USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 388 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 39 GLN : amide:sc= -1.27 K(o=-1.3,f=-11!) USER MOD Set 1.2: A 43 MET CE :methyl 167:sc=-0.00712 (180deg=0) USER MOD Set 2.1: A 30 GLN :FLIP amide:sc= 0 X(o=-0.13,f=-0.12) USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= -0.118 F(o=-1.2,f=-0.12) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.269 F(o=-1.6,f=-0.27) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : A 23 SER OG : rot -40:sc= 0.385 USER MOD Single : A 24 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.4!) USER MOD Single : A 25 THR OG1 : rot 75:sc= 0.00964 USER MOD Single : A 27 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.2!) USER MOD Single : A 28 THR OG1 : rot -117:sc= 1.14 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -20.603 -2.864 4.695 1.00 0.00 N ATOM 37 CA LEU A 4 -19.759 -3.280 3.586 1.00 0.00 C ATOM 38 C LEU A 4 -20.298 -2.678 2.287 1.00 0.00 C ATOM 39 O LEU A 4 -19.525 -2.296 1.409 1.00 0.00 O ATOM 40 CB LEU A 4 -19.634 -4.805 3.552 1.00 0.00 C ATOM 41 CG LEU A 4 -18.220 -5.365 3.721 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.234 -6.642 4.565 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.551 -5.583 2.362 1.00 0.00 C ATOM 0 HA LEU A 4 -18.745 -2.902 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.264 -5.219 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.034 -5.162 2.603 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.623 -4.629 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.217 -7.020 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.643 -6.422 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.852 -7.395 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.547 -5.981 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.139 -6.290 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.490 -4.634 1.830 1.00 0.00 H new ATOM 54 N ILE A 5 -21.619 -2.612 2.205 1.00 0.00 N ATOM 55 CA ILE A 5 -22.269 -2.062 1.028 1.00 0.00 C ATOM 56 C ILE A 5 -21.933 -0.574 0.912 1.00 0.00 C ATOM 57 O ILE A 5 -21.801 -0.047 -0.191 1.00 0.00 O ATOM 58 CB ILE A 5 -23.771 -2.352 1.061 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.043 -3.781 1.535 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.415 -2.065 -0.296 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.110 -4.776 0.841 1.00 0.00 C ATOM 0 H ILE A 5 -22.257 -2.930 2.935 1.00 0.00 H new ATOM 0 HA ILE A 5 -21.894 -2.545 0.126 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.233 -1.680 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -23.907 -3.842 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.080 -4.045 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.482 -2.279 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.268 -1.016 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -23.955 -2.694 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.324 -5.784 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.266 -4.730 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.074 -4.524 1.069 1.00 0.00 H new ATOM 72 N GLN A 6 -21.803 0.061 2.068 1.00 0.00 N ATOM 73 CA GLN A 6 -21.484 1.479 2.110 1.00 0.00 C ATOM 74 C GLN A 6 -20.119 1.735 1.469 1.00 0.00 C ATOM 75 O GLN A 6 -19.999 2.560 0.564 1.00 0.00 O ATOM 76 CB GLN A 6 -21.524 2.007 3.546 1.00 0.00 C ATOM 77 CG GLN A 6 -22.910 2.554 3.891 1.00 0.00 C ATOM 78 CD GLN A 6 -22.806 3.763 4.822 1.00 0.00 C ATOM 79 OE1 GLN A 6 -22.126 4.784 4.310 1.00 0.00 O flip ATOM 80 NE2 GLN A 6 -23.312 3.768 5.934 1.00 0.00 N flip ATOM 0 H GLN A 6 -21.913 -0.379 2.982 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.239 2.019 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.262 1.207 4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.778 2.792 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.431 2.838 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.505 1.774 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -23.822 2.949 6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -23.225 4.591 6.530 1.00 0.00 H new ATOM 87 N VAL A 7 -19.123 1.013 1.963 1.00 0.00 N ATOM 88 CA VAL A 7 -17.771 1.153 1.450 1.00 0.00 C ATOM 89 C VAL A 7 -17.735 0.693 -0.010 1.00 0.00 C ATOM 90 O VAL A 7 -17.032 1.280 -0.832 1.00 0.00 O ATOM 91 CB VAL A 7 -16.791 0.388 2.341 1.00 0.00 C ATOM 92 CG1 VAL A 7 -17.222 -1.072 2.503 1.00 0.00 C ATOM 93 CG2 VAL A 7 -15.365 0.482 1.795 1.00 0.00 C ATOM 0 H VAL A 7 -19.226 0.329 2.713 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.461 2.198 1.471 1.00 0.00 H new ATOM 0 HB VAL A 7 -16.803 0.852 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.508 -1.593 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.212 -1.111 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.253 -1.553 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.689 -0.070 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.331 0.056 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.058 1.527 1.756 1.00 0.00 H new ATOM 103 N ARG A 8 -18.501 -0.351 -0.287 1.00 0.00 N ATOM 104 CA ARG A 8 -18.566 -0.895 -1.632 1.00 0.00 C ATOM 105 C ARG A 8 -19.234 0.104 -2.578 1.00 0.00 C ATOM 106 O ARG A 8 -18.680 0.442 -3.623 1.00 0.00 O ATOM 107 CB ARG A 8 -19.346 -2.211 -1.658 1.00 0.00 C ATOM 108 CG ARG A 8 -18.469 -3.379 -1.201 1.00 0.00 C ATOM 109 CD ARG A 8 -18.800 -4.652 -1.982 1.00 0.00 C ATOM 110 NE ARG A 8 -19.103 -5.756 -1.044 1.00 0.00 N ATOM 111 CZ ARG A 8 -19.597 -6.954 -1.420 1.00 0.00 C ATOM 112 NH1 ARG A 8 -19.849 -7.214 -2.720 1.00 0.00 N ATOM 113 NH2 ARG A 8 -19.831 -7.869 -0.497 1.00 0.00 N ATOM 0 H ARG A 8 -19.082 -0.835 0.397 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.544 -1.085 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.219 -2.133 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.713 -2.400 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.418 -3.126 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.616 -3.553 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.653 -4.475 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.960 -4.926 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.927 -5.602 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.666 -6.502 -3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.222 -8.122 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.638 -7.665 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.204 -8.780 -0.765 1.00 0.00 H new ATOM 123 N ASP A 9 -20.416 0.549 -2.179 1.00 0.00 N ATOM 124 CA ASP A 9 -21.167 1.504 -2.978 1.00 0.00 C ATOM 125 C ASP A 9 -20.301 2.740 -3.232 1.00 0.00 C ATOM 126 O ASP A 9 -20.179 3.193 -4.369 1.00 0.00 O ATOM 127 CB ASP A 9 -22.433 1.955 -2.249 1.00 0.00 C ATOM 128 CG ASP A 9 -23.491 2.611 -3.140 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.997 3.702 -2.834 1.00 0.00 O ATOM 130 OD2 ASP A 9 -23.799 1.946 -4.202 1.00 0.00 O ATOM 0 H ASP A 9 -20.873 0.266 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.444 1.019 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.879 