USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 771 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 78 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.211 X(o=-0.21,f=0.031) USER MOD Set 3.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 80 MET CE :methyl 158:sc= -0.621 (180deg=-1.73!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.47) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 130:sc= -0.251 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -4.83! (180deg=-4.94!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -11:sc= 0.796 USER MOD Single : A 29 GLN : amide:sc= 0.096 K(o=0.096,f=-0.82) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= 0.129 (180deg=-0.273) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.751 K(o=0.75,f=-0.16) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 10:sc= -0.0176 USER MOD Single : A 65 GLN : amide:sc= -0.0692 K(o=-0.069,f=-1.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -28:sc= 0.875 USER MOD Single : A 79 CYS SG : rot 117:sc= 0.128 USER MOD Single : A 81 CYS SG : rot -51:sc= -3.9! USER MOD Single : A 83 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.32) USER MOD Single : A 86 THR OG1 : rot 110:sc= 0.369 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.668 34.763 6.840 1.00 0.00 N ATOM 2 CA GLY A 1 22.815 36.205 6.768 1.00 0.00 C ATOM 3 C GLY A 1 21.735 36.856 5.926 1.00 0.00 C ATOM 4 O GLY A 1 20.577 36.928 6.337 1.00 0.00 O ATOM 0 H1 GLY A 1 23.429 34.365 7.426 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.747 34.529 7.263 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.722 34.360 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.786 36.621 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.792 36.447 6.351 1.00 0.00 H new ATOM 8 N SER A 2 22.115 37.334 4.746 1.00 0.00 N ATOM 9 CA SER A 2 21.172 37.988 3.846 1.00 0.00 C ATOM 10 C SER A 2 20.107 37.005 3.368 1.00 0.00 C ATOM 11 O SER A 2 20.295 36.304 2.375 1.00 0.00 O ATOM 12 CB SER A 2 21.909 38.583 2.645 1.00 0.00 C ATOM 13 OG SER A 2 21.111 39.552 1.986 1.00 0.00 O ATOM 0 H SER A 2 23.070 37.281 4.390 1.00 0.00 H new ATOM 0 HA SER A 2 20.681 38.791 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.842 39.040 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.173 37.789 1.947 1.00 0.00 H new ATOM 0 HG SER A 2 21.605 39.918 1.223 1.00 0.00 H new ATOM 19 N SER A 3 18.987 36.962 4.084 1.00 0.00 N ATOM 20 CA SER A 3 17.892 36.063 3.736 1.00 0.00 C ATOM 21 C SER A 3 17.244 36.481 2.420 1.00 0.00 C ATOM 22 O SER A 3 17.118 37.669 2.126 1.00 0.00 O ATOM 23 CB SER A 3 16.845 36.046 4.851 1.00 0.00 C ATOM 24 OG SER A 3 17.416 35.635 6.081 1.00 0.00 O ATOM 0 H SER A 3 18.814 37.538 4.908 1.00 0.00 H new ATOM 0 HA SER A 3 18.301 35.060 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.411 37.040 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.032 35.372 4.581 1.00 0.00 H new ATOM 0 HG SER A 3 16.727 35.634 6.778 1.00 0.00 H new ATOM 30 N GLY A 4 16.834 35.493 1.629 1.00 0.00 N ATOM 31 CA GLY A 4 16.204 35.777 0.353 1.00 0.00 C ATOM 32 C GLY A 4 16.359 34.639 -0.636 1.00 0.00 C ATOM 33 O GLY A 4 15.383 34.195 -1.240 1.00 0.00 O ATOM 0 H GLY A 4 16.927 34.502 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.144 35.975 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.638 36.683 -0.069 1.00 0.00 H new ATOM 37 N SER A 5 17.590 34.165 -0.803 1.00 0.00 N ATOM 38 CA SER A 5 17.870 33.075 -1.730 1.00 0.00 C ATOM 39 C SER A 5 17.101 31.817 -1.338 1.00 0.00 C ATOM 40 O SER A 5 17.454 31.135 -0.376 1.00 0.00 O ATOM 41 CB SER A 5 19.371 32.780 -1.764 1.00 0.00 C ATOM 42 OG SER A 5 19.668 31.755 -2.696 1.00 0.00 O ATOM 0 H SER A 5 18.409 34.519 -0.308 1.00 0.00 H new ATOM 0 HA SER A 5 17.545 33.383 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.917 33.686 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.709 32.482 -0.771 1.00 0.00 H new ATOM 0 HG SER A 5 20.633 31.586 -2.700 1.00 0.00 H new ATOM 48 N SER A 6 16.048 31.516 -2.091 1.00 0.00 N ATOM 49 CA SER A 6 15.226 30.343 -1.821 1.00 0.00 C ATOM 50 C SER A 6 14.226 30.109 -2.950 1.00 0.00 C ATOM 51 O SER A 6 13.314 30.907 -3.162 1.00 0.00 O ATOM 52 CB SER A 6 14.484 30.508 -0.494 1.00 0.00 C ATOM 53 OG SER A 6 13.794 29.321 -0.144 1.00 0.00 O ATOM 0 H SER A 6 15.744 32.068 -2.893 1.00 0.00 H new ATOM 0 HA SER A 6 15.884 29.476 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.193 30.766 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.777 31.334 -0.569 1.00 0.00 H new ATOM 0 HG SER A 6 13.329 29.452 0.709 1.00 0.00 H new ATOM 59 N GLY A 7 14.406 29.007 -3.672 1.00 0.00 N ATOM 60 CA GLY A 7 13.513 28.687 -4.771 1.00 0.00 C ATOM 61 C GLY A 7 12.633 27.489 -4.472 1.00 0.00 C ATOM 62 O GLY A 7 11.530 27.619 -3.941 1.00 0.00 O ATOM 0 H GLY A 7 15.153 28.331 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.884 29.551 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.101 28.488 -5.667 1.00 0.00 H new ATOM 66 N PRO A 8 13.122 26.289 -4.820 1.00 0.00 N ATOM 67 CA PRO A 8 12.388 25.040 -4.596 1.00 0.00 C ATOM 68 C PRO A 8 12.290 24.682 -3.117 1.00 0.00 C ATOM 69 O PRO A 8 13.069 25.169 -2.298 1.00 0.00 O ATOM 70 CB PRO A 8 13.223 23.999 -5.345 1.00 0.00 C ATOM 71 CG PRO A 8 14.600 24.568 -5.375 1.00 0.00 C ATOM 72 CD PRO A 8 14.430 26.060 -5.457 1.00 0.00 C ATOM 0 HA PRO A 8 11.356 25.106 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.204 23.035 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.840 23.835 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.158 24.287 -4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.159 24.191 -6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.229 26.585 -4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.441 26.410 -6.489 1.00 0.00 H new ATOM 80 N ALA A 9 11.330 23.827 -2.782 1.00 0.00 N ATOM 81 CA ALA A 9 11.133 23.401 -1.402 1.00 0.00 C ATOM 82 C ALA A 9 12.041 22.227 -1.055 1.00 0.00 C ATOM 83 O ALA A 9 12.457 21.471 -1.933 1.00 0.00 O ATOM 84 CB ALA A 9 9.676 23.032 -1.167 1.00 0.00 C ATOM 0 H ALA A 9 10.676 23.415 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 9 11.395 24.234 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.543 22.716 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.045 23.898 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.395 22.217 -1.834 1.00 0.00 H new ATOM 90 N ARG A 10 12.346 22.080 0.231 1.00 0.00 N ATOM 91 CA ARG A 10 13.207 20.999 0.693 1.00 0.00 C ATOM 92 C ARG A 10 12.514 20.178 1.777 1.00 0.00 C ATOM 93 O ARG A 10 11.809 20.722 2.627 1.00 0.00 O ATOM 94 CB ARG A 10 14.525 21.561 1.229 1.00 0.00 C ATOM 95 CG ARG A 10 14.352 22.484 2.424 1.00 0.00 C ATOM 96 CD ARG A 10 15.565 22.443 3.340 1.00 0.00 C ATOM 97 NE ARG A 10 15.442 23.377 4.455 1.00 0.00 N ATOM 98 CZ ARG A 10 16.468 23.770 5.202 1.00 0.00 C ATOM 99 NH1 ARG A 10 17.687 23.311 4.954 1.00 0.00 N ATOM 100 NH2 ARG A 10 16.275 24.624 6.200 1.00 0.00 N ATOM 0 H ARG A 10 12.009 22.696 0.971 1.00 0.00 H new ATOM 0 HA ARG A 10 13.416 20.347 -0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.175 20.733 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.030 22.105 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.191 23.505 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.462 22.194 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.693 21.432 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.461 22.680 2.766 1.00 0.00 H new ATOM 0 HE ARG A 10 14.517 23.748 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.839 22.655 4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.473 23.614 5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.339 24.979 6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.063 24.925 6.773 1.00 0.00 H new ATOM 114 N PHE A 11 12.720 18.865 1.739 1.00 0.00 N ATOM 115 CA PHE A 11 12.114 17.969 2.717 1.00 0.00 C ATOM 116 C PHE A 11 12.538 18.342 4.134 1.00 0.00 C ATOM 117 O PHE A 11 13.698 18.675 4.380 1.00 0.00 O ATOM 118 CB PHE A 11 12.503 16.519 2.421 1.00 0.00 C ATOM 119 CG PHE A 11 11.734 15.912 1.282 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.448 15.435 1.475 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.298 15.818 0.020 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.737 14.876 0.429 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.592 15.261 -1.029 1.00 0.00 C ATOM 124 CZ PHE A 11 10.310 14.788 -0.824 1.00 0.00 C ATOM 0 H PHE A 11 13.301 18.399 1.042 1.00 0.00 H new ATOM 0 HA PHE A 11 11.031 18.070 2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.568 16.476 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.344 15.919 3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.996 15.500 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.300 16.184 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.735 14.509 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.042 15.195 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.757 14.350 -1.642 1.00 0.00 H new ATOM 134 N THR A 12 11.590 18.285 5.064 1.00 0.00 N ATOM 135 CA THR A 12 11.864 18.618 6.456 1.00 0.00 C ATOM 136 C THR A 12 11.724 17.393 7.353 1.00 0.00 C ATOM 137 O THR A 12 12.328 17.325 8.423 1.00 0.00 O ATOM 138 CB THR A 12 10.919 19.724 6.965 1.00 0.00 C ATOM 139 OG1 THR A 12 9.561 19.274 6.903 1.00 0.00 O ATOM 140 CG2 THR A 12 11.077 20.992 6.141 1.00 0.00 C ATOM 0 H THR A 12 10.625 18.011 4.878 1.00 0.00 H new ATOM 0 HA THR A 12 12.891 18.980 6.498 1.00 0.00 H new ATOM 0 HB THR A 12 11.180 19.948 7.999 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.967 19.981 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.400 21.758 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.105 21.348 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.840 20.780 5.098 1.00 0.00 H new ATOM 148 N GLN A 13 10.924 16.429 6.909 1.00 0.00 N ATOM 149 CA GLN A 13 10.706 15.206 7.672 1.00 0.00 C ATOM 150 C GLN A 13 10.886 13.975 6.791 1.00 0.00 C ATOM 151 O GLN A 13 10.089 13.724 5.887 1.00 0.00 O ATOM 152 CB GLN A 13 9.306 15.207 8.288 1.00 0.00 C ATOM 153 CG GLN A 13 9.251 15.830 9.673 1.00 0.00 C ATOM 154 CD GLN A 13 10.073 15.063 10.691 1.00 0.00 C ATOM 155 OE1 GLN A 13 10.079 13.832 10.701 1.00 0.00 O ATOM 156 NE2 GLN A 13 10.774 15.789 11.554 1.00 0.00 N ATOM 0 H GLN A 13 10.416 16.471 6.025 1.00 0.00 H new ATOM 0 HA GLN A 13 11.447 15.169 8.471 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.628 15.748 7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.943 14.181 8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.612 16.857 9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.214 15.873 10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.740 16.807 11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.347 15.328 12.261 1.00 0.00 H new ATOM 165 N ASP A 14 11.939 13.210 7.060 1.00 0.00 N ATOM 166 CA ASP A 14 12.224 12.004 6.291 1.00 0.00 C ATOM 167 C ASP A 14 10.938 11.250 5.966 1.00 0.00 C ATOM 168 O ASP A 14 10.009 11.208 6.774 1.00 0.00 O ATOM 169 CB ASP A 14 13.180 11.095 7.065 1.00 0.00 C ATOM 170 CG ASP A 14 12.760 10.907 8.509 1.00 0.00 C ATOM 171 OD1 ASP A 14 11.721 10.256 8.746 1.00 0.00 O ATOM 172 OD2 ASP A 14 13.471 11.411 9.404 1.00 0.00 O ATOM 0 H ASP A 14 12.609 13.404 7.804 1.00 0.00 H new ATOM 0 HA ASP A 14 12.696 12.303 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.229 10.123 6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.184 11.518 7.034 1.00 0.00 H new ATOM 177 N LEU A 15 10.890 10.657 4.778 1.00 0.00 N ATOM 178 CA LEU A 15 9.717 9.906 4.345 1.00 0.00 C ATOM 179 C LEU A 15 9.341 8.843 5.373 1.00 0.00 C ATOM 180 O LEU A 15 10.210 8.220 5.984 1.00 0.00 O ATOM 181 CB LEU A 15 9.980 9.250 2.989 1.00 0.00 C