USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 41 SER OG : rot 128:sc= 1.52 USER MOD Set 1.2: A 57 CYS SG : rot -112:sc= -0.836! USER MOD Set 2.1: A 8 ASN :FLIP amide:sc= -0.97 F(o=-2.5,f=-0.79) USER MOD Set 2.2: A 19 GLN : amide:sc= 0.179 K(o=-0.79,f=-10!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= 0.189 (180deg=0.085) USER MOD Single : A 25 TYR OH : rot -39:sc= -2.96! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= -0.08 (180deg=-1.54) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -31:sc= 1.04 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.776 F(o=-3.4!,f=-0.78) USER MOD Single : A 40 TYR OH : rot 130:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -103:sc= -1.17! USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.0649 (180deg=-1.16!) USER MOD Single : A 68 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.64) USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -1.11 (180deg=-1.82) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -11.095 13.875 13.165 1.00 0.00 N ATOM 2 CA GLU A 3 -10.508 13.357 11.898 1.00 0.00 C ATOM 3 C GLU A 3 -10.563 11.826 11.899 1.00 0.00 C ATOM 4 O GLU A 3 -9.759 11.164 12.527 1.00 0.00 O ATOM 5 CB GLU A 3 -9.055 13.829 11.782 1.00 0.00 C ATOM 6 CG GLU A 3 -8.497 13.452 10.408 1.00 0.00 C ATOM 7 CD GLU A 3 -7.172 14.183 10.180 1.00 0.00 C ATOM 8 OE1 GLU A 3 -6.540 14.542 11.160 1.00 0.00 O ATOM 9 OE2 GLU A 3 -6.811 14.373 9.030 1.00 0.00 O ATOM 0 HA GLU A 3 -11.076 13.734 11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.001 14.908 11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.451 13.374 12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.346 12.374 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.211 13.718 9.628 1.00 0.00 H new ATOM 16 N LYS A 4 -11.510 11.267 11.196 1.00 0.00 N ATOM 17 CA LYS A 4 -11.641 9.781 11.134 1.00 0.00 C ATOM 18 C LYS A 4 -12.301 9.412 9.810 1.00 0.00 C ATOM 19 O LYS A 4 -13.510 9.338 9.707 1.00 0.00 O ATOM 20 CB LYS A 4 -12.510 9.282 12.297 1.00 0.00 C ATOM 21 CG LYS A 4 -11.749 9.428 13.632 1.00 0.00 C ATOM 22 CD LYS A 4 -12.316 8.449 14.679 1.00 0.00 C ATOM 23 CE LYS A 4 -11.655 7.074 14.522 1.00 0.00 C ATOM 24 NZ LYS A 4 -12.485 6.039 15.201 1.00 0.00 N ATOM 0 H LYS A 4 -12.206 11.781 10.656 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.657 9.318 11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.439 9.850 12.336 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.781 8.238 12.137 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.688 9.232 13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.834 10.451 13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.139 8.834 15.683 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.396 8.359 14.558 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.545 6.831 13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.653 7.090 14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.035 5.108 15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.568 6.269 16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.432 6.017 14.772 1.00 0.00 H new ATOM 38 N ARG A 5 -11.516 9.193 8.790 1.00 0.00 N ATOM 39 CA ARG A 5 -12.094 8.843 7.459 1.00 0.00 C ATOM 40 C ARG A 5 -12.260 7.320 7.367 1.00 0.00 C ATOM 41 O ARG A 5 -11.529 6.570 7.982 1.00 0.00 O ATOM 42 CB ARG A 5 -11.150 9.355 6.344 1.00 0.00 C ATOM 43 CG ARG A 5 -11.961 9.817 5.106 1.00 0.00 C ATOM 44 CD ARG A 5 -12.263 11.327 5.192 1.00 0.00 C ATOM 45 NE ARG A 5 -12.473 11.727 6.611 1.00 0.00 N ATOM 46 CZ ARG A 5 -12.400 12.987 6.955 1.00 0.00 C ATOM 47 NH1 ARG A 5 -12.113 13.896 6.066 1.00 0.00 N ATOM 48 NH2 ARG A 5 -12.606 13.335 8.196 1.00 0.00 N ATOM 0 H ARG A 5 -10.498 9.241 8.820 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.070 9.312 7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.550 10.183 6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.457 8.564 