USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 466 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 53 GLN : amide:sc= -2.13! X(o=-4.9!,f=-5.1) USER MOD Set 1.2: A 57 ASN : amide:sc= -2.76! C(o=-4.9!,f=-5.1!) USER MOD Set 2.1: A 26 GLN : amide:sc= 0.122 K(o=-1.9,f=-3.3) USER MOD Set 2.2: A 34 MET CE :methyl 179:sc= -2.01! (180deg=-1.92!) 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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.594 K(o=-0.59,f=-2.3!) USER MOD Single : A 18 GLN : amide:sc= -3.02! K(o=-3!,f=-2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= -0.864 (180deg=-1.4) USER MOD Single : A 24 GLN : amide:sc= -4.12! C(o=-4.1!,f=-2.7!) USER MOD Single : A 29 THR OG1 : rot -93:sc= 0.934 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.468 K(o=-0.47,f=-2.1!) USER MOD Single : A 37 CYS SG : rot -66:sc= -1.16 USER MOD Single : A 39 HIS : no HD1:sc= -0.0966 X(o=-0.097,f=-0.019) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.3!) USER MOD Single : A 44 HIS : no HD1:sc= -8.18! C(o=-8.2!,f=-15!) USER MOD Single : A 45 ASN : amide:sc= -3.29! C(o=-3.3!,f=-3.8!) USER MOD Single : A 47 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.1!) USER MOD Single : A 59 GLN : amide:sc= -0.241 K(o=-0.24,f=-2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.324 9.901 19.073 1.00 0.00 N ATOM 2 CA GLY A 1 19.625 11.165 19.234 1.00 0.00 C ATOM 3 C GLY A 1 20.081 12.182 18.186 1.00 0.00 C ATOM 4 O GLY A 1 21.005 12.957 18.428 1.00 0.00 O ATOM 0 H1 GLY A 1 19.997 9.229 19.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.129 9.515 18.127 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.347 10.054 19.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.551 11.004 19.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.807 11.561 20.233 1.00 0.00 H new ATOM 8 N SER A 2 19.413 12.145 17.042 1.00 0.00 N ATOM 9 CA SER A 2 19.738 13.053 15.956 1.00 0.00 C ATOM 10 C SER A 2 18.468 13.741 15.451 1.00 0.00 C ATOM 11 O SER A 2 17.359 13.289 15.732 1.00 0.00 O ATOM 12 CB SER A 2 20.432 12.315 14.810 1.00 0.00 C ATOM 13 OG SER A 2 21.619 12.981 14.386 1.00 0.00 O ATOM 0 H SER A 2 18.648 11.500 16.844 1.00 0.00 H new ATOM 0 HA SER A 2 20.426 13.808 16.336 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.679 11.302 15.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.746 12.226 13.968 1.00 0.00 H new ATOM 0 HG SER A 2 22.033 12.477 13.654 1.00 0.00 H new ATOM 19 N SER A 3 18.673 14.824 14.716 1.00 0.00 N ATOM 20 CA SER A 3 17.558 15.579 14.169 1.00 0.00 C ATOM 21 C SER A 3 17.427 15.308 12.670 1.00 0.00 C ATOM 22 O SER A 3 16.386 14.841 12.208 1.00 0.00 O ATOM 23 CB SER A 3 17.731 17.078 14.424 1.00 0.00 C ATOM 24 OG SER A 3 16.840 17.555 15.429 1.00 0.00 O ATOM 0 H SER A 3 19.594 15.197 14.486 1.00 0.00 H new ATOM 0 HA SER A 3 16.646 15.255 14.671 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.759 17.278 14.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.559 17.626 13.497 1.00 0.00 H new ATOM 0 HG SER A 3 16.983 18.515 15.564 1.00 0.00 H new ATOM 30 N GLY A 4 18.497 15.611 11.950 1.00 0.00 N ATOM 31 CA GLY A 4 18.514 15.405 10.511 1.00 0.00 C ATOM 32 C GLY A 4 17.286 16.035 9.852 1.00 0.00 C ATOM 33 O GLY A 4 16.440 15.330 9.305 1.00 0.00 O ATOM 0 H GLY A 4 19.358 15.998 12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.420 15.839 10.089 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.540 14.337 10.293 1.00 0.00 H new ATOM 37 N SER A 5 17.226 17.357 9.927 1.00 0.00 N ATOM 38 CA SER A 5 16.116 18.090 9.344 1.00 0.00 C ATOM 39 C SER A 5 16.363 19.596 9.462 1.00 0.00 C ATOM 40 O SER A 5 17.147 20.036 10.302 1.00 0.00 O ATOM 41 CB SER A 5 14.794 17.716 10.019 1.00 0.00 C ATOM 42 OG SER A 5 13.667 18.184 9.283 1.00 0.00 O ATOM 0 H SER A 5 17.929 17.939 10.383 1.00 0.00 H new ATOM 0 HA SER A 5 16.045 17.821 8.290 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.734 16.633 10.123 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.769 18.135 11.025 1.00 0.00 H new ATOM 0 HG SER A 5 12.843 17.924 9.746 1.00 0.00 H new ATOM 48 N SER A 6 15.680 20.344 8.608 1.00 0.00 N ATOM 49 CA SER A 6 15.816 21.790 8.605 1.00 0.00 C ATOM 50 C SER A 6 14.638 22.425 7.864 1.00 0.00 C ATOM 51 O SER A 6 13.891 23.214 8.440 1.00 0.00 O ATOM 52 CB SER A 6 17.139 22.218 7.966 1.00 0.00 C ATOM 53 OG SER A 6 17.456 23.577 8.254 1.00 0.00 O ATOM 0 H SER A 6 15.031 19.975 7.913 1.00 0.00 H new ATOM 0 HA SER A 6 15.815 22.136 9.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.941 21.574 8.327 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.081 22.080 6.886 1.00 0.00 H new ATOM 0 HG SER A 6 18.308 23.811 7.830 1.00 0.00 H new ATOM 59 N GLY A 7 14.510 22.058 6.597 1.00 0.00 N ATOM 60 CA GLY A 7 13.436 22.582 5.771 1.00 0.00 C ATOM 61 C GLY A 7 13.555 22.076 4.332 1.00 0.00 C ATOM 62 O GLY A 7 14.186 22.719 3.495 1.00 0.00 O ATOM 0 H GLY A 7 15.133 21.404 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.474 22.284 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.463 23.672 5.781 1.00 0.00 H new ATOM 66 N ALA A 8 12.937 20.929 4.089 1.00 0.00 N ATOM 67 CA ALA A 8 12.966 20.330 2.765 1.00 0.00 C ATOM 68 C ALA A 8 11.622 19.653 2.488 1.00 0.00 C ATOM 69 O ALA A 8 11.422 18.494 2.846 1.00 0.00 O ATOM 70 CB ALA A 8 14.141 19.355 2.672 1.00 0.00 C ATOM 0 H ALA A 8 12.414 20.399 4.786 1.00 0.00 H new ATOM 0 HA ALA A 8 13.115 21.093 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.163 18.906 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.073 19.891 2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.025 18.573 3.422 1.00 0.00 H new ATOM 76 N PRO A 9 10.713 20.426 1.835 1.00 0.00 N ATOM 77 CA PRO A 9 9.394 19.913 1.505 1.00 0.00 C ATOM 78 C PRO A 9 9.464 18.939 0.327 1.00 0.00 C ATOM 79 O PRO A 9 8.905 19.204 -0.736 1.00 0.00 O ATOM 80 CB PRO A 9 8.556 21.145 1.208 1.00 0.00 C ATOM 81 CG PRO A 9 9.545 22.265 0.929 1.00 0.00 C ATOM 82 CD PRO A 9 10.916 21.803 1.395 1.00 0.00 C ATOM 0 HA PRO A 9 8.953 19.334 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.905 20.977 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.913 21.393 2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.563 22.502 -0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.250 23.174 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.647 21.857 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.289 22.427 2.207 1.00 0.00 H new ATOM 90 N GLU A 10 10.154 17.831 0.557 1.00 0.00 N ATOM 91 CA GLU A 10 10.303 16.816 -0.472 1.00 0.00 C ATOM 92 C GLU A 10 9.175 15.788 -0.372 1.00 0.00 C ATOM 93 O GLU A 10 8.961 15.196 0.686 1.00 0.00 O ATOM 94 CB GLU A 10 11.672 16.139 -0.379 1.00 0.00 C ATOM 95 CG GLU A 10 12.707 16.875 -1.231 1.00 0.00 C ATOM 96 CD GLU A 10 13.568 15.889 -2.023 1.00 0.00 C ATOM 97 OE1 GLU A 10 13.766 14.767 -1.507 1.00 0.00 O ATOM 98 OE2 GLU A 10 14.009 16.278 -3.126 1.00 0.00 O ATOM 0 H GLU A 10 10.616 17.614 1.440 1.00 0.00 H new ATOM 0 HA GLU A 10 10.239 17.302 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.001 16.117 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.593 15.104 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.201 17.554 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.343 17.485 -0.590 1.00 0.00 H new ATOM 105 N GLU A 11 