USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 18 THR OG1 : rot -52:sc= 1.2 USER MOD Set 1.2: A 21 THR OG1 : rot 180:sc= 1.13 USER MOD Set 2.1: A 6 TYR OH : rot -126:sc= 1.4 USER MOD Set 2.2: A 83 GLN : amide:sc= -1.36 X(o=0.037,f=0.36) USER MOD Single : A 0 GLY N :NH3+ 157:sc= 1.02 (180deg=0.0852!) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0862 (180deg=-0.455) USER MOD Single : A 8 CYS SG : rot 5:sc= 1.24 USER MOD Single : A 17 THR OG1 : rot -150:sc= -0.455 USER MOD Single : A 20 GLN : amide:sc= 1.2 K(o=1.2,f=-0.086) USER MOD Single : A 27 SER OG : rot -88:sc= 1.21 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 35 SER OG : rot 41:sc= 0.271 USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= 0.707 (180deg=-2.41!) USER MOD Single : A 39 ASN : amide:sc= -0.0455 X(o=-0.046,f=-0.18) USER MOD Single : A 43 THR OG1 : rot -66:sc= 1.25 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 99:sc= 2.64 USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 1.99 (180deg=1.89) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= 0.751! (180deg=-0.245!) USER MOD Single : A 60 MET CE :methyl -125:sc= -0.752 (180deg=-4.2!) USER MOD Single : A 67 MET CE :methyl -150:sc= 0 (180deg=-2.1) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.45 F(o=-3!,f=-1.5) USER MOD Single : A 70 GLN : amide:sc= -0.742 K(o=-0.74,f=-1.7) USER MOD Single : A 76 ASN : amide:sc= 0.898 K(o=0.9,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.048 K(o=0.048,f=-0.68) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0164 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 20.223 10.344 1.298 1.00 0.00 N ATOM 2 CA GLY A 0 21.525 9.977 1.841 1.00 0.00 C ATOM 3 C GLY A 0 21.932 8.643 1.320 1.00 0.00 C ATOM 4 O GLY A 0 22.612 8.560 0.310 1.00 0.00 O ATOM 0 H1 GLY A 0 19.770 11.040 1.924 1.00 0.00 H new ATOM 0 H2 GLY A 0 20.346 10.757 0.351 1.00 0.00 H new ATOM 0 H3 GLY A 0 19.623 9.497 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 0 22.268 10.726 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 0 21.482 9.954 2.930 1.00 0.00 H new ATOM 10 N MET A 1 21.470 7.612 1.964 1.00 0.00 N ATOM 11 CA MET A 1 21.788 6.261 1.570 1.00 0.00 C ATOM 12 C MET A 1 20.561 5.629 0.951 1.00 0.00 C ATOM 13 O MET A 1 20.529 5.344 -0.236 1.00 0.00 O ATOM 14 CB MET A 1 22.278 5.412 2.772 1.00 0.00 C ATOM 15 CG MET A 1 23.604 5.857 3.416 1.00 0.00 C ATOM 16 SD MET A 1 23.537 7.468 4.259 1.00 0.00 S ATOM 17 CE MET A 1 22.321 7.152 5.544 1.00 0.00 C ATOM 0 H MET A 1 20.861 7.679 2.779 1.00 0.00 H new ATOM 0 HA MET A 1 22.601 6.294 0.844 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.503 5.422 3.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.386 4.379 2.442 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.916 5.099 4.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.372 5.898 2.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.381 7.933 6.302 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.323 7.147 5.107 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.521 6.184 6.004 1.00 0.00 H new ATOM 27 N ALA A 2 19.535 5.465 1.763 1.00 0.00 N ATOM 28 CA ALA A 2 18.281 4.873 1.340 1.00 0.00 C ATOM 29 C ALA A 2 17.237 5.130 2.397 1.00 0.00 C ATOM 30 O ALA A 2 16.906 4.250 3.201 1.00 0.00 O ATOM 31 CB ALA A 2 18.416 3.370 1.061 1.00 0.00 C ATOM 0 H ALA A 2 19.549 5.742 2.745 1.00 0.00 H new ATOM 0 HA ALA A 2 17.979 5.337 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.452 2.970 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 2 19.149 3.211 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.743 2.860 1.967 1.00 0.00 H new ATOM 37 N GLU A 3 16.815 6.359 2.468 1.00 0.00 N ATOM 38 CA GLU A 3 15.829 6.795 3.438 1.00 0.00 C ATOM 39 C GLU A 3 14.772 7.662 2.758 1.00 0.00 C ATOM 40 O GLU A 3 13.964 8.315 3.408 1.00 0.00 O ATOM 41 CB GLU A 3 16.519 7.557 4.608 1.00 0.00 C ATOM 42 CG GLU A 3 17.277 8.851 4.228 1.00 0.00 C ATOM 43 CD GLU A 3 18.434 8.639 3.268 1.00 0.00 C ATOM 44 OE1 GLU A 3 19.545 8.316 3.697 1.00 0.00 O1- ATOM 45 OE2 GLU A 3 18.248 8.799 2.039 1.00 0.00 O ATOM 0 H GLU A 3 17.144 7.102 1.851 1.00 0.00 H new ATOM 0 HA GLU A 3 15.331 5.921 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.759 7.810 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.221 6.878 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.573 9.552 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.656 9.317 5.138 1.00 0.00 H new ATOM 52 N VAL A 4 14.777 7.622 1.445 1.00 0.00 N ATOM 53 CA VAL A 4 13.852 8.390 0.640 1.00 0.00 C ATOM 54 C VAL A 4 12.536 7.655 0.584 1.00 0.00 C ATOM 55 O VAL A 4 12.520 6.421 0.443 1.00 0.00 O ATOM 56 CB VAL A 4 14.400 8.589 -0.800 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.465 9.448 -1.650 1.00 0.00 C ATOM 58 CG2 VAL A 4 15.777 9.207 -0.746 1.00 0.00 C ATOM 0 H VAL A 4 15.426 7.053 0.902 1.00 0.00 H new ATOM 0 HA VAL A 4 13.720 9.374 1.091 1.00 0.00 H new ATOM 0 HB VAL A 4 14.462 7.609 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.885 9.563 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.490 8.966 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.352 10.429 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 4 16.155 9.343 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.722 10.174 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.449 8.550 -0.194 1.00 0.00 H new ATOM 68 N GLU A 5 11.452 8.388 0.705 1.00 0.00 N ATOM 69 CA GLU A 5 10.155 7.790 0.711 1.00 0.00 C ATOM 70 C GLU A 5 9.785 7.220 -0.643 1.00 0.00 C ATOM 71 O GLU A 5 10.057 7.812 -1.696 1.00 0.00 O ATOM 72 CB GLU A 5 9.045 8.753 1.174 1.00 0.00 C ATOM 73 CG GLU A 5 8.898 10.026 0.332 1.00 0.00 C ATOM 74 CD GLU A 5 7.493 10.601 0.401 1.00 0.00 C ATOM 75 OE1 GLU A 5 6.984 10.844 1.509 1.00 0.00 O ATOM 76 OE2 GLU A 5 6.850 10.775 -0.665 1.00 0.00 O1- ATOM 0 H GLU A 5 11.453 9.404 0.800 1.00 0.00 H new ATOM 0 HA GLU A 5 10.224 6.979 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.095 8.219 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.241 9.040 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.612 10.773 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.147 9.804 -0.706 1.00 0.00 H new ATOM 83 N TYR A 6 9.208 6.065 -0.613 1.00 0.00 N ATOM 84 CA TYR A 6 8.656 5.488 -1.784 1.00 0.00 C ATOM 85 C TYR A 6 7.218 5.199 -1.569 1.00 0.00 C ATOM 86 O TYR A 6 6.837 4.392 -0.714 1.00 0.00 O ATOM 87 CB TYR A 6 9.397 4.265 -2.263 1.00 0.00 C ATOM 88 CG TYR A 6 10.203 4.510 -3.517 1.00 0.00 C ATOM 89 CD1 TYR A 6 9.619 4.394 -4.787 1.00 0.00 C ATOM 90 CD2 TYR A 6 11.550 4.818 -3.447 1.00 0.00 C ATOM 91 CE1 TYR A 6 10.367 4.571 -5.921 1.00 0.00 C ATOM 92 CE2 TYR A 6 12.298 5.011 -4.590 1.00 0.00 C ATOM 93 CZ TYR A 6 11.701 4.883 -5.822 1.00 0.00 C ATOM 94 OH TYR A 6 12.450 5.033 -6.968 1.00 0.00 O ATOM 0 H TYR A 6 9.108 5.497 0.228 1.00 0.00 H new ATOM 0 HA TYR A 6 8.765 6.221 -2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.063 3.919 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.681 3.464 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.568 4.162 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.024 4.909 -2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.908 4.465 -6.893 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.346 5.261 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 6 13.238 4.452 -6.922 1.00 0.00 H new ATOM 104 N ARG A 7 6.429 5.872 -2.317 1.00 0.00 N ATOM 105 CA ARG A 7 5.018 5.771 -2.247 1.00 0.00 C ATOM 106 C ARG A 7 4.591 4.601 -3.119 1.00 0.00 C ATOM 107 O ARG A 7 5.004 4.494 -4.273 1.00 0.00 O ATOM 108 CB ARG A 7 4.454 7.093 -2.752 1.00 0.00 C ATOM 109 CG ARG A 7 2.967 7.356 -2.538 1.00 0.00 C ATOM 110 CD ARG A 7 2.506 7.248 -1.064 1.00 0.00 C ATOM 111 NE ARG A 7 3.311 7.956 0.005 1.00 0.00 N ATOM 112 CZ ARG A 7 4.175 9.031 -0.030 1.00 0.00 C ATOM 113 NH1 ARG A 7 4.430 9.734 -1.129 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 4.744 9.401 1.101 1.00 0.00 N ATOM 0 H ARG A 7 6.757 6.533 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 7 4.652 5.591 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.010 7.900 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.656 7.157 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.729 8.353 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.395 6.648 -3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.484 7.622 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.472 6.190 -0.805 1.00 0.00 H new ATOM 0 HE ARG A 7 3.191 7.559 0.937 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.976 9.488 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.079 10.520 -1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.540 8.897 1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.388 10.192 1.113 1.00 0.00 H new ATOM 128 N CYS A 8 3.846 3.714 -2.553 1.00 0.00 N ATOM 129 CA CYS A 8 3.377 2.547 -3.240 1.00 0.00 C ATOM 130 C CYS A 8 1.868 2.635 -3.387 1.00 0.00 C ATOM 131 O CYS A 8 1.183 3.127 -2.478 1.00 0.00 O ATOM 132 CB CYS A 8 3.765 1.309 -2.434 1.00 0.00 C ATOM 133 SG CYS A 8 3.409 -0.269 -3.221 1.00 0.00 S ATOM 0 H CYS A 8 3.537 3.775 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 8 3.826 2.480 -4.231 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.833 1.356 -2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.246 1.343 -1.476 1.00 0.00 H new ATOM 0 HG CYS A 8 2.965 -0.063 -4.425 1.00 0.00 H new ATOM 139 N PHE A 9 1.372 2.208 -4.521 1.00 0.00 N ATOM 140 CA PHE A 9 -0.042 2.208 -4.805 1.00 0.00 C ATOM 141 C PHE A 9 -0.556 0.802 -4.602 1.00 0.00 C ATOM 142 O PHE A 9 -0.062 -0.147 -5.240 1.00 0.00 O ATOM 143 CB PHE A 9 -0.286 2.645 -6.269 1.00 0.00 C ATOM 144 CG PHE A 9 -1.743 2.728 -6.702 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.452 1.587 -7.062 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.390 3.946 -6.761 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.768 1.666 -7.467 