1.091 -1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.152 2.658 -1.465 1.00 0.00 H new ATOM 135 N LEU A 10 -19.723 3.250 -2.154 1.00 0.00 N ATOM 136 CA LEU A 10 -18.874 4.426 -2.247 1.00 0.00 C ATOM 137 C LEU A 10 -17.685 4.120 -3.161 1.00 0.00 C ATOM 138 O LEU A 10 -17.369 4.902 -4.056 1.00 0.00 O ATOM 139 CB LEU A 10 -18.469 4.905 -0.851 1.00 0.00 C ATOM 140 CG LEU A 10 -19.250 6.101 -0.301 1.00 0.00 C ATOM 141 CD1 LEU A 10 -19.237 7.267 -1.291 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.672 5.695 0.088 1.00 0.00 C ATOM 0 H LEU A 10 -19.826 2.871 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.419 5.255 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.580 4.073 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.411 5.165 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.754 6.444 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.799 8.103 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.208 7.577 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.695 6.953 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.205 6.563 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.193 5.311 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.633 4.921 0.855 1.00 0.00 H new ATOM 153 N LEU A 11 -17.059 2.981 -2.903 1.00 0.00 N ATOM 154 CA LEU A 11 -15.912 2.563 -3.691 1.00 0.00 C ATOM 155 C LEU A 11 -16.293 2.558 -5.173 1.00 0.00 C ATOM 156 O LEU A 11 -15.442 2.772 -6.036 1.00 0.00 O ATOM 157 CB LEU A 11 -15.378 1.219 -3.189 1.00 0.00 C ATOM 158 CG LEU A 11 -14.257 1.289 -2.150 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.964 -0.094 -1.566 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.004 1.941 -2.740 1.00 0.00 C ATOM 0 H LEU A 11 -17.324 2.335 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.091 3.270 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.208 0.657 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.017 0.651 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.591 1.921 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.164 -0.016 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.862 -0.484 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.658 -0.769 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.222 1.979 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.656 1.356 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.241 2.953 -3.068 1.00 0.00 H new ATOM 171 N ALA A 12 -17.570 2.310 -5.423 1.00 0.00 N ATOM 172 CA ALA A 12 -18.072 2.275 -6.786 1.00 0.00 C ATOM 173 C ALA A 12 -18.461 3.690 -7.218 1.00 0.00 C ATOM 174 O ALA A 12 -17.973 4.191 -8.231 1.00 0.00 O ATOM 175 CB ALA A 12 -19.245 1.296 -6.873 1.00 0.00 C ATOM 0 H ALA A 12 -18.272 2.131 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.301 1.922 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.622 1.270 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -18.910 0.300 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.040 1.620 -6.202 1.00 0.00 H new ATOM 181 N LEU A 13 -19.337 4.295 -6.430 1.00 0.00 N ATOM 182 CA LEU A 13 -19.799 5.643 -6.719 1.00 0.00 C ATOM 183 C LEU A 13 -18.591 6.577 -6.833 1.00 0.00 C ATOM 184 O LEU A 13 -18.367 7.181 -7.880 1.00 0.00 O ATOM 185 CB LEU A 13 -20.827 6.092 -5.679 1.00 0.00 C ATOM 186 CG LEU A 13 -22.124 5.281 -5.624 1.00 0.00 C ATOM 187 CD1 LEU A 13 -23.142 5.939 -4.690 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.692 5.062 -7.028 1.00 0.00 C ATOM 0 H LEU A 13 -19.740 3.877 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.317 5.671 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.358 6.058 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -21.081 7.134 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.896 4.298 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -24.054 5.343 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.726 6.002 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.372 6.942 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.613 4.483 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.902 6.027 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -21.966 4.520 -7.634 1.00 0.00 H new ATOM 199 N ARG A 14 -17.846 6.665 -5.741 1.00 0.00 N ATOM 200 CA ARG A 14 -16.668 7.513 -5.705 1.00 0.00 C ATOM 201 C ARG A 14 -15.502 6.833 -6.423 1.00 0.00 C ATOM 202 O ARG A 14 -14.452 7.442 -6.624 1.00 0.00 O ATOM 203 CB ARG A 14 -16.258 7.828 -4.265 1.00 0.00 C ATOM 204 CG ARG A 14 -17.194 8.865 -3.642 1.00 0.00 C ATOM 205 CD ARG A 14 -18.639 8.639 -4.089 1.00 0.00 C ATOM 206 NE ARG A 14 -19.535 9.603 -3.412 1.00 0.00 N ATOM 207 CZ ARG A 14 -19.694 10.887 -3.796 1.00 0.00 C ATOM 208 NH1 ARG A 14 -19.017 11.374 -4.857 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.521 11.661 -3.117 1.00 0.00 N ATOM 0 H ARG A 14 -18.036 6.162 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.917 8.446 -6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.275 6.915 -3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.234 8.201 -4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.133 8.809 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.874 9.867 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.716 8.755 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.945 7.619 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.066 9.276 -2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.379 10.770 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.143 12.346 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -21.028 11.286 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.653 12.634 -3.394 1.00 0.00 H new ATOM 219 N GLY A 15 -15.724 5.581 -6.791 1.00 0.00 N ATOM 220 CA GLY A 15 -14.705 4.811 -7.482 1.00 0.00 C ATOM 221 C GLY A 15 -13.546 4.466 -6.544 1.00 0.00 C ATOM 222 O GLY A 15 -13.724 4.411 -5.328 1.00 0.00 O ATOM 0 H GLY A 15 -16.596 5.080 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.143 3.894 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.331 5.379 -8.334 1.00 0.00 H new ATOM 226 N ARG A 16 -12.387 4.243 -7.144 1.00 0.00 N ATOM 227 CA ARG A 16 -11.199 3.905 -6.377 1.00 0.00 C ATOM 228 C ARG A 16 -10.872 5.024 -5.385 1.00 0.00 C ATOM 229 O ARG A 16 -10.968 6.203 -5.720 1.00 0.00 O ATOM 230 CB ARG A 16 -9.996 3.679 -7.295 1.00 0.00 C ATOM 231 CG ARG A 16 -9.405 5.011 -7.762 1.00 0.00 C ATOM 232 CD ARG A 16 -10.409 5.785 -8.620 1.00 0.00 C ATOM 233 NE ARG A 16 -9.705 6.812 -9.420 1.00 0.00 N ATOM 234 CZ ARG A 16 -8.826 6.533 -10.405 1.00 0.00 C ATOM 235 NH1 ARG A 16 -8.534 5.253 -10.721 1.00 0.00 N ATOM 236 NH2 ARG A 16 -8.255 7.530 -11.055 1.00 0.00 N ATOM 0 H ARG A 16 -12.244 4.290 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.406 2.982 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.235 3.104 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.300 3.089 -8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.122 5.611 -6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.496 4.829 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.941 5.099 -9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.156 6.258 -7.983 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.896 7.792 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.979 4.488 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.868 5.051 -11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.480 8.494 -10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.588 7.336 -11.802 1.00 0.00 H new ATOM 246 N MET A 17 -10.494 4.614 -4.184 1.00 0.00 N ATOM 247 CA MET A 17 -10.153 5.566 -3.141 1.00 0.00 C ATOM 248 C MET A 17 -9.683 4.848 -1.874 1.00 0.00 C ATOM 249 O MET A 17 -9.990 3.674 -1.672 1.00 0.00 O ATOM 250 CB MET A 17 -11.375 6.427 -2.815 1.00 0.00 C ATOM 251 CG MET A 17 -11.008 7.557 -1.852 1.00 0.00 C ATOM 252 SD MET A 17 -9.789 8.625 -2.599 1.00 0.00 S ATOM 253 CE MET A 17 -10.860 9.790 -3.424 1.00 0.00 C ATOM 0 H MET A 17 -10.416 3.635 -3.909 1.00 0.00 H new ATOM 0 HA MET A 17 -9.340 6.195 -3.503 1.00 0.00 H new ATOM 0 HB2 MET A 17 -11.785 6.846 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.154 5.806 -2.373 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.898 8.131 -1.596 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.619 7.142 -0.923 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.256 10.533 -3.945 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.486 9.262 -4.143 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.492 10.287 -2.688 1.00 0.00 H new ATOM 261 N GLU A 18 -8.945 5.582 -1.055 1.00 0.00 N ATOM 262 CA GLU A 18 -8.429 5.029 0.187 1.00 0.00 C ATOM 263 C GLU A 18 -9.572 4.789 1.175 1.00 0.00 C ATOM 264 O GLU A 18 -10.603 5.456 1.112 1.00 0.00 O ATOM 265 CB GLU A 18 -7.364 5.944 0.793 1.00 0.00 C ATOM 266 CG GLU A 18 -7.960 7.298 1.185 1.00 0.00 C ATOM 267 CD GLU A 18 -7.324 8.432 0.380 1.00 0.00 C ATOM 268 OE1 GLU A 18 -7.979 9.011 -0.500 1.00 0.00 O ATOM 269 OE2 GLU A 18 -6.104 8.707 0.696 1.00 0.00 O ATOM 0 H GLU A 18 -8.692 6.555 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.956 4.072 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.927 5.468 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.557 6.092 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.037 7.288 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.806 7.472 2.250 1.00 0.00 H new ATOM 275 N ALA A 19 -9.350 3.833 2.066 1.00 0.00 N ATOM 276 CA ALA A 19 -10.348 3.496 3.066 1.00 0.00 C ATOM 277 C ALA A 19 -10.535 4.683 4.014 1.00 0.00 C ATOM 278 O ALA A 19 -11.654 4.980 4.429 1.00 0.00 O ATOM 279 CB ALA A 19 -9.924 2.223 3.803 1.00 0.00 C ATOM 0 H ALA A 19 -8.493 3.282 2.116 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.310 3.295 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.673 1.970 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.833 1.403 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.963 2.388 4.291 1.00 0.00 H new ATOM 285 N ALA A 20 -9.421 5.329 4.328 1.00 0.00 N ATOM 286 CA ALA A 20 -9.449 6.477 5.219 1.00 0.00 C ATOM 287 C ALA A 20 -10.592 7.407 4.811 1.00 0.00 C ATOM 288 O ALA A 20 -11.258 7.992 5.664 1.00 0.00 O ATOM 289 CB ALA A 20 -8.089 7.178 5.191 1.00 0.00 C ATOM 0 H ALA A 20 -8.495 5.080 3.982 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.632 6.161 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.110 8.039 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.315 6.484 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.872 7.511 4.176 1.00 0.00 H new ATOM 295 N GLN A 21 -10.787 7.516 3.505 1.00 0.00 N ATOM 296 CA GLN A 21 -11.838 8.366 2.972 1.00 0.00 C ATOM 297 C GLN A 21 -13.198 7.681 3.116 1.00 0.00 C ATOM 298 O GLN A 21 -14.145 8.274 3.630 1.00 0.00 O ATOM 299 CB GLN A 21 -11.561 8.733 1.512 1.00 0.00 C ATOM 300 CG GLN A 21 -10.805 10.059 1.414 1.00 0.00 C ATOM 301 CD GLN A 21 -11.751 11.204 1.049 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.507 11.977 0.137 1.00 0.00 O ATOM 303 NE2 GLN A 21 -12.840 11.269 1.808 1.00 0.00 N ATOM 0 H GLN A 21 -10.234 7.029 2.800 1.00 0.00 H new ATOM 0 HA GLN A 21 -11.856 9.292 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.979 7.942 1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.502 8.806 0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.317 10.275 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.019 9.979 0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.982 10.589 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.534 11.998 1.643 1.00 0.00 H new ATOM 310 N ILE A 22 -13.252 6.440 2.654 1.00 0.00 N ATOM 311 CA ILE A 22 -14.480 5.667 2.726 1.00 0.00 C ATOM 312 C ILE A 22 -14.960 5.613 4.178 1.00 0.00 C ATOM 313 O ILE A 22 -16.160 5.675 4.441 1.00 0.00 O ATOM 314 CB ILE A 22 -14.284 4.289 2.091 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.712 4.412 0.677 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.586 3.485 2.114 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.684 3.312 0.404 1.00 0.00 C ATOM 0 H ILE A 22 -12.465 5.951 2.228 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.268 6.149 2.148 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.555 3.740 2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.519 4.349 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.246 5.389 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.419 2.510 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.913 3.351 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.354 4.021 1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.293 3.422 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.866 3.393 1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.160 2.336 0.505 1.00 0.00 H new ATOM 328 N SER A 23 -13.998 5.499 5.081 1.00 0.00 N ATOM 329 CA SER A 23 -14.307 5.434 6.500 1.00 0.00 C ATOM 330 C SER A 23 -14.992 6.728 6.945 1.00 0.00 C ATOM 331 O SER A 23 -16.035 6.691 7.595 1.00 0.00 O ATOM 332 CB SER A 23 -13.044 5.190 7.328 1.00 0.00 C ATOM 333 OG SER A 23 -12.178 6.322 7.327 1.00 0.00 O ATOM 0 H SER A 23 -13.004 5.450 4.858 1.00 0.00 H new ATOM 0 HA SER A 23 -14.984 4.596 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.324 4.948 8.353 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.511 4.326 6.931 1.00 0.00 H new ATOM 0 HG SER A 23 -12.165 6.723 6.433 1.00 0.00 H new ATOM 338 N GLN A 24 -14.376 7.843 6.576 1.00 0.00 N ATOM 339 CA GLN A 24 -14.914 9.147 6.928 1.00 0.00 C ATOM 340 C GLN A 24 -16.349 9.285 6.417 1.00 0.00 C ATOM 341 O GLN A 24 -17.225 9.761 7.137 1.00 0.00 O ATOM 342 CB GLN A 24 -14.027 10.270 6.387 1.00 0.00 C ATOM 343 CG GLN A 24 -13.217 10.919 7.511 1.00 0.00 C ATOM 344 CD GLN A 24 -13.698 12.345 7.780 1.00 0.00 C ATOM 345 OE1 GLN A 24 -14.338 12.979 6.957 1.00 0.00 O ATOM 346 NE2 GLN A 24 -13.355 12.814 8.977 1.00 0.00 N ATOM 0 H GLN A 24 -13.510 7.870 6.037 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.928 9.232 8.015 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.351 9.872 5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.645 11.023 5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.307 10.324 