8.481 15.606 -1.486 1.00 0.00 N ATOM 106 CA GLU A 11 7.380 14.660 -1.537 1.00 0.00 C ATOM 107 C GLU A 11 7.729 13.397 -0.748 1.00 0.00 C ATOM 108 O GLU A 11 8.900 13.037 -0.631 1.00 0.00 O ATOM 109 CB GLU A 11 7.015 14.320 -2.983 1.00 0.00 C ATOM 110 CG GLU A 11 5.525 14.000 -3.112 1.00 0.00 C ATOM 111 CD GLU A 11 4.883 14.818 -4.235 1.00 0.00 C ATOM 112 OE1 GLU A 11 4.836 16.057 -4.078 1.00 0.00 O ATOM 113 OE2 GLU A 11 4.456 14.186 -5.225 1.00 0.00 O ATOM 0 H GLU A 11 8.660 16.098 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 11 6.507 15.123 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.268 15.158 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.604 13.467 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.394 12.936 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.021 14.212 -2.169 1.00 0.00 H new ATOM 120 N ARG A 12 6.692 12.758 -0.226 1.00 0.00 N ATOM 121 CA ARG A 12 6.875 11.542 0.549 1.00 0.00 C ATOM 122 C ARG A 12 7.694 11.833 1.808 1.00 0.00 C ATOM 123 O ARG A 12 8.879 12.152 1.722 1.00 0.00 O ATOM 124 CB ARG A 12 7.584 10.465 -0.275 1.00 0.00 C ATOM 125 CG ARG A 12 7.027 9.076 0.043 1.00 0.00 C ATOM 126 CD ARG A 12 7.868 8.382 1.117 1.00 0.00 C ATOM 127 NE ARG A 12 8.136 6.981 0.722 1.00 0.00 N ATOM 128 CZ ARG A 12 9.145 6.605 -0.075 1.00 0.00 C ATOM 129 NH1 ARG A 12 9.988 7.523 -0.567 1.00 0.00 N ATOM 130 NH2 ARG A 12 9.312 5.311 -0.380 1.00 0.00 N ATOM 0 H ARG A 12 5.722 13.059 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 12 5.887 11.177 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.461 10.675 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.654 10.488 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.995 9.163 0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.014 8.469 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.808 8.916 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.344 8.405 2.073 1.00 0.00 H new ATOM 0 HE ARG A 12 7.513 6.256 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.861 8.508 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.756 7.237 -1.174 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.671 4.612 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.080 5.025 -0.987 1.00 0.00 H new ATOM 144 N ASP A 13 7.030 11.712 2.948 1.00 0.00 N ATOM 145 CA ASP A 13 7.682 11.958 4.223 1.00 0.00 C ATOM 146 C ASP A 13 7.167 10.955 5.257 1.00 0.00 C ATOM 147 O ASP A 13 7.329 11.158 6.459 1.00 0.00 O ATOM 148 CB ASP A 13 7.375 13.366 4.736 1.00 0.00 C ATOM 149 CG ASP A 13 8.522 14.370 4.599 1.00 0.00 C ATOM 150 OD1 ASP A 13 9.449 14.290 5.434 1.00 0.00 O ATOM 151 OD2 ASP A 13 8.446 15.194 3.662 1.00 0.00 O ATOM 0 H ASP A 13 6.047 11.447 3.015 1.00 0.00 H new ATOM 0 HA ASP A 13 8.757 11.854 4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.509 13.751 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.094 13.300 5.787 1.00 0.00 H new ATOM 156 N LEU A 14 6.555 9.894 4.751 1.00 0.00 N ATOM 157 CA LEU A 14 6.014 8.859 5.615 1.00 0.00 C ATOM 158 C LEU A 14 6.980 8.614 6.776 1.00 0.00 C ATOM 159 O LEU A 14 8.181 8.849 6.650 1.00 0.00 O ATOM 160 CB LEU A 14 5.693 7.600 4.807 1.00 0.00 C ATOM 161 CG LEU A 14 4.835 7.806 3.557 1.00 0.00 C ATOM 162 CD1 LEU A 14 4.540 6.472 2.869 1.00 0.00 C ATOM 163 CD2 LEU A 14 3.554 8.574 3.892 1.00 0.00 C ATOM 0 H LEU A 14 6.422 9.729 3.753 1.00 0.00 H new ATOM 0 HA LEU A 14 5.068 9.181 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.632 7.136 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.183 6.893 5.461 1.00 0.00 H new ATOM 0 HG LEU A 14 5.400 8.414 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.929 6.647 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.477 5.999 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.004 5.819 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.962 8.707 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.974 8.013 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.812 9.550 4.303 1.00 0.00 H new ATOM 175 N THR A 15 6.420 8.146 7.882 1.00 0.00 N ATOM 176 CA THR A 15 7.216 7.867 9.065 1.00 0.00 C ATOM 177 C THR A 15 7.593 6.385 9.116 1.00 0.00 C ATOM 178 O THR A 15 6.951 5.555 8.475 1.00 0.00 O ATOM 179 CB THR A 15 6.426 8.336 10.288 1.00 0.00 C ATOM 180 OG1 THR A 15 5.435 7.329 10.469 1.00 0.00 O ATOM 181 CG2 THR A 15 5.620 9.607 10.012 1.00 0.00 C ATOM 0 H THR A 15 5.424 7.953 7.984 1.00 0.00 H new ATOM 0 HA THR A 15 8.161 8.410 9.043 1.00 0.00 H new ATOM 0 HB THR A 15 7.112 8.514 11.116 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.878 7.553 11.244 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.078 9.897 10.912 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.296 10.411 9.721 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.911 9.420 9.206 1.00 0.00 H new ATOM 189 N GLN A 16 8.632 6.099 9.887 1.00 0.00 N ATOM 190 CA GLN A 16 9.102 4.731 10.031 1.00 0.00 C ATOM 191 C GLN A 16 7.917 3.765 10.082 1.00 0.00 C ATOM 192 O GLN A 16 7.823 2.849 9.268 1.00 0.00 O ATOM 193 CB GLN A 16 9.985 4.583 11.271 1.00 0.00 C ATOM 194 CG GLN A 16 11.422 5.020 10.977 1.00 0.00 C ATOM 195 CD GLN A 16 11.499 6.530 10.745 1.00 0.00 C ATOM 196 OE1 GLN A 16 10.900 7.324 11.452 1.00 0.00 O ATOM 197 NE2 GLN A 16 12.268 6.881 9.719 1.00 0.00 N ATOM 0 H GLN A 16 9.161 6.790 10.418 1.00 0.00 H new ATOM 0 HA GLN A 16 9.710 4.482 9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.578 5.183 12.085 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.978 3.545 11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.068 4.743 11.810 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.793 4.494 10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.741 6.165 9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.385 7.866 9.483 1.00 0.00 H new ATOM 206 N GLU A 17 7.042 4.004 11.049 1.00 0.00 N ATOM 207 CA GLU A 17 5.867 3.166 11.217 1.00 0.00 C ATOM 208 C GLU A 17 5.195 2.916 9.866 1.00 0.00 C ATOM 209 O GLU A 17 5.067 1.771 9.435 1.00 0.00 O ATOM 210 CB GLU A 17 4.886 3.792 12.210 1.00 0.00 C ATOM 211 CG GLU A 17 4.772 2.942 13.478 1.00 0.00 C ATOM 212 CD GLU A 17 3.455 2.162 13.498 1.00 0.00 C ATOM 213 OE1 GLU A 17 2.399 2.831 13.502 1.00 0.00 O ATOM 214 OE2 GLU A 17 3.535 0.915 13.509 1.00 0.00 O ATOM 0 H GLU A 17 7.124 4.765 11.723 1.00 0.00 H new ATOM 0 HA GLU A 17 6.184 2.206 11.625 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.218 4.797 12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.905 3.891 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.611 2.248 13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.832 3.584 14.357 1.00 0.00 H new ATOM 221 N GLN A 18 4.784 4.006 9.235 1.00 0.00 N ATOM 222 CA GLN A 18 4.128 3.919 7.941 1.00 0.00 C ATOM 223 C GLN A 18 5.043 3.229 6.927 1.00 0.00 C ATOM 224 O GLN A 18 4.688 2.191 6.371 1.00 0.00 O ATOM 225 CB GLN A 18 3.707 5.304 7.446 1.00 0.00 C ATOM 226 CG GLN A 18 2.426 5.769 8.141 1.00 0.00 C ATOM 227 CD GLN A 18 1.911 7.073 7.527 1.00 0.00 C ATOM 228 OE1 GLN A 18 2.641 8.033 7.344 1.00 0.00 O ATOM 229 NE2 GLN A 18 0.617 7.053 7.221 1.00 0.00 N ATOM 0 H GLN A 18 4.892 4.954 9.595 1.00 0.00 H new ATOM 0 HA GLN A 18 3.225 3.319 8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.507 6.020 7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.550 5.277 