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.705 4.033 -7.170 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.396 2.891 -7.522 1.00 0.00 C ATOM 0 H PHE A 9 1.946 1.846 -5.283 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.560 2.904 -4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.174 3.622 -6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.230 1.946 -6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.964 0.624 -7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.859 4.844 -6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.305 0.770 -7.740 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.194 4.995 -7.215 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.426 2.958 -7.840 1.00 0.00 H new ATOM 159 N VAL A 10 -1.500 0.642 -3.722 1.00 0.00 N ATOM 160 CA VAL A 10 -2.086 -0.645 -3.518 1.00 0.00 C ATOM 161 C VAL A 10 -3.562 -0.547 -3.838 1.00 0.00 C ATOM 162 O VAL A 10 -4.309 0.131 -3.149 1.00 0.00 O ATOM 163 CB VAL A 10 -1.898 -1.155 -2.063 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.415 -2.580 -1.922 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.436 -1.078 -1.642 1.00 0.00 C ATOM 0 H VAL A 10 -1.878 1.386 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.587 -1.360 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.477 -0.508 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.274 -2.918 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.476 -2.608 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.866 -3.235 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.332 -1.441 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.168 -1.694 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.096 -0.044 -1.696 1.00 0.00 H new ATOM 175 N GLY A 11 -3.961 -1.215 -4.873 1.00 0.00 N ATOM 176 CA GLY A 11 -5.328 -1.205 -5.297 1.00 0.00 C ATOM 177 C GLY A 11 -5.897 -2.587 -5.307 1.00 0.00 C ATOM 178 O GLY A 11 -5.145 -3.564 -5.302 1.00 0.00 O ATOM 0 H GLY A 11 -3.346 -1.786 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.914 -0.572 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.400 -0.771 -6.294 1.00 0.00 H new ATOM 182 N GLY A 12 -7.200 -2.682 -5.319 1.00 0.00 N ATOM 183 CA GLY A 12 -7.840 -3.970 -5.297 1.00 0.00 C ATOM 184 C GLY A 12 -8.016 -4.415 -3.881 1.00 0.00 C ATOM 185 O GLY A 12 -7.796 -5.570 -3.546 1.00 0.00 O ATOM 0 H GLY A 12 -7.837 -1.886 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.808 -3.916 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.240 -4.696 -5.846 1.00 0.00 H new ATOM 189 N LEU A 13 -8.393 -3.477 -3.046 1.00 0.00 N ATOM 190 CA LEU A 13 -8.558 -3.724 -1.645 1.00 0.00 C ATOM 191 C LEU A 13 -9.955 -4.201 -1.316 1.00 0.00 C ATOM 192 O LEU A 13 -10.847 -4.246 -2.180 1.00 0.00 O ATOM 193 CB LEU A 13 -8.164 -2.507 -0.817 1.00 0.00 C ATOM 194 CG LEU A 13 -6.697 -2.081 -0.930 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.428 -0.893 -0.059 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.767 -3.223 -0.561 1.00 0.00 C ATOM 0 H LEU A 13 -8.594 -2.517 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.879 -4.533 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.792 -1.668 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.385 -2.714 0.230 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.506 -1.807 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.381 -0.604 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.063 -0.063 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.644 -1.146 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.732 -2.893 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.962 -3.534 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.939 -4.064 -1.233 1.00 0.00 H new ATOM 208 N ALA A 14 -10.142 -4.532 -0.079 1.00 0.00 N ATOM 209 CA ALA A 14 -11.323 -5.182 0.369 1.00 0.00 C ATOM 210 C ALA A 14 -12.154 -4.330 1.320 1.00 0.00 C ATOM 211 O ALA A 14 -11.892 -3.136 1.486 1.00 0.00 O ATOM 212 CB ALA A 14 -10.882 -6.418 1.034 1.00 0.00 C ATOM 0 H ALA A 14 -9.462 -4.353 0.660 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.977 -5.379 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.751 -6.963 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.338 -7.039 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.230 -6.168 1.871 1.00 0.00 H new ATOM 218 N TRP A 15 -13.149 -4.965 1.961 1.00 0.00 N ATOM 219 CA TRP A 15 -14.047 -4.273 2.878 1.00 0.00 C ATOM 220 C TRP A 15 -13.338 -4.089 4.184 1.00 0.00 C ATOM 221 O TRP A 15 -13.332 -3.014 4.768 1.00 0.00 O ATOM 222 CB TRP A 15 -15.325 -5.085 3.184 1.00 0.00 C ATOM 223 CG TRP A 15 -16.178 -5.487 2.021 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.383 -6.759 1.574 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.964 -4.632 1.176 1.00 0.00 C ATOM 226 NE1 TRP A 15 -17.240 -6.750 0.496 1.00 0.00 N ATOM 227 CE2 TRP A 15 -17.615 -5.457 0.235 1.00 0.00 C ATOM 228 CE3 TRP A 15 -17.179 -3.251 1.121 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -18.463 -4.948 -0.744 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -18.024 -2.748 0.149 1.00 0.00 C ATOM 231 CH2 TRP A 15 -18.656 -3.595 -0.770 1.00 0.00 C ATOM 0 H TRP A 15 -13.346 -5.960 1.855 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.328 -3.332 2.405 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -15.030 -5.990 3.715 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.941 -4.500 3.868 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -15.938 -7.645 2.003 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.546 -7.572 -0.024 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -16.694 -2.590 1.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -18.950 -5.597 -1.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.200 -1.684 0.098 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.311 -3.170 -1.516 1.00 0.00 H new ATOM 242 N ALA A 16 -12.711 -5.165 4.617 1.00 0.00 N ATOM 243 CA ALA A 16 -12.064 -5.216 5.917 1.00 0.00 C ATOM 244 C ALA A 16 -10.673 -4.598 5.895 1.00 0.00 C ATOM 245 O ALA A 16 -9.954 -4.624 6.896 1.00 0.00 O ATOM 246 CB ALA A 16 -12.003 -6.653 6.417 1.00 0.00 C ATOM 0 H ALA A 16 -12.635 -6.029 4.080 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.666 -4.621 6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.516 -6.679 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.014 -7.051 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.435 -7.260 5.712 1.00 0.00 H new ATOM 252 N THR A 17 -10.282 -4.052 4.769 1.00 0.00 N ATOM 253 CA THR A 17 -8.997 -3.452 4.685 1.00 0.00 C ATOM 254 C THR A 17 -9.033 -2.044 5.284 1.00 0.00 C ATOM 255 O THR A 17 -9.731 -1.159 4.783 1.00 0.00 O ATOM 256 CB THR A 17 -8.528 -3.372 3.226 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.667 -4.664 2.617 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.066 -2.947 3.165 1.00 0.00 C ATOM 0 H THR A 17 -10.837 -4.017 3.914 1.00 0.00 H new ATOM 0 HA THR A 17 -8.297 -4.070 5.247 1.00 0.00 H new ATOM 0 HB THR A 17 -9.135 -2.638 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.985 -4.773 1.922 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.746 -2.894 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.952 -1.968 3.630 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.453 -3.675 3.697 1.00 0.00 H new ATOM 266 N THR A 18 -8.286 -1.848 6.334 1.00 0.00 N ATOM 267 CA THR A 18 -8.134 -0.552 6.913 1.00 0.00 C ATOM 268 C THR A 18 -6.677 -0.188 6.772 1.00 0.00 C ATOM 269 O THR A 18 -5.881 -1.018 6.295 1.00 0.00 O ATOM 270 CB THR A 18 -8.529 -0.534 8.415 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.682 -1.421 9.160 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.986 -0.935 8.610 1.00 0.00 C ATOM 0 H THR A 18 -7.767 -2.586 6.810 1.00 0.00 H new ATOM 0 HA THR A 18 -8.789 0.157 6.406 1.00 0.00 H new ATOM 0 HB THR A 18 -8.402 0.485 8.780 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.686 -2.307 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.231 -0.912 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.630 -0.238 8.074 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.141 -1.942 8.223 1.00 0.00 H new ATOM 280 N ASP A 19 -6.299 1.004 7.162 1.00 0.00 N ATOM 281 CA ASP A 19 -4.902 1.391 7.087 1.00 0.00 C ATOM 282 C ASP A 19 -4.056 0.685 8.099 1.00 0.00 C ATOM 283 O ASP A 19 -2.846 0.542 7.914 1.00 0.00 O ATOM 284 CB ASP A 19 -4.676 2.890 7.047 1.00 0.00 C ATOM 285 CG ASP A 19 -5.438 3.697 8.055 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.560 4.130 7.724 1.00 0.00 O ATOM 287 OD2 ASP A 19 -4.922 4.027 9.105 1.00 0.00 O1- ATOM 0 H ASP A 19 -6.926 1.719 7.531 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.558 1.044 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.612 3.081 7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.936 3.250 6.051 1.00 0.00 H new ATOM 292 N GLN A 20 -4.702 0.181 9.129 1.00 0.00 N ATOM 293 CA GLN A 20 -4.030 -0.643 10.105 1.00 0.00 C ATOM 294 C GLN A 20 -3.608 -1.911 9.395 1.00 0.00 C ATOM 295 O GLN A 20 -2.434 -2.256 9.359 1.00 0.00 O ATOM 296 CB GLN A 20 -4.966 -1.032 11.244 1.00 0.00 C ATOM 297 CG GLN A 20 -4.272 -1.838 12.332 1.00 0.00 C ATOM 298 CD GLN A 20 -5.239 -2.573 13.221 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.725 -2.042 14.214 1.00 0.00 O ATOM 300 NE2 GLN A 20 -5.479 -3.818 12.903 1.00 0.00 N ATOM 0 H GLN A 20 -5.695 0.329 9.310 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.187 -0.093 10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.391 -0.129 11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.797 -1.613 10.843 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.594 -2.555 11.870 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.663 -1.169 12.940 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.055 -4.222 12.068 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.091 -4.385 13.490 1.00 0.00 H new ATOM 309 N THR A 21 -4.597 -2.544 8.760 1.00 0.00 N ATOM 310 CA THR A 21 -4.445 -3.763 8.043 1.00 0.00 C ATOM 311 C THR A 21 -3.429 -3.620 6.899 1.00 0.00 C ATOM 312 O THR A 21 -2.697 -4.549 6.571 1.00 0.00 O ATOM 313 CB THR A 21 -5.805 -4.134 7.485 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.790 -3.839 8.490 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.856 -5.591 7.214 1.00 0.00 C ATOM 0 H THR A 21 -5.553 -2.189 8.745 1.00 0.00 H new ATOM 0 HA THR A 21 -4.069 -4.538 8.711 1.00 0.00 H new ATOM 0 HB THR A 21 -5.990 -3.580 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.681 -4.069 8.152 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.835 -5.852 6.813 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.085 -5.853 6.489 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.685 -6.140 8.140 1.00 0.00 H new ATOM 323 N LEU A 22 -3.395 -2.444 6.316 1.00 0.00 N ATOM 324 CA LEU A 22 -2.478 -2.141 5.248 1.00 0.00 C ATOM 325 C LEU A 22 -1.040 -2.154 5.804 1.00 0.00 C ATOM 326 O LEU A 22 -0.140 -2.798 5.247 1.00 0.00 O ATOM 327 CB LEU A 22 -2.817 -0.752 4.688 1.00 0.00 C ATOM 328 CG LEU A 22 -2.112 -0.329 3.405 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.593 -1.164 2.230 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.341 1.149 3.142 1.00 0.00 C ATOM 0 H LEU A 22 -4.006 -1.669 6.572 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.559 -2.881 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.892 -0.711 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.592 -0.013 5.457 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.042 -0.497 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.078 -0.847 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.379 -2.216 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.667 -1.029 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.832 1.438 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.409 1.339 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.946 1.732 3.974 1.00 0.00 H new ATOM 342 N GLY A 23 -0.860 -1.476 6.928 1.00 0.00 N ATOM 343 CA GLY A 23 0.431 -1.381 7.561 1.00 0.00 C ATOM 344 C GLY A 23 0.903 -2.698 8.145 1.00 0.00 C ATOM 345 O GLY A 23 2.053 -3.083 7.942 1.00 0.00 O ATOM 0 H GLY A 23 -1.605 -0.982 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.162 -1.030 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.387 -0.634 8.353 1.00 0.00 H new ATOM 349 N GLU A 24 0.017 -3.406 8.843 1.00 0.00 N ATOM 350 CA GLU A 24 0.361 -4.679 9.492 1.00 0.00 C ATOM 351 C GLU A 24 0.748 -5.743 8.455 1.00 0.00 C ATOM 352 O GLU A 24 1.559 -6.625 8.724 1.00 0.00 O ATOM 353 CB GLU A 24 -0.790 -5.164 10.408 1.00 0.00 C ATOM 354 CG GLU A 24 -2.073 -5.502 9.681 1.00 0.00 C ATOM 355 CD GLU A 24 -3.246 -5.791 10.611 1.00 0.00 C ATOM 356 OE1 GLU A 24 -3.361 -6.921 11.085 1.00 0.00 O ATOM 357 OE2 GLU A 24 -4.080 -4.869 10.843 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.953 -3.120 8.977 1.00 0.00 H new ATOM 0 HA GLU A 24 1.233 -4.511 10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.455 -6.045 10.955 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.999 -4.391 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.337 -4.673 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.902 -6.371 9.045 1.00 0.00 H new ATOM 364 N ALA A 25 0.191 -5.630 7.264 1.00 0.00 N ATOM 365 CA ALA A 25 0.510 -6.542 6.197 1.00 0.00 C ATOM 366 C ALA A 25 1.861 -6.194 5.568 1.00 0.00 C ATOM 367 O ALA A 25 2.781 -7.012 5.561 1.00 0.00 O ATOM 368 CB ALA A 25 -0.591 -6.545 5.135 1.00 0.00 C ATOM 0 H ALA A 25 -0.487 -4.910 7.017 1.00 0.00 H new ATOM 0 HA ALA A 25 0.578 -7.544 6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.327 -7.242 4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.533 -6.852 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.698 -5.543 4.719 1.00 0.00 H new ATOM 374 N PHE A 26 1.999 -4.966 5.101 1.00 0.00 N ATOM 375 CA PHE A 26 3.183 -4.567 4.343 1.00 0.00 C ATOM 376 C PHE A 26 4.458 -4.391 5.156 1.00 0.00 C ATOM 377 O PHE A 26 5.553 -4.403 4.588 1.00 0.00 O ATOM 378 CB PHE A 26 2.908 -3.370 3.439 1.00 0.00 C ATOM 379 CG PHE A 26 1.988 -3.714 2.305 1.00 0.00 C ATOM 380 CD1 PHE A 26 2.436 -4.513 1.273 1.00 0.00 C ATOM 381 CD2 PHE A 26 0.689 -3.257 2.272 1.00 0.00 C ATOM 382 CE1 PHE A 26 1.609 -4.851 0.229 1.00 0.00 C ATOM 383 CE2 PHE A 26 -0.147 -3.592 1.226 1.00 0.00 C ATOM 384 CZ PHE A 26 0.315 -4.390 0.204 1.00 0.00 C ATOM 0 H PHE A 26 1.310 -4.225 5.230 1.00 0.00 H new ATOM 0 HA PHE A 26 3.393 -5.430 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.469 -2.565 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.850 -2.995 3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.452 -4.878 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.321 -2.631 3.072 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.976 -5.478 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.164 -3.228 1.209 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.338 -4.653 -0.615 1.00 0.00 H new ATOM 394 N SER A 27 4.338 -4.288 6.468 1.00 0.00 N ATOM 395 CA SER A 27 5.513 -4.163 7.339 1.00 0.00 C ATOM 396 C SER A 27 6.330 -5.462 7.363 1.00 0.00 C ATOM 397 O SER A 27 7.469 -5.493 7.806 1.00 0.00 O ATOM 398 CB SER A 27 5.084 -3.741 8.742 1.00 0.00 C ATOM 399 OG SER A 27 3.981 -4.520 9.180 1.00 0.00 O ATOM 0 H SER A 27 3.445 -4.288 6.961 1.00 0.00 H new ATOM 0 HA SER A 27 6.163 -3.387 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.918 -3.859 9.434 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.815 -2.685 8.744 1.00 0.00 H new ATOM 0 HG SER A 27 3.146 -4.098 8.888 1.00 0.00 H new ATOM 405 N GLN A 28 5.721 -6.528 6.860 1.00 0.00 N ATOM 406 CA GLN A 28 6.363 -7.820 6.754 1.00 0.00 C ATOM 407 C GLN A 28 7.460 -7.780 5.676 1.00 0.00 C ATOM 408 O GLN A 28 8.418 -8.543 5.724 1.00 0.00 O ATOM 409 CB GLN A 28 5.303 -8.872 6.410 1.00 0.00 C ATOM 410 CG GLN A 28 5.803 -10.307 6.338 1.00 0.00 C ATOM 411 CD GLN A 28 4.702 -11.294 5.979 1.00 0.00 C ATOM 412 OE1 GLN A 28 3.477 -10.996 6.358 1.00 0.00 O flip ATOM 413 NE2 GLN A 28 4.951 -12.317 5.367 1.00 0.00 N flip ATOM 0 H GLN A 28 4.762 -6.514 6.514 1.00 0.00 H new ATOM 0 HA GLN A 28 6.833 -8.079 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.509 -8.819 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.857 -8.613 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.600 -10.373 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.236 -10.585 7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.910 -12.523 5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.201 -12.968 5.136 1.00 0.00 H new ATOM 422 N PHE A 29 7.310 -6.875 4.719 1.00 0.00 N ATOM 423 CA PHE A 29 8.280 -6.748 3.641 1.00 0.00 C ATOM 424 C PHE A 29 9.016 -5.430 3.683 1.00 0.00 C ATOM 425 O PHE A 29 10.212 -5.379 3.439 1.00 0.00 O ATOM 426 CB PHE A 29 7.638 -6.947 2.264 1.00 0.00 C ATOM 427 CG PHE A 29 7.233 -8.363 1.985 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.195 -9.318 1.708 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.909 -8.743 2.014 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.844 -10.628 1.461 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.552 -10.061 1.769 1.00 0.00 C ATOM 432 CZ PHE A 29 6.520 -10.999 1.493 1.00 0.00 C ATOM 0 H PHE A 29 6.529 -6.221 4.667 1.00 0.00 H new ATOM 0 HA PHE A 29 9.007 -7.545 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.760 -6.306 2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.339 -6.621 1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.236 -9.033 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.145 -8.011 2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.607 -11.361 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.512 -10.351 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.241 -12.025 1.302 1.00 0.00 H new ATOM 442 N GLY A 30 8.324 -4.372 4.010 1.00 0.00 N ATOM 443 CA GLY A 30 8.960 -3.104 3.979 1.00 0.00 C ATOM 444 C GLY A 30 8.660 -2.268 5.173 1.00 0.00 C ATOM 445 O GLY A 30 7.576 -2.364 5.739 1.00 0.00 O ATOM 0 H GLY A 30 7.344 -4.370 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.038 -3.247 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.647 -2.570 3.082 1.00 0.00 H new ATOM 449 N GLU A 31 9.621 -1.448 5.548 1.00 0.00 N ATOM 450 CA GLU A 31 9.473 -0.540 6.659 1.00 0.00 C ATOM 451 C GLU A 31 8.447 0.533 6.299 1.00 0.00 C ATOM 452 O GLU A 31 8.468 1.087 5.171 1.00 0.00 O ATOM 453 CB GLU A 31 10.831 0.076 7.030 1.00 0.00 C ATOM 454 CG GLU A 31 10.784 0.987 8.242 1.00 0.00 C ATOM 455 CD GLU A 31 10.222 0.275 9.452 1.00 0.00 C ATOM 456 OE1 GLU A 31 8.976 0.229 9.578 1.00 0.00 O ATOM 457 OE2 GLU A 31 11.013 -0.248 10.248 1.00 0.00 O1- ATOM 0 H GLU A 31 10.529 -1.395 5.086 1.00 0.00 H new ATOM 0 HA GLU A 31 9.113 -1.082 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.543 -0.727 7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.207 0.641 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.788 1.348 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.173 1.861 8.017 1.00 0.00 H new ATOM 464 N ILE A 32 7.596 0.842 7.238 1.00 0.00 N ATOM 465 CA ILE A 32 6.454 1.692 7.009 1.00 0.00 C ATOM 466 C ILE A 32 6.674 3.082 7.599 1.00 0.00 C ATOM 467 O ILE A 32 6.832 3.237 8.799 1.00 0.00 O ATOM 468 CB ILE A 32 5.166 1.067 7.645 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.893 -0.349 7.096 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.945 1.961 7.444 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.655 -0.419 5.599 1.00 0.00 C ATOM 0 H ILE A 32 7.675 0.507 8.198 1.00 0.00 H new ATOM 0 HA ILE A 32 6.325 1.780 5.930 1.00 0.00 H new ATOM 0 HB ILE A 32 5.351 0.987 8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.740 -0.989 7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.022 -0.759 7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.072 1.493 7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.122 2.930 7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.767 2.100 