ATOM 182 CG LEU A 15 8.761 9.070 2.083 1.00 0.00 C ATOM 183 CD1 LEU A 15 9.185 8.572 0.710 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.763 8.111 2.715 1.00 0.00 C ATOM 0 H LEU A 15 11.650 10.682 4.098 1.00 0.00 H new ATOM 0 HA LEU A 15 8.884 10.603 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.719 9.848 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.427 8.271 3.162 1.00 0.00 H new ATOM 0 HG LEU A 15 8.277 10.039 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.304 8.450 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.861 9.295 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.694 7.614 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.902 7.995 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.237 7.141 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.434 8.509 3.675 1.00 0.00 H new ATOM 196 N LYS A 16 8.041 8.639 5.557 1.00 0.00 N ATOM 197 CA LYS A 16 7.549 7.649 6.507 1.00 0.00 C ATOM 198 C LYS A 16 6.940 6.453 5.781 1.00 0.00 C ATOM 199 O LYS A 16 6.529 6.558 4.625 1.00 0.00 O ATOM 200 CB LYS A 16 6.508 8.277 7.437 1.00 0.00 C ATOM 201 CG LYS A 16 5.932 7.305 8.451 1.00 0.00 C ATOM 202 CD LYS A 16 4.694 6.607 7.913 1.00 0.00 C ATOM 203 CE LYS A 16 3.497 7.545 7.876 1.00 0.00 C ATOM 204 NZ LYS A 16 2.805 7.614 9.192 1.00 0.00 N ATOM 0 H LYS A 16 7.309 9.147 5.060 1.00 0.00 H new ATOM 0 HA LYS A 16 8.395 7.300 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.964 9.113 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.696 8.685 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.685 6.562 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.680 7.840 9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.894 6.231 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.462 5.744 8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.827 8.543 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.795 7.207 7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.995 8.263 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.468 6.667 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.468 7.960 9.915 1.00 0.00 H new ATOM 218 N THR A 17 6.885 5.315 6.467 1.00 0.00 N ATOM 219 CA THR A 17 6.327 4.100 5.888 1.00 0.00 C ATOM 220 C THR A 17 6.099 3.036 6.956 1.00 0.00 C ATOM 221 O THR A 17 6.642 3.121 8.057 1.00 0.00 O ATOM 222 CB THR A 17 7.247 3.525 4.794 1.00 0.00 C ATOM 223 OG1 THR A 17 6.701 2.302 4.288 1.00 0.00 O ATOM 224 CG2 THR A 17 8.645 3.274 5.340 1.00 0.00 C ATOM 0 H THR A 17 7.220 5.210 7.425 1.00 0.00 H new ATOM 0 HA THR A 17 5.371 4.373 5.442 1.00 0.00 H new ATOM 0 HB THR A 17 7.314 4.254 3.987 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.677 2.335 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.277 2.868 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.069 4.212 5.698 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.592 2.562 6.164 1.00 0.00 H new ATOM 232 N LYS A 18 5.294 2.034 6.623 1.00 0.00 N ATOM 233 CA LYS A 18 4.995 0.951 7.552 1.00 0.00 C ATOM 234 C LYS A 18 5.042 -0.401 6.846 1.00 0.00 C ATOM 235 O LYS A 18 5.393 -0.484 5.670 1.00 0.00 O ATOM 236 CB LYS A 18 3.617 1.160 8.185 1.00 0.00 C ATOM 237 CG LYS A 18 2.482 0.541 7.389 1.00 0.00 C ATOM 238 CD LYS A 18 2.370 1.158 6.005 1.00 0.00 C ATOM 239 CE LYS A 18 0.927 1.197 5.527 1.00 0.00 C ATOM 240 NZ LYS A 18 0.376 -0.170 5.311 1.00 0.00 N ATOM 0 H LYS A 18 4.836 1.949 5.716 1.00 0.00 H new ATOM 0 HA LYS A 18 5.753 0.959 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.619 0.735 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.434 2.229 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.644 -0.533 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.543 0.677 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.776 2.169 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.972 0.585 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.316 1.723 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.868 1.763 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.518 -0.105 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.058 -0.737 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.203 -0.624 6.231 1.00 0.00 H new ATOM 254 N GLU A 19 4.684 -1.456 7.572 1.00 0.00 N ATOM 255 CA GLU A 19 4.686 -2.802 7.014 1.00 0.00 C ATOM 256 C GLU A 19 3.282 -3.402 7.036 1.00 0.00 C ATOM 257 O GLU A 19 2.750 -3.722 8.097 1.00 0.00 O ATOM 258 CB GLU A 19 5.648 -3.701 7.793 1.00 0.00 C ATOM 259 CG GLU A 19 5.092 -4.177 9.125 1.00 0.00 C ATOM 260 CD GLU A 19 6.182 -4.549 10.112 1.00 0.00 C ATOM 261 OE1 GLU A 19 6.635 -3.656 10.859 1.00 0.00 O ATOM 262 OE2 GLU A 19 6.581 -5.732 10.138 1.00 0.00 O ATOM 0 H GLU A 19 4.389 -1.404 8.547 1.00 0.00 H new ATOM 0 HA GLU A 19 5.020 -2.737 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.897 -4.569 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.577 -3.158 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.469 -3.393 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.448 -5.040 8.958 1.00 0.00 H new ATOM 269 N ALA A 20 2.690 -3.549 5.855 1.00 0.00 N ATOM 270 CA ALA A 20 1.350 -4.111 5.738 1.00 0.00 C ATOM 271 C ALA A 20 1.384 -5.474 5.055 1.00 0.00 C ATOM 272 O ALA A 20 2.408 -5.876 4.502 1.00 0.00 O ATOM 273 CB ALA A 20 0.443 -3.158 4.974 1.00 0.00 C ATOM 0 H ALA A 20 3.117 -3.287 4.967 1.00 0.00 H new ATOM 0 HA ALA A 20 0.951 -4.247 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.554 -3.590 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.385 -2.207 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.848 -2.992 3.976 1.00 0.00 H new ATOM 279 N SER A 21 0.259 -6.180 5.097 1.00 0.00 N ATOM 280 CA SER A 21 0.162 -7.501 4.486 1.00 0.00 C ATOM 281 C SER A 21 -0.303 -7.395 3.037 1.00 0.00 C ATOM 282 O SER A 21 -0.719 -6.330 2.584 1.00 0.00 O ATOM 283 CB SER A 21 -0.803 -8.384 5.280 1.00 0.00 C ATOM 284 OG SER A 21 -2.124 -7.875 5.222 1.00 0.00 O ATOM 0 H SER A 21 -0.598 -5.860 5.548 1.00 0.00 H new ATOM 0 HA SER A 21 1.153 -7.955 4.500 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.783 -9.399 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.477 -8.442 6.319 1.00 0.00 H new ATOM 0 HG SER A 21 -2.722 -8.458 5.735 1.00 0.00 H new ATOM 290 N GLU A 22 -0.228 -8.509 2.315 1.00 0.00 N ATOM 291 CA GLU A 22 -0.639 -8.542 0.917 1.00 0.00 C ATOM 292 C GLU A 22 -2.106 -8.146 0.772 1.00 0.00 C ATOM 293 O GLU A 22 -2.938 -8.486 1.612 1.00 0.00 O ATOM 294 CB GLU A 22 -0.416 -9.937 0.329 1.00 0.00 C ATOM 295 CG GLU A 22 0.962 -10.126 -0.283 1.00 0.00 C ATOM 296 CD GLU A 22 1.177 -11.530 -0.815 1.00 0.00 C ATOM 297 OE1 GLU A 22 1.031 -12.491 -0.031 1.00 0.00 O ATOM 298 OE2 GLU A 22 1.490 -11.667 -2.016 1.00 0.00 O ATOM 0 H GLU A 22 0.114 -9.400 2.675 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.030 -7.823 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.561 -10.680 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.172 -10.126 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.097 -9.410 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.722 -9.905 0.467 1.00 0.00 H new ATOM 305 N GLY A 23 -2.415 -7.425 -0.301 1.00 0.00 N ATOM 306 CA GLY A 23 -3.781 -6.993 -0.537 1.00 0.00 C ATOM 307 C GLY A 23 -4.142 -5.753 0.256 1.00 0.00 C ATOM 308 O GLY A 23 -5.081 -5.037 -0.092 1.00 0.00 O ATOM 0 H GLY A 23 -1.744 -7.132 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.917 -6.793 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.465 -7.800 -0.274 1.00 0.00 H new ATOM 312 N ALA A 24 -3.396 -5.499 1.327 1.00 0.00 N ATOM 313 CA ALA A 24 -3.643 -4.336 2.171 1.00 0.00 C ATOM 314 C ALA A 24 -3.403 -3.040 1.404 1.00 0.00 C ATOM 315 O ALA A 24 -3.168 -3.055 0.195 1.00 0.00 O ATOM 316 CB ALA A 24 -2.763 -4.389 3.411 1.00 0.00 C ATOM 0 H ALA A 24 -2.616 -6.083 1.630 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.688 -4.356 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.957 -3.515 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.986 -5.294 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.715 -4.397 3.113 1.00 0.00 H new ATOM 322 N THR A 25 -3.464 -1.918 2.114 1.00 0.00 N ATOM 323 CA THR A 25 -3.255 -0.613 1.500 1.00 0.00 C ATOM 324 C THR A 25 -2.160 0.165 2.221 1.00 0.00 C ATOM 325 O THR A 25 -2.326 0.569 3.371 1.00 0.00 O ATOM 326 CB THR A 25 -4.549 0.223 1.504 1.00 0.00 C ATOM 327 OG1 THR A 25 -5.608 -0.512 0.881 1.00 0.00 O ATOM 328 CG2 THR A 25 -4.343 1.542 0.775 1.00 0.00 C ATOM 0 H THR A 25 -3.657 -1.887 3.115 1.00 0.00 H new ATOM 0 HA THR A 25 -2.950 -0.794 0.469 1.00 0.00 H new ATOM 0 HB THR A 25 -4.815 0.436 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.428 0.025 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.270 2.115 0.791 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.556 2.112 1.269 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.055 1.346 -0.258 1.00 0.00 H new ATOM 336 N ALA A 26 -1.039 0.371 1.537 1.00 0.00 N ATOM 337 CA ALA A 26 0.083 1.103 2.111 1.00 0.00 C ATOM 338 C ALA A 26 -0.294 2.553 2.392 1.00 0.00 C ATOM 339 O ALA A 26 -1.401 2.991 2.076 1.00 0.00 O ATOM 340 CB ALA A 26 1.286 1.039 1.182 1.00 0.00 C ATOM 0 H ALA A 26 -0.884 0.041 0.584 1.00 0.00 H new ATOM 0 HA ALA A 26 0.345 0.633 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.116 1.590 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.578 -0.001 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.027 1.482 0.220 1.00 0.00 H new ATOM 346 N THR A 27 0.633 3.296 2.991 1.00 0.00 N ATOM 347 CA THR A 27 0.397 4.696 3.317 1.00 0.00 C ATOM 348 C THR A 27 1.692 5.392 3.720 1.00 0.00 C ATOM 349 O THR A 27 2.224 5.155 4.805 1.00 0.00 O ATOM 350 CB THR A 27 -0.628 4.843 4.457 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.911 4.373 4.026 1.00 0.00 O ATOM 352 CG2 THR A 27 -0.737 6.293 4.903 1.00 0.00 C ATOM 0 H THR A 27 1.554 2.950 3.260 1.00 0.00 H new ATOM 0 HA THR A 27 -0.001 5.167 2.418 1.00 0.00 H new ATOM 0 HB THR A 27 -0.287 4.244 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.900 4.235 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.467 6.372 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.234 6.639 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.056 6.909 4.063 1.00 0.00 H new ATOM 360 N LEU A 28 2.194 6.253 2.841 1.00 0.00 N ATOM 361 CA LEU A 28 3.427 6.985 3.107 1.00 0.00 C ATOM 362 C LEU A 28 3.155 8.480 3.238 1.00 0.00 C ATOM 363 O LEU A 28 2.598 9.100 2.333 1.00 0.00 O ATOM 364 CB LEU A 28 4.442 6.736 1.990 1.00 0.00 C ATOM 365 CG LEU A 28 4.829 5.276 1.748 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.923 4.651 0.698 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.287 5.174 1.326 1.00 0.00 C ATOM 0 H LEU A 28 1.766 6.461 1.939 1.00 0.00 H new ATOM 0 HA LEU A 28 3.838 6.625 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.039 7.143 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.348 7.298 2.217 1.00 0.00 H new ATOM 0 HG LEU A 28 4.702 4.727 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.213 3.612 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.889 4.691 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.017 5.202 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.545 4.128 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.440 5.738 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.923 5.583 2.111 1.00 0.00 H new ATOM 379 N GLN A 29 3.556 9.052 4.369 1.00 0.00 N ATOM 380 CA GLN A 29 3.356 10.475 4.617 1.00 0.00 C ATOM 381 C GLN A 29 4.693 11.199 4.739 1.00 0.00 C ATOM 382 O GLN A 29 5.552 10.807 5.530 1.00 0.00 O ATOM 383 CB GLN A 29 2.532 10.682 5.889 1.00 0.00 C ATOM 384 CG GLN A 29 1.032 10.579 5.666 1.00 0.00 C ATOM 385 CD GLN A 29 0.234 10.848 6.926 1.00 0.00 C ATOM 386 OE1 