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.662 4.997 8.057 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.617 5.914 9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.063 6.215 7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.178 7.875 6.806 1.00 0.00 H new ATOM 238 N THR A 19 6.203 3.834 6.718 1.00 0.00 N ATOM 239 CA THR A 19 7.172 3.291 5.781 1.00 0.00 C ATOM 240 C THR A 19 7.263 1.770 5.929 1.00 0.00 C ATOM 241 O THR A 19 6.990 1.034 4.982 1.00 0.00 O ATOM 242 CB THR A 19 8.506 4.004 6.013 1.00 0.00 C ATOM 243 OG1 THR A 19 8.285 5.322 5.517 1.00 0.00 O ATOM 244 CG2 THR A 19 9.625 3.455 5.126 1.00 0.00 C ATOM 0 H THR A 19 6.494 4.695 7.181 1.00 0.00 H new ATOM 0 HA THR A 19 6.867 3.469 4.750 1.00 0.00 H new ATOM 0 HB THR A 19 8.793 3.907 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.100 5.855 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.549 3.995 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.770 2.395 5.337 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.354 3.583 4.078 1.00 0.00 H new ATOM 252 N GLU A 20 7.646 1.346 7.124 1.00 0.00 N ATOM 253 CA GLU A 20 7.776 -0.073 7.408 1.00 0.00 C ATOM 254 C GLU A 20 6.526 -0.824 6.944 1.00 0.00 C ATOM 255 O GLU A 20 6.610 -1.710 6.094 1.00 0.00 O ATOM 256 CB GLU A 20 8.038 -0.313 8.896 1.00 0.00 C ATOM 257 CG GLU A 20 9.295 -1.160 9.102 1.00 0.00 C ATOM 258 CD GLU A 20 9.354 -1.717 10.526 1.00 0.00 C ATOM 259 OE1 GLU A 20 8.293 -2.177 11.000 1.00 0.00 O ATOM 260 OE2 GLU A 20 10.459 -1.670 11.108 1.00 0.00 O ATOM 0 H GLU A 20 7.871 1.960 7.907 1.00 0.00 H new ATOM 0 HA GLU A 20 8.633 -0.457 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.151 0.643 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.180 -0.814 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.306 -1.982 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.181 -0.556 8.907 1.00 0.00 H new ATOM 267 N LYS A 21 5.397 -0.442 7.521 1.00 0.00 N ATOM 268 CA LYS A 21 4.132 -1.068 7.177 1.00 0.00 C ATOM 269 C LYS A 21 4.081 -1.310 5.667 1.00 0.00 C ATOM 270 O LYS A 21 3.756 -2.410 5.222 1.00 0.00 O ATOM 271 CB LYS A 21 2.961 -0.237 7.706 1.00 0.00 C ATOM 272 CG LYS A 21 2.321 -0.904 8.925 1.00 0.00 C ATOM 273 CD LYS A 21 0.985 -0.245 9.272 1.00 0.00 C ATOM 274 CE LYS A 21 0.101 -1.193 10.085 1.00 0.00 C ATOM 275 NZ LYS A 21 -0.960 -1.773 9.232 1.00 0.00 N ATOM 0 H LYS A 21 5.332 0.293 8.225 1.00 0.00 H new ATOM 0 HA LYS A 21 4.046 -2.042 7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.310 0.760 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.215 -0.113 6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.166 -1.964 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.996 -0.836 9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.163 0.669 9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.469 0.044 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.709 -1.991 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.349 -0.654 10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.762 -2.066 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.280 -1.061 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.585 -2.600 8.725 1.00 0.00 H new ATOM 289 N LEU A 22 4.409 -0.265 4.921 1.00 0.00 N ATOM 290 CA LEU A 22 4.405 -0.351 3.471 1.00 0.00 C ATOM 291 C LEU A 22 5.210 -1.576 3.034 1.00 0.00 C ATOM 292 O LEU A 22 4.677 -2.475 2.385 1.00 0.00 O ATOM 293 CB LEU A 22 4.898 0.960 2.856 1.00 0.00 C ATOM 294 CG LEU A 22 3.850 1.787 2.109 1.00 0.00 C ATOM 295 CD1 LEU A 22 4.482 3.022 1.465 1.00 0.00 C ATOM 296 CD2 LEU A 22 3.099 0.929 1.089 1.00 0.00 C ATOM 0 H LEU A 22 4.679 0.645 5.294 1.00 0.00 H new ATOM 0 HA LEU A 22 3.389 -0.489 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.318 1.576 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.711 0.732 2.166 1.00 0.00 H new ATOM 0 HG LEU A 22 3.117 2.142 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.715 3.592 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.932 3.645 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.250 2.710 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.360 1.541 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.805 0.524 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.596 0.110 1.603 1.00 0.00 H new ATOM 308 N LEU A 23 6.481 -1.573 3.408 1.00 0.00 N ATOM 309 CA LEU A 23 7.365 -2.674 3.064 1.00 0.00 C ATOM 310 C LEU A 23 6.612 -3.996 3.222 1.00 0.00 C ATOM 311 O LEU A 23 6.598 -4.820 2.309 1.00 0.00 O ATOM 312 CB LEU A 23 8.657 -2.599 3.880 1.00 0.00 C ATOM 313 CG LEU A 23 9.215 -1.196 4.126 1.00 0.00 C ATOM 314 CD1 LEU A 23 10.634 -1.263 4.695 1.00 0.00 C ATOM 315 CD2 LEU A 23 9.147 -0.349 2.854 1.00 0.00 C ATOM 0 H LEU A 23 6.920 -0.826 3.946 1.00 0.00 H new ATOM 0 HA LEU A 23 7.671 -2.605 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.481 -3.073 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.420 -3.188 3.370 1.00 0.00 H new ATOM 0 HG LEU A 23 8.591 -0.706 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.008 -0.253 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.622 -1.805 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.285 -1.779 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.550 0.644 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.733 -0.825 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.110 -0.261 2.531 1.00 0.00 H new ATOM 327 N GLN A 24 6.004 -4.158 4.389 1.00 0.00 N ATOM 328 CA GLN A 24 5.251 -5.366 4.679 1.00 0.00 C ATOM 329 C GLN A 24 4.224 -5.629 3.576 1.00 0.00 C ATOM 330 O GLN A 24 4.348 -6.595 2.825 1.00 0.00 O ATOM 331 CB GLN A 24 4.575 -5.275 6.048 1.00 0.00 C ATOM 332 CG GLN A 24 5.320 -6.117 7.085 1.00 0.00 C ATOM 333 CD GLN A 24 5.383 -7.585 6.657 1.00 0.00 C ATOM 334 OE1 GLN A 24 6.429 -8.117 6.323 1.00 0.00 O ATOM 335 NE2 GLN A 24 4.207 -8.207 6.684 1.00 0.00 N ATOM 0 H GLN A 24 6.018 -3.472 5.144 1.00 0.00 H new ATOM 0 HA GLN A 24 5.946 -6.206 4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.544 -4.235 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.543 -5.616 5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.330 -5.729 7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.820 -6.037 8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.370 -7.702 6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.143 -9.189 6.415 1.00 0.00 H new ATOM 344 N PHE A 25 3.233 -4.752 3.513 1.00 0.00 N ATOM 345 CA PHE A 25 2.185 -4.877 2.515 1.00 0.00 C ATOM 346 C PHE A 25 2.778 -5.081 1.119 1.00 0.00 C ATOM 347 O PHE A 25 2.406 -6.016 0.413 1.00 0.00 O ATOM 348 CB PHE A 25 1.391 -3.569 2.533 1.00 0.00 C ATOM 349 CG PHE A 25 0.119 -3.601 1.683 1.00 0.00 C ATOM 350 CD1 PHE A 25 -0.952 -4.334 2.089 1.00 0.00 C ATOM 351 CD2 PHE A 25 0.060 -2.897 0.521 1.00 0.00 C ATOM 352 CE1 PHE A 25 -2.132 -4.363 1.300 1.00 0.00 C ATOM 353 CE2 PHE A 25 -1.120 -2.926 -0.268 1.00 0.00 C ATOM 354 CZ PHE A 25 -2.191 -3.659 0.138 1.00 0.00 C ATOM 0 H PHE A 25 3.134 -3.952 4.137 1.00 0.00 H new ATOM 0 HA PHE A 25 1.556 -5.738 2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.122 -3.334 3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.032 -2.762 2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.905 -4.894 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.911 -2.316 0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.983 -4.944 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.167 -2.366 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.088 -3.682 -0.462 1.00 0.00 H new ATOM 364 N GLN A 26 3.691 -4.189 0.764 1.00 0.00 N ATOM 365 CA GLN A 26 4.340 -4.259 -0.534 1.00 0.00 C ATOM 366 C GLN A 26 4.919 -5.657 -0.764 1.00 0.00 C ATOM 367 O GLN A 26 4.863 -6.181 -1.875 1.00 0.00 O ATOM 368 CB GLN A 26 5.425 -3.188 -0.664 1.00 0.00 C ATOM 369 CG GLN A 26 6.477 -3.595 -1.698 1.00 0.00 C ATOM 370 CD GLN A 26 7.219 -2.370 -2.236 1.00 0.00 C ATOM 371 OE1 GLN A 26 8.130 -1.843 -1.619 1.00 0.00 O ATOM 372 NE2 GLN A 26 6.779 -1.948 -3.418 1.00 0.00 N ATOM 0 H GLN A 26 3.997 -3.414 1.353 1.00 0.00 H new ATOM 0 HA GLN A 26 3.592 -4.066 -1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.972 -2.240 -0.955 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.903 -3.030 0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.188 -4.286 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.997 -4.125 -2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.012 -2.436 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.209 -1.137 -3.862 1.00 0.00 H new ATOM 381 N ASP A 27 5.462 -6.220 0.305 1.00 0.00 N ATOM 382 CA ASP A 27 6.051 -7.547 0.235 1.00 0.00 C ATOM 383 C ASP A 27 4.936 -8.589 0.124 1.00 0.00 C ATOM 384 O ASP A 27 4.980 -9.460 -0.744 1.00 0.00 O ATOM 385 CB ASP A 27 6.864 -7.856 1.493 1.00 0.00 C ATOM 386 CG ASP A 27 8.117 -8.703 1.261 1.00 0.00 C ATOM 387 OD1 ASP A 27 8.050 -9.585 0.377 1.00 0.00 O ATOM 388 OD2 ASP A 27 9.113 -8.450 1.972 1.00 0.00 O ATOM 0 H ASP A 27 5.507 -5.782 1.225 1.00 0.00 H new ATOM 0 HA ASP A 27 6.707 -7.580 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.160 -6.915 1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.221 -8.373 2.205 1.00 0.00 H new ATOM 393 N LEU A 28 3.964 -8.466 1.015 1.00 0.00 N ATOM 394 CA LEU A 28 2.840 -9.387 1.028 1.00 0.00 C ATOM 395 C LEU A 28 2.150 -9.363 -0.337 1.00 0.00 C ATOM 396 O LEU A 28 2.137 -10.367 -1.048 1.00 0.00 O ATOM 397 CB LEU A 28 1.903 -9.072 2.196 1.00 0.00 C ATOM 398 CG LEU A 28 2.470 -9.314 3.596 1.00 0.00 C ATOM 399 CD1 LEU A 28 2.096 -8.172 4.544 1.00 0.00 C ATOM 400 CD2 LEU A 28 2.032 -10.676 4.138 1.00 0.00 C ATOM 0 H LEU A 28 3.931 -7.743 1.733 1.00 0.00 H new ATOM 0 HA LEU A 28 3.186 -10.407 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.603 -8.027 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.000 -9.672 2.083 1.00 0.00 H new ATOM 0 HG LEU A 28 3.558 -9.331 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.511 -8.369 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.499 -7.234 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.011 -8.098 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.449 -10.822 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.944 -10.714 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.391 -11.464 3.475 1.00 0.00 H new ATOM 412 N THR A 29 1.594 -8.206 -0.664 1.00 0.00 N ATOM 413 CA THR A 29 0.905 -8.038 -1.932 1.00 0.00 C ATOM 414 C THR A 29 1.860 -8.303 -3.097 1.00 0.00 C ATOM 415 O THR A 29 1.719 -9.298 -3.806 1.00 0.00 O ATOM 416 CB THR A 29 0.292 -6.636 -1.955 1.00 0.00 C ATOM 417 OG1 THR A 29 1.404 -5.768 -1.754 1.00 0.00 O ATOM 418 CG2 THR A 29 -0.610 -6.372 -0.748 1.00 0.00 C ATOM 0 H THR A 29 1.607 -7.375 -0.072 1.00 0.00 H new ATOM 0 HA THR A 29 0.098 -8.763 -2.043 1.00 0.00 H new ATOM 0 HB THR A 29 -0.282 -6.506 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.493 -5.566 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.019 -5.364 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.426 -7.095 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.029 -6.469 0.169 1.00 0.00 H new ATOM 426 N GLY A 30 2.810 -7.394 -3.260 1.00 0.00 N ATOM 427 CA GLY A 30 3.788 -7.517 -4.327 1.00 0.00 C ATOM 428 C GLY A 30 3.547 -6.468 -5.415 1.00 0.00 C ATOM 429 O GLY A 30 3.930 -6.664 -6.567 1.00 0.00 O ATOM 0 H GLY A 30 2.923 -6.569 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.792 -7.400 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.734 -8.515 -4.761 1.00 0.00 H new ATOM 433 N ILE A 31 2.914 -5.377 -5.010 1.00 0.00 N ATOM 434 CA ILE A 31 2.617 -4.297 -5.936 1.00 0.00 C ATOM 435 C ILE A 31 3.896 -3.504 -6.214 1.00 0.00 C ATOM 436 O ILE A 31 4.641 -3.177 -5.291 1.00 0.00 O ATOM 437 CB ILE A 31 1.465 -3.440 -5.408 1.00 0.00 C ATOM 438 CG1 ILE A 31 0.142 -4.207 -5.462 1.00 0.00 C ATOM 439 CG2 ILE A 31 1.385 -2.108 -6.156 1.00 0.00 C ATOM 440 CD1 ILE A 31 -0.808 -3.739 -4.358 1.00 0.00 C ATOM 0 H ILE A 31 2.598 -5.217 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 31 2.275 -4.697 -6.891 1.00 0.00 H new ATOM 0 HB ILE A 31 1.662 -3.210 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.327 -4.063 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.332 -5.275 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.558 -1.518 -5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.318 -1.560 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.223 -2.296 -7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.741 -4.300 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.346 -3.907 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.015 -2.676 -4.483 1.00 0.00 H new ATOM 452 N GLU A 32 4.111 -3.217 -7.490 1.00 0.00 N ATOM 453 CA GLU A 32 5.287 -2.469 -7.901 1.00 0.00 C ATOM 454 C GLU A 32 5.132 -0.992 -7.530 1.00 0.00 C ATOM 455 O GLU A 32 5.926 -0.456 -6.759 1.00 0.00 O ATOM 456 CB GLU A 32 5.546 -2.634 -9.399 1.00 0.00 C ATOM 457 CG GLU A 32 6.541 -3.766 -9.663 1.00 0.00 C ATOM 458 CD GLU A 32 7.982 -3.277 -9.506 1.00 0.00 C ATOM 459 OE1 GLU A 32 8.448 -2.578 -10.431 1.00 0.00 O ATOM 460 OE2 GLU A 32 8.585 -3.613 -8.463 1.00 0.00 O ATOM 0 H GLU A 32 3.491 -3.489 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 32 6.152 -2.868 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.608 -2.843 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.934 -1.702 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.355 -4.588 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.394 -4.157 -10.670 1.00 0.00 H new ATOM 467 N SER A 33 4.105 -0.378 -8.097 1.00 0.00 N ATOM 468 CA SER A 33 3.836 1.026 -7.836 1.00 0.00 C ATOM 469 C SER A 33 3.476 1.225 -6.362 1.00 0.00 C ATOM 470 O SER A 33 2.422 0.780 -5.911 1.00 0.00 O ATOM 471 CB SER A 33 2.710 1.547 -8.732 1.00 0.00 C ATOM 472 OG SER A 33 3.149 1.759 -10.071 1.00 0.00 O ATOM 0 H SER A 33 3.449 -0.827 -8.736 1.00 0.00 H new ATOM 0 HA SER A 33 4.738 1.595 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.885 0.834 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.325 2.482 -8.324 1.00 0.00 H new ATOM 0 HG SER A 33 2.402 2.090 -10.612 1.00 0.00 H new ATOM 478 N MET A 34 4.373 1.894 -5.653 1.00 0.00 N ATOM 479 CA MET A 34 4.164 2.157 -4.239 1.00 0.00 C ATOM 480 C MET A 34 2.836 2.881 -4.007 1.00 0.00 C ATOM 481 O MET A 34 2.135 2.603 -3.036 1.00 0.00 O ATOM 482 CB MET A 34 5.313 3.013 -3.703 1.00 0.00 C ATOM 483 CG MET A 34 5.599 2.691 -2.235 1.00 0.00 C ATOM 484 SD MET A 34 7.057 1.669 -2.106 1.00 0.00 S ATOM 485 CE MET A 34 6.716 0.835 -0.566 1.00 0.00 C ATOM 0 H MET A 34 5.246 2.262 -6.031 1.00 0.00 H new ATOM 0 HA MET A 34 4.134 1.203 -3.712 