6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.400 9.603 4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.894 9.256 5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.437 11.896 4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.151 11.562 4.605 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.674 11.018 7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.944 13.626 5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.057 14.877 6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.823 12.625 8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.550 14.317 8.466 1.00 0.00 H new ATOM 62 N ARG A 6 -13.219 6.866 6.602 1.00 0.00 N ATOM 63 CA ARG A 6 -13.453 5.393 6.454 1.00 0.00 C ATOM 64 C ARG A 6 -13.640 5.053 4.976 1.00 0.00 C ATOM 65 O ARG A 6 -13.793 5.926 4.146 1.00 0.00 O ATOM 66 CB ARG A 6 -14.698 4.996 7.255 1.00 0.00 C ATOM 67 CG ARG A 6 -14.352 4.979 8.754 1.00 0.00 C ATOM 68 CD ARG A 6 -15.572 4.545 9.582 1.00 0.00 C ATOM 69 NE ARG A 6 -16.411 5.749 9.908 1.00 0.00 N ATOM 70 CZ ARG A 6 -15.947 6.729 10.635 1.00 0.00 C ATOM 71 NH1 ARG A 6 -14.792 6.613 11.236 1.00 0.00 N ATOM 72 NH2 ARG A 6 -16.655 7.812 10.800 1.00 0.00 N ATOM 0 H ARG A 6 -13.857 7.456 6.068 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.594 4.840 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.507 5.701 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.050 4.014 6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.521 4.297 8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.025 5.970 9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.162 3.817 9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.246 4.056 10.500 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.366 5.801 9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.250 5.755 11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.433 7.381 11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.572 7.894 10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.292 8.577 11.368 1.00 0.00 H new ATOM 86 N ASP A 7 -13.607 3.791 4.631 1.00 0.00 N ATOM 87 CA ASP A 7 -13.763 3.402 3.197 1.00 0.00 C ATOM 88 C ASP A 7 -15.236 3.149 2.888 1.00 0.00 C ATOM 89 O ASP A 7 -16.100 3.319 3.726 1.00 0.00 O ATOM 90 CB ASP A 7 -12.958 2.131 2.913 1.00 0.00 C ATOM 91 CG ASP A 7 -13.582 0.941 3.649 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.437 1.172 4.489 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.196 -0.178 3.355 1.00 0.00 O ATOM 0 H ASP A 7 -13.479 3.014 5.279 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.394 4.212 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.937 1.936 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.925 2.266 3.233 1.00 0.00 H new ATOM 98 N ASN A 8 -15.525 2.743 1.686 1.00 0.00 N ATOM 99 CA ASN A 8 -16.939 2.482 1.309 1.00 0.00 C ATOM 100 C ASN A 8 -17.499 1.337 2.163 1.00 0.00 C ATOM 101 O ASN A 8 -18.684 1.072 2.149 1.00 0.00 O ATOM 102 CB ASN A 8 -17.003 2.104 -0.172 1.00 0.00 C ATOM 103 CG ASN A 8 -16.690 3.333 -1.032 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.799 3.244 -1.986 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 -17.260 4.388 -0.830 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.841 2.580 0.947 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.535 3.378 1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.290 1.308 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.993 1.719 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.955 4.458 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -17.043 5.203 -1.404 1.00 0.00 H new ATOM 112 N ARG A 9 -16.661 0.655 2.914 1.00 0.00 N ATOM 113 CA ARG A 9 -17.152 -0.470 3.771 1.00 0.00 C ATOM 114 C ARG A 9 -17.278 -0.004 5.229 1.00 0.00 C ATOM 115 O ARG A 9 -18.365 0.163 5.739 1.00 0.00 O ATOM 116 CB ARG A 9 -16.160 -1.630 3.697 1.00 0.00 C ATOM 117 CG ARG A 9 -16.114 -2.194 2.268 1.00 0.00 C ATOM 118 CD ARG A 9 -17.443 -2.883 1.911 1.00 0.00 C ATOM 119 NE ARG A 9 -18.358 -1.898 1.268 1.00 0.00 N ATOM 120 CZ ARG A 9 -19.406 -2.315 0.611 1.00 0.00 C ATOM 121 NH1 ARG A 9 -19.671 -3.591 0.537 1.00 0.00 N ATOM 122 NH2 ARG A 9 -20.194 -1.454 0.026 1.00 0.00 N ATOM 0 H ARG A 9 -15.658 0.831 2.968 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.129 -0.793 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.168 -1.290 3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.452 -2.413 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.915 -1.389 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.294 -2.907 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.261 -3.720 1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.905 -3.292 2.809 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.166 -0.899 1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.058 -4.266 0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.491 -3.913 0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.991 -0.456 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.013 -1.779 -0.488 1.00 0.00 H new ATOM 136 N GLY A 10 -16.178 0.204 5.903 1.00 0.00 N ATOM 137 CA GLY A 10 -16.253 0.655 7.328 1.00 0.00 C ATOM 138 C GLY A 10 -14.877 0.577 8.001 1.00 0.00 C ATOM 139 O GLY A 10 -14.753 0.784 9.193 1.00 0.00 O ATOM 0 H GLY A 10 -15.235 0.083 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.625 1.679 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.964 0.034 7.873 1.00 0.00 H new ATOM 143 N ARG A 11 -13.837 0.288 7.263 1.00 0.00 N ATOM 144 CA ARG A 11 -12.483 0.209 7.879 1.00 0.00 C ATOM 145 C ARG A 11 -11.847 1.598 7.866 1.00 0.00 C ATOM 146 O ARG A 11 -11.921 2.314 6.888 1.00 0.00 O ATOM 147 CB ARG A 11 -11.618 -0.757 7.073 1.00 0.00 C ATOM 148 CG ARG A 11 -12.283 -2.135 7.068 1.00 0.00 C ATOM 149 CD ARG A 11 -11.447 -3.123 6.245 1.00 0.00 C ATOM 150 NE ARG A 11 -11.825 -3.011 4.810 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.084 -3.575 3.903 1.00 0.00 C ATOM 152 NH1 ARG A 11 -10.021 -4.238 4.256 1.00 0.00 N ATOM 153 NH2 ARG A 11 -11.408 -3.480 2.643 1.00 0.00 N ATOM 0 H ARG A 11 -13.869 0.104 6.260 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.563 -0.147 8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.498 -0.393 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.621 -0.822 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.389 -2.500 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.287 -2.061 6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.385 -2.912 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.613 -4.141 6.598 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.662 -2.494 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.771 -4.314 5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.438 -4.682 3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.243 -2.963 2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.826 -3.923 1.932 1.00 0.00 H new ATOM 167 N ILE A 12 -11.225 1.990 8.945 1.00 0.00 N ATOM 168 CA ILE A 12 -10.591 3.337 8.984 1.00 0.00 C ATOM 169 C ILE A 12 -9.211 3.272 8.324 1.00 0.00 C ATOM 170 O ILE A 12 -8.291 2.668 8.840 1.00 0.00 O ATOM 171 CB ILE A 12 -10.455 3.793 10.438 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.852 4.016 11.030 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.658 5.102 10.501 1.00 0.00 C ATOM 174 CD1 ILE A 12 -11.763 4.059 12.554 1.00 0.00 C ATOM 0 H ILE A 12 -11.129 1.438 9.797 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.212 4.050 8.442 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.930 3.027 11.010 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.272 4.949 10.654 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.522 3.215 10.717 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.565 5.422 11.539 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.665 4.944 10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.177 