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.161 10.932 7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.818 12.230 9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.629 13.757 9.253 1.00 0.00 H new ATOM 353 N THR A 25 -16.545 8.861 5.177 1.00 0.00 N ATOM 354 CA THR A 25 -17.858 8.931 4.560 1.00 0.00 C ATOM 355 C THR A 25 -18.932 8.442 5.534 1.00 0.00 C ATOM 356 O THR A 25 -19.975 9.076 5.684 1.00 0.00 O ATOM 357 CB THR A 25 -17.812 8.134 3.255 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.085 8.973 2.361 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.189 7.998 2.603 1.00 0.00 C ATOM 0 H THR A 25 -15.815 8.467 4.583 1.00 0.00 H new ATOM 0 HA THR A 25 -18.127 9.959 4.319 1.00 0.00 H new ATOM 0 HB THR A 25 -17.404 7.142 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.132 8.945 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.100 7.424 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.866 7.484 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.584 8.988 2.377 1.00 0.00 H new ATOM 367 N LEU A 26 -18.638 7.317 6.170 1.00 0.00 N ATOM 368 CA LEU A 26 -19.566 6.735 7.125 1.00 0.00 C ATOM 369 C LEU A 26 -19.062 7.001 8.545 1.00 0.00 C ATOM 370 O LEU A 26 -19.296 6.201 9.451 1.00 0.00 O ATOM 371 CB LEU A 26 -19.789 5.252 6.820 1.00 0.00 C ATOM 372 CG LEU A 26 -18.639 4.532 6.114 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.638 3.040 6.450 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.680 4.780 4.605 1.00 0.00 C ATOM 0 H LEU A 26 -17.772 6.794 6.043 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.546 7.205 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.994 4.735 7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.683 5.159 6.203 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.700 4.946 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.811 2.552 5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.524 2.909 7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.579 2.594 6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.851 4.257 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.623 4.411 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.595 5.849 4.410 1.00 0.00 H new ATOM 385 N ASN A 27 -18.381 8.127 8.697 1.00 0.00 N ATOM 386 CA ASN A 27 -17.843 8.508 9.991 1.00 0.00 C ATOM 387 C ASN A 27 -17.305 7.264 10.701 1.00 0.00 C ATOM 388 O ASN A 27 -17.321 7.191 11.929 1.00 0.00 O ATOM 389 CB ASN A 27 -18.925 9.127 10.877 1.00 0.00 C ATOM 390 CG ASN A 27 -18.333 10.187 11.808 1.00 0.00 C ATOM 391 OD1 ASN A 27 -17.272 10.740 11.566 1.00 0.00 O ATOM 392 ND2 ASN A 27 -19.073 10.437 12.884 1.00 0.00 N ATOM 0 H ASN A 27 -18.189 8.788 7.944 1.00 0.00 H new ATOM 0 HA ASN A 27 -17.052 9.239 9.825 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.697 9.577 10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -19.406 8.347 11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.762 11.128 13.567 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.951 9.938 13.026 1.00 0.00 H new ATOM 398 N THR A 28 -16.841 6.318 9.899 1.00 0.00 N ATOM 399 CA THR A 28 -16.299 5.081 10.435 1.00 0.00 C ATOM 400 C THR A 28 -14.813 5.246 10.761 1.00 0.00 C ATOM 401 O THR A 28 -14.121 6.044 10.131 1.00 0.00 O ATOM 402 CB THR A 28 -16.579 3.965 9.426 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.503 3.113 10.099 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.359 3.075 9.183 1.00 0.00 C ATOM 0 H THR A 28 -16.829 6.383 8.881 1.00 0.00 H new ATOM 0 HA THR A 28 -16.779 4.815 11.377 1.00 0.00 H new ATOM 0 HB THR A 28 -16.902 4.402 8.481 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.099 2.230 10.229 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.612 2.300 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.539 3.680 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.055 2.610 10.121 1.00 0.00 H new ATOM 412 N PRO A 29 -14.356 4.459 11.771 1.00 0.00 N ATOM 413 CA PRO A 29 -12.965 4.511 12.188 1.00 0.00 C ATOM 414 C PRO A 29 -12.062 3.800 11.177 1.00 0.00 C ATOM 415 O PRO A 29 -12.364 2.688 10.746 1.00 0.00 O ATOM 416 CB PRO A 29 -12.942 3.864 13.563 1.00 0.00 C ATOM 417 CG PRO A 29 -14.228 3.061 13.667 1.00 0.00 C ATOM 418 CD PRO A 29 -15.146 3.502 12.540 1.00 0.00 C ATOM 0 HA PRO A 29 -12.578 5.529 12.235 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.070 3.221 13.677 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.888 4.618 14.349 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.019 1.994 13.593 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.704 3.226 14.634 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.452 2.656 11.925 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -16.056 3.960 12.927 1.00 0.00 H new ATOM 423 N GLN A 30 -10.973 4.470 10.831 1.00 0.00 N ATOM 424 CA GLN A 30 -10.025 3.916 9.879 1.00 0.00 C ATOM 425 C GLN A 30 -9.868 2.409 10.101 1.00 0.00 C ATOM 426 O GLN A 30 -10.009 1.622 9.167 1.00 0.00 O ATOM 427 CB GLN A 30 -8.674 4.627 9.973 1.00 0.00 C ATOM 428 CG GLN A 30 -8.175 5.042 8.588 1.00 0.00 C ATOM 429 CD GLN A 30 -7.573 3.850 7.842 1.00 0.00 C ATOM 430 OE1 GLN A 30 -8.311 3.420 6.824 1.00 0.00 O flip ATOM 431 NE2 GLN A 30 -6.507 3.355 8.169 1.00 0.00 N flip ATOM 0 H GLN A 30 -10.726 5.391 11.193 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.414 4.077 8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.766 5.507 10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.944 3.968 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.000 5.458 8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.427 5.829 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.990 3.735 8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.132 2.561 7.649 1.00 0.00 H new ATOM 438 N PRO A 31 -9.571 2.045 11.378 1.00 0.00 N ATOM 439 CA PRO A 31 -9.394 0.648 11.735 1.00 0.00 C ATOM 440 C PRO A 31 -10.741 -0.076 11.805 1.00 0.00 C ATOM 441 O PRO A 31 -11.065 -0.693 12.818 1.00 0.00 O ATOM 442 CB PRO A 31 -8.663 0.672 13.067 1.00 0.00 C ATOM 443 CG PRO A 31 -8.868 2.069 13.630 1.00 0.00 C ATOM 444 CD PRO A 31 -9.397 2.950 12.510 1.00 0.00 C ATOM 0 HA PRO A 31 -8.822 0.093 10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.060 -0.084 13.744 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.603 0.456 12.935 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.572 2.046 14.462 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.930 2.466 14.017 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.339 3.422 12.789 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.697 3.751 12.272 1.00 0.00 H new ATOM 449 N MET A 32 -11.487 0.025 10.716 1.00 0.00 N ATOM 450 CA MET A 32 -12.792 -0.612 10.641 1.00 0.00 C ATOM 451 C MET A 32 -13.077 -1.111 9.223 1.00 0.00 C ATOM 452 O MET A 32 -13.526 -2.242 9.039 1.00 0.00 O ATOM 453 CB MET A 32 -13.873 0.387 11.058 1.00 0.00 C ATOM 454 CG MET A 32 -15.088 -0.333 11.644 1.00 0.00 C ATOM 455 SD MET A 32 -16.557 0.104 10.728 1.00 0.00 S ATOM 456 CE MET A 32 -17.790 -0.756 11.690 1.00 0.00 C ATOM 0 H MET A 