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.472 -1.453 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.789 0.190 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.533 -0.044 5.073 1.00 0.00 H new ATOM 483 N LEU A 33 6.684 4.089 6.748 1.00 0.00 N ATOM 484 CA LEU A 33 6.781 5.461 7.231 1.00 0.00 C ATOM 485 C LEU A 33 5.370 5.999 7.415 1.00 0.00 C ATOM 486 O LEU A 33 5.122 6.877 8.234 1.00 0.00 O ATOM 487 CB LEU A 33 7.525 6.367 6.232 1.00 0.00 C ATOM 488 CG LEU A 33 8.951 5.969 5.821 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.527 7.012 4.872 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.861 5.795 7.034 1.00 0.00 C ATOM 0 H LEU A 33 6.627 3.991 5.734 1.00 0.00 H new ATOM 0 HA LEU A 33 7.338 5.460 8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.922 6.431 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.568 7.369 6.658 1.00 0.00 H new ATOM 0 HG LEU A 33 8.897 5.007 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.538 6.724 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.902 7.079 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.554 7.981 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.860 5.514 6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.913 6.733 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.460 5.014 7.680 1.00 0.00 H new ATOM 502 N ASP A 34 4.462 5.430 6.639 1.00 0.00 N ATOM 503 CA ASP A 34 3.056 5.815 6.575 1.00 0.00 C ATOM 504 C ASP A 34 2.299 4.773 5.761 1.00 0.00 C ATOM 505 O ASP A 34 2.890 4.129 4.891 1.00 0.00 O ATOM 506 CB ASP A 34 2.909 7.220 5.932 1.00 0.00 C ATOM 507 CG ASP A 34 1.578 7.428 5.238 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.574 7.668 5.920 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 1.551 7.292 3.986 1.00 0.00 O ATOM 0 H ASP A 34 4.689 4.658 6.012 1.00 0.00 H new ATOM 0 HA ASP A 34 2.642 5.862 7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.030 7.979 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.713 7.367 5.211 1.00 0.00 H new ATOM 514 N SER A 35 1.053 4.562 6.080 1.00 0.00 N ATOM 515 CA SER A 35 0.204 3.650 5.360 1.00 0.00 C ATOM 516 C SER A 35 -1.235 4.075 5.547 1.00 0.00 C ATOM 517 O SER A 35 -1.771 3.962 6.648 1.00 0.00 O ATOM 518 CB SER A 35 0.443 2.200 5.822 1.00 0.00 C ATOM 519 OG SER A 35 0.338 2.080 7.236 1.00 0.00 O ATOM 0 H SER A 35 0.589 5.026 6.861 1.00 0.00 H new ATOM 0 HA SER A 35 0.442 3.680 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.282 1.541 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.432 1.873 5.500 1.00 0.00 H new ATOM 0 HG SER A 35 -0.419 2.615 7.554 1.00 0.00 H new ATOM 525 N LYS A 36 -1.853 4.581 4.501 1.00 0.00 N ATOM 526 CA LYS A 36 -3.200 5.083 4.603 1.00 0.00 C ATOM 527 C LYS A 36 -4.097 4.614 3.482 1.00 0.00 C ATOM 528 O LYS A 36 -3.698 4.543 2.315 1.00 0.00 O ATOM 529 CB LYS A 36 -3.225 6.616 4.695 1.00 0.00 C ATOM 530 CG LYS A 36 -2.755 7.190 6.035 1.00 0.00 C ATOM 531 CD LYS A 36 -3.626 6.715 7.208 1.00 0.00 C ATOM 532 CE LYS A 36 -5.066 7.210 7.112 1.00 0.00 C ATOM 533 NZ LYS A 36 -5.906 6.670 8.218 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.441 4.654 3.571 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.599 4.666 5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.598 7.023 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.242 6.960 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.720 6.896 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.774 8.279 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.622 5.625 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.188 7.063 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.080 8.299 7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.491 6.913 6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.549 7.413 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.463 5.864 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.293 6.356 8.998 1.00 0.00 H new ATOM 547 N ILE A 37 -5.308 4.287 3.848 1.00 0.00 N ATOM 548 CA ILE A 37 -6.325 3.920 2.899 1.00 0.00 C ATOM 549 C ILE A 37 -7.011 5.184 2.477 1.00 0.00 C ATOM 550 O ILE A 37 -7.247 6.070 3.306 1.00 0.00 O ATOM 551 CB ILE A 37 -7.379 2.946 3.521 1.00 0.00 C ATOM 552 CG1 ILE A 37 -6.717 1.651 3.973 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.530 2.645 2.553 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.057 0.866 2.873 1.00 0.00 C ATOM 0 H ILE A 37 -5.618 4.268 4.819 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.864 3.404 2.057 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.804 3.449 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.970 1.886 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.469 1.022 4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.237 1.965 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.039 3.573 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.134 2.183 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.613 -0.039 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.800 0.595 2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.279 1.472 2.410 1.00 0.00 H new ATOM 566 N ILE A 38 -7.290 5.303 1.218 1.00 0.00 N ATOM 567 CA ILE A 38 -7.972 6.452 0.737 1.00 0.00 C ATOM 568 C ILE A 38 -9.448 6.192 0.857 1.00 0.00 C ATOM 569 O ILE A 38 -9.991 5.252 0.237 1.00 0.00 O ATOM 570 CB ILE A 38 -7.571 6.794 -0.726 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.042 7.002 -0.825 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.315 8.032 -1.231 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.485 8.079 0.105 1.00 0.00 C ATOM 0 H ILE A 38 -7.053 4.613 0.505 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.694 7.321 1.333 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.855 5.954 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.545 6.057 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.790 7.262 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.013 8.245 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.389 7.849 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.074 8.885 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.406 8.156 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.950 9.037 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.701 7.813 1.140 1.00 0.00 H new ATOM 585 N ASN A 39 -10.072 6.948 1.707 1.00 0.00 N ATOM 586 CA ASN A 39 -11.479 6.827 1.937 1.00 0.00 C ATOM 587 C ASN A 39 -12.247 7.551 0.861 1.00 0.00 C ATOM 588 O ASN A 39 -11.770 8.526 0.262 1.00 0.00 O ATOM 589 CB ASN A 39 -11.872 7.343 3.334 1.00 0.00 C ATOM 590 CG ASN A 39 -11.525 8.807 3.555 1.00 0.00 C ATOM 591 OD1 ASN A 39 -10.424 9.134 3.981 1.00 0.00 O ATOM 592 ND2 ASN A 39 -12.452 9.691 3.287 1.00 0.00 N ATOM 0 H ASN A 39 -9.617 7.671 2.264 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.736 5.768 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.944 7.206 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.370 6.740 4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.267 10.684 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.359 9.387 2.933 1.00 0.00 H new ATOM 599 N ASP A 40 -13.398 7.052 0.596 1.00 0.00 N ATOM 600 CA ASP A 40 -14.280 7.572 -0.400 1.00 0.00 C ATOM 601 C ASP A 40 -15.060 8.693 0.231 1.00 0.00 C ATOM 602 O ASP A 40 -15.726 8.488 1.226 1.00 0.00 O ATOM 603 CB ASP A 40 -15.208 6.447 -0.864 1.00 0.00 C ATOM 604 CG ASP A 40 -16.085 6.819 -2.016 1.00 0.00 C ATOM 605 OD1 ASP A 40 -17.159 7.368 -1.785 1.00 0.00 O1- ATOM 606 OD2 ASP A 40 -15.719 6.519 -3.179 1.00 0.00 O ATOM 0 H ASP A 40 -13.773 6.238 1.083 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.739 7.950 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.604 5.584 -1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.835 6.139 -0.028 1.00 0.00 H new ATOM 611 N ARG A 41 -14.929 9.875 -0.307 1.00 0.00 N ATOM 612 CA ARG A 41 -15.557 11.057 0.275 1.00 0.00 C ATOM 613 C ARG A 41 -17.072 11.032 0.084 1.00 0.00 C ATOM 614 O ARG A 41 -17.815 11.542 0.911 1.00 0.00 O ATOM 615 CB ARG A 41 -14.974 12.322 -0.359 1.00 0.00 C ATOM 616 CG ARG A 41 -15.491 13.627 0.244 1.00 0.00 C ATOM 617 CD ARG A 41 -15.059 14.820 -0.589 1.00 0.00 C ATOM 618 NE ARG A 41 -15.590 14.715 -1.948 1.00 0.00 N ATOM 619 CZ ARG A 41 -15.438 15.573 -2.945 1.00 0.00 C ATOM 620 NH1 ARG A 41 -14.743 16.711 -2.783 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -15.993 15.275 -4.109 1.00 0.00 N ATOM 0 H ARG A 41 -14.391 10.058 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.351 11.057 1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.889 12.296 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.198 12.315 -1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.579 13.597 0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.116 13.735 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.411 15.741 -0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.971 14.874 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.143 13.882 -2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.321 16.927 -1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.637 17.359 -3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.518 14.407 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.896 15.913 -4.899 1.00 0.00 H new ATOM 635 N GLU A 42 -17.497 10.419 -0.990 1.00 0.00 N ATOM 636 CA GLU A 42 -18.889 10.396 -1.368 1.00 0.00 C ATOM 637 C GLU A 42 -19.711 9.397 -0.528 1.00 0.00 C ATOM 638 O GLU A 42 -20.843 9.678 -0.153 1.00 0.00 O ATOM 639 CB GLU A 42 -19.030 10.102 -2.881 1.00 0.00 C ATOM 640 CG GLU A 42 -18.621 11.252 -3.841 1.00 0.00 C ATOM 641 CD GLU A 42 -17.189 11.760 -3.688 1.00 0.00 C ATOM 642 OE1 GLU A 42 -16.237 11.042 -4.049 1.00 0.00 O ATOM 643 OE2 GLU A 42 -17.002 12.906 -3.235 1.00 0.00 O1- ATOM 0 H GLU A 42 -16.884 9.918 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 42 -19.299 11.385 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -18.426 9.226 