM 0 H ASP A 56 -9.078 0.504 9.190 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.253 -0.234 9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.971 1.876 10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.108 1.022 11.273 1.00 0.00 H new ATOM 847 N ALA A 57 -8.546 -2.052 10.605 1.00 0.00 N ATOM 848 CA ALA A 57 -8.822 -3.319 11.274 1.00 0.00 C ATOM 849 C ALA A 57 -8.935 -3.132 12.785 1.00 0.00 C ATOM 850 O ALA A 57 -9.985 -3.399 13.371 1.00 0.00 O ATOM 851 CB ALA A 57 -7.729 -4.345 10.936 1.00 0.00 C ATOM 0 H ALA A 57 -9.373 -1.595 10.221 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.780 -3.694 10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.945 -5.287 11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.704 -4.508 9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.762 -3.969 11.269 1.00 0.00 H new ATOM 857 N ASP A 58 -7.856 -2.684 13.410 1.00 0.00 N ATOM 858 CA ASP A 58 -7.845 -2.472 14.856 1.00 0.00 C ATOM 859 C ASP A 58 -8.130 -1.011 15.210 1.00 0.00 C ATOM 860 O ASP A 58 -8.221 -0.660 16.387 1.00 0.00 O ATOM 861 CB ASP A 58 -6.475 -2.860 15.403 1.00 0.00 C ATOM 862 CG ASP A 58 -6.320 -4.377 15.441 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.299 -5.062 15.204 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.221 -4.832 15.714 1.00 0.00 O ATOM 0 H ASP A 58 -6.977 -2.460 12.943 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.627 -3.089 15.299 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.693 -2.425 14.781 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.349 -2.451 16.406 1.00 0.00 H new ATOM 869 N GLY A 59 -8.245 -0.162 14.196 1.00 0.00 N ATOM 870 CA GLY A 59 -8.493 1.258 14.431 1.00 0.00 C ATOM 871 C GLY A 59 -7.260 1.908 15.054 1.00 0.00 C ATOM 872 O GLY A 59 -7.337 2.998 15.623 1.00 0.00 O ATOM 0 H GLY A 59 -8.172 -0.426 13.213 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.739 1.753 13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.352 1.381 15.091 1.00 0.00 H new ATOM 876 N ASN A 60 -6.130 1.217 14.947 1.00 0.00 N ATOM 877 CA ASN A 60 -4.873 1.700 15.506 1.00 0.00 C ATOM 878 C ASN A 60 -4.298 2.820 14.644 1.00 0.00 C ATOM 879 O ASN A 60 -3.511 3.641 15.115 1.00 0.00 O ATOM 880 CB ASN A 60 -3.877 0.536 15.571 1.00 0.00 C ATOM 881 CG ASN A 60 -4.306 -0.469 16.637 1.00 0.00 C ATOM 882 OD1 ASN A 60 -5.031 -0.119 17.568 1.00 0.00 O ATOM 883 ND2 ASN A 60 -3.905 -1.709 16.551 1.00 0.00 N ATOM 0 H ASN A 60 -6.059 0.315 14.475 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.054 2.093 16.506 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.818 0.044 14.600 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.880 0.914 15.798 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.193 -2.388 17.256 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.304 -1.998 15.779 1.00 0.00 H new ATOM 890 N GLY A 61 -4.696 2.838 13.374 1.00 0.00 N ATOM 891 CA GLY A 61 -4.219 3.851 12.437 1.00 0.00 C ATOM 892 C GLY A 61 -3.101 3.301 11.555 1.00 0.00 C ATOM 893 O GLY A 61 -2.572 4.007 10.695 1.00 0.00 O ATOM 0 H GLY A 61 -5.347 2.164 12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.045 4.191 11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.858 4.719 12.988 1.00 0.00 H new ATOM 897 N THR A 62 -2.745 2.032 11.774 1.00 0.00 N ATOM 898 CA THR A 62 -1.688 1.388 10.993 1.00 0.00 C ATOM 899 C THR A 62 -2.213 0.141 10.287 1.00 0.00 C ATOM 900 O THR A 62 -3.185 -0.477 10.731 1.00 0.00 O ATOM 901 CB THR A 62 -0.528 0.998 11.914 1.00 0.00 C ATOM 902 OG1 THR A 62 -0.845 -0.213 12.587 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.294 2.104 12.943 1.00 0.00 C ATOM 0 H THR A 62 -3.171 1.434 12.482 1.00 0.00 H new ATOM 0 HA THR A 62 -1.342 2.096 10.240 1.00 0.00 H new ATOM 0 HB THR A 62 0.375 0.860 11.319 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.103 -0.464 13.175 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.532 1.824 13.597 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.050 3.034 12.429 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.196 2.244 13.538 1.00 0.00 H new ATOM 911 N ILE A 63 -1.554 -0.228 9.187 1.00 0.00 N ATOM 912 CA ILE A 63 -1.942 -1.412 8.415 1.00 0.00 C ATOM 913 C ILE A 63 -0.976 -2.559 8.694 1.00 0.00 C ATOM 914 O ILE A 63 0.236 -2.428 8.495 1.00 0.00 O ATOM 915 CB ILE A 63 -1.934 -1.098 6.915 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.644 0.241 6.670 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.655 -2.210 6.149 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.030 0.230 7.318 1.00 0.00 C ATOM 0 H ILE A 63 -0.750 0.275 8.810 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.949 -1.703 8.715 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.904 -1.033 6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.049 1.057 7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.737 0.421 5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.647 -1.982 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.147 -3.159 6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.686 -2.282 6.496 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.524 1.185 7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.627 -0.574 6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.928 0.071 8.392 1.00 0.00 H new ATOM 930 N ASP A 64 -1.524 -3.669 9.180 1.00 0.00 N ATOM 931 CA ASP A 64 -0.717 -4.839 9.515 1.00 0.00 C ATOM 932 C ASP A 64 -0.424 -5.687 8.278 1.00 0.00 C ATOM 933 O ASP A 64 -0.920 -5.415 7.184 1.00 0.00 O ATOM 934 CB ASP A 64 -1.451 -5.686 10.556 1.00 0.00 C ATOM 935 CG ASP A 64 -1.562 -4.920 11.869 1.00 0.00 C ATOM 936 OD1 ASP A 64 -0.781 -4.006 12.068 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.427 -5.258 12.658 1.00 0.00 O ATOM 0 H ASP A 64 -2.523 -3.783 9.351 1.00 0.00 H new ATOM 0 HA ASP A 64 0.233 -4.491 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.445 -5.944 10.191 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.917 -6.623 10.716 1.00 0.00 H new ATOM 942 N PHE A 65 0.398 -6.714 8.473 1.00 0.00 N ATOM 943 CA PHE A 65 0.790 -7.620 7.393 1.00 0.00 C ATOM 944 C PHE A 65 -0.427 -8.166 6.623 1.00 0.00 C ATOM 945 O PHE A 65 -0.585 -7.897 5.431 1.00 0.00 O ATOM 946 CB PHE A 65 1.606 -8.791 7.991 1.00 0.00 C ATOM 947 CG PHE A 65 3.088 -8.524 7.892 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.604 -7.308 8.341 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.945 -9.500 7.365 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.978 -7.063 8.269 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.318 -9.255 7.289 1.00 0.00 C ATOM 952 CZ PHE A 65 5.835 -8.036 7.740 1.00 0.00 C ATOM 0 H PHE A 65 0.810 -6.943 9.378 1.00 0.00 H new ATOM 0 HA PHE A 65 1.395 -7.059 6.681 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.328 -8.937 9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.363 -9.714 7.465 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.942 -6.556 8.744 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.544 -10.441 7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.379 -6.124 8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.980 -10.006 6.883 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.896 -7.845 7.680 1.00 0.00 H new ATOM 962 N PRO A 66 -1.259 -8.958 7.262 1.00 0.00 N ATOM 963 CA PRO A 66 -2.449 -9.586 6.600 1.00 0.00 C ATOM 964 C PRO A 66 -3.385 -8.568 5.955 1.00 0.00 C ATOM 965 O PRO A 66 -3.851 -8.761 4.830 1.00 0.00 O ATOM 966 CB PRO A 66 -3.156 -10.346 7.746 1.00 0.00 C ATOM 967 CG PRO A 66 -2.597 -9.780 9.013 1.00 0.00 C ATOM 968 CD PRO A 66 -1.174 -9.337 8.684 1.00 0.00 C ATOM 0 HA PRO A 66 -2.148 -10.231 5.775 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.236 -10.208 7.699 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.968 -11.418 7.680 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.196 -8.939 9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.600 -10.526 9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.859 -8.499 9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.455 -10.140 8.844 1.00 0.00 H new ATOM 976 N GLU A 67 -3.664 -7.499 6.676 1.00 0.00 N ATOM 977 CA GLU A 67 -4.564 -6.469 6.177 1.00 0.00 C ATOM 978 C GLU A 67 -4.173 -6.050 4.770 1.00 0.00 C ATOM 979 O GLU A 67 -4.996 -6.077 3.853 1.00 0.00 O ATOM 980 CB GLU A 67 -4.511 -5.255 7.103 1.00 0.00 C ATOM 981 CG GLU A 67 -5.010 -5.653 8.493 1.00 0.00 C ATOM 982 CD GLU A 67 -6.478 -6.052 8.421 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.248 -5.295 7.856 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.810 -7.113 8.923 1.00 0.00 O ATOM 0 H GLU A 67 -3.284 -7.319 7.605 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.576 -6.873 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.491 -4.876 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.126 -4.450 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.417 -6.482 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.884 -4.822 9.186 1.00 0.00 H new ATOM 991 N PHE A 68 -2.914 -5.673 4.605 1.00 0.00 N ATOM 992 CA PHE A 68 -2.424 -5.254 3.303 1.00 0.00 C ATOM 993 C PHE A 68 -2.553 -6.398 2.312 1.00 0.00 C ATOM 994 O PHE A 68 -3.045 -6.224 1.204 1.00 0.00 O ATOM 995 CB PHE A 68 -0.963 -4.832 3.408 1.00 0.00 C ATOM 996 CG PHE A 68 -0.539 -4.160 2.122 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.257 -4.929 0.986 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.417 -2.766 2.068 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.145 -4.305 -0.200 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.017 -2.143 0.881 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.266 -2.912 -0.253 1.00 0.00 C ATOM 0 H PHE A 68 -2.219 -5.649 5.351 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.017 -4.408 2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.830 -4.150 4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.335 -5.702 3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.350 -6.004 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.632 -2.171 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.362 -4.899 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.073 -1.068 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.578 -2.431 -1.168 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.125 -7.574 2.726 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.202 -8.738 1.851 1.00 0.00 C ATOM 1013 C LEU A 69 -3.619 -8.894 1.301 1.00 0.00 C ATOM 1014 O LEU A 69 -3.815 -9.281 0.157 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.779 -9.992 2.634 1.00 0.00 C ATOM 1016 CG LEU A 69 -1.962 -11.280 1.801 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -3.452 -11.693 1.700 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -1.353 -11.075 0.406 1.00 0.00 C ATOM 0 H LEU A 69 -1.725 -7.753 3.647 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.526 -8.603 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.735 -9.898 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.367 -10.065 3.549 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.443 -12.095 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.538 -12.603 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.848 -11.873 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.020 -10.894 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.481 -11.983 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.855 -10.245 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.291 -10.851 0.502 1.00 0.00 H new ATOM 1030 N THR A 70 -4.615 -8.613 2.124 1.00 0.00 N ATOM 1031 CA THR A 70 -6.001 -8.763 1.690 1.00 0.00 C ATOM 1032 C THR A 70 -6.476 -7.594 0.829 1.00 0.00 C ATOM 1033 O THR A 70 -6.712 -7.749 -0.370 1.00 0.00 O ATOM 1034 CB THR A 70 -6.895 -8.891 2.919 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.531 -10.059 3.640 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.356 -8.988 2.489 1.00 0.00 C ATOM 0 H THR A 70 -4.498 -8.285 3.083 1.00 0.00 H new ATOM 0 HA THR A 70 -6.061 -9.660 1.073 1.00 0.00 H new ATOM 0 HB THR A 70 -6.769 -8.014 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.697 -9.895 4.128 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.990 -9.079 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.632 -8.091 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.491 -9.863 1.853 1.00 0.00 H new ATOM 1044 N MET A 71 -6.640 -6.433 1.448 1.00 0.00 N ATOM 1045 CA MET A 71 -7.128 -5.258 0.728 1.00 0.00 C ATOM 1046 C MET A 71 -6.348 -5.024 -0.565 1.00 0.00 C ATOM 1047 O MET A 71 -6.825 -4.327 -1.459 1.00 0.00 O ATOM 1048 CB MET A 71 -7.073 -4.013 1.626 1.00 0.00 C ATOM 1049 CG MET A 71 -5.628 -3.563 1.822 1.00 0.00 C ATOM 1050 SD MET A 71 -5.580 -2.149 2.951 1.00 0.00 S ATOM 1051 CE MET A 71 -5.465 -3.087 4.496 1.00 0.00 C ATOM 0 H MET A 71 -6.445 -6.277 2.437 1.00 0.00 H new ATOM 0 HA MET A 71 -8.166 -5.447 0.455 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.654 -3.207 1.178 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.526 -4.233 2.592 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.033 -4.383 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.188 -3.290 0.863 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.706 -2.436 5.336 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.168 -3.920 4.469 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.452 -3.471 4.614 1.00 0.00 H new ATOM 1061 N MET A 72 -5.158 -5.614 -0.676 1.00 0.00 N ATOM 1062 CA MET A 72 -4.350 -5.462 -1.893 1.00 0.00 C ATOM 1063 C MET A 72 -4.679 -6.553 -2.923 1.00 0.00 C ATOM 1064 O MET A 72 -4.500 -6.361 -4.126 1.00 0.00 O ATOM 1065 CB MET A 72 -2.855 -5.476 -1.541 1.00 0.00 C ATOM 1066 CG MET A 72 -2.341 -6.915 -1.425 1.00 0.00 C ATOM 1067 SD MET A 72 -1.756 -7.477 -3.043 1.00 0.00 S ATOM 1068 CE MET A 72 -1.177 -9.109 -2.521 1.00 0.00 C ATOM 0 H MET A 72 -4.734 -6.194 0.048 1.00 0.00 H new ATOM 0 HA MET A 72 -4.594 -4.501 -2.345 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.291 -4.943 -2.306 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.692 -4.949 -0.601 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.532 -6.966 -0.696 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.136 -7.569 -1.066 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.495 -9.510 -3.271 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.657 -9.023 -1.567 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.029 -9.779 -2.411 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.141 -7.705 -2.433 1.00 0.00 N ATOM 1079 CA ALA A 73 -5.472 -8.836 -3.304 1.00 0.00 C ATOM 1080 C ALA A 73 -6.524 -8.456 -4.341 1.00 0.00 C ATOM 1081 O ALA A 73 -6.464 -8.896 -5.490 1.00 0.00 O ATOM 1082 CB ALA A 73 -6.001 -9.995 -2.454 1.00 0.00 C ATOM 0 H ALA A 73 -5.294 -7.880 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.565 -9.132 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.248 -10.837 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.238 -10.299 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.895 -9.675 -1.918 1.00 0.00 H new ATOM 1088 N ARG A 74 -7.493 -7.647 -3.929 1.00 0.00 N ATOM 1089 CA ARG A 