GLN A 29 -0.161 11.983 7.194 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.007 9.803 7.709 1.00 0.00 N ATOM 0 H GLN A 29 4.021 8.552 5.127 1.00 0.00 H new ATOM 0 HA GLN A 29 2.813 10.893 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.832 9.942 6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.762 11.663 6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.734 11.288 4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.792 9.583 5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.339 8.880 7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.539 9.924 8.571 1.00 0.00 H new ATOM 396 N CYS A 30 4.862 12.256 3.953 1.00 0.00 N ATOM 397 CA CYS A 30 6.095 13.035 3.972 1.00 0.00 C ATOM 398 C CYS A 30 5.797 14.521 4.138 1.00 0.00 C ATOM 399 O CYS A 30 4.686 14.975 3.866 1.00 0.00 O ATOM 400 CB CYS A 30 6.890 12.802 2.686 1.00 0.00 C ATOM 401 SG CYS A 30 6.134 13.523 1.211 1.00 0.00 S ATOM 0 H CYS A 30 4.160 12.594 3.294 1.00 0.00 H new ATOM 0 HA CYS A 30 6.691 12.706 4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.890 13.218 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.008 11.729 2.534 1.00 0.00 H new ATOM 0 HG CYS A 30 6.880 13.275 0.176 1.00 0.00 H new ATOM 407 N GLU A 31 6.797 15.273 4.588 1.00 0.00 N ATOM 408 CA GLU A 31 6.640 16.708 4.792 1.00 0.00 C ATOM 409 C GLU A 31 7.525 17.495 3.829 1.00 0.00 C ATOM 410 O GLU A 31 8.392 16.930 3.162 1.00 0.00 O ATOM 411 CB GLU A 31 6.983 17.081 6.236 1.00 0.00 C ATOM 412 CG GLU A 31 6.225 18.294 6.749 1.00 0.00 C ATOM 413 CD GLU A 31 6.361 18.476 8.248 1.00 0.00 C ATOM 414 OE1 GLU A 31 5.992 17.547 8.995 1.00 0.00 O ATOM 415 OE2 GLU A 31 6.838 19.549 8.673 1.00 0.00 O ATOM 0 H GLU A 31 7.723 14.913 4.818 1.00 0.00 H new ATOM 0 HA GLU A 31 5.599 16.965 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.769 16.230 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.053 17.275 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.592 19.187 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.170 18.193 6.493 1.00 0.00 H new ATOM 422 N LEU A 32 7.298 18.802 3.761 1.00 0.00 N ATOM 423 CA LEU A 32 8.073 19.668 2.880 1.00 0.00 C ATOM 424 C LEU A 32 8.233 21.059 3.485 1.00 0.00 C ATOM 425 O LEU A 32 7.427 21.482 4.314 1.00 0.00 O ATOM 426 CB LEU A 32 7.399 19.770 1.510 1.00 0.00 C ATOM 427 CG LEU A 32 7.264 18.461 0.730 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.231 18.605 -0.377 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.609 18.041 0.157 1.00 0.00 C ATOM 0 H LEU A 32 6.584 19.285 4.305 1.00 0.00 H new ATOM 0 HA LEU A 32 9.063 19.229 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.404 20.192 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.964 20.476 0.901 1.00 0.00 H new ATOM 0 HG LEU A 32 6.926 17.684 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.148 17.665 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.264 18.859 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.539 19.395 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.494 17.108 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.977 18.817 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.322 17.897 0.969 1.00 0.00 H new ATOM 441 N SER A 33 9.276 21.767 3.063 1.00 0.00 N ATOM 442 CA SER A 33 9.542 23.110 3.564 1.00 0.00 C ATOM 443 C SER A 33 8.395 24.055 3.221 1.00 0.00 C ATOM 444 O SER A 33 8.124 25.012 3.947 1.00 0.00 O ATOM 445 CB SER A 33 10.851 23.645 2.980 1.00 0.00 C ATOM 446 OG SER A 33 11.182 24.904 3.541 1.00 0.00 O ATOM 0 H SER A 33 9.951 21.432 2.375 1.00 0.00 H new ATOM 0 HA SER A 33 9.632 23.055 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.656 22.935 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.759 23.738 1.898 1.00 0.00 H new ATOM 0 HG SER A 33 12.023 25.224 3.153 1.00 0.00 H new ATOM 452 N LYS A 34 7.722 23.780 2.109 1.00 0.00 N ATOM 453 CA LYS A 34 6.603 24.603 1.667 1.00 0.00 C ATOM 454 C LYS A 34 5.761 23.865 0.631 1.00 0.00 C ATOM 455 O LYS A 34 6.136 22.791 0.162 1.00 0.00 O ATOM 456 CB LYS A 34 7.112 25.921 1.081 1.00 0.00 C ATOM 457 CG LYS A 34 7.992 25.743 -0.144 1.00 0.00 C ATOM 458 CD LYS A 34 8.037 27.006 -0.986 1.00 0.00 C ATOM 459 CE LYS A 34 8.319 26.692 -2.448 1.00 0.00 C ATOM 460 NZ LYS A 34 7.078 26.332 -3.187 1.00 0.00 N ATOM 0 H LYS A 34 7.933 22.992 1.497 1.00 0.00 H new ATOM 0 HA LYS A 34 5.977 24.816 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.258 26.545 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.674 26.456 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.002 25.476 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.616 24.916 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.087 27.534 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.808 27.674 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.786 27.556 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.031 25.869 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.323 25.752 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.445 25.793 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.597 27.199 -3.502 1.00 0.00 H new ATOM 474 N VAL A 35 4.621 24.450 0.277 1.00 0.00 N ATOM 475 CA VAL A 35 3.727 23.849 -0.706 1.00 0.00 C ATOM 476 C VAL A 35 4.355 23.854 -2.095 1.00 0.00 C ATOM 477 O VAL A 35 4.480 24.902 -2.728 1.00 0.00 O ATOM 478 CB VAL A 35 2.377 24.589 -0.763 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.482 23.985 -1.834 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.694 24.555 0.596 1.00 0.00 C ATOM 0 H VAL A 35 4.295 25.339 0.656 1.00 0.00 H new ATOM 0 HA VAL A 35 3.556 22.820 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 35 2.564 25.631 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.533 24.521 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.971 24.066 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.300 22.935 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.742 25.082 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.518 23.520 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.332 25.038 1.336 1.00 0.00 H new ATOM 490 N ALA A 36 4.749 22.675 -2.565 1.00 0.00 N ATOM 491 CA ALA A 36 5.362 22.542 -3.880 1.00 0.00 C ATOM 492 C ALA A 36 5.018 21.198 -4.513 1.00 0.00 C ATOM 493 O ALA A 36 4.697 20.226 -3.828 1.00 0.00 O ATOM 494 CB ALA A 36 6.870 22.710 -3.779 1.00 0.00 C ATOM 0 H ALA A 36 4.654 21.798 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 36 4.963 23.328 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.315 22.608 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.100 23.697 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.278 21.945 -3.118 1.00 0.00 H new ATOM 500 N PRO A 37 5.087 21.138 -5.851 1.00 0.00 N ATOM 501 CA PRO A 37 4.786 19.917 -6.605 1.00 0.00 C ATOM 502 C PRO A 37 5.844 18.837 -6.405 1.00 0.00 C ATOM 503 O PRO A 37 7.040 19.093 -6.540 1.00 0.00 O ATOM 504 CB PRO A 37 4.776 20.393 -8.060 1.00 0.00 C ATOM 505 CG PRO A 37 5.649 21.600 -8.071 1.00 0.00 C ATOM 506 CD PRO A 37 5.463 22.257 -6.731 1.00 0.00 C ATOM 0 HA PRO A 37 3.850 19.460 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.157 19.623 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.765 20.633 -8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.692 21.326 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.370 22.276 -8.879 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.377 22.745 -6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.687 23.022 -6.763 1.00 0.00 H new ATOM 514 N VAL A 38 5.395 17.628 -6.083 1.00 0.00 N ATOM 515 CA VAL A 38 6.303 16.508 -5.866 1.00 0.00 C ATOM 516 C VAL A 38 5.972 15.345 -6.794 1.00 0.00 C ATOM 517 O VAL A 38 4.913 15.320 -7.420 1.00 0.00 O ATOM 518 CB VAL A 38 6.250 16.018 -4.407 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.604 17.146 -3.451 1.00 0.00 C ATOM 520 CG2 VAL A 38 4.876 15.448 -4.087 1.00 0.00 C ATOM 0 H VAL A 38 4.408 17.399 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 38 7.308 16.868 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 38 6.986 15.224 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.561 16.780 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.611 17.504 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.894 17.964 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.856 15.106 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.120 16.220 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.667 14.609 -4.750 1.00 0.00 H new ATOM 530 N GLU A 39 6.886 14.383 -6.877 1.00 0.00 N ATOM 531 CA GLU A 39 6.691 13.217 -7.730 1.00 0.00 C ATOM 532 C GLU A 39 7.274 11.965 -7.081 1.00 0.00 C ATOM 533 O GLU A 39 8.472 11.896 -6.806 1.00 0.00 O ATOM 534 CB GLU A 39 7.338 13.444 -9.098 1.00 0.00 C ATOM 535 CG GLU A 39 6.723 12.608 -10.208 1.00 0.00 C ATOM 536 CD GLU A 39 6.908 13.231 -11.578 1.00 0.00 C ATOM 537 OE1 GLU A 39 8.070 13.387 -12.008 1.00 0.00 O ATOM 538 OE2 GLU A 39 5.890 13.563 -12.221 1.00 0.00 O ATOM 0 H GLU A 39 7.768 14.388 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 39 5.619 13.071 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.254 14.499 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.402 13.216 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.172 11.615 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.659 12.478 -10.013 1.00 0.00 H new ATOM 545 N TRP A 40 6.419 10.978 -6.839 1.00 0.00 N ATOM 546 CA TRP A 40 6.849 9.729 -6.222 1.00 0.00 C ATOM 547 C TRP A 40 7.512 8.815 -7.246 1.00 0.00 C ATOM 548 O TRP A 40 7.117 8.783 -8.412 1.00 0.00 O ATOM 549 CB TRP A 40 5.656 9.016 -5.581 1.00 0.00 C ATOM 550 CG TRP A 40 4.988 9.823 -4.509 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.264 10.969 -4.677 1.00 0.00 C ATOM 552 CD2 TRP A 40 4.984 9.546 -3.105 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.810 11.420 -3.462 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.237 10.565 -2.481 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.536 8.535 -2.313 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.032 10.601 -1.105 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.332 8.572 -0.947 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.584 9.599 -0.354 1.00 0.00 C ATOM 0 H TRP A 40 5.424 11.019 -7.061 1.00 0.00 H new ATOM 0 HA TRP A 40 7.580 9.968 -5.449 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.926 8.777 -6.354 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.992 8.070 -5.157 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.076 11.450 -5.626 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.246 12.257 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.112 7.739 -2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.457 11.392 -0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.756 7.797 -0.326 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.441 9.599 0.716 1.00 0.00 H new ATOM 569 N LYS A 41 8.522 8.073 -6.805 1.00 0.00 N ATOM 570 CA LYS A 41 9.240 7.157 -7.684 1.00 0.00 C ATOM 571 C LYS A 41 9.560 5.851 -6.963 1.00 0.00 C ATOM 572 O LYS A 41 9.793 5.838 -5.755 1.00 0.00 O ATOM 573 CB LYS A 41 10.533 7.806 -8.184 1.00 0.00 C ATOM 574 CG LYS A 41 10.371 8.548 -9.499 1.00 0.00 C ATOM 575 CD LYS A 41 11.648 8.509 -10.322 1.00 0.00 C ATOM 576 CE LYS A 41 11.434 9.089 -11.712 1.00 0.00 C ATOM 577 NZ LYS A 41 12.702 9.600 -12.301 1.00 0.00 N ATOM 0 H LYS A 41 8.862 8.088 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 41 8.599 6.934 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.898 8.500 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.294 7.035 -8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.555 8.104 -10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.096 9.584 