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.068 9.838 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -18.759 10.911 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.303 12.089 -3.688 1.00 0.00 H new ATOM 650 N THR A 43 -19.150 8.237 -0.251 1.00 0.00 N ATOM 651 CA THR A 43 -19.877 7.222 0.508 1.00 0.00 C ATOM 652 C THR A 43 -19.314 6.963 1.913 1.00 0.00 C ATOM 653 O THR A 43 -19.996 6.391 2.757 1.00 0.00 O ATOM 654 CB THR A 43 -19.968 5.893 -0.274 1.00 0.00 C ATOM 655 OG1 THR A 43 -18.662 5.497 -0.726 1.00 0.00 O ATOM 656 CG2 THR A 43 -20.890 6.026 -1.472 1.00 0.00 C ATOM 0 H THR A 43 -18.207 7.970 -0.532 1.00 0.00 H new ATOM 0 HA THR A 43 -20.876 7.637 0.645 1.00 0.00 H new ATOM 0 HB THR A 43 -20.373 5.136 0.398 1.00 0.00 H new ATOM 0 HG1 THR A 43 -18.332 6.146 -1.382 1.00 0.00 H new ATOM 0 HG21 THR A 43 -20.935 5.076 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 43 -21.889 6.300 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 43 -20.509 6.798 -2.140 1.00 0.00 H new ATOM 664 N GLY A 44 -18.074 7.354 2.154 1.00 0.00 N ATOM 665 CA GLY A 44 -17.469 7.137 3.464 1.00 0.00 C ATOM 666 C GLY A 44 -16.828 5.762 3.602 1.00 0.00 C ATOM 667 O GLY A 44 -16.411 5.372 4.684 1.00 0.00 O ATOM 0 H GLY A 44 -17.471 7.817 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.714 7.903 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.231 7.256 4.234 1.00 0.00 H new ATOM 671 N ARG A 45 -16.743 5.039 2.503 1.00 0.00 N ATOM 672 CA ARG A 45 -16.164 3.692 2.510 1.00 0.00 C ATOM 673 C ARG A 45 -14.689 3.784 2.072 1.00 0.00 C ATOM 674 O ARG A 45 -14.195 4.866 1.827 1.00 0.00 O ATOM 675 CB ARG A 45 -16.926 2.795 1.509 1.00 0.00 C ATOM 676 CG ARG A 45 -16.611 3.132 0.054 1.00 0.00 C ATOM 677 CD ARG A 45 -17.338 2.253 -0.941 1.00 0.00 C ATOM 678 NE ARG A 45 -16.683 2.315 -2.268 1.00 0.00 N ATOM 679 CZ ARG A 45 -16.867 3.272 -3.201 1.00 0.00 C ATOM 680 NH1 ARG A 45 -17.685 4.292 -2.972 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -16.199 3.208 -4.358 1.00 0.00 N ATOM 0 H ARG A 45 -17.065 5.354 1.588 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.238 3.267 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.674 1.752 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.998 2.899 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.873 4.173 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.537 3.039 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.351 1.223 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.376 2.573 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.032 1.564 -2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.182 4.358 -2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.817 5.010 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.553 2.438 -4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.335 3.929 -5.066 1.00 0.00 H new ATOM 695 N SER A 46 -14.004 2.670 1.981 1.00 0.00 N ATOM 696 CA SER A 46 -12.680 2.643 1.391 1.00 0.00 C ATOM 697 C SER A 46 -12.861 2.715 -0.148 1.00 0.00 C ATOM 698 O SER A 46 -13.770 2.068 -0.682 1.00 0.00 O ATOM 699 CB SER A 46 -12.010 1.326 1.792 1.00 0.00 C ATOM 700 OG SER A 46 -12.109 1.141 3.197 1.00 0.00 O ATOM 0 H SER A 46 -14.340 1.764 2.308 1.00 0.00 H new ATOM 0 HA SER A 46 -12.061 3.474 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.485 0.494 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.963 1.334 1.490 1.00 0.00 H new ATOM 0 HG SER A 46 -11.680 0.296 3.447 1.00 0.00 H new ATOM 706 N ARG A 47 -12.027 3.485 -0.875 1.00 0.00 N ATOM 707 CA ARG A 47 -12.244 3.615 -2.344 1.00 0.00 C ATOM 708 C ARG A 47 -11.808 2.355 -3.090 1.00 0.00 C ATOM 709 O ARG A 47 -11.971 2.256 -4.298 1.00 0.00 O ATOM 710 CB ARG A 47 -11.546 4.840 -2.978 1.00 0.00 C ATOM 711 CG ARG A 47 -11.674 6.125 -2.200 1.00 0.00 C ATOM 712 CD ARG A 47 -11.718 7.365 -3.088 1.00 0.00 C ATOM 713 NE ARG A 47 -13.079 7.587 -3.609 1.00 0.00 N ATOM 714 CZ ARG A 47 -13.616 8.772 -3.943 1.00 0.00 C ATOM 715 NH1 ARG A 47 -12.866 9.867 -4.040 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -14.902 8.844 -4.171 1.00 0.00 N ATOM 0 H ARG A 47 -11.233 4.005 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.319 3.761 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.487 4.612 -3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.956 4.996 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.580 6.087 -1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.834 6.210 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.395 8.237 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.021 7.249 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.669 6.763 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.863 9.816 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.294 10.757 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.481 8.008 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.326 9.736 -4.426 1.00 0.00 H new ATOM 730 N GLY A 48 -11.274 1.403 -2.359 1.00 0.00 N ATOM 731 CA GLY A 48 -10.835 0.169 -2.952 1.00 0.00 C ATOM 732 C GLY A 48 -9.352 0.157 -3.204 1.00 0.00 C ATOM 733 O GLY A 48 -8.829 -0.775 -3.827 1.00 0.00 O ATOM 0 H GLY A 48 -11.135 1.464 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.097 -0.661 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.363 0.011 -3.892 1.00 0.00 H new ATOM 737 N PHE A 49 -8.667 1.182 -2.724 1.00 0.00 N ATOM 738 CA PHE A 49 -7.236 1.263 -2.860 1.00 0.00 C ATOM 739 C PHE A 49 -6.672 2.162 -1.755 1.00 0.00 C ATOM 740 O PHE A 49 -7.439 2.827 -1.030 1.00 0.00 O ATOM 741 CB PHE A 49 -6.823 1.778 -4.264 1.00 0.00 C ATOM 742 CG PHE A 49 -7.015 3.243 -4.503 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.256 3.769 -4.809 1.00 0.00 C ATOM 744 CD2 PHE A 49 -5.931 4.091 -4.426 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.412 5.123 -5.030 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.073 5.444 -4.644 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.318 5.965 -4.946 1.00 0.00 C ATOM 0 H PHE A 49 -9.090 1.971 -2.235 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.818 0.262 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.772 1.538 -4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.393 1.229 -5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.112 3.114 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.956 3.689 -4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.386 5.524 -5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.214 6.096 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.435 7.025 -5.116 1.00 0.00 H new ATOM 757 N GLY A 50 -5.374 2.159 -1.617 1.00 0.00 N ATOM 758 CA GLY A 50 -4.708 2.962 -0.636 1.00 0.00 C ATOM 759 C GLY A 50 -3.264 3.175 -1.014 1.00 0.00 C ATOM 760 O GLY A 50 -2.799 2.644 -2.035 1.00 0.00 O ATOM 0 H GLY A 50 -4.746 1.593 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.211 3.925 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.766 2.478 0.339 1.00 0.00 H new ATOM 764 N PHE A 51 -2.552 3.916 -0.208 1.00 0.00 N ATOM 765 CA PHE A 51 -1.161 4.206 -0.459 1.00 0.00 C ATOM 766 C PHE A 51 -0.323 3.833 0.729 1.00 0.00 C ATOM 767 O PHE A 51 -0.762 3.945 1.878 1.00 0.00 O ATOM 768 CB PHE A 51 -0.927 5.683 -0.796 1.00 0.00 C ATOM 769 CG PHE A 51 -1.416 6.120 -2.146 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.648 5.891 -3.274 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.618 6.784 -2.285 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.070 6.313 -4.516 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.053 7.207 -3.525 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.276 6.973 -4.642 1.00 0.00 C ATOM 0 H PHE A 51 -2.919 4.338 0.645 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.868 3.610 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.415 6.293 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.142 5.888 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.296 5.374 -3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.226 6.975 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.460 6.128 -5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.999 7.720 -3.621 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.611 7.306 -5.613 1.00 0.00 H new ATOM 784 N VAL A 52 0.860 3.369 0.462 1.00 0.00 N ATOM 785 CA VAL A 52 1.786 3.016 1.505 1.00 0.00 C ATOM 786 C VAL A 52 3.065 3.799 1.280 1.00 0.00 C ATOM 787 O VAL A 52 3.482 3.990 0.131 1.00 0.00 O ATOM 788 CB VAL A 52 2.126 1.490 1.508 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.935 1.116 2.738 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.876 0.634 1.421 1.00 0.00 C ATOM 0 H VAL A 52 1.214 3.223 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 52 1.326 3.252 2.465 1.00 0.00 H new ATOM 0 HB VAL A 52 2.728 1.294 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.158 0.049 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.867 1.682 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.361 1.348 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.155 -0.420 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.232 0.843 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.341 0.863 0.499 1.00 0.00 H new ATOM 800 N THR A 53 3.643 4.280 2.326 1.00 0.00 N ATOM 801 CA THR A 53 4.879 4.973 2.263 1.00 0.00 C ATOM 802 C THR A 53 5.974 4.101 2.843 1.00 0.00 C ATOM 803 O THR A 53 5.992 3.816 4.051 1.00 0.00 O ATOM 804 CB THR A 53 4.816 6.281 3.046 1.00 0.00 C ATOM 805 OG1 THR A 53 3.727 7.090 2.543 1.00 0.00 O ATOM 806 CG2 THR A 53 6.132 7.031 2.887 1.00 0.00 C ATOM 0 H THR A 53 3.260 4.200 3.268 1.00 0.00 H new ATOM 0 HA THR A 53 5.090 5.203 1.219 1.00 0.00 H new ATOM 0 HB THR A 53 4.649 6.068 4.102 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.945 6.984 3.124 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.088 7.966 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.949 6.418 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.303 7.247 1.832 1.00 0.00 H new ATOM 814 