1.00 0.00 H new ATOM 0 HB2 MET A 34 6.209 2.839 -4.298 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.063 4.069 -3.805 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.741 3.614 -1.673 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.745 2.177 -1.794 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.525 0.139 -0.342 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.637 1.569 0.236 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.778 0.286 -0.649 1.00 0.00 H new ATOM 495 N ASP A 35 2.532 3.796 -4.915 1.00 0.00 N ATOM 496 CA ASP A 35 1.301 4.563 -4.822 1.00 0.00 C ATOM 497 C ASP A 35 0.123 3.606 -4.621 1.00 0.00 C ATOM 498 O ASP A 35 -0.699 3.806 -3.728 1.00 0.00 O ATOM 499 CB ASP A 35 1.049 5.360 -6.103 1.00 0.00 C ATOM 500 CG ASP A 35 2.013 6.524 -6.341 1.00 0.00 C ATOM 501 OD1 ASP A 35 3.135 6.244 -6.815 1.00 0.00 O ATOM 502 OD2 ASP A 35 1.606 7.667 -6.042 1.00 0.00 O ATOM 0 H ASP A 35 3.117 4.024 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 35 1.396 5.252 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.107 4.680 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.032 5.750 -6.076 1.00 0.00 H new ATOM 507 N GLN A 36 0.080 2.587 -5.467 1.00 0.00 N ATOM 508 CA GLN A 36 -0.983 1.599 -5.393 1.00 0.00 C ATOM 509 C GLN A 36 -1.077 1.024 -3.979 1.00 0.00 C ATOM 510 O GLN A 36 -2.172 0.852 -3.446 1.00 0.00 O ATOM 511 CB GLN A 36 -0.771 0.488 -6.424 1.00 0.00 C ATOM 512 CG GLN A 36 -1.583 0.755 -7.693 1.00 0.00 C ATOM 513 CD GLN A 36 -1.136 -0.163 -8.833 1.00 0.00 C ATOM 514 OE1 GLN A 36 -0.189 0.113 -9.551 1.00 0.00 O ATOM 515 NE2 GLN A 36 -1.868 -1.266 -8.958 1.00 0.00 N ATOM 0 H GLN A 36 0.763 2.424 -6.206 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.927 2.092 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.288 0.416 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.063 -0.471 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.643 0.600 -7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.465 1.796 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.648 -1.435 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.650 -1.943 -9.689 1.00 0.00 H new ATOM 524 N CYS A 37 0.086 0.743 -3.410 1.00 0.00 N ATOM 525 CA CYS A 37 0.149 0.191 -2.068 1.00 0.00 C ATOM 526 C CYS A 37 -0.475 1.201 -1.103 1.00 0.00 C ATOM 527 O CYS A 37 -1.585 0.994 -0.615 1.00 0.00 O ATOM 528 CB CYS A 37 1.583 -0.166 -1.670 1.00 0.00 C ATOM 529 SG CYS A 37 1.955 -1.892 -2.153 1.00 0.00 S ATOM 0 H CYS A 37 0.993 0.888 -3.854 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.413 -0.742 -2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.284 0.515 -2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.712 -0.045 -0.594 1.00 0.00 H new ATOM 0 HG CYS A 37 1.214 -2.706 -1.461 1.00 0.00 H new ATOM 535 N ARG A 38 0.265 2.273 -0.858 1.00 0.00 N ATOM 536 CA ARG A 38 -0.203 3.316 0.040 1.00 0.00 C ATOM 537 C ARG A 38 -1.704 3.546 -0.151 1.00 0.00 C ATOM 538 O ARG A 38 -2.412 3.864 0.803 1.00 0.00 O ATOM 539 CB ARG A 38 0.543 4.629 -0.206 1.00 0.00 C ATOM 540 CG ARG A 38 0.412 5.566 0.996 1.00 0.00 C ATOM 541 CD ARG A 38 1.084 6.912 0.717 1.00 0.00 C ATOM 542 NE ARG A 38 0.059 7.970 0.576 1.00 0.00 N ATOM 543 CZ ARG A 38 0.304 9.195 0.091 1.00 0.00 C ATOM 544 NH1 ARG A 38 1.542 9.523 -0.304 1.00 0.00 N ATOM 545 NH2 ARG A 38 -0.688 10.091 0.000 1.00 0.00 N ATOM 0 H ARG A 38 1.185 2.442 -1.265 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.009 2.987 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.596 4.423 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.146 5.116 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.642 5.722 1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.865 5.104 1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.767 7.162 1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.680 6.848 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.894 7.753 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.297 8.840 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.729 10.455 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.630 9.841 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.501 11.023 -0.369 1.00 0.00 H new ATOM 559 N HIS A 39 -2.144 3.376 -1.389 1.00 0.00 N ATOM 560 CA HIS A 39 -3.547 3.562 -1.716 1.00 0.00 C ATOM 561 C HIS A 39 -4.399 2.598 -0.888 1.00 0.00 C ATOM 562 O HIS A 39 -5.121 3.020 0.014 1.00 0.00 O ATOM 563 CB HIS A 39 -3.778 3.414 -3.221 1.00 0.00 C ATOM 564 CG HIS A 39 -5.034 4.089 -3.719 1.00 0.00 C ATOM 565 ND1 HIS A 39 -5.427 4.055 -5.046 1.00 0.00 N ATOM 566 CD2 HIS A 39 -5.979 4.814 -3.055 1.00 0.00 C ATOM 567 CE1 HIS A 39 -6.559 4.734 -5.164 1.00 0.00 C ATOM 568 NE2 HIS A 39 -6.899 5.204 -3.929 1.00 0.00 N ATOM 0 H HIS A 39 -1.554 3.111 -2.178 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.853 4.576 -1.458 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.921 3.827 -3.752 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.825 2.353 -3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.979 5.034 -1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.115 4.888 -6.077 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.724 5.763 -3.713 1.00 0.00 H new ATOM 576 N THR A 40 -4.286 1.321 -1.224 1.00 0.00 N ATOM 577 CA THR A 40 -5.037 0.294 -0.523 1.00 0.00 C ATOM 578 C THR A 40 -4.942 0.502 0.990 1.00 0.00 C ATOM 579 O THR A 40 -5.904 0.259 1.716 1.00 0.00 O ATOM 580 CB THR A 40 -4.516 -1.070 -0.982 1.00 0.00 C ATOM 581 OG1 THR A 40 -5.223 -1.321 -2.193 1.00 0.00 O ATOM 582 CG2 THR A 40 -4.951 -2.206 -0.054 1.00 0.00 C ATOM 0 H THR A 40 -3.686 0.975 -1.972 1.00 0.00 H new ATOM 0 HA THR A 40 -6.099 0.350 -0.761 1.00 0.00 H new ATOM 0 HB THR A 40 -3.428 -1.043 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.945 -2.186 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.555 -3.151 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.569 -2.022 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.039 -2.255 -0.025 1.00 0.00 H new ATOM 590 N LEU A 41 -3.771 0.950 1.421 1.00 0.00 N ATOM 591 CA LEU A 41 -3.537 1.193 2.834 1.00 0.00 C ATOM 592 C LEU A 41 -4.330 2.427 3.272 1.00 0.00 C ATOM 593 O LEU A 41 -5.304 2.311 4.014 1.00 0.00 O ATOM 594 CB LEU A 41 -2.037 1.293 3.119 1.00 0.00 C ATOM 595 CG LEU A 41 -1.292 -0.036 3.259 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.195 0.133 2.937 1.00 0.00 C ATOM 597 CD2 LEU A 41 -1.512 -0.645 4.645 1.00 0.00 C ATOM 0 H LEU A 41 -2.975 1.151 0.816 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.896 0.354 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.572 1.865 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.899 1.863 4.038 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.702 -0.736 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.702 -0.826 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.307 0.491 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.636 0.855 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.972 -1.589 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.145 0.043 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.576 -0.823 4.799 1.00 0.00 H new ATOM 609 N GLU A 42 -3.882 3.579 2.795 1.00 0.00 N ATOM 610 CA GLU A 42 -4.537 4.832 3.128 1.00 0.00 C ATOM 611 C GLU A 42 -6.055 