74 -8.555 -7.232 -4.836 1.00 0.00 C ATOM 1090 C ARG A 74 -7.960 -6.662 -6.127 1.00 0.00 C ATOM 1091 O ARG A 74 -8.148 -7.221 -7.208 1.00 0.00 O ATOM 1092 CB ARG A 74 -9.424 -6.176 -4.143 1.00 0.00 C ATOM 1093 CG ARG A 74 -10.084 -6.796 -2.904 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.879 -5.729 -2.148 1.00 0.00 C ATOM 1095 NE ARG A 74 -12.003 -5.266 -2.958 1.00 0.00 N ATOM 1096 CZ ARG A 74 -12.785 -4.270 -2.550 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -12.568 -3.696 -1.398 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -13.775 -3.870 -3.298 1.00 0.00 N ATOM 0 H ARG A 74 -7.565 -7.269 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.168 -8.096 -5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.815 -5.319 -3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.186 -5.808 -4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.744 -7.611 -3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.323 -7.225 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.245 -6.138 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.230 -4.889 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.192 -5.715 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.798 -4.011 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.169 -2.933 -1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.950 -4.321 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.374 -3.106 -2.985 1.00 0.00 H new ATOM 1112 N LYS A 75 -7.234 -5.555 -6.002 1.00 0.00 N ATOM 1113 CA LYS A 75 -6.602 -4.917 -7.157 1.00 0.00 C ATOM 1114 C LYS A 75 -7.547 -4.877 -8.357 1.00 0.00 C ATOM 1115 O LYS A 75 -7.125 -5.051 -9.500 1.00 0.00 O ATOM 1116 CB LYS A 75 -5.315 -5.674 -7.527 1.00 0.00 C ATOM 1117 CG LYS A 75 -4.349 -4.740 -8.274 1.00 0.00 C ATOM 1118 CD LYS A 75 -3.028 -5.466 -8.565 1.00 0.00 C ATOM 1119 CE LYS A 75 -2.179 -5.574 -7.291 1.00 0.00 C ATOM 1120 NZ LYS A 75 -0.790 -5.972 -7.660 1.00 0.00 N ATOM 0 H LYS A 75 -7.068 -5.080 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.358 -3.889 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.838 -6.058 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.557 -6.535 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.803 -4.407 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.158 -3.849 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.233 -6.462 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.473 -4.928 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.169 -4.620 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.612 -6.308 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.210 -6.047 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.810 -6.892 -8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.380 -5.256 -8.293 1.00 0.00 H new ATOM 1134 N MET A 76 -8.827 -4.643 -8.087 1.00 0.00 N ATOM 1135 CA MET A 76 -9.826 -4.576 -9.146 1.00 0.00 C ATOM 1136 C MET A 76 -9.897 -5.905 -9.897 1.00 0.00 C ATOM 1137 O MET A 76 -9.071 -6.191 -10.766 1.00 0.00 O ATOM 1138 CB MET A 76 -9.484 -3.424 -10.110 1.00 0.00 C ATOM 1139 CG MET A 76 -10.753 -2.885 -10.788 1.00 0.00 C ATOM 1140 SD MET A 76 -10.323 -1.420 -11.765 1.00 0.00 S ATOM 1141 CE MET A 76 -11.474 -1.689 -13.137 1.00 0.00 C ATOM 0 H MET A 76 -9.196 -4.497 -7.147 1.00 0.00 H new ATOM 0 HA MET A 76 -10.803 -4.385 -8.703 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.989 -2.621 -9.563 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.782 -3.774 -10.867 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.191 -3.650 -11.429 1.00 0.00 H new ATOM 0 HG3 MET A 76 -11.502 -2.631 -10.038 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.369 -0.883 -13.864 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.252 -2.642 -13.617 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.496 -1.704 -12.757 1.00 0.00 H new ATOM 1151 N LYS A 77 -10.895 -6.703 -9.543 1.00 0.00 N ATOM 1152 CA LYS A 77 -11.097 -8.001 -10.167 1.00 0.00 C ATOM 1153 C LYS A 77 -11.560 -7.826 -11.612 1.00 0.00 C ATOM 1154 O LYS A 77 -12.728 -7.539 -11.807 1.00 0.00 O ATOM 1155 CB LYS A 77 -12.144 -8.796 -9.371 1.00 0.00 C ATOM 1156 CG LYS A 77 -11.557 -9.206 -8.011 1.00 0.00 C ATOM 1157 CD LYS A 77 -12.646 -9.830 -7.121 1.00 0.00 C ATOM 1158 CE LYS A 77 -12.955 -11.267 -7.568 1.00 0.00 C ATOM 1159 NZ LYS A 77 -13.774 -11.948 -6.519 1.00 0.00 N ATOM 1160 OXT LYS A 77 -10.736 -7.971 -12.499 1.00 0.00 O ATOM 0 H LYS A 77 -11.580 -6.472 -8.823 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.154 -8.547 -10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.039 -8.192 -9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.445 -9.682 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.746 -9.919 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.129 -8.335 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.318 -9.830 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.552 -9.226 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.493 -11.257 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.028 -11.815 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.984 -12.921 -6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.244 -11.969 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.664 -11.428 -6.382 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -12.945 12.919 -3.536 1.00 0.00 N ATOM 1176 CA GLY B 45 -11.510 12.514 -3.601 1.00 0.00 C ATOM 1177 C GLY B 45 -11.396 11.157 -4.289 1.00 0.00 C ATOM 1178 O GLY B 45 -12.344 10.695 -4.919 1.00 0.00 O ATOM 0 HA2 GLY B 45 -10.935 13.261 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -11.090 12.461 -2.597 1.00 0.00 H new ATOM 1184 N THR B 46 -10.233 10.518 -4.161 1.00 0.00 N ATOM 1185 CA THR B 46 -10.020 9.206 -4.775 1.00 0.00 C ATOM 1186 C THR B 46 -10.551 8.098 -3.870 1.00 0.00 C ATOM 1187 O THR B 46 -10.827 8.325 -2.690 1.00 0.00 O ATOM 1188 CB THR B 46 -8.529 8.971 -5.042 1.00 0.00 C ATOM 1189 OG1 THR B 46 -7.829 8.943 -3.808 1.00 0.00 O ATOM 1190 CG2 THR B 46 -7.965 10.090 -5.922 1.00 0.00 C ATOM 0 H THR B 46 -9.432 10.882 -3.644 1.00 0.00 H new ATOM 0 HA THR B 46 -10.561 9.187 -5.721 1.00 0.00 H new ATOM 0 HB THR B 46 -8.407 8.019 -5.559 1.00 0.00 H new ATOM 0 HG1 THR B 46 -6.876 8.791 -3.976 1.00 0.00 H new ATOM 0 HG21 THR B 46 -6.905 9.911 -6.104 1.00 0.00 H new ATOM 0 HG22 THR B 46 -8.498 10.109 -6.873 1.00 0.00 H new ATOM 0 HG23 THR B 46 -8.089 11.048 -5.417 1.00 0.00 H new ATOM 1198 N GLY B 47 -10.699 6.900 -4.434 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.205 5.755 -3.675 1.00 0.00 C ATOM 1200 C GLY B 47 -10.073 5.016 -2.963 1.00 0.00 C ATOM 1201 O GLY B 47 -8.896 5.240 -3.241 1.00 0.00 O ATOM 0 H GLY B 47 -10.477 6.697 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -11.936 6.096 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -11.723 5.071 -4.347 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.451 4.143 -2.034 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.485 3.370 -1.255 1.00 0.00 C ATOM 1207 C ALA B 48 -8.630 2.450 -2.138 1.00 0.00 C ATOM 1208 O ALA B 48 -7.403 2.440 -2.032 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.241 2.539 -0.208 1.00 0.00 C ATOM 0 H ALA B 48 -11.425 3.951 -1.800 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.804 4.068 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.529 1.958 0.379 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.798 3.204 0.452 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.933 1.864 -0.710 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.284 1.670 -2.996 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.570 0.744 -3.875 1.00 0.00 C ATOM 1217 C ALA B 49 -7.689 1.496 -4.868 1.00 0.00 C ATOM 1218 O ALA B 49 -6.541 1.117 -5.105 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.577 -0.120 -4.637 1.00 0.00 C ATOM 0 H ALA B 49 -10.298 1.659 -3.102 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.930 0.113 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.043 -0.809 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.180 -0.687 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.226 0.520 -5.235 1.00 0.00 H new ATOM 1225 N LEU B 50 -8.231 2.564 -5.437 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.488 3.371 -6.398 1.00 0.00 C ATOM 1227 C LEU B 50 -6.265 3.991 -5.735 1.00 0.00 C ATOM 1228 O LEU B 50 -5.180 4.032 -6.317 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.398 4.475 -6.951 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.620 5.387 -7.913 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -7.001 4.557 -9.046 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -8.579 6.426 -8.504 1.00 0.00 C ATOM 0 H LEU B 50 -9.179 2.892 -5.251 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.154 2.732 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.246 4.028 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.803 5.066 -6.129 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.821 5.887 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -6.453 5.214 -9.721 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -6.319 3.818 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -7.791 4.048 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.034 7.077 -9.188 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.377 5.918 -9.045 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -9.009 7.023 -7.700 1.00 0.00 H new ATOM 1244 N SER B 51 -6.454 4.472 -4.513 1.00 0.00 N ATOM 1245 CA SER B 51 -5.370 5.094 -3.767 1.00 0.00 C ATOM 1246 C SER B 51 -4.224 4.110 -3.579 1.00 0.00 C ATOM 1247 O SER B 51 -3.058 4.442 -3.802 1.00 0.00 O ATOM 1248 CB SER B 51 -5.889 5.532 -2.399 1.00 0.00 C ATOM 1249 OG SER B 51 -4.786 5.810 -1.545 1.00 0.00 O ATOM 0 H SER B 51 -7.346 4.443 -4.019 1.00 0.00 H new ATOM 0 HA SER B 51 -5.006 5.958 -4.323 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.516 6.417 -2.502 1.00 0.00 H new ATOM 0 HB3 SER B 51 -6.511 4.749 -1.965 1.00 0.00 H new ATOM 0 HG SER B 51 -5.116 6.093 -0.667 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.570 2.898 -3.174 