N PHE A 54 6.853 3.664 1.999 1.00 0.00 N ATOM 815 CA PHE A 54 7.943 2.852 2.421 1.00 0.00 C ATOM 816 C PHE A 54 9.170 3.680 2.668 1.00 0.00 C ATOM 817 O PHE A 54 9.322 4.772 2.111 1.00 0.00 O ATOM 818 CB PHE A 54 8.231 1.751 1.437 1.00 0.00 C ATOM 819 CG PHE A 54 7.168 0.698 1.392 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.122 -0.291 2.358 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.222 0.689 0.387 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.151 -1.267 2.321 1.00 0.00 C ATOM 823 CE2 PHE A 54 5.250 -0.285 0.347 1.00 0.00 C ATOM 824 CZ PHE A 54 5.215 -1.262 1.314 1.00 0.00 C ATOM 0 H PHE A 54 6.833 3.861 0.998 1.00 0.00 H new ATOM 0 HA PHE A 54 7.652 2.385 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.345 2.183 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.182 1.285 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.856 -0.298 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.245 1.454 -0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.125 -2.034 3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.515 -0.282 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.452 -2.026 1.282 1.00 0.00 H new ATOM 834 N LYS A 55 10.039 3.138 3.486 1.00 0.00 N ATOM 835 CA LYS A 55 11.253 3.802 3.936 1.00 0.00 C ATOM 836 C LYS A 55 12.338 3.846 2.838 1.00 0.00 C ATOM 837 O LYS A 55 13.374 4.503 3.009 1.00 0.00 O ATOM 838 CB LYS A 55 11.811 3.021 5.116 1.00 0.00 C ATOM 839 CG LYS A 55 12.804 3.782 5.980 1.00 0.00 C ATOM 840 CD LYS A 55 13.835 2.854 6.582 1.00 0.00 C ATOM 841 CE LYS A 55 15.150 2.966 5.828 1.00 0.00 C ATOM 842 NZ LYS A 55 15.030 2.697 4.369 1.00 0.00 N1+ ATOM 0 H LYS A 55 9.925 2.200 3.871 1.00 0.00 H new ATOM 0 HA LYS A 55 10.997 4.827 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.980 2.697 5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.296 2.120 4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.303 4.543 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.272 4.303 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.988 3.102 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.474 1.826 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.556 3.967 5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.866 2.267 6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.945 2.874 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.753 1.706 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.308 3.324 3.959 1.00 0.00 H new ATOM 856 N ASP A 56 12.146 3.090 1.783 1.00 0.00 N ATOM 857 CA ASP A 56 13.114 2.998 0.691 1.00 0.00 C ATOM 858 C ASP A 56 12.491 2.302 -0.469 1.00 0.00 C ATOM 859 O ASP A 56 11.323 1.893 -0.396 1.00 0.00 O ATOM 860 CB ASP A 56 14.413 2.259 1.095 1.00 0.00 C ATOM 861 CG ASP A 56 14.185 0.879 1.617 1.00 0.00 C ATOM 862 OD1 ASP A 56 14.075 -0.046 0.804 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 14.123 0.732 2.874 1.00 0.00 O ATOM 0 H ASP A 56 11.314 2.515 1.648 1.00 0.00 H new ATOM 0 HA ASP A 56 13.393 4.018 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.073 2.205 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.931 2.844 1.855 1.00 0.00 H new ATOM 868 N GLU A 57 13.264 2.135 -1.523 1.00 0.00 N ATOM 869 CA GLU A 57 12.761 1.553 -2.727 1.00 0.00 C ATOM 870 C GLU A 57 12.639 0.052 -2.620 1.00 0.00 C ATOM 871 O GLU A 57 11.655 -0.507 -3.076 1.00 0.00 O ATOM 872 CB GLU A 57 13.618 1.896 -3.937 1.00 0.00 C ATOM 873 CG GLU A 57 12.935 1.493 -5.228 1.00 0.00 C ATOM 874 CD GLU A 57 13.749 1.713 -6.458 1.00 0.00 C ATOM 875 OE1 GLU A 57 14.045 2.874 -6.785 1.00 0.00 O ATOM 876 OE2 GLU A 57 14.010 0.709 -7.165 1.00 0.00 O1- ATOM 0 H GLU A 57 14.248 2.400 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 57 11.769 1.983 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.821 2.967 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.580 1.390 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.669 0.438 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.004 2.052 -5.320 1.00 0.00 H new ATOM 883 N LYS A 58 13.597 -0.612 -1.984 1.00 0.00 N ATOM 884 CA LYS A 58 13.574 -2.054 -1.978 1.00 0.00 C ATOM 885 C LYS A 58 12.467 -2.541 -1.079 1.00 0.00 C ATOM 886 O LYS A 58 11.771 -3.467 -1.431 1.00 0.00 O ATOM 887 CB LYS A 58 14.922 -2.683 -1.610 1.00 0.00 C ATOM 888 CG LYS A 58 14.971 -4.211 -1.832 1.00 0.00 C ATOM 889 CD LYS A 58 14.838 -4.589 -3.328 1.00 0.00 C ATOM 890 CE LYS A 58 14.791 -6.118 -3.568 1.00 0.00 C ATOM 891 NZ LYS A 58 13.520 -6.747 -3.135 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.374 -0.183 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 58 13.377 -2.380 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.707 -2.213 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.140 -2.469 -0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.910 -4.603 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.168 -4.685 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.932 -4.136 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.678 -4.167 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.942 -6.316 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.619 -6.587 -3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.720 -7.669 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.046 -6.132 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.901 -6.882 -3.960 1.00 0.00 H new ATOM 905 N ALA A 59 12.251 -1.842 0.036 1.00 0.00 N ATOM 906 CA ALA A 59 11.141 -2.160 0.939 1.00 0.00 C ATOM 907 C ALA A 59 9.804 -2.069 0.183 1.00 0.00 C ATOM 908 O ALA A 59 8.861 -2.819 0.442 1.00 0.00 O ATOM 909 CB ALA A 59 11.151 -1.192 2.114 1.00 0.00 C ATOM 0 H ALA A 59 12.826 -1.055 0.336 1.00 0.00 H new ATOM 0 HA ALA A 59 11.258 -3.177 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.326 -1.427 2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.095 -1.283 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.040 -0.172 1.746 1.00 0.00 H new ATOM 915 N MET A 60 9.756 -1.154 -0.769 1.00 0.00 N ATOM 916 CA MET A 60 8.595 -0.962 -1.614 1.00 0.00 C ATOM 917 C MET A 60 8.533 -2.070 -2.672 1.00 0.00 C ATOM 918 O MET A 60 7.465 -2.616 -2.951 1.00 0.00 O ATOM 919 CB MET A 60 8.646 0.463 -2.226 1.00 0.00 C ATOM 920 CG MET A 60 7.524 0.843 -3.199 1.00 0.00 C ATOM 921 SD MET A 60 7.733 0.187 -4.868 1.00 0.00 S ATOM 922 CE MET A 60 9.307 0.901 -5.327 1.00 0.00 C ATOM 0 H MET A 60 10.528 -0.520 -0.977 1.00 0.00 H new ATOM 0 HA MET A 60 7.675 -1.035 -1.033 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.643 1.183 -1.408 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.598 0.575 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.575 0.487 -2.798 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.459 1.930 -3.254 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.197 1.454 -6.260 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.643 1.578 -4.541 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.042 0.107 -5.460 1.00 0.00 H new ATOM 932 N ARG A 61 9.695 -2.419 -3.219 1.00 0.00 N ATOM 933 CA ARG A 61 9.819 -3.486 -4.209 1.00 0.00 C ATOM 934 C ARG A 61 9.352 -4.803 -3.617 1.00 0.00 C ATOM 935 O ARG A 61 8.491 -5.449 -4.181 1.00 0.00 O ATOM 936 CB ARG A 61 11.271 -3.648 -4.697 1.00 0.00 C ATOM 937 CG ARG A 61 11.867 -2.464 -5.438 1.00 0.00 C ATOM 938 CD ARG A 61 11.165 -2.184 -6.751 1.00 0.00 C ATOM 939 NE ARG A 61 11.738 -1.010 -7.415 1.00 0.00 N ATOM 940 CZ ARG A 61 11.093 -0.193 -8.244 1.00 0.00 C ATOM 941 NH1 ARG A 61 9.856 -0.476 -8.671 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 11.693 0.895 -8.658 1.00 0.00 N ATOM 0 H ARG A 61 10.580 -1.968 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 61 9.196 -3.211 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.900 -3.863 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.317 -4.519 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.811 -1.579 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.923 -2.654 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.249 -3.052 -7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.102 -2.022 -6.571 1.00 0.00 H new ATOM 0 HE ARG A 61 12.718 -0.801 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.392 -1.330 -8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.377 0.162 -9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.641 1.105 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.213 1.532 -9.294 1.00 0.00 H new ATOM 956 N ASP A 62 9.892 -5.154 -2.446 1.00 0.00 N ATOM 957 CA ASP A 62 9.578 -6.420 -1.749 1.00 0.00 C ATOM 958 C ASP A 62 8.108 -6.566 -1.457 1.00 0.00 C ATOM 959 O ASP A 62 7.568 -7.673 -1.464 1.00 0.00 O ATOM 960 CB ASP A 62 10.397 -6.593 -0.452 1.00 0.00 C ATOM 961 CG ASP A 62 11.835 -6.966 -0.714 1.00 0.00 C ATOM 962 OD1 ASP A 62 12.121 -8.141 -0.985 1.00 0.00 O ATOM 963 OD2 ASP A 62 12.704 -6.077 -0.724 1.00 0.00 O1- ATOM 0 H ASP A 62 10.563 -4.570 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 62 9.864 -7.214 -2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.365 -5.665 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.933 -7.363 0.165 1.00 0.00 H new ATOM 968 N ALA A 63 7.437 -5.453 -1.248 1.00 0.00 N ATOM 969 CA ALA A 63 6.021 -5.479 -0.973 1.00 0.00 C ATOM 970 C ALA A 63 5.264 -5.860 -2.230 1.00 0.00 C ATOM 971 O ALA A 63 4.252 -6.541 -2.182 1.00 0.00 O ATOM 972 CB ALA A 63 5.565 -4.145 -0.464 1.00 0.00 C ATOM 0 H ALA A 63 7.851 -4.521 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 63 5.819 -6.223 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.495 -4.180 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.101 -3.903 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.767 -3.381 -1.214 1.00 0.00 H new ATOM 978 N ILE A 64 5.787 -5.438 -3.348 1.00 0.00 N ATOM 979 CA ILE A 64 5.225 -5.763 -4.631 1.00 0.00 C ATOM 980 C ILE A 64 5.563 -7.211 -4.963 1.00 0.00 C ATOM 981 O ILE A 64 4.680 -8.019 -5.221 1.00 0.00 O ATOM 982 CB ILE A 64 5.788 -4.820 -5.729 