5.872 9.930 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.757 4.218 12.972 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.361 3.115 12.922 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.107 4.875 12.857 1.00 0.00 H new ATOM 186 N LEU A 13 -9.058 3.903 7.188 1.00 0.00 N ATOM 187 CA LEU A 13 -7.736 3.893 6.493 1.00 0.00 C ATOM 188 C LEU A 13 -6.916 5.082 6.998 1.00 0.00 C ATOM 189 O LEU A 13 -7.460 6.098 7.382 1.00 0.00 O ATOM 190 CB LEU A 13 -7.950 4.011 4.976 1.00 0.00 C ATOM 191 CG LEU A 13 -8.971 5.140 4.656 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.569 5.890 3.377 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.371 4.540 4.448 1.00 0.00 C ATOM 0 H LEU A 13 -9.793 4.425 6.711 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.208 2.962 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.000 4.221 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.311 3.062 4.579 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.979 5.833 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.297 6.675 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.583 6.335 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.542 5.193 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.079 5.338 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.345 3.835 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.683 4.021 5.355 1.00 0.00 H new ATOM 205 N LYS A 14 -5.612 4.968 7.026 1.00 0.00 N ATOM 206 CA LYS A 14 -4.779 6.101 7.539 1.00 0.00 C ATOM 207 C LYS A 14 -4.482 7.104 6.432 1.00 0.00 C ATOM 208 O LYS A 14 -4.898 6.964 5.300 1.00 0.00 O ATOM 209 CB LYS A 14 -3.446 5.586 8.077 1.00 0.00 C ATOM 210 CG LYS A 14 -3.687 4.576 9.203 1.00 0.00 C ATOM 211 CD LYS A 14 -4.375 5.273 10.395 1.00 0.00 C ATOM 212 CE LYS A 14 -4.057 4.527 11.691 1.00 0.00 C ATOM 213 NZ LYS A 14 -4.918 5.047 12.790 1.00 0.00 N ATOM 0 H LYS A 14 -5.090 4.147 6.719 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.346 6.584 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.877 5.118 7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.848 6.419 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.308 3.757 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.740 4.141 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.036 6.306 10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.453 5.302 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.225 3.458 11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.005 4.655 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.701 4.539 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.737 6.062 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.918 4.903 12.545 1.00 0.00 H new ATOM 227 N THR A 15 -3.756 8.126 6.779 1.00 0.00 N ATOM 228 CA THR A 15 -3.396 9.186 5.787 1.00 0.00 C ATOM 229 C THR A 15 -2.630 8.583 4.604 1.00 0.00 C ATOM 230 O THR A 15 -1.845 7.670 4.758 1.00 0.00 O ATOM 231 CB THR A 15 -2.521 10.257 6.458 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.002 11.126 5.463 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.363 9.594 7.214 1.00 0.00 C ATOM 0 H THR A 15 -3.390 8.278 7.719 1.00 0.00 H new ATOM 0 HA THR A 15 -4.318 9.637 5.422 1.00 0.00 H new ATOM 0 HB THR A 15 -3.126 10.824 7.165 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.445 11.812 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.749 10.362 7.686 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.762 8.928 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.753 9.021 6.516 1.00 0.00 H new ATOM 241 N GLY A 16 -2.832 9.115 3.426 1.00 0.00 N ATOM 242 CA GLY A 16 -2.094 8.615 2.223 1.00 0.00 C ATOM 243 C GLY A 16 -2.908 7.557 1.475 1.00 0.00 C ATOM 244 O GLY A 16 -2.930 7.528 0.260 1.00 0.00 O ATOM 0 H GLY A 16 -3.481 9.880 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.875 9.448 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.137 8.192 2.530 1.00 