4.644 3.167 1.00 0.00 C ATOM 612 O GLU A 42 -6.715 5.079 4.109 1.00 0.00 O ATOM 613 CB GLU A 42 -4.146 5.934 2.142 1.00 0.00 C ATOM 614 CG GLU A 42 -3.007 6.790 2.700 1.00 0.00 C ATOM 615 CD GLU A 42 -3.533 7.816 3.706 1.00 0.00 C ATOM 616 OE1 GLU A 42 -4.697 8.236 3.531 1.00 0.00 O ATOM 617 OE2 GLU A 42 -2.759 8.157 4.626 1.00 0.00 O ATOM 0 H GLU A 42 -3.073 3.671 2.180 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.204 5.141 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.841 5.488 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.011 6.564 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.268 6.149 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.500 7.303 1.883 1.00 0.00 H new ATOM 624 N GLN A 43 -6.565 3.994 2.130 1.00 0.00 N ATOM 625 CA GLN A 43 -7.993 3.743 2.034 1.00 0.00 C ATOM 626 C GLN A 43 -8.512 3.121 3.332 1.00 0.00 C ATOM 627 O GLN A 43 -9.327 3.722 4.030 1.00 0.00 O ATOM 628 CB GLN A 43 -8.313 2.851 0.833 1.00 0.00 C ATOM 629 CG GLN A 43 -8.934 3.664 -0.305 1.00 0.00 C ATOM 630 CD GLN A 43 -10.462 3.650 -0.217 1.00 0.00 C ATOM 631 OE1 GLN A 43 -11.076 2.684 0.205 1.00 0.00 O ATOM 632 NE2 GLN A 43 -11.038 4.773 -0.637 1.00 0.00 N ATOM 0 H GLN A 43 -6.015 3.634 1.350 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.500 4.696 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.402 2.366 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.999 2.060 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.573 4.692 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.617 3.255 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.464 5.544 -0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.054 4.863 -0.618 1.00 0.00 H new ATOM 641 N HIS A 44 -8.018 1.925 3.616 1.00 0.00 N ATOM 642 CA HIS A 44 -8.421 1.215 4.818 1.00 0.00 C ATOM 643 C HIS A 44 -7.870 1.937 6.050 1.00 0.00 C ATOM 644 O HIS A 44 -8.233 1.611 7.179 1.00 0.00 O ATOM 645 CB HIS A 44 -7.996 -0.253 4.751 1.00 0.00 C ATOM 646 CG HIS A 44 -9.104 -1.196 4.349 1.00 0.00 C ATOM 647 ND1 HIS A 44 -10.073 -1.635 5.234 1.00 0.00 N ATOM 648 CD2 HIS A 44 -9.388 -1.778 3.148 1.00 0.00 C ATOM 649 CE1 HIS A 44 -10.897 -2.445 4.585 1.00 0.00 C ATOM 650 NE2 HIS A 44 -10.470 -2.532 3.293 1.00 0.00 N ATOM 0 H HIS A 44 -7.342 1.430 3.034 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.508 1.214 4.897 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.175 -0.351 4.041 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -7.612 -0.554 5.726 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.827 -1.647 2.234 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.755 -2.948 5.005 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.910 -3.086 2.558 1.00 0.00 H new ATOM 658 N ASN A 45 -7.002 2.903 5.790 1.00 0.00 N ATOM 659 CA ASN A 45 -6.397 3.674 6.863 1.00 0.00 C ATOM 660 C ASN A 45 -5.168 2.930 7.389 1.00 0.00 C ATOM 661 O ASN A 45 -5.113 2.566 8.562 1.00 0.00 O ATOM 662 CB ASN A 45 -7.373 3.856 8.028 1.00 0.00 C ATOM 663 CG ASN A 45 -8.791 4.122 7.519 1.00 0.00 C ATOM 664 OD1 ASN A 45 -9.735 3.418 7.839 1.00 0.00 O ATOM 665 ND2 ASN A 45 -8.888 5.173 6.710 1.00 0.00 N ATOM 0 H ASN A 45 -6.703 3.170 4.852 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.124 4.651 6.464 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.369 2.963 8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.046 4.686 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.793 5.432 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.058 5.720 6.483 1.00 0.00 H new ATOM 672 N TRP A 46 -4.212 2.727 6.494 1.00 0.00 N ATOM 673 CA TRP A 46 -2.986 2.033 6.853 1.00 0.00 C ATOM 674 C TRP A 46 -3.361 0.828 7.719 1.00 0.00 C ATOM 675 O TRP A 46 -2.962 0.745 8.879 1.00 0.00 O ATOM 676 CB TRP A 46 -2.001 2.980 7.541 1.00 0.00 C ATOM 677 CG TRP A 46 -1.475 4.095 6.636 1.00 0.00 C ATOM 678 CD1 TRP A 46 -2.060 5.265 6.342 1.00 0.00 C ATOM 679 CD2 TRP A 46 -0.225 4.099 5.914 1.00 0.00 C ATOM 680 NE1 TRP A 46 -1.282 6.019 5.487 1.00 0.00 N ATOM 681 CE2 TRP A 46 -0.131 5.287 5.218 1.00 0.00 C ATOM 682 CE3 TRP A 46 0.792 3.131 5.851 1.00 0.00 C ATOM 683 CZ2 TRP A 46 0.964 5.617 4.410 1.00 0.00 C ATOM 684 CZ3 TRP A 46 1.879 3.476 5.039 1.00 0.00 C ATOM 685 CH2 TRP A 46 1.989 4.667 4.332 1.00 0.00 C ATOM 0 H TRP A 46 -4.261 3.031 5.521 1.00 0.00 H new ATOM 0 HA TRP A 46 -2.471 1.675 5.962 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.488 3.428 8.407 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.157 2.401 7.915 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.020 5.578 6.726 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.510 6.943 5.120 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.739 2.195 6.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.015 6.554 3.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.689 2.766 4.956 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.861 4.859 3.725 1.00 0.00 H new ATOM 696 N ASN A 47 -4.124 -0.075 7.121 1.00 0.00 N ATOM 697 CA ASN A 47 -4.557 -1.272 7.823 1.00 0.00 C ATOM 698 C ASN A 47 -4.229 -2.502 6.974 1.00 0.00 C ATOM 699 O ASN A 47 -5.117 -3.092 6.360 1.00 0.00 O ATOM 700 CB ASN A 47 -6.067 -1.252 8.064 1.00 0.00 C ATOM 701 CG ASN A 47 -6.385 -0.911 9.521 1.00 0.00 C ATOM 702 OD1 ASN A 47 -5.529 -0.513 10.294 1.00 0.00 O ATOM 703 ND2 ASN A 47 -7.661 -1.090 9.852 1.00 0.00 N ATOM 0 H ASN A 47 -4.454 -0.002 6.158 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.039 -1.308 8.782 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.534 -0.520 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.492 -2.224 7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.974 -0.891 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.326 -1.426 9.156 1.00 0.00 H new ATOM 710 N ILE A 48 -2.952 -2.854 6.967 1.00 0.00 N ATOM 711 CA ILE A 48 -2.496 -4.003 6.204 1.00 0.00 C ATOM 712 C ILE A 48 -3.522 -5.132 6.329 1.00 0.00 C ATOM 713 O ILE A 48 -3.927 -5.720 5.327 1.00 0.00 O ATOM 714 CB ILE A 48 -1.084 -4.406 6.634 1.00 0.00 C ATOM 715 CG1 ILE A 48 -0.047 -3.407 6.116 1.00 0.00 C ATOM 716 CG2 ILE A 48 -0.766 -5.838 6.200 1.00 0.00 C ATOM 717 CD1 ILE A 48 1.374 -3.923 6.346 1.00 0.00 C ATOM 0 H ILE A 48 -2.218 -2.363 7.478 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.423 -3.753 5.146 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.039 -4.382 7.723 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.206 -3.231 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.176 -2.449 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.243 -6.099 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.479 -6.524 6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.835 -5.913 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.091 -3.194 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.538 -4.075 7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.507 -4.869 5.820 1.00 0.00 H new ATOM 729 N GLU A 49 -3.913 -5.399 7.566 1.00 0.00 N ATOM 730 CA GLU A 49 -4.883 -6.446 7.834 1.00 0.00 C ATOM 731 C GLU A 49 -6.076 -6.320 6.885 1.00 0.00 C ATOM 732 O GLU A 49 -6.526 -7.312 6.312 1.00 0.00 O ATOM 733 CB GLU A 49 -5.339 -6.411 9.294 1.00 0.00 C ATOM 734 CG GLU A 49 -4.968 -7.708 10.017 1.00 0.00 C ATOM 735 CD GLU A 49 -5.844 -7.917 11.253 1.00 0.00 C ATOM 736 OE1 GLU A 49 -7.063 -8.112 11.059 1.00 0.00 O ATOM 737 OE2 GLU A 49 -5.275 -7.876 12.365 1.00 0.00 O ATOM 0 H GLU A 49 -3.575 -4.908 8.394 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.405 -7.410 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.879 -5.563 9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.418 -6.262 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.084 -8.553 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.919 -7.677 10.311 1.00 0.00 H new ATOM 744 N ALA A 50 -6.555 -5.093 6.746 1.00 0.00 N ATOM 745 CA ALA A 50 -7.687 -4.824 5.876 1.00 0.00 C ATOM 746 C ALA A 50 -7.192 -4.666 4.437 1.00 0.00 C ATOM 747 O ALA A 50 -7.636 -5.383 3.541 1.00 0.00 O ATOM 748 CB ALA A 50 -8.433 -3.585 6.375 1.00 0.00 C ATOM 0 H ALA A 50 -6.179 -4.273 7.222 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.390 -5.656 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.282 -3.384 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.789 -3.759 7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.760 -2.728 6.369 1.00 0.00 H new ATOM 754 N ALA A 51 -6.278 -3.723 4.259 1.00 0.00 N ATOM 755 CA ALA A 51 -5.717 -3.462 2.945 1.00 0.00 C ATOM 756 C ALA A 51 -5.431 -4.792 2.244 1.00 0.00 C ATOM 757 O ALA A 51 -5.765 -4.964 1.072 1.00 0.00 O ATOM 758 CB ALA A 51 -4.464 -2.596 3.086 1.00 0.00 C ATOM 0 H ALA A 51 -5.912 -3.130 5.004 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.426 -2.910 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.044 -2.401 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.726 -1.651 3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.728 -3.118 3.697 1.00 0.00 H new ATOM 764 N VAL A 52 -4.816 -5.697 2.990 1.00 0.00 N ATOM 765 CA VAL A 52 -4.482 -7.006 2.455 1.00 0.00 C ATOM 766 C VAL A 52 -5.749 -7.670 1.913 1.00 0.00 C ATOM 767 O VAL A 52 -5.742 -8.227 0.816 1.00 0.00 O ATOM 768 CB VAL A 52 -3.778 -7.844 3.524 1.00 0.00 C ATOM 769 CG1 VAL A 52 -3.786 -9.328 3.150 1.00 0.00 C ATOM 770 CG2 VAL A 52 -2.351 -7.346 3.760 1.00 0.00 C ATOM 0 H VAL A 52 -4.540 -5.550 3.961 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.784 -6.912 1.623 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.331 -7.730 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.279 -9.902 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.815 -9.674 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.269 -9.467 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.873 -7.959 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.783 -7.415 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.378 -6.308 4.092 1.00 0.00 H new ATOM 780 N GLN A 53 -6.807 -7.589 2.707 1.00 0.00 N ATOM 781 CA GLN A 53 -8.079 -8.175 2.320 1.00 0.00 C ATOM 782 C GLN A 53 -8.651 -7.446 1.103 1.00 0.00 C ATOM 783 O GLN A 53 -8.728 -8.014 0.014 1.00 0.00 O ATOM 784 CB GLN A 53 -9.069 -8.154 3.487 1.00 0.00 C ATOM 785 CG GLN A 53 -8.795 -9.303 4.459 1.00 0.00 C ATOM 786 CD GLN A 53 -8.976 -10.658 3.771 1.00 0.00 C ATOM 787 OE1 GLN A 53 -10.046 -11.005 3.297 1.00 0.00 O ATOM 788 NE2 GLN A 53 -7.874 -11.402 3.743 1.00 0.00 N ATOM 0 H GLN A 53 -6.809 -7.127 3.616 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.910 -9.217 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.996 -7.202 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.087 -8.230 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.780 -9.221 4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.470 -9.231 5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.011 -11.051 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.892 -12.323 3.306 1.00 0.00 H new ATOM 797 N ASP A 54 -9.038 -6.199 1.327 1.00 0.00 N ATOM 798 CA ASP A 54 -9.601 -5.387 0.262 1.00 0.00 C ATOM 799 C ASP A 54 -8.809 -5.622 -1.026 1.00 0.00 C ATOM 800 O ASP A 54 -9.353 -5.506 -2.123 1.00 0.00 O ATOM 801 CB ASP A 54 -9.519 -3.898 0.602 1.00 0.00 C ATOM 802 CG ASP A 54 -10.710 -3.060 0.133 1.00 0.00 C ATOM 803 OD1 ASP A 54 -10.774 -2.799 -1.088 1.00 0.00 O ATOM 804 OD2 ASP A 54 -11.530 -2.700 1.005 1.00 0.00 O ATOM 0 H ASP A 54 -8.973 -5.731 2.231 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.646 -5.671 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.423 -3.792 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.610 -3.489 0.160 1.00 0.00 H new ATOM 809 N ARG A 55 -7.537 -5.949 -0.849 1.00 0.00 N ATOM 810 CA ARG A 55 -6.665 -6.202 -1.983 1.00 0.00 C ATOM 811 C ARG A 55 -6.971 -7.571 -2.594 1.00 0.00 C ATOM 812 O ARG A 55 -7.314 -7.667 -3.771 1.00 0.00 O ATOM 813 CB ARG A 55 -5.193 -6.154 -1.568 1.00 0.00 C ATOM 814 CG ARG A 55 -4.286 -6.627 -2.706 1.00 0.00 C ATOM 815 CD ARG A 55 -3.514 -5.455 -3.314 1.00 0.00 C ATOM 816 NE ARG A 55 -2.602 -5.944 -4.372 1.00 0.00 N ATOM 817 CZ ARG A 55 -3.007 -6.353 -5.582 1.00 0.00 C ATOM 818 NH1 ARG A 55 -4.310 -6.334 -5.895 1.00 0.00 N ATOM 819 NH2 ARG A 55 -2.109 -6.781 -6.480 1.00 0.00 N ATOM 0 H ARG A 55 -7.090 -6.044 0.063 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.848 -5.422 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.925 -5.137 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.038 -6.782 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.586 -7.373 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.886 -7.111 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.210 -4.727 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.944 -4.943 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.603 -5.971 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.994 -6.008 -5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.618 -6.645 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.117 -6.795 -6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.417 -7.092 -7.401 1.00 0.00 H new ATOM 833 N LEU A 56 -6.837 -8.596 -1.765 1.00 0.00 N ATOM 834 CA LEU A 56 -7.095 -9.955 -2.209 1.00 0.00 C ATOM 835 C LEU A 56 -8.595 -10.133 -2.450 1.00 0.00 C ATOM 836 O LEU A 56 -9.018 -10.415 -3.570 1.00 0.00 O ATOM 837 CB LEU A 56 -6.508 -10.963 -1.218 1.00 0.00 C ATOM 838 CG LEU A 56 -5.005 -11.226 -1.339 1.00 0.00 C ATOM 839 CD1 LEU A 56 -4.266 -10.775 -0.078 1.00 0.00 C ATOM 840 CD2 LEU A 56 -4.730 -12.694 -1.671 1.00 0.00 C ATOM 0 H LEU A 56 -6.553 -8.513 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.594 -10.147 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.715 -10.611 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.033 -11.910 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.620 -10.631 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.200 -10.973 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.423 -9.707 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.648 -11.323 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.655 -12.854 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.133 -13.327 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.206 -12.948 -2.618 1.00 0.00 H new ATOM 852 N ASN A 57 -9.358 -9.959 -1.381 1.00 0.00 N ATOM 853 CA ASN A 57 -10.802 -10.097 -1.462 1.00 0.00 C ATOM 854 C ASN A 57 -11.296 -9.482 -2.774 1.00 0.00 C ATOM 855 O ASN A 57 -12.024 -10.124 -3.529 1.00 0.00 O ATOM 856 CB ASN A 57 -11.491 -9.365 -0.308 1.00 0.00 C ATOM 857 CG ASN A 57 -11.581 -10.257 0.931 1.00 0.00 C ATOM 858 OD1 ASN A 57 -11.544 -11.474 0.856 1.00 0.00 O ATOM 