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.404 -3.369 -5.417 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.290 -5.229 -7.120 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.066 -2.345 -6.299 1.00 0.00 C ATOM 0 H ILE A 64 6.622 -4.854 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 64 4.143 -5.633 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 64 6.875 -4.904 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.323 -3.265 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.658 -3.154 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.701 -4.550 -7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.613 -6.247 -7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.201 -5.181 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.737 -1.347 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.148 -2.417 -6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.793 -2.529 -7.338 1.00 0.00 H new ATOM 997 N GLU A 65 6.843 -7.526 -4.871 1.00 0.00 N ATOM 998 CA GLU A 65 7.381 -8.825 -5.211 1.00 0.00 C ATOM 999 C GLU A 65 6.759 -9.949 -4.368 1.00 0.00 C ATOM 1000 O GLU A 65 6.476 -11.028 -4.879 1.00 0.00 O ATOM 1001 CB GLU A 65 8.916 -8.808 -5.051 1.00 0.00 C ATOM 1002 CG GLU A 65 9.649 -7.786 -5.934 1.00 0.00 C ATOM 1003 CD GLU A 65 11.147 -7.660 -5.612 1.00 0.00 C ATOM 1004 OE1 GLU A 65 11.944 -8.450 -6.119 1.00 0.00 O ATOM 1005 OE2 GLU A 65 11.534 -6.730 -4.852 1.00 0.00 O1- ATOM 0 H GLU A 65 7.552 -6.867 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 65 7.126 -9.033 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.155 -8.602 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.301 -9.803 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.533 -8.072 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.177 -6.811 -5.816 1.00 0.00 H new ATOM 1012 N GLY A 66 6.538 -9.687 -3.100 1.00 0.00 N ATOM 1013 CA GLY A 66 6.002 -10.706 -2.241 1.00 0.00 C ATOM 1014 C GLY A 66 4.496 -10.652 -2.061 1.00 0.00 C ATOM 1015 O GLY A 66 3.896 -11.638 -1.655 1.00 0.00 O ATOM 0 H GLY A 66 6.719 -8.790 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.272 -11.682 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.475 -10.624 -1.262 1.00 0.00 H new ATOM 1019 N MET A 67 3.868 -9.521 -2.347 1.00 0.00 N ATOM 1020 CA MET A 67 2.433 -9.415 -2.084 1.00 0.00 C ATOM 1021 C MET A 67 1.551 -9.124 -3.281 1.00 0.00 C ATOM 1022 O MET A 67 0.319 -9.113 -3.137 1.00 0.00 O ATOM 1023 CB MET A 67 2.108 -8.463 -0.923 1.00 0.00 C ATOM 1024 CG MET A 67 2.467 -9.031 0.428 1.00 0.00 C ATOM 1025 SD MET A 67 1.982 -7.985 1.815 1.00 0.00 S ATOM 1026 CE MET A 67 2.377 -9.067 3.183 1.00 0.00 C ATOM 0 H MET A 67 4.305 -8.690 -2.746 1.00 0.00 H new ATOM 0 HA MET A 67 2.175 -10.432 -1.789 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.643 -7.525 -1.070 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.044 -8.229 -0.941 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.993 -10.006 0.538 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.544 -9.194 0.468 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.704 -8.861 4.015 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.262 -10.105 2.871 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.406 -8.895 3.498 1.00 0.00 H new ATOM 1036 N ASN A 68 2.103 -8.882 -4.453 1.00 0.00 N ATOM 1037 CA ASN A 68 1.211 -8.622 -5.577 1.00 0.00 C ATOM 1038 C ASN A 68 0.537 -9.908 -6.037 1.00 0.00 C ATOM 1039 O ASN A 68 1.192 -10.841 -6.469 1.00 0.00 O ATOM 1040 CB ASN A 68 1.911 -7.906 -6.746 1.00 0.00 C ATOM 1041 CG ASN A 68 0.985 -7.595 -7.943 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.310 -7.407 -7.707 1.00 0.00 O flip ATOM 1043 ND2 ASN A 68 1.431 -7.524 -9.070 1.00 0.00 N flip ATOM 0 H ASN A 68 3.103 -8.859 -4.653 1.00 0.00 H new ATOM 0 HA ASN A 68 0.443 -7.936 -5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.341 -6.973 -6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.739 -8.524 -7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.427 -7.671 -9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.810 -7.318 -9.852 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.776 -9.950 -5.905 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.519 -11.094 -6.351 1.00 0.00 C ATOM 1052 C GLY A 69 -2.124 -11.890 -5.218 1.00 0.00 C ATOM 1053 O GLY A 69 -3.028 -12.701 -5.449 1.00 0.00 O ATOM 0 H GLY A 69 -1.339 -9.206 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.314 -10.764 -7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.862 -11.742 -6.931 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.663 -11.657 -3.990 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.194 -12.404 -2.847 1.00 0.00 C ATOM 1059 C GLN A 70 -3.582 -11.900 -2.471 1.00 0.00 C ATOM 1060 O GLN A 70 -4.019 -10.834 -2.945 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.274 -12.347 -1.615 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.166 -10.974 -0.975 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.434 -10.995 0.349 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.441 -11.811 0.583 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -0.795 -10.097 1.228 1.00 0.00 N ATOM 0 H GLN A 70 -0.940 -10.974 -3.762 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.253 -13.445 -3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.640 -13.054 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.277 -12.678 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.650 -10.300 -1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.167 -10.570 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.531 -9.428 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.341 -10.065 2.141 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.244 -12.640 -1.610 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.591 -12.307 -1.194 1.00 0.00 C ATOM 1076 C ASP A 71 -5.574 -11.461 0.053 1.00 0.00 C ATOM 1077 O ASP A 71 -4.722 -11.639 0.938 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.439 -13.572 -0.925 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.901 -13.250 -0.548 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -8.192 -12.945 0.643 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.758 -13.296 -1.430 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.868 -13.485 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.042 -11.748 -2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.429 -14.204 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.980 -14.146 -0.120 1.00 0.00 H new ATOM 1086 N LEU A 72 -6.456 -10.515 0.084 1.00 0.00 N ATOM 1087 CA LEU A 72 -6.741 -9.754 1.249 1.00 0.00 C ATOM 1088 C LEU A 72 -8.235 -9.504 1.261 1.00 0.00 C ATOM 1089 O LEU A 72 -8.747 -8.727 0.452 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.934 -8.438 1.273 1.00 0.00 C ATOM 1091 CG LEU A 72 -6.172 -7.495 2.471 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -5.956 -8.218 3.791 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -5.247 -6.289 2.383 1.00 0.00 C ATOM 0 H LEU A 72 -7.013 -10.245 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.445 -10.297 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.874 -8.690 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.155 -7.887 0.359 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.208 -7.158 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.131 -7.528 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.650 -9.056 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.932 -8.589 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.425 -5.631 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.210 -6.624 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.443 -5.747 1.458 1.00 0.00 H new ATOM 1105 N ASP A 73 -8.910 -10.209 2.162 1.00 0.00 N ATOM 1106 CA ASP A 73 -10.371 -10.168 2.345 1.00 0.00 C ATOM 1107 C ASP A 73 -11.137 -10.406 1.019 1.00 0.00 C ATOM 1108 O ASP A 73 -11.929 -9.577 0.554 1.00 0.00 O ATOM 1109 CB ASP A 73 -10.849 -8.908 3.154 1.00 0.00 C ATOM 1110 CG ASP A 73 -12.390 -8.733 3.282 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -13.050 -9.629 3.800 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -12.932 -7.641 2.853 1.00 0.00 O ATOM 0 H ASP A 73 -8.448 -10.848 2.810 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.635 -11.014 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.423 -8.960 4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.439 -8.017 2.679 1.00 0.00 H new ATOM 1117 N GLY A 74 -10.792 -11.501 0.350 1.00 0.00 N ATOM 1118 CA GLY A 74 -11.510 -11.912 -0.847 1.00 0.00 C ATOM 1119 C GLY A 74 -11.141 -11.114 -2.086 1.00 0.00 C ATOM 1120 O GLY A 74 -11.947 -10.991 -3.021 1.00 0.00 O ATOM 0 H GLY A 74 -10.023 -12.116 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.313 -12.968 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.581 -11.815 -0.669 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.963 -10.532 -2.085 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.467 -9.773 -3.227 1.00 0.00 C ATOM 1126 C ARG A 75 -8.051 -10.064 -3.473 1.00 0.00 C ATOM 1127 O ARG A 75 -7.309 -10.389 -2.570 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.550 -8.251 -3.085 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.883 -7.608 -3.309 1.00 0.00 C ATOM 1130 CD ARG A 75 -11.811 -7.896 -2.180 1.00 0.00 C ATOM 1131 NE ARG A 75 -13.028 -7.087 -2.229 1.00 0.00 N ATOM 1132 CZ ARG A 75 -13.921 -7.012 -1.235 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -13.776 -7.761 -0.136 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -14.949 -6.182 -1.337 1.00 0.00 N ATOM 0 H ARG A 75 -9.317 -10.567 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.122 -10.089 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.214 -7.988 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.841 -7.809 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.758 -6.530 -3.416 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.315 -7.972 -4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.081 -8.952 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.296 -7.714 -1.237 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.208 -6.545 -3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.981 -8.394 -0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.460 -7.699 0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.057 -5.604 -2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.632 -6.121 -0.582 1.00 0.00 H new ATOM 1148 N ASN A 76 -7.667 -9.841 -4.673 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.298 -9.995 -5.079 1.00 0.00 C ATOM 1150 C ASN A 76 -5.725 -8.631 -5.168 1.00 0.00 C ATOM 1151 O ASN A 76 -6.063 -7.850 -6.066 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.161 -10.717 -6.425 1.00 0.00 C ATOM 1153 CG ASN A 76 -6.676 -12.144 -6.408 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -7.834 -12.397 -6.707 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.821 -13.087 -6.075 1.00 0.00 N ATOM 0 H ASN A 76 -8.293 -9.542 -5.421 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.769 -10.612 -4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.702 -10.154 -7.186 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.111 -10.723 -6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.118 -14.063 -6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.861 -12.842 -5.831 1.00 0.00 H new ATOM 1162 N ILE A 77 -4.887 -8.328 -4.241 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.343 -7.016 -4.135 1.00 0.00 C ATOM 1164 C ILE A 77 -3.257 -6.741 -5.156 1.00 0.00 C ATOM 1165 O ILE A 77 -2.346 -7.568 -5.403 1.00 0.00 O ATOM 1166 CB ILE A 77 -3.845 -6.698 -2.719 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -2.871 -7.770 -2.241 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.031 -6.602 -1.774 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.064 -7.356 -1.041 1.00 0.00 C ATOM 0 H ILE A 77 -4.557 -8.983 -3.532 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.173 -6.345 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.319 -5.743 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.429 -8.675 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.192 -8.022 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.677 -6.376 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.700 -5.810 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.567 -7.551 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.393 -8.167 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.479 -6.469 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.734 -7.132 -0.211 1.00 0.00 H new ATOM 1181 N THR A 78 -3.354 -5.601 -5.748 1.00 0.00 N ATOM 1182 CA THR A 78 -2.421 -5.168 -6.712 1.00 0.00 C ATOM 1183 C THR A 78 -1.515 -4.147 -6.057 1.00 0.00 C ATOM 1184 O THR A 78 -1.956 -3.065 -5.668 1.00 0.00 O ATOM 1185 CB THR A 78 -3.154 -4.549 -7.912 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.120 -5.494 -8.389 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.178 -4.216 -9.038 1.00 0.00 C ATOM 0 H THR A 78 -4.104 -4.934 -5.566 1.00 0.00 H new ATOM 0 HA THR A 78 -1.831 -6.008 -7.078 1.00 0.00 H new ATOM 0 HB THR A 78 -3.638 -3.625 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.599 -5.114 -9.155 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.723 -3.779 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.436 -3.504 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.677 -5.127 -9.367 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.272 -4.495 -5.941 1.00 0.00 N ATOM 1196 CA VAL A 79 0.698 -3.673 -5.280 1.00 0.00 C ATOM 1197 C VAL A 79 1.659 -3.210 -6.342 1.00 0.00 C ATOM 1198 O VAL A 79 2.251 -4.034 -7.022 1.00 0.00 O ATOM 1199 CB VAL A 79 1.477 -4.500 -4.212 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.357 -3.611 -3.354 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.531 -5.321 -3.342 1.00 0.00 C ATOM 0 H VAL A 79 0.105 -5.369 -6.307 1.00 0.00 H new ATOM 0 HA VAL A 79 0.214 -2.837 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 79 2.123 -5.192 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.885 -4.221 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.080 -3.096 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.739 -2.877 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.108 -5.885 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.159 -4.654 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.033 -6.012 -3.969 1.00 0.00 H new ATOM 1211 N ASN A 80 1.760 -1.928 -6.542 1.00 0.00 N ATOM 1212 CA ASN A 80 2.645 -1.415 -7.565 1.00 0.00 C ATOM 1213 C ASN A 80 3.332 -0.155 -7.106 1.00 0.00 C ATOM 1214 O ASN A 80 2.957 0.441 -6.084 1.00 0.00 O ATOM 1215 CB ASN A 80 1.913 -1.174 -8.908 1.00 0.00 C ATOM 1216 CG ASN A 80 0.829 -0.106 -8.844 1.00 0.00 C ATOM 1217 OD1 ASN A 80 1.081 1.059 -9.045 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.386 -0.510 -8.588 1.00 0.00 N ATOM 0 H ASN A 80 1.248 -1.218 -6.019 1.00 0.00 H new ATOM 0 HA ASN A 80 3.401 -2.181 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.646 -0.887 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.465 -2.111 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.151 0.164 -8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.570 -1.499 -8.422 1.00 0.00 H new ATOM 1225 N GLU A 81 4.339 0.224 -7.835 1.00 0.00 N ATOM 1226 CA GLU A 81 5.112 1.396 -7.556 1.00 0.00 C ATOM 1227 C GLU A 81 4.317 2.616 -7.978 1.00 0.00 C ATOM 1228 O GLU A 81 3.916 2.726 -9.125 1.00 0.00 O ATOM 1229 CB GLU A 81 6.433 1.307 -8.314 1.00 0.00 C ATOM 1230 CG GLU A 81 7.326 2.524 -8.204 1.00 0.00 C ATOM 1231 CD GLU A 81 8.616 2.341 -8.948 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.642 1.629 -9.980 1.00 0.00 O1- ATOM 1233 OE2 GLU A 81 9.634 2.870 -8.526 1.00 0.00 O ATOM 0 H GLU A 81 4.653 -0.286 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 81 5.330 1.475 -6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.983 0.439 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.217 1.129 -9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.802 3.396 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.538 2.725 -7.154 1.00 0.00 H new ATOM 1240 N ALA A 82 4.115 3.531 -7.056 1.00 0.00 N ATOM 1241 CA ALA A 82 3.293 4.699 -7.315 1.00 0.00 C ATOM 1242 C ALA A 82 4.119 5.859 -7.856 1.00 0.00 C ATOM 1243 O ALA A 82 3.703 7.017 -7.802 1.00 0.00 O ATOM 1244 CB ALA A 82 2.548 5.097 -6.062 1.00 0.00 C ATOM 0 H ALA A 82 4.509 3.491 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 82 2.567 4.439 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.934 5.974 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.909 4.274 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.262 5.330 -5.273 1.00 0.00 H new ATOM 1250 N GLN A 83 5.281 5.549 -8.373 1.00 0.00 N ATOM 1251 CA GLN A 83 6.080 6.541 -9.023 1.00 0.00 C ATOM 1252 C GLN A 83 5.753 6.463 -10.518 1.00 0.00 C ATOM 1253 O GLN A 83 5.382 5.397 -10.997 1.00 0.00 O ATOM 1254 CB GLN A 83 7.590 6.337 -8.777 1.00 0.00 C ATOM 1255 CG GLN A 83 8.457 7.426 -9.434 1.00 0.00 C ATOM 1256 CD GLN A 83 9.946 7.285 -9.178 1.00 0.00 C ATOM 1257 OE1 GLN A 83 10.766 7.637 -10.022 1.00 0.00 O ATOM 1258 NE2 GLN A 83 10.305 6.795 -8.032 1.00 0.00 N ATOM 0 H GLN A 83 5.690 4.615 -8.353 1.00 0.00 H new ATOM 0 HA GLN A 83 5.848 7.526 -8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.780 6.327 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.887 5.362 -9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.283 7.411 -10.510 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.130 8.401 -9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.597 6.513 -7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.295 6.692 -7.809 1.00 0.00 H new ATOM 1267 N SER A 84 5.855 7.573 -11.227 1.00 0.00 N ATOM 1268 CA SER A 84 5.543 7.642 -12.645 1.00 0.00 C ATOM 1269 C SER A 84 6.306 6.577 -13.477 1.00 0.00 C ATOM 1270 O SER A 84 7.541 6.635 -13.633 1.00 0.00 O ATOM 1271 CB SER A 84 5.865 9.043 -13.133 1.00 0.00 C ATOM 1272 OG SER A 84 5.266 10.003 -12.268 1.00 0.00 O ATOM 0 H SER A 84 6.160 8.462 -10.831 1.00 0.00 H new ATOM 0 HA SER A 84 4.484 7.424 -12.781 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.945 9.189 -13.162 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.498 9.177 -14.151 1.00 0.00 H new ATOM 0 HG SER A 84 5.477 10.906 -12.585 1.00 0.00 H new ATOM 1278 N ARG A 85 5.566 5.587 -13.954 1.00 0.00 N ATOM 1279 CA ARG A 85 6.105 4.523 -14.794 1.00 0.00 C ATOM 1280 C ARG A 85 5.268 4.412 -16.051 1.00 0.00 C ATOM 1281 O ARG A 85 4.222 5.059 -16.144 1.00 0.00 O ATOM 1282 CB ARG A 85 6.109 3.164 -14.056 1.00 0.00 C ATOM 1283 CG ARG A 85 6.924 3.140 -12.768 1.00 0.00 C ATOM 1284 CD ARG A 85 8.369 3.535 -13.018 1.00 0.00 C ATOM 1285 NE ARG A 85 9.138 3.597 -11.783 1.00 0.00 N ATOM 1286 CZ ARG A 85 10.008 4.564 -11.455 1.00 0.00 C ATOM 1287 NH1 ARG A 85 10.142 5.648 -12.230 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 10.663 4.496 -10.310 1.00 0.00 N ATOM 0 H ARG A 85 4.567 5.497 -13.769 1.00 0.00 H new ATOM 0 HA ARG A 85 7.136 4.773 -15.044 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.080 2.889 -13.824 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.498 2.401 -14.730 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.480 3.821 -12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.889 2.142 -12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.829 2.817 -13.696 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.399 4.506 -13.513 1.00 0.00 H new ATOM 0 HE ARG A 85 9.004 2.842 -11.111 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.580 5.743 -13.076 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.806 6.379 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.506 3.710 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.325 5.229 -10.057 1.00 0.00 H new TER 1302 ARG A 85