32 -11.214 0.538 9.878 1.00 0.00 H new ATOM 0 HA MET A 32 -12.797 -1.468 11.316 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.467 1.081 11.794 1.00 0.00 H new ATOM 0 HB3 MET A 32 -14.178 0.979 10.195 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.934 -1.412 11.608 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.210 -0.063 12.693 1.00 0.00 H new ATOM 0 HE1 MET A 32 -18.774 -0.589 11.253 1.00 0.00 H new ATOM 0 HE2 MET A 32 -17.571 -1.824 11.692 1.00 0.00 H new ATOM 0 HE3 MET A 32 -17.779 -0.382 12.714 1.00 0.00 H new ATOM 464 N ILE A 33 -12.806 -0.245 8.259 1.00 0.00 N ATOM 465 CA ILE A 33 -13.028 -0.585 6.864 1.00 0.00 C ATOM 466 C ILE A 33 -11.910 -1.512 6.384 1.00 0.00 C ATOM 467 O ILE A 33 -12.156 -2.444 5.621 1.00 0.00 O ATOM 468 CB ILE A 33 -13.179 0.684 6.021 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.291 1.579 6.571 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.397 0.339 4.547 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.667 0.957 6.326 1.00 0.00 C ATOM 0 H ILE A 33 -12.435 0.692 8.416 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.965 -1.130 6.750 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.250 1.250 6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.143 1.734 7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.242 2.559 6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.501 1.258 3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.543 -0.228 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -14.302 -0.259 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.440 1.613 6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.822 0.826 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.722 -0.012 6.822 1.00 0.00 H new ATOM 482 N ASN A 34 -10.704 -1.224 6.853 1.00 0.00 N ATOM 483 CA ASN A 34 -9.547 -2.021 6.482 1.00 0.00 C ATOM 484 C ASN A 34 -9.845 -3.498 6.746 1.00 0.00 C ATOM 485 O ASN A 34 -9.441 -4.364 5.971 1.00 0.00 O ATOM 486 CB ASN A 34 -8.321 -1.630 7.310 1.00 0.00 C ATOM 487 CG ASN A 34 -7.733 -0.304 6.826 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.555 0.593 7.793 1.00 0.00 O flip ATOM 489 ND2 ASN A 34 -7.459 -0.107 5.654 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.504 -0.450 7.486 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.340 -1.845 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.599 -1.547 8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.566 -2.413 7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.621 -0.839 4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.068 0.790 5.365 1.00 0.00 H new ATOM 495 N ALA A 35 -10.549 -3.741 7.841 1.00 0.00 N ATOM 496 CA ALA A 35 -10.906 -5.098 8.216 1.00 0.00 C ATOM 497 C ALA A 35 -11.749 -5.726 7.105 1.00 0.00 C ATOM 498 O ALA A 35 -11.512 -6.865 6.708 1.00 0.00 O ATOM 499 CB ALA A 35 -11.634 -5.082 9.562 1.00 0.00 C ATOM 0 H ALA A 35 -10.882 -3.020 8.481 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.012 -5.710 8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.902 -6.101 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.981 -4.655 10.324 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.538 -4.479 9.479 1.00 0.00 H new ATOM 505 N MET A 36 -12.718 -4.953 6.634 1.00 0.00 N ATOM 506 CA MET A 36 -13.598 -5.419 5.576 1.00 0.00 C ATOM 507 C MET A 36 -12.828 -5.613 4.267 1.00 0.00 C ATOM 508 O MET A 36 -12.945 -6.654 3.623 1.00 0.00 O ATOM 509 CB MET A 36 -14.721 -4.402 5.361 1.00 0.00 C ATOM 510 CG MET A 36 -15.277 -3.909 6.699 1.00 0.00 C ATOM 511 SD MET A 36 -17.022 -4.269 6.805 1.00 0.00 S ATOM 512 CE MET A 36 -17.611 -2.741 7.514 1.00 0.00 C ATOM 0 H MET A 36 -12.912 -4.008 6.966 1.00 0.00 H new ATOM 0 HA MET A 36 -14.017 -6.380 5.875 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.345 -3.556 4.785 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.521 -4.856 4.776 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.748 -4.390 7.522 1.00 0.00 H new ATOM 0 HG3 MET A 36 -15.112 -2.836 6.798 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.691 -2.795 7.649 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.133 -2.580 8.480 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.369 -1.913 6.847 1.00 0.00 H new ATOM 520 N LEU A 37 -12.059 -4.593 3.914 1.00 0.00 N ATOM 521 CA LEU A 37 -11.270 -4.638 2.695 1.00 0.00 C ATOM 522 C LEU A 37 -10.361 -5.869 2.726 1.00 0.00 C ATOM 523 O LEU A 37 -10.127 -6.498 1.696 1.00 0.00 O ATOM 524 CB LEU A 37 -10.517 -3.323 2.495 1.00 0.00 C ATOM 525 CG LEU A 37 -11.377 -2.102 2.160 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.645 -0.804 2.508 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.827 -2.132 0.698 1.00 0.00 C ATOM 0 H LEU A 37 -11.966 -3.731 4.451 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.919 -4.742 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.954 -3.108 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.790 -3.461 1.695 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.277 -2.139 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.278 0.048 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.417 -0.789 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.718 -0.745 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.436 -1.253 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.952 -2.132 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.414 -3.033 0.516 1.00 0.00 H new ATOM 538 N GLN A 38 -9.873 -6.175 3.920 1.00 0.00 N ATOM 539 CA GLN A 38 -8.995 -7.318 4.098 1.00 0.00 C ATOM 540 C GLN A 38 -9.727 -8.612 3.735 1.00 0.00 C ATOM 541 O GLN A 38 -9.133 -9.527 3.167 1.00 0.00 O ATOM 542 CB GLN A 38 -8.454 -7.376 5.529 1.00 0.00 C ATOM 543 CG GLN A 38 -6.945 -7.623 5.535 1.00 0.00 C ATOM 544 CD GLN A 38 -6.606 -8.933 6.248 1.00 0.00 C ATOM 545 OE1 GLN A 38 -7.245 -9.955 6.060 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.567 -8.846 7.074 1.00 0.00 N ATOM 0 H GLN A 38 -10.069 -5.651 4.773 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.143 -7.206 3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.675 -6.441 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.958 -8.170 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.574 -7.656 4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.439 -6.794 6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.076 -7.959 7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.261 -9.667 7.597 1.00 0.00 H new ATOM 553 N GLN A 39 -11.005 -8.646 4.079 1.00 0.00 N ATOM 554 CA GLN A 39 -11.825 -9.813 3.796 1.00 0.00 C ATOM 555 C GLN A 39 -12.099 -9.917 2.294 1.00 0.00 C ATOM 556 O GLN A 39 -11.983 -10.995 1.712 1.00 0.00 O ATOM 557 CB GLN A 39 -13.132 -9.770 4.591 1.00 0.00 C ATOM 558 CG GLN A 39 -13.437 -11.132 5.217 1.00 0.00 C ATOM 559 CD GLN A 39 -14.272 -11.997 4.271 1.00 0.00 C ATOM 560 OE1 GLN A 39 -14.019 -12.082 3.080 1.00 0.00 O ATOM 561 NE2 GLN A 39 -15.279 -12.631 4.864 1.00 0.00 N ATOM 0 H GLN A 39 -11.494 -7.885 4.551 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.278 -10.703 