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.430 9.069 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.997 7.480 -10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.013 8.324 -12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.706 9.898 -11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.514 9.987 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.091 10.348 -11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.389 8.822 -12.375 1.00 0.00 H new ATOM 591 N LYS A 42 9.570 4.755 -7.713 1.00 0.00 N ATOM 592 CA LYS A 42 9.864 3.443 -7.148 1.00 0.00 C ATOM 593 C LYS A 42 11.196 2.913 -7.668 1.00 0.00 C ATOM 594 O LYS A 42 11.556 1.762 -7.422 1.00 0.00 O ATOM 595 CB LYS A 42 8.743 2.457 -7.485 1.00 0.00 C ATOM 596 CG LYS A 42 8.992 1.052 -6.963 1.00 0.00 C ATOM 597 CD LYS A 42 7.718 0.225 -6.958 1.00 0.00 C ATOM 598 CE LYS A 42 7.994 -1.223 -6.585 1.00 0.00 C ATOM 599 NZ LYS A 42 7.028 -2.156 -7.228 1.00 0.00 N ATOM 0 H LYS A 42 9.378 4.749 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 42 9.933 3.548 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.806 2.829 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.619 2.417 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.743 0.561 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.396 1.105 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.007 0.654 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.253 0.266 -7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.008 -1.488 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.941 -1.335 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.250 -3.133 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.062 -1.920 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.096 -2.068 -8.262 1.00 0.00 H new ATOM 613 N GLY A 43 11.925 3.760 -8.388 1.00 0.00 N ATOM 614 CA GLY A 43 13.210 3.358 -8.930 1.00 0.00 C ATOM 615 C GLY A 43 13.608 4.173 -10.145 1.00 0.00 C ATOM 616 O GLY A 43 13.373 5.380 -10.213 1.00 0.00 O ATOM 0 H GLY A 43 11.649 4.717 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.974 3.463 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.173 2.303 -9.201 1.00 0.00 H new ATOM 620 N PRO A 44 14.226 3.508 -11.132 1.00 0.00 N ATOM 621 CA PRO A 44 14.672 4.160 -12.367 1.00 0.00 C ATOM 622 C PRO A 44 13.504 4.584 -13.252 1.00 0.00 C ATOM 623 O PRO A 44 13.703 5.076 -14.362 1.00 0.00 O ATOM 624 CB PRO A 44 15.502 3.076 -13.060 1.00 0.00 C ATOM 625 CG PRO A 44 14.963 1.791 -12.533 1.00 0.00 C ATOM 626 CD PRO A 44 14.539 2.069 -11.118 1.00 0.00 C ATOM 0 HA PRO A 44 15.226 5.078 -12.167 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.401 3.133 -14.144 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.563 3.183 -12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.120 1.446 -13.132 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.720 1.007 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.672 1.472 -10.834 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.333 1.837 -10.408 1.00 0.00 H new ATOM 634 N GLU A 45 12.288 4.389 -12.752 1.00 0.00 N ATOM 635 CA GLU A 45 11.089 4.752 -13.499 1.00 0.00 C ATOM 636 C GLU A 45 10.286 5.816 -12.756 1.00 0.00 C ATOM 637 O GLU A 45 10.578 6.139 -11.604 1.00 0.00 O ATOM 638 CB GLU A 45 10.219 3.517 -13.741 1.00 0.00 C ATOM 639 CG GLU A 45 10.519 2.808 -15.051 1.00 0.00 C ATOM 640 CD GLU A 45 10.261 1.316 -14.979 1.00 0.00 C ATOM 641 OE1 GLU A 45 10.680 0.689 -13.984 1.00 0.00 O ATOM 642 OE2 GLU A 45 9.640 0.775 -15.918 1.00 0.00 O ATOM 0 H GLU A 45 12.107 3.982 -11.834 1.00 0.00 H new ATOM 0 HA GLU A 45 11.401 5.162 -14.460 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.360 2.817 -12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.170 3.814 -13.730 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.907 3.241 -15.842 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.560 2.980 -15.323 1.00 0.00 H new ATOM 649 N THR A 46 9.273 6.359 -13.425 1.00 0.00 N ATOM 650 CA THR A 46 8.429 7.387 -12.830 1.00 0.00 C ATOM 651 C THR A 46 6.990 6.903 -12.690 1.00 0.00 C ATOM 652 O THR A 46 6.422 6.332 -13.623 1.00 0.00 O ATOM 653 CB THR A 46 8.445 8.680 -13.667 1.00 0.00 C ATOM 654 OG1 THR A 46 9.729 8.854 -14.275 1.00 0.00 O ATOM 655 CG2 THR A 46 8.120 9.888 -12.801 1.00 0.00 C ATOM 0 H THR A 46 9.018 6.104 -14.379 1.00 0.00 H new ATOM 0 HA THR A 46 8.836 7.598 -11.841 1.00 0.00 H new ATOM 0 HB THR A 46 7.685 8.594 -14.444 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.730 9.677 -14.807 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.137 10.790 -13.413 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.130 9.766 -12.363 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.860 9.975 -12.006 1.00 0.00 H new ATOM 663 N LEU A 47 6.403 7.136 -11.521 1.00 0.00 N ATOM 664 CA LEU A 47 5.028 6.725 -11.259 1.00 0.00 C ATOM 665 C LEU A 47 4.071 7.903 -11.402 1.00 0.00 C ATOM 666 O LEU A 47 4.498 9.047 -11.559 1.00 0.00 O ATOM 667 CB LEU A 47 4.913 6.126 -9.856 1.00 0.00 C ATOM 668 CG LEU A 47 5.866 4.974 -9.537 1.00 0.00 C ATOM 669 CD1 LEU A 47 6.113 4.884 -8.040 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.311 3.660 -10.068 1.00 0.00 C ATOM 0 H LEU A 47 6.858 7.608 -10.739 1.00 0.00 H new ATOM 0 HA LEU A 47 4.754 5.968 -11.994 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.080 6.921 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.891 5.775 -9.716 1.00 0.00 H new ATOM 0 HG LEU A 47 6.818 5.169 -10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.794 4.058 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.555 5.816 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.168 4.713 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.002 2.851 -9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.345 3.459 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.187 3.728 -11.149 1.00 0.00 H new ATOM 682 N ARG A 48 2.775 7.616 -11.344 1.00 0.00 N ATOM 683 CA ARG A 48 1.756 8.653 -11.466 1.00 0.00 C ATOM 684 C ARG A 48 0.510 8.287 -10.665 1.00 0.00 C ATOM 685 O ARG A 48 0.333 7.137 -10.264 1.00 0.00 O ATOM 686 CB ARG A 48 1.387 8.865 -12.935 1.00 0.00 C ATOM 687 CG ARG A 48 2.349 9.777 -13.679 1.00 0.00 C ATOM 688 CD ARG A 48 2.055 11.243 -13.400 1.00 0.00 C ATOM 689 NE ARG A 48 2.840 12.131 -14.252 1.00 0.00 N ATOM 690 CZ ARG A 48 2.681 13.449 -14.285 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.769 14.029 -13.516 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.434 14.190 -15.087 1.00 0.00 N ATOM 0 H ARG A 48 2.405 6.674 -11.213 1.00 0.00 H new ATOM 0 HA ARG A 48 2.166 9.580 -11.064 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.356 7.898 -13.436 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.383 9.286 -12.992 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.373 9.547 -13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.277 9.588 -14.750 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.994 11.436 -13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.268 11.463 -12.354 1.00 0.00 H new ATOM 0 HE ARG A 48 3.550 11.716 -14.855 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.188 13.462 -12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.649 15.042 -13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.136 13.748 -15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.311 15.202 -15.111 1.00 0.00 H new ATOM 706 N ASP A 49 -0.349 9.274 -10.435 1.00 0.00 N ATOM 707 CA ASP A 49 -1.580 9.056 -9.683 1.00 0.00 C ATOM 708 C ASP A 49 -2.688 8.537 -10.592 1.00 0.00 C ATOM 709 O ASP A 49 -2.983 9.129 -11.629 1.00 0.00 O ATOM 710 CB ASP A 49 -2.024 10.354 -9.006 1.00 0.00 C ATOM 711 CG ASP A 49 -2.910 11.199 -9.900 1.00 0.00 C ATOM 712 OD1 ASP A 49 -2.446 11.595 -10.990 1.00 0.00 O ATOM 713 OD2 ASP A 49 -4.066 11.466 -9.510 1.00 0.00 O ATOM 0 H ASP A 49 -0.216 10.232 -10.758 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.382 8.305 -8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.561 10.116 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.144 10.931 -8.721 1.00 0.00 H new ATOM 718 N GLY A 50 -3.299 7.424 -10.196 1.00 0.00 N ATOM 719 CA GLY A 50 -4.367 6.842 -10.988 1.00 0.00 C ATOM 720 C GLY A 50 -5.204 5.857 -10.197 1.00 0.00 C ATOM 721 O GLY A 50 -6.059 6.252 -9.405 1.00 0.00 O ATOM 0 H GLY A 50 -3.073 6.915 -9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.009 7.637 -11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.939 6.337 -11.854 1.00 0.00 H new ATOM 725 N GLY A 51 -4.960 4.567 -10.412 1.00 0.00 N ATOM 726 CA GLY A 51 -5.707 3.543 -9.707 1.00 0.00 C ATOM 727 C GLY A 51 -5.077 3.177 -8.378 1.00 0.00 C ATOM 728 O GLY A 51 -5.103 3.966 -7.433 1.00 0.00 O ATOM 0 H GLY A 51 -4.258 4.214 -11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.726 3.892 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.774 2.652 -10.331 1.00 0.00 H new ATOM 732 N ARG A 52 -4.511 1.977 -8.303 1.00 0.00 N ATOM 733 CA ARG A 52 -3.875 1.507 -7.078 1.00 0.00 C ATOM 734 C ARG A 52 -3.144 2.647 -6.374 1.00 0.00 C ATOM 735 O ARG A 52 -3.341 2.881 -5.182 1.00 0.00 O ATOM 736 CB ARG A 52 -2.896 0.374 -7.390 1.00 0.00 C ATOM 737 CG ARG A 52 -3.527 -1.008 -7.336 1.00 0.00 C ATOM 738 CD ARG A 52 -4.163 -1.381 -8.666 1.00 0.00 C ATOM 739 NE ARG A 52 -3.163 -1.643 -9.698 1.00 0.00 N ATOM 740 CZ ARG A 52 -3.419 -2.313 -10.816 1.00 0.00 C ATOM 741 NH1 ARG A 52 -4.636 -2.785 -11.046 1.00 0.00 N ATOM 742 NH2 ARG A 52 -2.456 -2.510 -11.707 1.00 0.00 N ATOM 0 H ARG A 52 -4.480 1.312 -9.076 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.654 1.132 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.474 0.533 -8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.069 0.414 -6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.768 -1.746 -7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.282 -1.034 -6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.787 -2.265 -8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.818 -0.574 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.216 -1.292 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.379 -2.634 -10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.830 -3.299 -11.905 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.519 -2.147 -11.534 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.653 -3.025 -12.565 1.00 0.00 H new ATOM 756 N TYR A 53 -2.299 3.350 -7.119 1.00 0.00 N ATOM 757 CA TYR A 53 -1.536 4.463 -6.566 1.00 0.00 C ATOM 758 C TYR A 53 -2.426 5.685 -6.361 1.00 0.00 C ATOM 759 O TYR A 53 -2.881 6.304 -7.322 1.00 0.00 O ATOM 760 CB TYR A 53 -0.370 4.818 -7.490 1.00 0.00 C ATOM 761 CG TYR A 53 0.689 3.741 -7.569 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.252 3.206 -6.417 1.00 0.00 C ATOM 763 CD2 TYR A 53 1.127 3.259 -8.796 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.219 2.223 -6.484 1.00 0.00 C ATOM 765 CE2 TYR A 53 2.093 2.274 -8.873 1.00 0.00 C ATOM 766 CZ TYR A 53 2.636 1.760 -7.715 1.00 0.00 C ATOM 767 OH TYR A 53 3.600 0.780 -7.788 1.00 0.00 O ATOM 0 H TYR A 53 -2.125 3.169 -8.108 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.143 4.155 -5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.756 5.010 -8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.090 5.743 -7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.927 3.566 -5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.705 3.661 -9.705 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.646 1.819 -5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.421 1.909 -9.835 1.00 0.00 H new ATOM 0 HH TYR A 53 3.779 0.566 -8.728 1.00 0.00 H new ATOM 777 N SER A 54 -2.670 6.026 -5.099 1.00 0.00 N ATOM 778 CA SER A 54 -3.508 7.171 -4.765 1.00 0.00 C ATOM 779 C SER A 54 -2.752 8.158 -3.880 1.00 0.00 C ATOM 780 O SER A 54 -2.615 7.949 -2.674 1.00 0.00 O ATOM 781 CB SER A 54 -4.783 6.708 -4.058 1.00 0.00 C ATOM 782 OG SER A 54 -5.818 6.449 -4.991 1.00 0.00 O ATOM 0 H SER A 54 -2.299 5.525 -4.292 1.00 0.00 H new ATOM 0 HA SER A 54 -3.778 7.675 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.576 5.807 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.109 7.472 -3.351 1.00 0.00 H new ATOM 0 HG SER A 54 -6.622 6.153 -4.514 1.00 0.00 H new ATOM 788 N LEU A 55 -2.262 9.233 -4.488 1.00 0.00 N ATOM 789 CA LEU A 55 -1.520 10.253 -3.756 1.00 0.00 C ATOM 790 C LEU A 55 -2.410 11.449 -3.434 1.00 0.00 C ATOM 791 O LEU A 55 -3.243 11.853 -4.246 1.00 0.00 O ATOM 792 CB LEU A 55 -0.307 10.710 -4.569 1.00 0.00 C ATOM 793 CG LEU A 55 0.454 9.612 -5.313 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.311 9.180 -6.554 1.00 0.00 C ATOM 795 CD2 LEU A 55 1.851 10.089 -5.684 1.00 0.00 C ATOM 0 H LEU A 55 -2.365 9.421 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.178 9.816 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.640 11.450 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.387 11.214 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 55 0.550 8.751 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.246 8.398 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.289 8.797 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.438 10.034 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.378 9.295 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.777 10.966 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.399 10.348 -4.778 1.00 0.00 H new ATOM 807 N LYS A 56 -2.226 12.014 -2.246 1.00 0.00 N ATOM 808 CA LYS A 56 -3.010 13.167 -1.817 1.00 0.00 C ATOM 809 C LYS A 56 -2.113 14.234 -1.198 1.00 0.00 C ATOM 810 O LYS A 56 -1.394 13.971 -0.235 1.00 0.00 O ATOM 811 CB LYS A 56 -4.078 12.736 -0.808 1.00 0.00 C ATOM 812 CG LYS A 56 -5.071 13.834 -0.469 1.00 0.00 C ATOM 813 CD LYS A 56 -5.863 13.502 0.784 1.00 0.00 C ATOM 814 CE LYS A 56 -7.135 12.736 0.453 1.00 0.00 C ATOM 815 NZ LYS A 56 -8.137 12.823 1.552 1.00 0.00 N ATOM 0 H LYS A 56 -1.541 11.692 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.498 13.591 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.619 11.879 -1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.588 12.405 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.540 14.775 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.755 13.978 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.246 12.910 1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.118 14.422 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.568 13.131 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.891 11.690 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.989 12.288 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.733 12.423 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.389 13.819 1.714 1.00 0.00 H new ATOM 829 N GLN A 57 -2.162 15.439 -1.758 1.00 0.00 N ATOM 830 CA GLN A 57 -1.354 16.546 -1.261 1.00 0.00 C ATOM 831 C GLN A 57 -2.144 17.395 -0.270 1.00 0.00 C ATOM 832 O GLN A 57 -3.136 18.027 -0.633 1.00 0.00 O ATOM 833 CB GLN A 57 -0.870 17.415 -2.423 1.00 0.00 C ATOM 834 CG GLN A 57 0.071 18.530 -1.998 1.00 0.00 C ATOM 835 CD GLN A 57 1.014 18.953 -3.107 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.651 18.943 -4.284 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.233 19.327 -2.738 1.00 0.00 N ATOM 0 H GLN A 57 -2.753 15.673 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.490 16.128 -0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.364 16.783 -3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.734 17.851 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.514 19.391 -1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.653 18.201 -1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.492 19.320 -1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.911 19.621 -3.441 1.00 0.00 H new ATOM 846 N ASP A 58 -1.699 17.404 0.981 1.00 0.00 N ATOM 847 CA ASP A 58 -2.364 18.176 2.024 1.00 0.00 C ATOM 848 C ASP A 58 -1.465 19.303 2.523 1.00 0.00 C ATOM 849 O ASP A 58 -0.757 19.152 3.517 1.00 0.00 O ATOM 850 CB ASP A 58 -2.757 17.266 3.189 1.00 0.00 C ATOM 851 CG ASP A 58 -4.108 16.611 2.982 1.00 0.00 C ATOM 852 OD1 ASP A 58 -4.402 16.204 1.838 1.00 0.00 O ATOM 853 OD2 ASP A 58 -4.872 16.504 3.964 1.00 0.00 O ATOM 0 H ASP A 58 -0.880 16.885 1.298 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.265 18.617 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.998 16.494 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.776 17.848 4.110 1.00 0.00 H new ATOM 858 N GLY A 59 -1.499 20.433 1.824 1.00 0.00 N ATOM 859 CA GLY A 59 -0.683 21.569 2.210 1.00 0.00 C ATOM 860 C GLY A 59 0.797 21.318 1.999 1.00 0.00 C ATOM 861 O GLY A 59 1.289 21.369 0.872 1.00 0.00 O ATOM 0 H GLY A 59 -2.077 20.582 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.986 22.443 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.863 21.802 3.260 1.00 0.00 H new ATOM 865 N THR A 60 1.511 21.046 3.088 1.00 0.00 N ATOM 866 CA THR A 60 2.943 20.789 3.017 1.00 0.00 C ATOM 867 C THR A 60 3.251 19.317 3.265 1.00 0.00 C ATOM 868 O THR A 60 4.363 18.962 3.654 1.00 0.00 O ATOM 869 CB THR A 60 3.718 21.642 4.040 1.00 0.00 C ATOM 870 OG1 THR A 60 3.100 21.544 5.328 1.00 0.00 O ATOM 871 CG2 THR A 60 3.766 23.099 3.604 1.00 0.00 C ATOM 0 H THR A 60 1.120 20.998 4.029 1.00 0.00 H new ATOM 0 HA THR A 60 3.263 21.060 2.011 1.00 0.00 H new ATOM 0 HB THR A 60 4.738 21.263 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.599 22.087 5.973 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.318 23.682 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.263 23.173 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.751 23.487 3.521 1.00 0.00 H new ATOM 879 N ARG A 61 2.258 18.463 3.035 1.00 0.00 N ATOM 880 CA ARG A 61 2.422 17.028 3.234 1.00 0.00 C ATOM 881 C ARG A 61 1.776 16.244 2.096 1.00 0.00 C ATOM 882 O ARG A 61 0.895 16.752 1.401 1.00 0.00 O ATOM 883 CB ARG A 61 1.812 16.604 4.571 1.00 0.00 C ATOM 884 CG ARG A 61 2.716 16.867 5.764 1.00 0.00 C ATOM 885 CD ARG A 61 1.962 16.724 7.077 1.00 0.00 C ATOM 886 NE ARG A 61 1.795 15.326 7.463 1.00 0.00 N ATOM 887 CZ ARG A 61 2.727 14.622 8.097 1.00 0.00 C ATOM 888 NH1 ARG A 61 3.884 15.184 8.415 1.00 0.00 N ATOM 889 NH2 ARG A 61 2.501 13.354 8.414 1.00 0.00 N ATOM 0 H ARG A 61 1.332 18.740 2.711 1.00 0.00 H new ATOM 0 HA ARG A 61 3.489 16.808 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.871 17.134 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.576 15.541 4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.554 16.171 5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.134 17.871 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.499 17.255 7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.983 17.194 6.986 1.00 0.00 H new ATOM 0 HE ARG A 61 0.915 14.864 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.061 16.159 8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.598 14.642 8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.611 12.918 8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.217 12.815 8.901 1.00 0.00 H new ATOM 903 N CYS A 62 2.219 15.006 1.911 1.00 0.00 N ATOM 904 CA CYS A 62 1.685 14.152 0.856 1.00 0.00 C ATOM 905 C CYS A 62 1.481 12.727 1.361 1.00 0.00 C ATOM 906 O CYS A 62 2.326 12.184 2.072 1.00 0.00 O ATOM 907 CB CYS A 62 2.625 14.149 -0.351 1.00 0.00 C ATOM 908 SG CYS A 62 2.691 15.722 -1.239 1.00 0.00 S ATOM 0 H CYS A 62 2.947 14.571 2.478 1.00 0.00 H new ATOM 0 HA CYS A 62 0.718 14.552 0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.629 13.891 -0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.309 13.367 -1.042 1.00 0.00 H new ATOM 0 HG CYS A 62 2.067 16.634 -0.554 1.00 0.00 H new ATOM 914 N GLU A 63 0.354 12.129 0.989 1.00 0.00 N ATOM 915 CA GLU A 63 0.038 10.768 1.407 1.00 0.00 C ATOM 916 C GLU A 63 -0.122 9.851 0.198 1.00 0.00 C ATOM 917 O GLU A 63 -0.982 10.074 -0.655 1.00 0.00 O ATOM 918 CB GLU A 63 -1.241 10.752 2.246 1.00 0.00 C ATOM 919 CG GLU A 63 -1.600 9.377 2.783 1.00 0.00 C ATOM 920 CD GLU A 63 -2.736 9.420 3.787 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.743 10.106 3.515 1.00 0.00 O ATOM 922 OE2 GLU A 63 -2.617 8.768 4.845 1.00 0.00 O ATOM 0 H GLU A 63 -0.355 12.565 0.399 1.00 0.00 H new ATOM 0 HA GLU A 63 0.866 10.400 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.125 11.441 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.068 11.123 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.879 8.728 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.722 8.934 3.253 1.00 0.00 H new ATOM 929 N LEU A 64 0.711 8.819 0.132 1.00 0.00 N ATOM 930 CA LEU A 64 0.664 7.867 -0.973 1.00 0.00 C ATOM 931 C LEU A 64 0.059 6.541 -0.523 1.00 0.00 C ATOM 932 O LEU A 64 0.558 5.903 0.404 1.00 0.00 O ATOM 933 CB LEU A 64 2.068 7.636 -1.534 1.00 0.00 C ATOM 934 CG LEU A 64 2.230 6.432 -2.463 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.618 6.723 -3.825 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.699 6.061 -2.604 1.00 0.00 C ATOM 0 H LEU A 64 1.427 8.619 0.830 1.00 0.00 H new ATOM 0 HA LEU A 64 0.032 8.287 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.373 8.531 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.757 7.520 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 64 1.703 5.585 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.743 5.855 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.556 6.939 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.116 7.584 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.795 5.202 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.249 6.905 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.106 5.809 -1.625 1.00 0.00 H new ATOM 948 N GLN A 65 -1.017 6.131 -1.187 1.00 0.00 N ATOM 949 CA GLN A 65 -1.688 4.880 -0.856 1.00 0.00 C ATOM 950 C GLN A 65 -1.535 3.865 -1.983 1.00 0.00 C ATOM 951 O GLN A 65 -1.820 4.164 -3.144 1.00 0.00 O ATOM 952 CB GLN A 65 -3.172 5.130 -0.577 1.00 0.00 C ATOM 953 CG GLN A 65 -3.458 5.562 0.852 1.00 0.00 C ATOM 954 CD GLN A 65 -4.796 6.261 0.994 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.464 6.554 0.002 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.194 6.532 2.231 1.00 0.00 N ATOM 0 H GLN A 65 -1.442 6.647 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.220 4.473 0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.537 5.897 -1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.732 4.220 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.438 4.688 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.666 6.230 1.191 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.608 6.271 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.086 7.001 2.389 1.00 0.00 H new ATOM 965 N ILE A 66 -1.083 2.665 -1.635 1.00 0.00 N ATOM 966 CA ILE A 66 -0.892 1.606 -2.618 1.00 0.00 C ATOM 967 C ILE A 66 -1.898 0.478 -2.413 1.00 0.00 C ATOM 968 O ILE A 66 -1.632 -0.482 -1.690 1.00 0.00 O ATOM 969 CB ILE A 66 0.533 1.026 -2.552 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.561 2.153 -2.437 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.814 0.169 -3.778 1.00 0.00 C ATOM 972 CD1 ILE A 66 2.814 1.754 -1.690 1.00 0.00 C ATOM 0 H ILE A 66 -0.842 2.402 -0.679 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.047 2.055 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 66 0.612 0.396 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.835 2.487 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.102 3.003 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.825 -0.234 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.098 -0.652 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.720 0.778 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.498 2.602 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.552 1.448 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.297 0.924 -2.206 1.00 0.00 H new ATOM 984 N HIS A 67 -3.055 0.600 -3.057 1.00 0.00 N ATOM 985 CA HIS A 67 -4.101 -0.411 -2.948 1.00 0.00 C ATOM 986 C HIS A 67 -3.624 -1.749 -3.505 1.00 0.00 C ATOM 987 O HIS A 67 -2.822 -1.793 -4.438 1.00 0.00 O ATOM 988 CB HIS A 67 -5.359 0.044 -3.688 1.00 0.00 C ATOM 989 CG HIS A 67 -5.925 1.331 -3.172 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.550 1.440 -1.947 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.957 2.567 -3.721 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.943 2.688 -1.767 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.595 3.393 -2.828 1.00 0.00 N ATOM 0 H HIS A 67 -3.292 1.388 -3.659 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.337 -0.541 -1.892 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.127 0.158 -4.747 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -6.118 -0.734 -3.610 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.556 2.851 -4.682 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.461 3.068 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.771 4.389 -2.962 1.00 0.00 H new ATOM 1002 N ASP A 68 -4.121 -2.836 -2.927 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.746 -4.176 -3.366 1.00 0.00 C ATOM 1004 C ASP A 68 -2.260 -4.427 -3.134 1.00 0.00 C ATOM 1005 O ASP A 68 -1.567 -4.960 -4.001 1.00 0.00 O ATOM 1006 CB ASP A 68 -4.083 -4.363 -4.846 1.00 0.00 C ATOM 1007 CG ASP A 68 -5.491 -4.885 -5.058 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -6.445 -4.094 -4.908 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -5.638 -6.085 -5.372 1.00 0.00 O ATOM 0 H ASP A 68 -4.785 -2.816 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.314 -4.897 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.970 -3.411 -5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.370 -5.056 -5.293 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.776 -4.039 -1.959 1.00 0.00 N ATOM 1015 CA LEU A 69 -0.370 -4.221 -1.613 1.00 0.00 C ATOM 1016 C LEU A 69 0.127 -5.593 -2.058 1.00 0.00 C ATOM 1017 O LEU A 69 -0.662 -6.519 -2.247 1.00 0.00 O ATOM 1018 CB LEU A 69 -0.171 -4.059 -0.105 1.00 0.00 C ATOM 1019 CG LEU A 69 0.150 -2.645 0.381 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.386 -2.638 1.884 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.362 -2.091 -0.353 1.00 0.00 C ATOM 0 H LEU A 69 -2.336 -3.597 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 69 0.209 -3.458 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.076 -4.398 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.636 -4.721 0.208 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.705 -2.004 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.613 -1.624 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.509 -2.993 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.224 -3.293 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.576 -1.084 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.224 -2.732 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.156 -2.059 -1.423 1.00 0.00 H new ATOM 1033 N SER A 70 1.440 -5.716 -2.222 1.00 0.00 N ATOM 1034 CA SER A 70 2.043 -6.974 -2.646 1.00 0.00 C ATOM 1035 C SER A 70 3.515 -7.033 -2.250 1.00 0.00 C ATOM 1036 O SER A 70 4.170 -6.002 -2.096 1.00 0.00 O ATOM 1037 CB SER A 70 1.903 -7.146 -4.160 1.00 0.00 C ATOM 1038 OG SER A 70 1.827 -8.516 -4.513 1.00 0.00 O ATOM 0 H SER A 70 2.107 -4.960 -2.068 1.00 0.00 H new ATOM 0 HA SER A 70 1.518 -7.787 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.009 -6.628 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.754 -6.685 -4.662 1.00 0.00 H new ATOM 0 HG SER A 70 1.736 -8.599 -5.485 1.00 0.00 H new ATOM 1044 N VAL A 71 4.029 -8.248 -2.085 1.00 0.00 N ATOM 1045 CA VAL A 71 5.424 -8.443 -1.708 1.00 0.00 C ATOM 1046 C VAL A 71 6.362 -7.764 -2.699 1.00 0.00 C ATOM 1047 O VAL A 71 7.507 -7.453 -2.373 1.00 0.00 O ATOM 1048 CB VAL A 71 5.779 -9.939 -1.624 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.339 -10.518 -0.288 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.146 -10.701 -2.779 1.00 0.00 C ATOM 0 H VAL A 71 3.500 -9.112 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 71 5.552 -7.991 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 71 6.861 -10.043 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.598 -11.576 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.843 -9.989 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.260 -10.404 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.407 -11.757 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.062 -10.591 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.515 -10.302 -3.724 1.00 0.00 H new ATOM 1060 N ALA A 72 5.867 -7.536 -3.912 1.00 0.00 N ATOM 1061 CA ALA A 72 6.661 -6.891 -4.951 1.00 0.00 C ATOM 1062 C ALA A 72 6.792 -5.394 -4.692 1.00 0.00 C ATOM 1063 O ALA A 72 7.797 -4.779 -5.047 1.00 0.00 O ATOM 1064 CB ALA A 72 6.041 -7.140 -6.318 1.00 0.00 C ATOM 0 H ALA A 72 4.921 -7.788 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 72 7.661 -7.325 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.643 -6.653 -7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.005 -8.212 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.030 -6.733 -6.338 1.00 0.00 H new ATOM 1070 N ASP A 73 5.770 -4.814 -4.073 1.00 0.00 N ATOM 1071 CA ASP A 73 5.771 -3.388 -3.766 1.00 0.00 C ATOM 1072 C ASP A 73 6.819 -3.061 -2.707 1.00 0.00 C ATOM 1073 O ASP A 73 7.393 -1.973 -2.703 1.00 0.00 O ATOM 1074 CB ASP A 73 4.387 -2.946 -3.287 1.00 0.00 C ATOM 1075 CG ASP A 73 3.351 -2.989 -4.392 1.00 0.00 C ATOM 1076 OD1 ASP A 73 3.344 -3.972 -5.161 1.00 0.00 O ATOM 1077 OD2 ASP A 73 2.546 -2.038 -4.488 1.00 0.00 O ATOM 0 H ASP A 73 4.930 -5.309 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 73 6.021 -2.845 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.067 -3.589 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.449 -1.932 -2.891 1.00 0.00 H new ATOM 1082 N ALA A 74 7.061 -4.010 -1.809 1.00 0.00 N ATOM 1083 CA ALA A 74 8.040 -3.824 -0.745 1.00 0.00 C ATOM 1084 C ALA A 74 9.425 -3.540 -1.317 1.00 0.00 C ATOM 1085 O ALA A 74 10.127 -4.453 -1.750 1.00 0.00 O ATOM 1086 CB ALA A 74 8.080 -5.048 0.156 1.00 0.00 C ATOM 0 H ALA A 74 6.592 -4.916 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 74 7.736 -2.961 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.815 -4.895 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.097 -5.205 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.356 -5.924 -0.432 1.00 0.00 H new ATOM 1092 N GLY A 75 9.812 -2.268 -1.316 1.00 0.00 N ATOM 1093 CA GLY A 75 11.112 -1.888 -1.838 1.00 0.00 C ATOM 1094 C GLY A 75 11.587 -0.555 -1.296 1.00 0.00 C ATOM 1095 O GLY A 75 11.707 -0.379 -0.084 1.00 0.00 O ATOM 0 H GLY A 75 9.249 -1.494 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.840 -2.659 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.063 -1.838 -2.926 1.00 0.00 H new ATOM 1099 N GLU A 76 11.860 0.385 -2.195 1.00 0.00 N ATOM 1100 CA GLU A 76 12.327 1.708 -1.798 1.00 0.00 C ATOM 1101 C GLU A 76 11.667 2.794 -2.643 1.00 0.00 C ATOM 1102 O GLU A 76 11.951 2.929 -3.833 1.00 0.00 O ATOM 1103 CB GLU A 76 13.849 1.797 -1.933 1.00 0.00 C ATOM 1104 CG GLU A 76 14.457 2.975 -1.191 1.00 0.00 C ATOM 1105 CD GLU A 76 15.894 2.725 -0.777 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.105 2.104 0.287 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.808 3.149 -1.514 1.00 0.00 O ATOM 0 H GLU A 76 11.766 0.255 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 76 12.051 1.865 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.293 0.874 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.108 1.871 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.414 3.860 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.860 3.189 -0.305 1.00 0.00 H new ATOM 1114 N TYR A 77 10.784 3.566 -2.018 1.00 0.00 N ATOM 1115 CA TYR A 77 10.081 4.639 -2.711 1.00 0.00 C ATOM 1116 C TYR A 77 10.728 5.990 -2.423 1.00 0.00 C ATOM 1117 O TYR A 77 10.790 6.429 -1.275 1.00 0.00 O ATOM 1118 CB TYR A 77 8.610 4.666 -2.293 1.00 0.00 C ATOM 1119 CG TYR A 77 7.846 3.420 -2.683 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.928 2.263 -1.917 1.00 0.00 C ATOM 1121 CD2 TYR A 77 7.044 3.399 -3.817 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.233 1.122 -2.270 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.345 2.263 -4.176 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.443 1.128 -3.400 1.00 0.00 C ATOM 1125 OH TYR A 77 5.748 -0.006 -3.755 1.00 0.00 O ATOM 0 H TYR A 77 10.538 3.468 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 77 10.144 4.448 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.550 4.795 -1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.129 5.533 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.545 2.256 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.966 4.286 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.308 0.231 -1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.725 2.264 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 77 6.222 -0.797 -3.424 1.00 0.00 H new ATOM 1135 N SER A 78 11.207 6.645 -3.475 1.00 0.00 N ATOM 1136 CA SER A 78 11.853 7.945 -3.337 1.00 0.00 C ATOM 1137 C SER A 78 10.954 9.057 -3.868 1.00 0.00 C ATOM 1138 O SER A 78 10.301 8.903 -4.902 1.00 0.00 O ATOM 1139 CB SER A 78 13.190 7.956 -4.080 1.00 0.00 C ATOM 1140 OG SER A 78 13.783 6.669 -4.083 1.00 0.00 O ATOM 0 H SER A 78 11.160 6.297 -4.433 1.00 0.00 H new ATOM 0 HA SER A 78 12.034 8.122 -2.277 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.037 8.291 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.866 8.670 -3.609 1.00 0.00 H new ATOM 0 HG SER A 78 14.548 6.663 -4.695 1.00 0.00 H new ATOM 1146 N CYS A 79 10.925 10.178 -3.155 1.00 0.00 N ATOM 1147 CA CYS A 79 10.105 11.317 -3.553 1.00 0.00 C ATOM 1148 C CYS A 79 10.968 12.554 -3.779 1.00 0.00 C ATOM 1149 O CYS A 79 11.596 13.063 -2.851 1.00 0.00 O ATOM 1150 CB CYS A 79 9.046 11.606 -2.489 1.00 0.00 C ATOM 1151 SG CYS A 79 7.573 12.443 -3.123 1.00 0.00 S ATOM 0 H CYS A 79 11.460 10.322 -2.299 1.00 0.00 H new ATOM 0 HA CYS A 79 9.608 11.067 -4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.746 10.666 -2.026 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.491 12.220 -1.706 1.00 0.00 H new ATOM 0 HG CYS A 79 6.537 11.673 -2.970 1.00 0.00 H new ATOM 1157 N MET A 80 10.994 13.033 -5.018 1.00 0.00 N ATOM 1158 CA MET A 80 11.780 14.211 -5.366 1.00 0.00 C ATOM 1159 C MET A 80 10.919 15.470 -5.327 1.00 0.00 C ATOM 1160 O MET A 80 9.855 15.525 -5.945 1.00 0.00 O ATOM 1161 CB MET A 80 12.400 14.046 -6.755 1.00 0.00 C ATOM 1162 CG MET A 80 13.152 12.737 -6.932 1.00 0.00 C ATOM 1163 SD MET A 80 13.880 12.571 -8.574 1.00 0.00 S ATOM 1164 CE MET A 80 14.080 10.795 -8.677 1.00 0.00 C ATOM 0 H MET A 80 10.480 12.624 -5.798 1.00 0.00 H new ATOM 0 HA MET A 80 12.578 14.314 -4.630 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.612 14.107 -7.506 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.082 14.876 -6.941 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.939 12.670 -6.181 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.471 11.904 -6.755 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.140 10.496 -9.723 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.995 10.501 -8.163 