859 ND2 ASN A 57 -11.700 -9.586 2.073 1.00 0.00 N ATOM 0 H ASN A 57 -9.003 -9.724 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.043 -11.159 -1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.938 -8.457 -0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.491 -9.058 -0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.767 -10.091 2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.725 -8.566 2.065 1.00 0.00 H new ATOM 866 N GLU A 58 -10.880 -8.246 -3.004 1.00 0.00 N ATOM 867 CA GLU A 58 -11.270 -7.537 -4.211 1.00 0.00 C ATOM 868 C GLU A 58 -12.762 -7.740 -4.486 1.00 0.00 C ATOM 869 O GLU A 58 -13.134 -8.400 -5.455 1.00 0.00 O ATOM 870 CB GLU A 58 -10.426 -7.984 -5.406 1.00 0.00 C ATOM 871 CG GLU A 58 -10.435 -6.925 -6.511 1.00 0.00 C ATOM 872 CD GLU A 58 -10.356 -7.575 -7.894 1.00 0.00 C ATOM 873 OE1 GLU A 58 -11.414 -8.051 -8.359 1.00 0.00 O ATOM 874 OE2 GLU A 58 -9.238 -7.580 -8.454 1.00 0.00 O ATOM 0 H GLU A 58 -10.276 -7.717 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.090 -6.473 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.401 -8.169 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.812 -8.926 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.343 -6.326 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.593 -6.246 -6.376 1.00 0.00 H new ATOM 881 N GLN A 59 -13.575 -7.159 -3.617 1.00 0.00 N ATOM 882 CA GLN A 59 -15.018 -7.267 -3.754 1.00 0.00 C ATOM 883 C GLN A 59 -15.604 -5.944 -4.251 1.00 0.00 C ATOM 884 O GLN A 59 -16.284 -5.243 -3.503 1.00 0.00 O ATOM 885 CB GLN A 59 -15.664 -7.692 -2.433 1.00 0.00 C ATOM 886 CG GLN A 59 -17.183 -7.800 -2.576 1.00 0.00 C ATOM 887 CD GLN A 59 -17.735 -8.937 -1.715 1.00 0.00 C ATOM 888 OE1 GLN A 59 -17.060 -9.909 -1.417 1.00 0.00 O ATOM 889 NE2 GLN A 59 -18.997 -8.763 -1.332 1.00 0.00 N ATOM 0 H GLN A 59 -13.262 -6.612 -2.815 1.00 0.00 H new ATOM 0 HA GLN A 59 -15.237 -8.039 -4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.256 -8.652 -2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -15.419 -6.969 -1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -17.647 -6.858 -2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.442 -7.971 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -19.505 -7.926 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.456 -9.467 -0.754 1.00 0.00 H new ATOM 898 N GLU A 60 -15.320 -5.643 -5.509 1.00 0.00 N ATOM 899 CA GLU A 60 -15.811 -4.417 -6.115 1.00 0.00 C ATOM 900 C GLU A 60 -17.143 -4.671 -6.823 1.00 0.00 C ATOM 901 O GLU A 60 -18.170 -4.114 -6.439 1.00 0.00 O ATOM 902 CB GLU A 60 -14.779 -3.831 -7.081 1.00 0.00 C ATOM 903 CG GLU A 60 -15.215 -2.452 -7.579 1.00 0.00 C ATOM 904 CD GLU A 60 -15.431 -2.459 -9.094 1.00 0.00 C ATOM 905 OE1 GLU A 60 -16.101 -3.402 -9.567 1.00 0.00 O ATOM 906 OE2 GLU A 60 -14.921 -1.521 -9.744 1.00 0.00 O ATOM 0 H GLU A 60 -14.756 -6.227 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.976 -3.685 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.813 -3.753 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.647 -4.503 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.136 -2.155 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.458 -1.712 -7.319 1.00 0.00 H new ATOM 913 N GLY A 61 -17.082 -5.512 -7.845 1.00 0.00 N ATOM 914 CA GLY A 61 -18.271 -5.847 -8.610 1.00 0.00 C ATOM 915 C GLY A 61 -18.772 -4.637 -9.401 1.00 0.00 C ATOM 916 O GLY A 61 -18.851 -3.532 -8.868 1.00 0.00 O ATOM 0 H GLY A 61 -16.228 -5.971 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.049 -6.667 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.054 -6.196 -7.937 1.00 0.00 H new ATOM 920 N SER A 62 -19.100 -4.888 -10.660 1.00 0.00 N ATOM 921 CA SER A 62 -19.592 -3.833 -11.530 1.00 0.00 C ATOM 922 C SER A 62 -20.455 -4.431 -12.642 1.00 0.00 C ATOM 923 O SER A 62 -20.431 -5.640 -12.869 1.00 0.00 O ATOM 924 CB SER A 62 -18.436 -3.029 -12.129 1.00 0.00 C ATOM 925 OG SER A 62 -18.578 -1.631 -11.890 1.00 0.00 O ATOM 0 H SER A 62 -19.035 -5.807 -11.098 1.00 0.00 H new ATOM 0 HA SER A 62 -20.200 -3.154 -10.933 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.494 -3.376 -11.703 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.386 -3.210 -13.203 1.00 0.00 H new ATOM 0 HG SER A 62 -17.820 -1.153 -12.286 1.00 0.00 H new ATOM 931 N GLY A 63 -21.196 -3.557 -13.307 1.00 0.00 N ATOM 932 CA GLY A 63 -22.065 -3.985 -14.391 1.00 0.00 C ATOM 933 C GLY A 63 -23.283 -3.067 -14.511 1.00 0.00 C ATOM 934 O GLY A 63 -24.388 -3.442 -14.121 1.00 0.00 O ATOM 0 H GLY A 63 -21.213 -2.555 -13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -21.510 -3.984 -15.329 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -22.393 -5.010 -14.216 1.00 0.00 H new ATOM 938 N PRO A 64 -23.034 -1.851 -15.067 1.00 0.00 N ATOM 939 CA PRO A 64 -24.098 -0.877 -15.244 1.00 0.00 C ATOM 940 C PRO A 64 -25.007 -1.264 -16.412 1.00 0.00 C ATOM 941 O PRO A 64 -24.700 -2.189 -17.162 1.00 0.00 O ATOM 942 CB PRO A 64 -23.386 0.448 -15.459 1.00 0.00 C ATOM 943 CG PRO A 64 -21.962 0.097 -15.857 1.00 0.00 C ATOM 944 CD PRO A 64 -21.739 -1.373 -15.541 1.00 0.00 C ATOM 0 HA PRO A 64 -24.764 -0.821 -14.383 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -23.876 1.033 -16.237 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -23.400 1.051 -14.551 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -21.804 0.287 -16.919 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -21.250 0.717 -15.313 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -21.413 -1.923 -16.424 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -20.967 -1.502 -14.782 1.00 0.00 H new ATOM 952 N SER A 65 -26.108 -0.536 -16.529 1.00 0.00 N ATOM 953 CA SER A 65 -27.064 -0.791 -17.593 1.00 0.00 C ATOM 954 C SER A 65 -27.771 0.509 -17.984 1.00 0.00 C ATOM 955 O SER A 65 -28.759 0.894 -17.362 1.00 0.00 O ATOM 956 CB SER A 65 -28.088 -1.846 -17.172 1.00 0.00 C ATOM 957 OG SER A 65 -28.290 -2.828 -18.184 1.00 0.00 O ATOM 0 H SER A 65 -26.359 0.230 -15.904 1.00 0.00 H new ATOM 0 HA SER A 65 -26.521 -1.175 -18.456 1.00 0.00 H new ATOM 0 HB2 SER A 65 -27.751 -2.333 -16.257 1.00 0.00 H new ATOM 0 HB3 SER A 65 -29.037 -1.360 -16.944 1.00 0.00 H new ATOM 0 HG SER A 65 -28.949 -3.484 -17.876 1.00 0.00 H new ATOM 963 N SER A 66 -27.236 1.149 -19.014 1.00 0.00 N ATOM 964 CA SER A 66 -27.803 2.397 -19.496 1.00 0.00 C ATOM 965 C SER A 66 -28.822 2.116 -20.602 1.00 0.00 C ATOM 966 O SER A 66 -28.687 1.143 -21.342 1.00 0.00 O ATOM 967 CB SER A 66 -26.710 3.338 -20.006 1.00 0.00 C ATOM 968 OG SER A 66 -26.996 4.701 -19.705 1.00 0.00 O ATOM 0 H SER A 66 -26.416 0.826 -19.528 1.00 0.00 H new ATOM 0 HA SER A 66 -28.307 2.888 -18.664 1.00 0.00 H new ATOM 0 HB2 SER A 66 -25.755 3.061 -19.559 1.00 0.00 H new ATOM 0 HB3 SER A 66 -26.604 3.219 -21.084 1.00 0.00 H new ATOM 0 HG SER A 66 -26.274 5.270 -20.045 1.00 0.00 H new ATOM 974 N GLY A 67 -29.817 2.987 -20.681 1.00 0.00 N ATOM 975 CA GLY A 67 -30.858 2.845 -21.685 1.00 0.00 C ATOM 976 C GLY A 67 -31.672 4.134 -21.817 1.00 0.00 C ATOM 977 O GLY A 67 -32.584 4.380 -21.030 1.00 0.00 O ATOM 0 H GLY A 67 -29.925 3.794 -20.066 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -30.409 2.594 -22.646 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -31.518 2.020 -21.416 1.00 0.00 H new TER 981 GLY A 67