4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.062 -9.014 5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.951 -9.475 3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.504 -11.644 5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.973 -10.993 6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.435 -12.516 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.896 -13.232 4.318 1.00 0.00 H new ATOM 568 N LEU A 40 -12.459 -8.784 1.711 1.00 0.00 N ATOM 569 CA LEU A 40 -12.751 -8.734 0.288 1.00 0.00 C ATOM 570 C LEU A 40 -11.506 -9.149 -0.499 1.00 0.00 C ATOM 571 O LEU A 40 -11.603 -9.889 -1.476 1.00 0.00 O ATOM 572 CB LEU A 40 -13.294 -7.357 -0.100 1.00 0.00 C ATOM 573 CG LEU A 40 -14.563 -6.908 0.624 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.736 -5.390 0.538 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.789 -7.656 0.097 1.00 0.00 C ATOM 0 H LEU A 40 -12.555 -7.893 2.198 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.539 -9.444 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.515 -6.617 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.491 -7.355 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.461 -7.161 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.646 -5.097 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.879 -4.899 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.806 -5.090 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.678 -7.318 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.906 -7.458 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.658 -8.727 0.254 1.00 0.00 H new ATOM 586 N GLU A 41 -10.365 -8.656 -0.041 1.00 0.00 N ATOM 587 CA GLU A 41 -9.102 -8.966 -0.690 1.00 0.00 C ATOM 588 C GLU A 41 -8.893 -10.480 -0.749 1.00 0.00 C ATOM 589 O GLU A 41 -8.601 -11.029 -1.810 1.00 0.00 O ATOM 590 CB GLU A 41 -7.936 -8.278 0.024 1.00 0.00 C ATOM 591 CG GLU A 41 -6.609 -8.584 -0.676 1.00 0.00 C ATOM 592 CD GLU A 41 -5.560 -9.069 0.327 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.854 -9.944 1.158 1.00 0.00 O ATOM 594 OE2 GLU A 41 -4.404 -8.507 0.222 1.00 0.00 O ATOM 0 H GLU A 41 -10.288 -8.044 0.772 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.136 -8.584 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.101 -7.201 0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.891 -8.613 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.764 -9.344 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.247 -7.690 -1.183 1.00 0.00 H new ATOM 600 N SER A 42 -9.052 -11.113 0.405 1.00 0.00 N ATOM 601 CA SER A 42 -8.885 -12.553 0.498 1.00 0.00 C ATOM 602 C SER A 42 -9.778 -13.251 -0.529 1.00 0.00 C ATOM 603 O SER A 42 -9.304 -14.072 -1.313 1.00 0.00 O ATOM 604 CB SER A 42 -9.206 -13.054 1.907 1.00 0.00 C ATOM 605 OG SER A 42 -8.601 -14.316 2.176 1.00 0.00 O ATOM 0 H SER A 42 -9.295 -10.654 1.283 1.00 0.00 H new ATOM 0 HA SER A 42 -7.843 -12.791 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.861 -12.323 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.286 -13.138 2.025 1.00 0.00 H new ATOM 0 HG SER A 42 -8.828 -14.601 3.086 1.00 0.00 H new ATOM 610 N MET A 43 -11.054 -12.898 -0.494 1.00 0.00 N ATOM 611 CA MET A 43 -12.019 -13.480 -1.412 1.00 0.00 C ATOM 612 C MET A 43 -11.636 -13.191 -2.866 1.00 0.00 C ATOM 613 O MET A 43 -11.666 -14.084 -3.709 1.00 0.00 O ATOM 614 CB MET A 43 -13.407 -12.906 -1.126 1.00 0.00 C ATOM 615 CG MET A 43 -14.000 -13.514 0.147 1.00 0.00 C ATOM 616 SD MET A 43 -15.731 -13.879 -0.099 1.00 0.00 S ATOM 617 CE MET A 43 -16.430 -13.011 1.297 1.00 0.00 C ATOM 0 H MET A 43 -11.443 -12.215 0.156 1.00 0.00 H new ATOM 0 HA MET A 43 -12.026 -14.560 -1.265 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.342 -11.823 -1.020 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.068 -13.104 -1.970 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.462 -14.425 0.410 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.881 -12.822 0.980 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.511 -12.937 1.175 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.205 -13.556 2.214 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.002 -12.010 1.355 1.00 0.00 H new ATOM 625 N GLY A 44 -11.283 -11.938 -3.112 1.00 0.00 N ATOM 626 CA GLY A 44 -10.895 -11.519 -4.448 1.00 0.00 C ATOM 627 C GLY A 44 -12.054 -10.821 -5.163 1.00 0.00 C ATOM 628 O GLY A 44 -12.330 -11.104 -6.328 1.00 0.00 O ATOM 0 H GLY A 44 -11.258 -11.199 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.041 -10.844 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.576 -12.386 -5.026 1.00 0.00 H new ATOM 632 N LYS A 45 -12.702 -9.923 -4.435 1.00 0.00 N ATOM 633 CA LYS A 45 -13.825 -9.183 -4.985 1.00 0.00 C ATOM 634 C LYS A 45 -13.346 -7.805 -5.444 1.00 0.00 C ATOM 635 O LYS A 45 -13.632 -7.387 -6.566 1.00 0.00 O ATOM 636 CB LYS A 45 -14.976 -9.130 -3.979 1.00 0.00 C ATOM 637 CG LYS A 45 -15.074 -10.436 -3.187 1.00 0.00 C ATOM 638 CD LYS A 45 -15.875 -11.486 -3.959 1.00 0.00 C ATOM 639 CE LYS A 45 -16.722 -12.335 -3.011 1.00 0.00 C ATOM 640 NZ LYS A 45 -17.847 -12.963 -3.740 1.00 0.00 N ATOM 0 H LYS A 45 -12.471 -9.691 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.223 -9.692 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.826 -8.296 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.914 -8.948 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.074 -10.816 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.548 -10.247 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.520 -10.994 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.195 -12.128 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.103 -13.106 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.107 -11.713 -2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.411 -13.536 -3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.447 -12.223 -4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.474 -13.572 -4.496 1.00 0.00 H new ATOM 649 N ALA A 46 -12.626 -7.136 -4.555 1.00 0.00 N ATOM 650 CA ALA A 46 -12.104 -5.814 -4.856 1.00 0.00 C ATOM 651 C ALA A 46 -10.699 -5.946 -5.446 1.00 0.00 C ATOM 652 O ALA A 46 -10.158 -7.048 -5.528 1.00 0.00 O ATOM 653 CB ALA A 46 -12.127 -4.957 -3.588 1.00 0.00 C ATOM 0 H ALA A 46 -12.392 -7.485 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.726 -5.315 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.736 -3.965 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.152 -4.870 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.510 -5.425 -2.821 1.00 0.00 H new ATOM 659 N VAL A 47 -10.149 -4.808 -5.841 1.00 0.00 N ATOM 660 CA VAL A 47 -8.817 -4.783 -6.422 1.00 0.00 C ATOM 661 C VAL A 47 -7.993 -3.684 -5.748 1.00 0.00 C ATOM 662 O VAL A 47 -8.546 -2.706 -5.248 1.00 0.00 O ATOM 663 CB VAL A 47 -8.911 -4.614 -7.940 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.771 -5.717 -8.562 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.445 -3.229 -8.306 1.00 0.00 C ATOM 0 H VAL A 47 -10.601 -3.896 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.305 -5.729 