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.576 1.861 -2.960 1.00 0.00 C ATOM 1257 C TRP B 52 -2.940 1.443 -4.288 1.00 0.00 C ATOM 1258 O TRP B 52 -1.719 1.330 -4.393 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.238 0.651 -2.283 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.389 0.894 -0.809 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.567 0.926 -0.143 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.349 1.139 0.188 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.317 1.166 1.198 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.967 1.307 1.450 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.948 1.230 0.120 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.219 1.554 2.605 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.193 1.480 1.278 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.827 1.641 2.517 1.00 0.00 C ATOM 0 H TRP B 52 -5.530 2.610 -2.987 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.789 2.251 -2.314 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.215 0.466 -2.729 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.636 -0.242 -2.451 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.543 0.787 -0.585 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.042 1.231 1.912 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.448 1.107 -0.829 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.713 1.677 3.558 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.117 1.549 1.213 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.240 1.832 3.403 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.776 1.218 -5.297 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.284 0.814 -6.612 1.00 0.00 C ATOM 1281 C GLN B 53 -2.331 1.858 -7.198 1.00 0.00 C ATOM 1282 O GLN B 53 -1.277 1.512 -7.732 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.468 0.602 -7.564 1.00 0.00 C ATOM 1284 CG GLN B 53 -5.199 -0.696 -7.197 1.00 0.00 C ATOM 1285 CD GLN B 53 -6.454 -0.854 -8.052 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -6.549 -1.866 -8.869 1.00 0.00 O flip ATOM 1287 NE2 GLN B 53 -7.368 -0.037 -7.971 1.00 0.00 N flip ATOM 0 H GLN B 53 -4.790 1.307 -5.232 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.732 -0.118 -6.494 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.153 1.447 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.115 0.553 -8.594 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.538 -1.549 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.469 -0.684 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -7.290 0.753 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.204 -0.149 -8.544 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.703 3.131 -7.102 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.865 4.204 -7.635 1.00 0.00 C ATOM 1298 C ALA B 54 -0.530 4.277 -6.894 1.00 0.00 C ATOM 1299 O ALA B 54 0.517 4.482 -7.509 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.596 5.544 -7.512 1.00 0.00 C ATOM 0 H ALA B 54 -3.570 3.444 -6.665 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.665 3.991 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.967 6.340 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.529 5.503 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.814 5.745 -6.463 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.574 4.112 -5.576 1.00 0.00 N ATOM 1307 CA ALA B 55 0.641 4.162 -4.767 1.00 0.00 C ATOM 1308 C ALA B 55 1.539 2.960 -5.059 1.00 0.00 C ATOM 1309 O ALA B 55 2.748 3.104 -5.246 1.00 0.00 O ATOM 1310 CB ALA B 55 0.270 4.180 -3.281 1.00 0.00 C ATOM 0 H ALA B 55 -1.430 3.944 -5.048 1.00 0.00 H new ATOM 0 HA ALA B 55 1.188 5.071 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.178 4.217 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.342 5.057 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.291 3.278 -3.035 1.00 0.00 H new ATOM 1316 N ILE B 56 0.934 1.778 -5.090 1.00 0.00 N ATOM 1317 CA ILE B 56 1.676 0.548 -5.354 1.00 0.00 C ATOM 1318 C ILE B 56 2.259 0.570 -6.766 1.00 0.00 C ATOM 1319 O ILE B 56 3.418 0.207 -6.977 1.00 0.00 O ATOM 1320 CB ILE B 56 0.740 -0.657 -5.195 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.339 -0.799 -3.724 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.452 -1.934 -5.650 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.819 -1.792 -3.600 1.00 0.00 C ATOM 0 H ILE B 56 -0.065 1.644 -4.936 1.00 0.00 H new ATOM 0 HA ILE B 56 2.497 0.469 -4.641 1.00 0.00 H new ATOM 0 HB ILE B 56 -0.149 -0.503 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.190 -1.143 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.045 0.170 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE B 56 0.781 -2.785 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE B 56 1.738 -1.837 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.344 -2.089 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.103 -1.891 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.672 -1.430 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.508 -2.763 -3.985 1.00 0.00 H new ATOM 1335 N ASP B 57 1.444 0.996 -7.724 1.00 0.00 N ATOM 1336 CA ASP B 57 1.877 1.062 -9.115 1.00 0.00 C ATOM 1337 C ASP B 57 3.012 2.070 -9.282 1.00 0.00 C ATOM 1338 O ASP B 57 4.013 1.789 -9.945 1.00 0.00 O ATOM 1339 CB ASP B 57 0.693 1.458 -10.000 1.00 0.00 C ATOM 1340 CG ASP B 57 1.096 1.420 -11.468 1.00 0.00 C ATOM 1341 OD1 ASP B 57 2.272 1.251 -11.737 1.00 0.00 O ATOM 1342 OD2 ASP B 57 0.218 1.556 -12.304 1.00 0.00 O ATOM 0 H ASP B 57 0.483 1.300 -7.564 1.00 0.00 H new ATOM 0 HA ASP B 57 2.245 0.080 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -0.142 0.779 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP B 57 0.351 2.458 -9.735 1.00 0.00 H new ATOM 1347 N ALA B 58 2.851 3.241 -8.678 1.00 0.00 N ATOM 1348 CA ALA B 58 3.872 4.279 -8.763 1.00 0.00 C ATOM 1349 C ALA B 58 5.130 3.856 -8.005 1.00 0.00 C ATOM 1350 O ALA B 58 6.250 4.089 -8.463 1.00 0.00 O ATOM 1351 CB ALA B 58 3.326 5.588 -8.189 1.00 0.00 C ATOM 0 H ALA B 58 2.030 3.495 -8.128 1.00 0.00 H new ATOM 0 HA ALA B 58 4.135 4.429 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.092 6.361 -8.254 1.00 0.00 H new ATOM 0 HB2 ALA B 58 2.449 5.897 -8.758 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.048 5.440 -7.146 1.00 0.00 H new ATOM 1357 N ALA B 59 4.938 3.222 -6.850 1.00 0.00 N ATOM 1358 CA ALA B 59 6.064 2.760 -6.044 1.00 0.00 C ATOM 1359 C ALA B 59 6.828 1.668 -6.790 1.00 0.00 C ATOM 1360 O ALA B 59 8.060 1.642 -6.790 1.00 0.00 O ATOM 1361 CB ALA B 59 5.555 2.222 -4.703 1.00 0.00 C ATOM 0 H ALA B 59 4.020 3.018 -6.454 1.00 0.00 H new ATOM 0 HA ALA B 59 6.738 3.597 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.399 1.878 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.030 3.014 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA B 59 4.873 1.390 -4.880 1.00 0.00 H new ATOM 1367 N ARG B 60 6.082 0.779 -7.432 1.00 0.00 N ATOM 1368 CA ARG B 60 6.679 -0.312 -8.195 1.00 0.00 C ATOM 1369 C ARG B 60 7.445 0.225 -9.398 1.00 0.00 C ATOM 1370 O ARG B 60 8.525 -0.268 -9.728 1.00 0.00 O ATOM 1371 CB ARG B 60 5.573 -1.261 -8.662 1.00 0.00 C ATOM 1372 CG ARG B 60 5.020 -2.049 -7.462 1.00 0.00 C ATOM 1373 CD ARG B 60 5.852 -3.315 -7.242 1.00 0.00 C ATOM 1374 NE ARG B 60 5.475 -3.948 -5.988 1.00 0.00 N ATOM 1375 CZ ARG B 60 4.342 -4.626 -5.863 1.00 0.00 C ATOM 1376 NH1 ARG B 60 3.490 -4.686 -6.851 1.00 0.00 N ATOM 1377 NH2 ARG B 60 4.076 -5.220 -4.738 1.00 0.00 N ATOM 0 H ARG B 60 5.062 0.791 -7.440 1.00 0.00 H new ATOM 0 HA ARG B 60 7.382 -0.848 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG B 60 4.772 -0.695 -9.137 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.964 -1.949 -9.411 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.043 -1.428 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG B 60 3.978 -2.314 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG B 60 5.699 -4.008 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG B 60 6.913 -3.065 -7.228 1.00 0.00 H new ATOM 0 HE ARG B 60 6.098 -3.868 -5.184 1.00 0.00 H new ATOM 0 HH11 ARG B 60 3.693 -4.209 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG B 60 2.622 -5.210 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG B 60 4.736 -5.162 -3.962 1.00 0.00 H new ATOM 0 HH22 ARG B 60 3.208 -5.744 -4.631 1.00 0.00 H new ATOM 1391 N GLN B 61 6.883 1.239 -10.046 1.00 0.00 N ATOM 1392 CA GLN B 61 7.529 1.836 -11.206 1.00 0.00 C ATOM 1393 C GLN B 61 8.836 2.498 -10.786 1.00 0.00 C ATOM 1394 O GLN B 61 9.847 2.400 -11.483 1.00 0.00 O ATOM 1395 CB GLN B 61 6.600 2.871 -11.849 1.00 0.00 C ATOM 1396 CG GLN B 61 7.246 3.421 -13.126 1.00 0.00 C ATOM 1397 CD GLN B 61 6.316 4.428 -13.797 1.00 0.00 C ATOM 1398 OE1 GLN B 61 5.729 5.274 -13.126 1.00 0.00 O ATOM 1399 NE2 GLN B 61 6.148 4.387 -15.090 1.00 0.00 N ATOM 0 H GLN B 61 5.990 1.661 -9.790 1.00 0.00 H new ATOM 0 HA GLN B 61 7.744 1.055 -11.935 1.00 0.00 H new ATOM 0 HB2 GLN B 61 5.638 2.415 -12.084 1.00 0.00 H new ATOM 0 HB3 GLN B 61 6.405 3.684 -11.149 1.00 0.00 H new ATOM 0 HG2 GLN B 61 8.196 3.897 -12.885 1.00 0.00 H new ATOM 0 HG3 GLN B 61 7.464 2.603 -13.813 1.00 0.00 H new ATOM 0 HE21 GLN B 61 6.636 3.684 -15.646 1.00 0.00 H new ATOM 0 HE22 GLN B 61 5.529 5.058 -15.545 1.00 0.00 H new ATOM 1408 N ALA B 62 8.807 3.165 -9.636 1.00 0.00 N ATOM 1409 CA ALA B 62 9.995 3.835 -9.120 1.00 0.00 C ATOM 1410 C ALA B 62 11.095 2.818 -8.826 1.00 0.00 C ATOM 1411 O ALA B 62 12.246 2.999 -9.225 1.00 0.00 O ATOM 1412 CB ALA B 62 9.643 4.599 -7.842 1.00 0.00 C ATOM 0 H ALA B 62 7.979 3.256 -9.047 1.00 0.00 H new ATOM 0 HA ALA B 62 10.357 4.535 -9.873 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.533 5.098 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA B 62 8.876 5.342 -8.062 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.268 3.902 -7.093 1.00 0.00 H new ATOM 1418 N LYS B 63 10.727 1.742 -8.136 1.00 0.00 N ATOM 1419 CA LYS B 63 11.682 0.692 -7.804 1.00 0.00 C ATOM 1420 C LYS B 63 12.186 0.007 -9.069 1.00 0.00 C ATOM 1421 O LYS B 63 13.370 -0.309 -9.187 1.00 0.00 O ATOM 1422 CB LYS B 63 11.026 -0.341 -6.883 1.00 0.00 C ATOM 1423 CG LYS B 63 12.060 -1.389 -6.459 1.00 0.00 C ATOM 1424 CD LYS B 63 11.414 -2.383 -5.491 1.00 0.00 C ATOM 1425 CE LYS B 63 12.446 -3.420 -5.049 1.00 0.00 C ATOM 1426 NZ LYS B 63 11.794 -4.407 -4.144 1.00 0.00 N ATOM 0 H LYS B 63 9.779 1.576 -7.798 1.00 0.00 H new ATOM 0 HA LYS B 63 12.529 1.146 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.613 0.153 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.195 -0.824 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS B 63 12.441 -1.914 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.912 -0.903 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.020 -1.855 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS B 63 10.571 -2.878 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS B 63 12.864 -3.927 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS B 63 13.274 -2.931 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 12.493 -5.115 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 11.415 -3.915 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 11.018 -4.881 -4.649 1.00 0.00 H new ATOM 1440 N LEU B 64 11.276 -0.233 -10.005 1.00 0.00 N ATOM 1441 CA LEU B 64 11.635 -0.902 -11.253 1.00 0.00 C ATOM 1442 C LEU B 64 12.661 -0.082 -12.036 1.00 0.00 C ATOM 1443 O LEU B 64 13.648 -0.625 -12.534 1.00 0.00 O ATOM 1444 CB LEU B 64 10.375 -1.102 -12.109 1.00 0.00 C ATOM 1445 CG LEU B 64 10.710 -1.913 -13.373 1.00 0.00 C ATOM 1446 CD1 LEU B 64 11.094 -3.355 -12.994 1.00 0.00 C ATOM 1447 CD2 LEU B 64 9.488 -1.933 -14.301 1.00 0.00 C ATOM 0 H LEU B 64 10.292 0.022 -9.927 1.00 0.00 H new ATOM 0 HA LEU B 64 12.077 -1.869 -11.013 1.00 0.00 H new ATOM 0 HB2 LEU B 64 9.611 -1.620 -11.529 1.00 0.00 H new ATOM 0 HB3 LEU B 64 9.960 -0.134 -12.389 1.00 0.00 H new ATOM 0 HG LEU B 64 11.553 -1.447 -13.883 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.329 -3.918 -13.897 1.00 0.00 H new ATOM 0 HD12 LEU B 64 11.965 -3.339 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU B 64 10.260 -3.830 -12.477 1.00 0.00 H new ATOM 0 HD21 LEU B 64 9.722 -2.507 -15.198 1.00 0.00 H new ATOM 0 HD22 LEU B 64 8.646 -2.394 -13.784 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.227 -0.912 -14.581 1.00 0.00 H new ATOM 1459 N MET B 65 12.420 1.219 -12.146 1.00 0.00 N ATOM 1460 CA MET B 65 13.326 2.099 -12.880 1.00 0.00 C ATOM 1461 C MET B 65 14.664 2.234 -12.152 1.00 0.00 C ATOM 1462 O MET B 65 15.719 2.315 -12.785 1.00 0.00 O ATOM 1463 CB MET B 65 12.687 3.477 -13.063 1.00 0.00 C ATOM 1464 CG MET B 65 13.611 4.364 -13.898 1.00 0.00 C ATOM 1465 SD MET B 65 12.789 5.940 -14.241 1.00 0.00 S ATOM 1466 CE MET B 65 14.076 6.641 -15.301 1.00 0.00 C ATOM 0 H MET B 65 11.610 1.687 -11.740 1.00 0.00 H new ATOM 0 HA MET B 65 13.512 1.658 -13.859 1.00 0.00 H new ATOM 0 HB2 MET B 65 11.719 3.378 -13.555 1.00 0.00 H new ATOM 0 HB3 MET B 65 12.505 3.937 -12.092 1.00 0.00 H new ATOM 0 HG2 MET B 65 14.545 4.538 -13.364 1.00 0.00 H new ATOM 0 HG3 MET B 65 13.866 3.864 -14.832 1.00 0.00 H new ATOM 0 HE1 MET B 65 13.772 7.633 -15.634 1.00 0.00 H new ATOM 0 HE2 MET B 65 15.008 6.716 -14.741 1.00 0.00 H new ATOM 0 HE3 MET B 65 14.224 5.997 -16.168 1.00 0.00 H new ATOM 1476 N GLY B 66 14.615 2.257 -10.821 1.00 0.00 N ATOM 1477 CA GLY B 66 15.831 2.377 -10.013 1.00 0.00 C ATOM 1478 C GLY B 66 16.178 3.837 -9.725 1.00 0.00 C ATOM 1479 O GLY B 66 17.203 4.126 -9.109 1.00 0.00 O ATOM 0 H GLY B 66 13.752 2.195 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY B 66 15.697 1.843 -9.072 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.662 1.902 -10.534 1.00 0.00 H new ATOM 1483 N SER B 67 15.321 4.755 -10.165 1.00 0.00 N ATOM 1484 CA SER B 67 15.556 6.181 -9.937 1.00 0.00 C ATOM 1485 C SER B 67 17.022 6.533 -10.197 1.00 0.00 C ATOM 1486 O SER B 67 17.826 6.619 -9.270 1.00 0.00 O ATOM 1487 CB SER B 67 15.186 6.552 -8.501 1.00 0.00 C ATOM 1488 OG SER B 67 15.726 7.829 -8.189 1.00 0.00 O ATOM 0 H SER B 67 14.465 4.542 -10.677 1.00 0.00 H new ATOM 0 HA SER B 67 14.930 6.746 -10.628 1.00 0.00 H new ATOM 0 HB2 SER B 67 14.102 6.565 -8.385 1.00 0.00 H new ATOM 0 HB3 SER B 67 15.572 5.803 -7.809 1.00 0.00 H new ATOM 0 HG SER B 67 16.698 7.758 -8.090 1.00 0.00 H new ATOM 1494 N ALA B 68 17.354 6.736 -11.467 1.00 0.00 N ATOM 1495 CA ALA B 68 18.718 7.078 -11.856 1.00 0.00 C ATOM 1496 C ALA B 68 19.259 8.211 -10.989 1.00 0.00 C ATOM 1497 O ALA B 68 20.303 8.024 -10.384 1.00 0.00 O ATOM 1498 CB ALA B 68 18.745 7.497 -13.325 1.00 0.00 C ATOM 1499 OXT ALA B 68 18.625 9.253 -10.941 1.00 0.00 O ATOM 0 H ALA B 68 16.698 6.670 -12.245 1.00 0.00 H new ATOM 0 HA ALA B 68 19.349 6.201 -11.714 1.00 0.00 H new ATOM 0 HB1 ALA B 68 19.765 7.752 -13.612 1.00 0.00 H new ATOM 0 HB2 ALA B 68 18.388 6.674 -13.945 1.00 0.00 H new ATOM 0 HB3 ALA B 68 18.101 8.364 -13.468 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.547 1.831 11.023 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.798 -3.031 11.736 1.00 0.00 CA