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.227 10.305 -8.208 1.00 0.00 H new ATOM 1174 N CYS A 81 11.385 16.478 -4.599 1.00 0.00 N ATOM 1175 CA CYS A 81 10.657 17.736 -4.479 1.00 0.00 C ATOM 1176 C CYS A 81 11.587 18.926 -4.692 1.00 0.00 C ATOM 1177 O CYS A 81 12.267 19.368 -3.768 1.00 0.00 O ATOM 1178 CB CYS A 81 9.990 17.835 -3.106 1.00 0.00 C ATOM 1179 SG CYS A 81 9.266 19.453 -2.751 1.00 0.00 S ATOM 0 H CYS A 81 12.264 16.449 -4.083 1.00 0.00 H new ATOM 0 HA CYS A 81 9.888 17.756 -5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.210 17.077 -3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.728 17.603 -2.338 1.00 0.00 H new ATOM 0 HG CYS A 81 10.146 20.382 -2.981 1.00 0.00 H new ATOM 1185 N GLY A 82 11.613 19.438 -5.919 1.00 0.00 N ATOM 1186 CA GLY A 82 12.465 20.570 -6.233 1.00 0.00 C ATOM 1187 C GLY A 82 13.918 20.173 -6.401 1.00 0.00 C ATOM 1188 O GLY A 82 14.372 19.918 -7.516 1.00 0.00 O ATOM 0 H GLY A 82 11.059 19.089 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.112 21.043 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.384 21.313 -5.440 1.00 0.00 H new ATOM 1192 N GLN A 83 14.648 20.123 -5.292 1.00 0.00 N ATOM 1193 CA GLN A 83 16.059 19.757 -5.323 1.00 0.00 C ATOM 1194 C GLN A 83 16.345 18.608 -4.362 1.00 0.00 C ATOM 1195 O GLN A 83 17.096 17.689 -4.686 1.00 0.00 O ATOM 1196 CB GLN A 83 16.929 20.964 -4.966 1.00 0.00 C ATOM 1197 CG GLN A 83 18.364 20.845 -5.454 1.00 0.00 C ATOM 1198 CD GLN A 83 19.251 20.092 -4.483 1.00 0.00 C ATOM 1199 OE1 GLN A 83 19.349 20.450 -3.309 1.00 0.00 O ATOM 1200 NE2 GLN A 83 19.902 19.042 -4.968 1.00 0.00 N ATOM 0 H GLN A 83 14.286 20.331 -4.361 1.00 0.00 H new ATOM 0 HA GLN A 83 16.301 19.430 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.482 21.862 -5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.932 21.092 -3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.375 20.337 -6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.773 21.843 -5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.791 18.781 -5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.513 18.496 -4.361 1.00 0.00 H new ATOM 1209 N GLU A 84 15.741 18.668 -3.179 1.00 0.00 N ATOM 1210 CA GLU A 84 15.932 17.632 -2.171 1.00 0.00 C ATOM 1211 C GLU A 84 15.284 16.321 -2.608 1.00 0.00 C ATOM 1212 O GLU A 84 14.597 16.266 -3.628 1.00 0.00 O ATOM 1213 CB GLU A 84 15.347 18.080 -0.830 1.00 0.00 C ATOM 1214 CG GLU A 84 16.318 18.883 0.019 1.00 0.00 C ATOM 1215 CD GLU A 84 17.694 18.250 0.089 1.00 0.00 C ATOM 1216 OE1 GLU A 84 17.770 17.008 0.195 1.00 0.00 O ATOM 1217 OE2 GLU A 84 18.694 18.996 0.037 1.00 0.00 O ATOM 0 H GLU A 84 15.116 19.423 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 84 17.003 17.467 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.456 18.680 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.029 17.201 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.406 19.890 -0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.916 18.983 1.027 1.00 0.00 H new ATOM 1224 N ARG A 85 15.509 15.268 -1.830 1.00 0.00 N ATOM 1225 CA ARG A 85 14.949 13.957 -2.137 1.00 0.00 C ATOM 1226 C ARG A 85 15.009 13.042 -0.917 1.00 0.00 C ATOM 1227 O ARG A 85 15.984 13.053 -0.165 1.00 0.00 O ATOM 1228 CB ARG A 85 15.702 13.319 -3.305 1.00 0.00 C ATOM 1229 CG ARG A 85 15.274 11.890 -3.597 1.00 0.00 C ATOM 1230 CD ARG A 85 16.128 11.265 -4.689 1.00 0.00 C ATOM 1231 NE ARG A 85 16.218 9.814 -4.551 1.00 0.00 N ATOM 1232 CZ ARG A 85 17.099 9.066 -5.206 1.00 0.00 C ATOM 1233 NH1 ARG A 85 17.961 9.630 -6.041 1.00 0.00 N ATOM 1234 NH2 ARG A 85 17.119 7.751 -5.027 1.00 0.00 N ATOM 0 H ARG A 85 16.075 15.297 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 85 13.904 14.091 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.550 13.925 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.770 13.332 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.350 11.293 -2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.227 11.877 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.707 11.511 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.129 11.695 -4.657 1.00 0.00 H new ATOM 0 HE ARG A 85 15.568 9.349 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.949 10.640 -6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.637 9.054 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.457 7.313 -4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.796 7.178 -5.531 1.00 0.00 H new ATOM 1248 N THR A 86 13.959 12.248 -0.727 1.00 0.00 N ATOM 1249 CA THR A 86 13.891 11.328 0.401 1.00 0.00 C ATOM 1250 C THR A 86 13.434 9.944 -0.046 1.00 0.00 C ATOM 1251 O THR A 86 12.789 9.798 -1.084 1.00 0.00 O ATOM 1252 CB THR A 86 12.935 11.845 1.491 1.00 0.00 C ATOM 1253 OG1 THR A 86 13.088 11.070 2.686 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.490 11.778 1.020 1.00 0.00 C ATOM 0 H THR A 86 13.144 12.224 -1.340 1.00 0.00 H new ATOM 0 HA THR A 86 14.897 11.260 0.814 1.00 0.00 H new ATOM 0 HB THR A 86 13.186 12.885 1.698 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.516 11.616 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.833 12.148 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.369 12.392 0.128 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.231 10.745 0.787 1.00 0.00 H new ATOM 1262 N SER A 87 13.771 8.930 0.745 1.00 0.00 N ATOM 1263 CA SER A 87 13.397 7.557 0.429 1.00 0.00 C ATOM 1264 C SER A 87 12.937 6.817 1.681 1.00 0.00 C ATOM 1265 O SER A 87 13.375 7.120 2.791 1.00 0.00 O ATOM 1266 CB SER A 87 14.576 6.819 -0.208 1.00 0.00 C ATOM 1267 OG SER A 87 15.376 7.702 -0.975 1.00 0.00 O ATOM 0 H SER A 87 14.302 9.034 1.609 1.00 0.00 H new ATOM 0 HA SER A 87 12.569 7.586 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.183 6.357 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.205 6.015 -0.843 1.00 0.00 H new ATOM 0 HG SER A 87 16.123 7.206 -1.370 1.00 0.00 H new ATOM 1273 N ALA A 88 12.049 5.846 1.494 1.00 0.00 N ATOM 1274 CA ALA A 88 11.530 5.061 2.608 1.00 0.00 C ATOM 1275 C ALA A 88 11.291 3.613 2.194 1.00 0.00 C ATOM 1276 O ALA A 88 10.499 3.335 1.293 1.00 0.00 O ATOM 1277 CB ALA A 88 10.244 5.680 3.135 1.00 0.00 C ATOM 0 H ALA A 88 11.674 5.584 0.582 1.00 0.00 H new ATOM 0 HA ALA A 88 12.276 5.066 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.867 5.084 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.443 6.696 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.499 5.704 2.339 1.00 0.00 H new ATOM 1283 N THR A 89 11.983 2.691 2.857 1.00 0.00 N ATOM 1284 CA THR A 89 11.847 1.271 2.558 1.00 0.00 C ATOM 1285 C THR A 89 10.531 0.719 3.093 1.00 0.00 C ATOM 1286 O THR A 89 10.307 0.684 4.304 1.00 0.00 O ATOM 1287 CB THR A 89 13.012 0.458 3.153 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.257 0.920 2.616 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.845 -1.025 2.854 1.00 0.00 C ATOM 0 H THR A 89 12.643 2.903 3.605 1.00 0.00 H new ATOM 0 HA THR A 89 11.863 1.174 1.472 1.00 0.00 H new ATOM 0 HB THR A 89 13.009 0.598 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.993 0.399 3.001 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.679 -1.579 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.911 -1.381 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.825 -1.179 1.775 1.00 0.00 H new ATOM 1297 N LEU A 90 9.663 0.287 2.185 1.00 0.00 N ATOM 1298 CA LEU A 90 8.368 -0.265 2.567 1.00 0.00 C ATOM 1299 C LEU A 90 8.451 -1.778 2.741 1.00 0.00 C ATOM 1300 O LEU A 90 9.110 -2.468 1.964 1.00 0.00 O ATOM 1301 CB LEU A 90 7.313 0.082 1.514 1.00 0.00 C ATOM 1302 CG LEU A 90 5.965 -0.625 1.656 1.00 0.00 C ATOM 1303 CD1 LEU A 90 5.147 0.005 2.773 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.199 -0.583 0.342 1.00 0.00 C ATOM 0 H LEU A 90 9.832 0.308 1.179 1.00 0.00 H new ATOM 0 HA LEU A 90 8.079 0.176 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.141 1.158 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.721 -0.150 0.530 1.00 0.00 H new ATOM 0 HG LEU A 90 6.149 -1.668 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.191 -0.511 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.691 -0.079 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.972 1.057 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.242 -1.091 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.026 0.454 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.780 -1.082 -0.434 1.00 0.00 H new ATOM 1316 N THR A 91 7.775 -2.288 3.766 1.00 0.00 N ATOM 1317 CA THR A 91 7.771 -3.719 4.042 1.00 0.00 C ATOM 1318 C THR A 91 6.398 -4.326 3.779 1.00 0.00 C ATOM 1319 O THR A 91 5.371 -3.705 4.051 1.00 0.00 O ATOM 1320 CB THR A 91 8.179 -4.012 5.498 1.00 0.00 C ATOM 1321 OG1 THR A 91 9.489 -3.494 5.754 1.00 0.00 O ATOM 1322 CG2 THR A 91 8.156 -5.507 5.777 1.00 0.00 C ATOM 0 H THR A 91 7.223 -1.731 4.419 1.00 0.00 H new ATOM 0 HA THR A 91 8.500 -4.172 3.370 1.00 0.00 H new ATOM 0 HB THR A 91 7.461 -3.525 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.740 -3.683 6.682 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.448 -5.689 6.811 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.150 -5.893 5.611 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.854 -6.013 5.109 1.00 0.00 H new ATOM 1330 N VAL A 92 6.386 -5.545 3.248 1.00 0.00 N ATOM 1331 CA VAL A 92 5.138 -6.237 2.950 1.00 0.00 C ATOM 1332 C VAL A 92 5.184 -7.684 3.428 1.00 0.00 C ATOM 1333 O VAL A 92 6.065 -8.450 3.037 1.00 0.00 O ATOM 1334 CB VAL A 92 4.831 -6.216 1.441 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.492 -6.879 1.159 1.00 0.00 C ATOM 1336 CG2 VAL A 92 4.851 -4.790 0.913 1.00 0.00 C ATOM 0 H VAL A 92 7.227 -6.073 3.015 1.00 0.00 H new ATOM 0 HA VAL A 92 4.348 -5.707 3.481 1.00 0.00 H new ATOM 0 HB VAL A 92 5.605 -6.782 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.292 -6.855 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.520 -7.914 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.703 -6.344 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.632 -4.794 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.099 -4.198 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.836 -4.354 1.080 1.00 0.00 H new ATOM 1346 N ARG A 93 4.230 -8.052 4.277 1.00 0.00 N ATOM 1347 CA ARG A 93 4.162 -9.407 4.809 1.00 0.00 C ATOM 1348 C ARG A 93 3.360 -10.316 3.882 1.00 0.00 C ATOM 1349 O ARG A 93 2.219 -10.013 3.535 1.00 0.00 O ATOM 1350 CB ARG A 93 3.532 -9.399 6.204 1.00 0.00 C ATOM 1351 CG ARG A 93 4.528 -9.135 7.321 1.00 0.00 C ATOM 1352 CD ARG A 93 5.263 -10.404 7.723 1.00 0.00 C ATOM 1353 NE ARG A 93 4.429 -11.285 8.536 1.00 0.00 N ATOM 1354 CZ ARG A 93 4.764 -12.532 8.848 1.00 0.00 C ATOM 1355 NH1 ARG A 93 5.910 -13.042 8.418 1.00 0.00 N ATOM 1356 NH2 ARG A 93 3.951 -13.272 9.591 1.00 0.00 N ATOM 0 H ARG A 93 3.494 -7.430 4.611 1.00 0.00 H new ATOM 0 HA ARG A 93 5.178 -9.794 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.752 -8.638 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.048 -10.359 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.248 -8.383 6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.006 -8.726 8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.586 -10.935 6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.163 -10.141 8.279 1.00 0.00 H new ATOM 0 HE ARG A 93 3.541 -10.923 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.537 -12.476 7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.164 -14.000 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.068 -12.883 9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.209 -14.229 9.830 1.00 0.00 H new ATOM 1370 N ALA A 94 3.965 -11.431 3.486 1.00 0.00 N ATOM 1371 CA ALA A 94 3.307 -12.384 2.601 1.00 0.00 C ATOM 1372 