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.905 -4.703 -8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.822 -5.574 -9.641 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.328 -6.689 -8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.776 -5.675 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.502 -3.136 -9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.439 -3.097 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.776 -2.465 -7.911 1.00 0.00 H new ATOM 675 N ARG A 48 -6.683 -3.881 -5.757 1.00 0.00 N ATOM 676 CA ARG A 48 -5.776 -2.920 -5.153 1.00 0.00 C ATOM 677 C ARG A 48 -5.420 -1.822 -6.159 1.00 0.00 C ATOM 678 O ARG A 48 -5.198 -2.102 -7.336 1.00 0.00 O ATOM 679 CB ARG A 48 -4.492 -3.599 -4.674 1.00 0.00 C ATOM 680 CG ARG A 48 -4.596 -3.987 -3.198 1.00 0.00 C ATOM 681 CD ARG A 48 -3.581 -3.212 -2.354 1.00 0.00 C ATOM 682 NE ARG A 48 -3.429 -3.854 -1.029 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.361 -3.678 -0.221 1.00 0.00 C ATOM 684 NH1 ARG A 48 -1.342 -2.878 -0.597 1.00 0.00 N ATOM 685 NH2 ARG A 48 -2.331 -4.301 0.943 1.00 0.00 N ATOM 0 H ARG A 48 -6.228 -4.693 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.283 -2.481 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.300 -4.488 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.645 -2.928 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.604 -3.786 -2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.425 -5.058 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.619 -3.181 -2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.910 -2.180 -2.232 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.177 -4.467 -0.706 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.374 -2.400 -1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.539 -2.751 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.106 -4.903 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.532 -4.180 1.566 1.00 0.00 H new ATOM 695 N ILE A 49 -5.377 -0.596 -5.658 1.00 0.00 N ATOM 696 CA ILE A 49 -5.053 0.544 -6.497 1.00 0.00 C ATOM 697 C ILE A 49 -3.763 1.194 -5.990 1.00 0.00 C ATOM 698 O ILE A 49 -3.450 1.116 -4.804 1.00 0.00 O ATOM 699 CB ILE A 49 -6.238 1.509 -6.574 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.419 0.867 -7.305 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.824 2.837 -7.209 1.00 0.00 C ATOM 702 CD1 ILE A 49 -7.311 1.082 -8.816 1.00 0.00 C ATOM 0 H ILE A 49 -5.561 -0.368 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.868 0.222 -7.522 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.567 1.728 -5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.449 -0.201 -7.087 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.353 1.293 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.685 3.504 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.038 3.297 -6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.454 2.658 -8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.163 0.616 -9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.306 2.150 -9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.388 0.633 -9.182 1.00 0.00 H new ATOM 713 N GLN A 50 -3.050 1.820 -6.916 1.00 0.00 N ATOM 714 CA GLN A 50 -1.803 2.482 -6.577 1.00 0.00 C ATOM 715 C GLN A 50 -1.961 4.001 -6.685 1.00 0.00 C ATOM 716 O GLN A 50 -2.782 4.489 -7.460 1.00 0.00 O ATOM 717 CB GLN A 50 -0.660 1.987 -7.466 1.00 0.00 C ATOM 718 CG GLN A 50 0.607 2.813 -7.240 1.00 0.00 C ATOM 719 CD GLN A 50 1.851 2.041 -7.687 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.364 2.217 -8.780 1.00 0.00 O ATOM 721 NE2 GLN A 50 2.307 1.179 -6.781 1.00 0.00 N ATOM 0 H GLN A 50 -3.313 1.882 -7.900 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.552 2.234 -5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.457 0.937 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.956 2.048 -8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.538 3.750 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.694 3.071 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.830 1.081 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.134 0.617 -6.983 1.00 0.00 H new ATOM 728 N GLU A 51 -1.164 4.705 -5.895 1.00 0.00 N ATOM 729 CA GLU A 51 -1.206 6.157 -5.893 1.00 0.00 C ATOM 730 C GLU A 51 -0.157 6.721 -6.853 1.00 0.00 C ATOM 731 O GLU A 51 0.695 5.985 -7.349 1.00 0.00 O ATOM 732 CB GLU A 51 -1.007 6.708 -4.479 1.00 0.00 C ATOM 733 CG GLU A 51 -2.185 7.592 -4.064 1.00 0.00 C ATOM 734 CD GLU A 51 -1.726 8.716 -3.132 1.00 0.00 C ATOM 735 OE1 GLU A 51 -1.569 8.492 -1.922 1.00 0.00 O ATOM 736 OE2 GLU A 51 -1.529 9.855 -3.705 1.00 0.00 O ATOM 0 H GLU A 51 -0.486 4.297 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.191 6.473 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.901 5.883 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.083 7.284 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.654 8.019 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.941 6.986 -3.564 1.00 0.00 H new ATOM 975 N ARG A 72 0.971 4.670 -0.571 1.00 0.00 N ATOM 976 CA ARG A 72 -0.358 4.510 -0.005 1.00 0.00 C ATOM 977 C ARG A 72 -1.298 3.874 -1.030 1.00 0.00 C ATOM 978 O ARG A 72 -1.954 4.576 -1.798 1.00 0.00 O ATOM 979 CB ARG A 72 -0.935 5.857 0.438 1.00 0.00 C ATOM 980 CG ARG A 72 -0.691 6.093 1.929 1.00 0.00 C ATOM 981 CD ARG A 72 -1.972 6.556 2.627 1.00 0.00 C ATOM 982 NE ARG A 72 -2.246 5.698 3.802 1.00 0.00 N ATOM 983 CZ ARG A 72 -3.307 5.854 4.621 1.00 0.00 C ATOM 984 NH1 ARG A 72 -4.206 6.837 4.400 1.00 0.00 N ATOM 985 NH2 ARG A 72 -3.455 5.030 5.642 1.00 0.00 N ATOM 0 HA ARG A 72 -0.271 3.861 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.479 6.660 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.005 5.884 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.332 5.174 2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.090 6.842 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.870 7.595 2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.811 6.514 1.932 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.592 4.942 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.086 7.469 3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.005 6.947 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.773 4.289 5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.252 5.135 6.270 1.00 0.00 H new ATOM 995 N GLU A 73 -1.335 2.549 -1.011 1.00 0.00 N ATOM 996 CA GLU A 73 -2.183 1.809 -1.929 1.00 0.00 C ATOM 997 C GLU A 73 -3.654 2.155 -1.686 1.00 0.00 C ATOM 998 O GLU A 73 -4.073 2.335 -0.544 1.00 0.00 O ATOM 999 CB GLU A 73 -1.946 0.303 -1.804 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.524 -0.065 -2.234 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.519 -0.687 -3.632 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -1.119 -0.128 -4.562 1.00 0.00 O ATOM 1003 OE2 GLU A 73 0.140 -1.791 -3.735 1.00 0.00 O ATOM 0 H GLU A 73 -0.790 1.969 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.924 2.099 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.111 -0.011 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.667 -0.235 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.104 0.826 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.093 -0.766 -1.519 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.398 2.236 -2.780 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.813 2.556 -2.701 1.00 0.00 C ATOM 1011 C TRP A 74 -6.602 1.259 -2.892 1.00 0.00 C ATOM 1012 O TRP A 74 -6.031 0.226 -3.239 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.188 3.640 -3.714 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.885 5.063 -3.243 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.618 5.481 -1.998 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.829 6.248 -4.066 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.395 6.843 -1.959 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.528 7.324 -3.256 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.027 6.404 -5.449 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.397 8.632 -3.737 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -5.893 7.718 -5.914 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.590 8.812 -5.112 1.00 0.00 C ATOM 0 H TRP A 74 -4.047 2.085 -3.726 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.060 2.973 -1.725 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.652 3.454 -4.645 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.252 3.561 -3.938 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.582 4.834 -1.134 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.173 7.395 -1.130 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.264 5.576 -6.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.160 9.458 -3.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.035 7.894 -6.970 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.504 9.797 -5.548 1.00 0.00 H new ATOM 1032 N TRP A 75 -7.903 1.356 -2.660 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.777 0.204 -2.802 1.00 0.00 C ATOM 1034 C TRP A 75 -9.893 0.575 -3.779 1.00 0.00 C ATOM 1035 O TRP A 75 -10.300 1.735 -3.851 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.301 -0.257 -1.441 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.223 -0.835 -0.522 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.512 -0.197 0.417 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.761 -2.203 -0.491 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.628 -1.050 1.048 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.785 -2.307 0.479 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.155 -3.313 -1.258 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.120 -3.504 0.771 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.482 -4.502 -0.953 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.497 -4.625 0.020 1.00 0.00 C ATOM 0 H TRP A 75 -8.373 2.215 -2.375 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.230 -0.648 -3.206 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.776 0.587 -0.941 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.073 -1.010 -1.597 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.617 0.852 0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -5.979 -0.802 1.795 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.916 -3.253 -2.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.358 -3.560 1.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.747 -5.386 -1.513 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.025 -5.580 0.196 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.359 -0.429 -4.505 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.421 -0.222 -5.475 1.00 0.00 C ATOM 1057 C ALA A 76 -12.151 -1.546 -5.716 1.00 0.00 C ATOM 1058 O ALA A 76 -11.788 -2.572 -5.144 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.833 0.361 -6.762 1.00 0.00 C ATOM 0 H ALA A 76 -10.021 -1.389 -4.441 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.151 0.494 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.630 0.516 -7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.352 1.314 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.098 -0.331 -7.172 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.166 -1.479 -6.565 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.950 -2.659 -6.888 1.00 0.00 C ATOM 1067 C LEU A 77 -13.451 -3.251 -8.208 1.00 0.00 C ATOM 1068 O LEU A 77 -12.871 -2.544 -9.030 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.443 -2.327 -6.890 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.922 -1.390 -5.778 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.338 -0.884 -6.061 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.819 -2.065 -4.410 1.00 0.00 C ATOM 0 H LEU A 77 -13.463 -0.626 -7.039 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.818 -3.425 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.694 -1.877 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.003 -3.260 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.266 -0.520 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.655 -0.220 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.348 -0.340 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.021 -1.731 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.165 -1.378 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.437 -2.963 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.781 -2.336 -4.215 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.696 -4.543 -8.370 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.278 -5.238 -9.576 1.00 0.00 C ATOM 1085 C ARG A 78 -14.112 -4.775 -10.771 1.00 0.00 C ATOM 1086 O ARG A 78 -15.150 -4.139 -10.598 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.426 -6.753 -9.417 1.00 0.00 C ATOM 1088 CG ARG A 78 -13.098 -7.476 -10.724 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.590 -7.486 -10.983 1.00 0.00 C ATOM 1090 NE ARG A 78 -11.301 -8.153 -12.273 1.00 0.00 N ATOM 1091 CZ ARG A 78 -11.425 -7.554 -13.477 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -11.833 -6.271 -13.567 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -11.141 -8.245 -14.566 1.00 0.00 N ATOM 0 H ARG A 78 -14.178 -5.127 -7.687 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.228 -5.002 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.764 -7.106 -8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.444 -6.992 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.470 -8.500 -10.680 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.609 -6.986 -11.553 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.209 -6.465 -10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.077 -8.005 -10.173 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.989 -9.124 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.051 -5.745 -12.721 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.923 -5.828 -14.481 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.834 -9.215 -14.489 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.229 -7.809 -15.484 1.00 0.00 H new