C ALA A 94 2.267 -13.206 3.355 1.00 0.00 C ATOM 1373 O ALA A 94 2.535 -13.717 4.444 1.00 0.00 O ATOM 1374 CB ALA A 94 4.336 -13.298 1.952 1.00 0.00 C ATOM 0 H ALA A 94 4.910 -11.696 3.764 1.00 0.00 H new ATOM 0 HA ALA A 94 2.792 -11.823 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.831 -14.005 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.039 -12.700 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.876 -13.845 2.725 1.00 0.00 H new ATOM 1380 N LEU A 95 1.081 -13.330 2.771 1.00 0.00 N ATOM 1381 CA LEU A 95 -0.001 -14.090 3.388 1.00 0.00 C ATOM 1382 C LEU A 95 0.523 -15.387 3.995 1.00 0.00 C ATOM 1383 O LEU A 95 1.531 -15.944 3.558 1.00 0.00 O ATOM 1384 CB LEU A 95 -1.087 -14.398 2.357 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.830 -13.191 1.784 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.254 -13.570 1.406 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.830 -12.041 2.781 1.00 0.00 C ATOM 0 H LEU A 95 0.843 -12.914 1.870 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.429 -13.484 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.631 -14.945 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.817 -15.065 2.816 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.311 -12.865 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.767 -12.698 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.233 -14.361 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.784 -13.923 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.363 -11.191 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.324 -12.356 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.803 -11.751 3.002 1.00 0.00 H new ATOM 1399 N PRO A 96 -0.177 -15.884 5.026 1.00 0.00 N ATOM 1400 CA PRO A 96 0.197 -17.123 5.713 1.00 0.00 C ATOM 1401 C PRO A 96 -0.021 -18.357 4.844 1.00 0.00 C ATOM 1402 O PRO A 96 -1.156 -18.707 4.521 1.00 0.00 O ATOM 1403 CB PRO A 96 -0.736 -17.152 6.926 1.00 0.00 C ATOM 1404 CG PRO A 96 -1.917 -16.343 6.515 1.00 0.00 C ATOM 1405 CD PRO A 96 -1.388 -15.273 5.600 1.00 0.00 C ATOM 0 HA PRO A 96 1.256 -17.141 5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.024 -18.172 7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.253 -16.729 7.807 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.656 -16.962 6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.411 -15.905 7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.111 -15.011 4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.157 -14.357 6.144 1.00 0.00 H new ATOM 1413 N ALA A 97 1.073 -19.012 4.468 1.00 0.00 N ATOM 1414 CA ALA A 97 1.000 -20.208 3.638 1.00 0.00 C ATOM 1415 C ALA A 97 -0.180 -21.085 4.042 1.00 0.00 C ATOM 1416 O ALA A 97 -0.646 -21.030 5.181 1.00 0.00 O ATOM 1417 CB ALA A 97 2.299 -20.993 3.729 1.00 0.00 C ATOM 0 H ALA A 97 2.020 -18.734 4.725 1.00 0.00 H new ATOM 0 HA ALA A 97 0.849 -19.895 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.230 -21.884 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.125 -20.371 3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.474 -21.288 4.764 1.00 0.00 H new ATOM 1423 N ARG A 98 -0.660 -21.893 3.103 1.00 0.00 N ATOM 1424 CA ARG A 98 -1.787 -22.781 3.361 1.00 0.00 C ATOM 1425 C ARG A 98 -1.722 -24.017 2.468 1.00 0.00 C ATOM 1426 O ARG A 98 -1.639 -23.908 1.245 1.00 0.00 O ATOM 1427 CB ARG A 98 -3.108 -22.043 3.132 1.00 0.00 C ATOM 1428 CG ARG A 98 -3.385 -21.729 1.671 1.00 0.00 C ATOM 1429 CD ARG A 98 -4.455 -20.659 1.525 1.00 0.00 C ATOM 1430 NE ARG A 98 -5.800 -21.228 1.512 1.00 0.00 N ATOM 1431 CZ ARG A 98 -6.480 -21.530 2.613 1.00 0.00 C ATOM 1432 NH1 ARG A 98 -5.944 -21.318 3.807 1.00 0.00 N ATOM 1433 NH2 ARG A 98 -7.700 -22.045 2.520 1.00 0.00 N ATOM 0 H ARG A 98 -0.286 -21.951 2.156 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.733 -23.102 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.925 -22.647 3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.097 -21.112 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.466 -21.395 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.703 -22.636 1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.370 -19.947 2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.288 -20.103 0.603 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.241 -21.403 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.007 -20.922 3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.469 -21.551 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.116 -22.209 1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.222 -22.277 3.365 1.00 0.00 H new ATOM 1447 N PHE A 99 -1.759 -25.191 3.089 1.00 0.00 N ATOM 1448 CA PHE A 99 -1.702 -26.448 2.351 1.00 0.00 C ATOM 1449 C PHE A 99 -3.084 -26.839 1.836 1.00 0.00 C ATOM 1450 O PHE A 99 -3.274 -27.056 0.638 1.00 0.00 O ATOM 1451 CB PHE A 99 -1.143 -27.561 3.241 1.00 0.00 C ATOM 1452 CG PHE A 99 -0.414 -28.629 2.477 1.00 0.00 C ATOM 1453 CD1 PHE A 99 0.848 -28.389 1.958 1.00 0.00 C ATOM 1454 CD2 PHE A 99 -0.991 -29.873 2.278 1.00 0.00 C ATOM 1455 CE1 PHE A 99 1.522 -29.370 1.256 1.00 0.00 C ATOM 1456 CE2 PHE A 99 -0.322 -30.858 1.576 1.00 0.00 C ATOM 1457 CZ PHE A 99 0.936 -30.606 1.064 1.00 0.00 C ATOM 0 H PHE A 99 -1.828 -25.299 4.101 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.041 -26.309 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.466 -27.123 3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.962 -28.018 3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.310 -27.424 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.974 -30.075 2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.506 -29.171 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.782 -31.824 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.460 -31.374 0.515 1.00 0.00 H new ATOM 1467 N THR A 100 -4.046 -26.926 2.748 1.00 0.00 N ATOM 1468 CA THR A 100 -5.410 -27.292 2.387 1.00 0.00 C ATOM 1469 C THR A 100 -6.426 -26.464 3.166 1.00 0.00 C ATOM 1470 O THR A 100 -6.065 -25.721 4.078 1.00 0.00 O ATOM 1471 CB THR A 100 -5.678 -28.787 2.645 1.00 0.00 C ATOM 1472 OG1 THR A 100 -7.086 -29.022 2.750 1.00 0.00 O ATOM 1473 CG2 THR A 100 -4.985 -29.249 3.919 1.00 0.00 C ATOM 0 H THR A 100 -3.906 -26.748 3.743 1.00 0.00 H new ATOM 0 HA THR A 100 -5.520 -27.089 1.322 1.00 0.00 H new ATOM 0 HB THR A 100 -5.277 -29.355 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.247 -29.975 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.189 -30.308 4.081 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.910 -29.097 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.360 -28.674 4.766 1.00 0.00 H new ATOM 1481 N GLU A 101 -7.697 -26.598 2.800 1.00 0.00 N ATOM 1482 CA GLU A 101 -8.765 -25.861 3.465 1.00 0.00 C ATOM 1483 C GLU A 101 -9.180 -26.555 4.759 1.00 0.00 C ATOM 1484 O GLU A 101 -10.017 -27.457 4.751 1.00 0.00 O ATOM 1485 CB GLU A 101 -9.973 -25.721 2.538 1.00 0.00 C ATOM 1486 CG GLU A 101 -10.820 -24.492 2.823 1.00 0.00 C ATOM 1487 CD GLU A 101 -12.265 -24.669 2.399 1.00 0.00 C ATOM 1488 OE1 GLU A 101 -12.937 -25.570 2.943 1.00 0.00 O ATOM 1489 OE2 GLU A 101 -12.725 -23.906 1.523 1.00 0.00 O ATOM 0 H GLU A 101 -8.012 -27.210 2.047 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.388 -24.868 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.625 -25.681 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.596 -26.611 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.783 -24.269 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.395 -23.634 2.303 1.00 0.00 H new ATOM 1496 N GLY A 102 -8.588 -26.128 5.870 1.00 0.00 N ATOM 1497 CA GLY A 102 -8.908 -26.719 7.156 1.00 0.00 C ATOM 1498 C GLY A 102 -10.309 -26.372 7.621 1.00 0.00 C ATOM 1499 O GLY A 102 -11.282 -26.596 6.901 1.00 0.00 O ATOM 0 H GLY A 102 -7.892 -25.383 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.808 -27.802 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.187 -26.378 7.899 1.00 0.00 H new ATOM 1503 N SER A 103 -10.413 -25.826 8.828 1.00 0.00 N ATOM 1504 CA SER A 103 -11.705 -25.453 9.390 1.00 0.00 C ATOM 1505 C SER A 103 -11.569 -24.243 10.309 1.00 0.00 C ATOM 1506 O SER A 103 -10.582 -24.103 11.029 1.00 0.00 O ATOM 1507 CB SER A 103 -12.308 -26.628 10.162 1.00 0.00 C ATOM 1508 OG SER A 103 -11.384 -27.148 11.102 1.00 0.00 O ATOM 0 H SER A 103 -9.617 -25.632 9.436 1.00 0.00 H new ATOM 0 HA SER A 103 -12.369 -25.190 8.566 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.212 -26.303 10.677 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.603 -27.412 9.465 1.00 0.00 H new ATOM 0 HG SER A 103 -11.794 -27.897 11.584 1.00 0.00 H new ATOM 1514 N GLY A 104 -12.571 -23.369 10.278 1.00 0.00 N ATOM 1515 CA GLY A 104 -12.545 -22.181 11.112 1.00 0.00 C ATOM 1516 C GLY A 104 -12.119 -22.481 12.535 1.00 0.00 C ATOM 1517 O GLY A 104 -12.049 -23.636 12.954 1.00 0.00 O ATOM 0 H GLY A 104 -13.400 -23.462 9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.862 -21.451 10.678 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.535 -21.725 11.121 1.00 0.00 H new ATOM 1521 N PRO A 105 -11.823 -21.422 13.304 1.00 0.00 N ATOM 1522 CA PRO A 105 -11.396 -21.553 14.700 1.00 0.00 C ATOM 1523 C PRO A 105 -12.525 -22.023 15.611 1.00 0.00 C ATOM 1524 O PRO A 105 -13.699 -21.775 15.338 1.00 0.00 O ATOM 1525 CB PRO A 105 -10.964 -20.132 15.073 1.00 0.00 C ATOM 1526 CG PRO A 105 -11.735 -19.249 14.154 1.00 0.00 C ATOM 1527 CD PRO A 105 -11.885 -20.017 12.870 1.00 0.00 C ATOM 0 HA PRO A 105 -10.609 -22.298 14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.189 -19.911 16.116 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.890 -19.998 14.943 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -12.709 -19.001 14.577 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -11.211 -18.308 13.987 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -12.829 -19.791 12.374 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -11.089 -19.779 12.164 1.00 0.00 H new ATOM 1535 N SER A 106 -12.161 -22.701 16.694 1.00 0.00 N ATOM 1536 CA SER A 106 -13.144 -23.209 17.644 1.00 0.00 C ATOM 1537 C SER A 106 -13.979 -22.070 18.223 1.00 0.00 C ATOM 1538 O SER A 106 -13.554 -20.915 18.228 1.00 0.00 O ATOM 1539 CB SER A 106 -12.448 -23.971 18.773 1.00 0.00 C ATOM 1540 OG SER A 106 -11.613 -24.994 18.259 1.00 0.00 O ATOM 0 H SER A 106 -11.193 -22.911 16.936 1.00 0.00 H new ATOM 0 HA SER A 106 -13.808 -23.890 17.112 1.00 0.00 H new ATOM 0 HB2 SER A 106 -11.855 -23.279 19.371 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.195 -24.406 19.437 1.00 0.00 H new ATOM 0 HG SER A 106 -11.178 -25.465 19.000 1.00 0.00 H new ATOM 1546 N SER A 107 -15.169 -22.406 18.710 1.00 0.00 N ATOM 1547 CA SER A 107 -16.066 -21.412 19.288 1.00 0.00 C ATOM 1548 C SER A 107 -15.899 -21.345 20.803 1.00 0.00 C ATOM 1549 O SER A 107 -15.405 -22.284 21.426 1.00 0.00 O ATOM 1550 CB SER A 107 -17.519 -21.740 18.938 1.00 0.00 C ATOM 1551 OG SER A 107 -18.012 -22.795 19.745 1.00 0.00 O ATOM 0 H SER A 107 -15.534 -23.358 18.716 1.00 0.00 H new ATOM 0 HA SER A 107 -15.809 -20.439 18.868 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.138 -20.853 19.075 1.00 0.00 H new ATOM 0 HB3 SER A 107 -17.589 -22.019 17.887 1.00 0.00 H new ATOM 0 HG SER A 107 -18.943 -22.984 19.503 1.00 0.00 H new ATOM 1557 N GLY A 108 -16.314 -20.226 21.389 1.00 0.00 N ATOM 1558 CA GLY A 108 -16.202 -20.056 22.826 1.00 0.00 C ATOM 1559 C GLY A 108 -17.520 -20.276 23.541 1.00 0.00 C ATOM 1560 O GLY A 108 -17.545 -20.707 24.693 1.00 0.00 O ATOM 0 H GLY A 108 -16.726 -19.435 20.894 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -15.461 -20.754 23.215 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.838 -19.052 23.043 1.00 0.00 H new TER 1564 GLY A 108