0.00 H new ATOM 248 N GLU A 17 -3.570 6.680 2.173 1.00 0.00 N ATOM 249 CA GLU A 17 -4.361 5.632 1.473 1.00 0.00 C ATOM 250 C GLU A 17 -5.608 6.255 0.835 1.00 0.00 C ATOM 251 O GLU A 17 -6.123 7.252 1.300 1.00 0.00 O ATOM 252 CB GLU A 17 -4.780 4.561 2.481 1.00 0.00 C ATOM 253 CG GLU A 17 -3.571 3.702 2.877 1.00 0.00 C ATOM 254 CD GLU A 17 -2.658 4.484 3.828 1.00 0.00 C ATOM 255 OE1 GLU A 17 -3.122 5.452 4.408 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.509 4.096 3.965 1.00 0.00 O ATOM 0 H GLU A 17 -3.598 6.643 3.192 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.751 5.182 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.206 5.032 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.558 3.930 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.909 2.784 3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.016 3.409 1.986 1.00 0.00 H new ATOM 263 N SER A 18 -6.095 5.668 -0.232 1.00 0.00 N ATOM 264 CA SER A 18 -7.305 6.223 -0.908 1.00 0.00 C ATOM 265 C SER A 18 -8.032 5.110 -1.669 1.00 0.00 C ATOM 266 O SER A 18 -7.418 4.237 -2.251 1.00 0.00 O ATOM 267 CB SER A 18 -6.882 7.312 -1.893 1.00 0.00 C ATOM 268 OG SER A 18 -8.034 8.016 -2.335 1.00 0.00 O ATOM 0 H SER A 18 -5.706 4.829 -0.662 1.00 0.00 H new ATOM 0 HA SER A 18 -7.973 6.644 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.182 7.999 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.364 6.869 -2.743 1.00 0.00 H new ATOM 0 HG SER A 18 -7.767 8.717 -2.966 1.00 0.00 H new ATOM 274 N GLN A 19 -9.340 5.145 -1.663 1.00 0.00 N ATOM 275 CA GLN A 19 -10.146 4.103 -2.373 1.00 0.00 C ATOM 276 C GLN A 19 -10.824 4.729 -3.589 1.00 0.00 C ATOM 277 O GLN A 19 -11.426 5.783 -3.504 1.00 0.00 O ATOM 278 CB GLN A 19 -11.212 3.570 -1.416 1.00 0.00 C ATOM 279 CG GLN A 19 -11.897 2.346 -2.026 1.00 0.00 C ATOM 280 CD GLN A 19 -13.020 1.889 -1.094 1.00 0.00 C ATOM 281 OE1 GLN A 19 -13.750 2.702 -0.561 1.00 0.00 O ATOM 282 NE2 GLN A 19 -13.187 0.617 -0.869 1.00 0.00 N ATOM 0 H GLN A 19 -9.892 5.861 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.498 3.289 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.756 3.304 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.950 4.346 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.299 2.590 -3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.175 1.542 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.574 -0.065 -1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.930 0.303 -0.245 1.00 0.00 H new ATOM 291 N ARG A 20 -10.736 4.089 -4.720 1.00 0.00 N ATOM 292 CA ARG A 20 -11.381 4.642 -5.948 1.00 0.00 C ATOM 293 C ARG A 20 -12.809 4.123 -6.045 1.00 0.00 C ATOM 294 O ARG A 20 -13.215 3.237 -5.319 1.00 0.00 O ATOM 295 CB ARG A 20 -10.600 4.215 -7.196 1.00 0.00 C ATOM 296 CG ARG A 20 -9.227 4.900 -7.208 1.00 0.00 C ATOM 297 CD ARG A 20 -8.617 4.858 -8.614 1.00 0.00 C ATOM 298 NE ARG A 20 -7.433 5.766 -8.647 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.589 5.716 -9.639 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.813 4.925 -10.654 1.00 0.00 N ATOM 301 NH2 ARG A 20 -5.527 6.479 -9.627 1.00 0.00 N ATOM 0 H ARG A 20 -10.245 3.205 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.385 5.730 -5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.477 3.132 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.157 4.481 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.328 5.935 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.561 4.405 -6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.320 3.840 -8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.353 5.169 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.283 6.430 -7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.651 4.344 -10.672 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.150 4.889 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.361 7.110 -8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.864 6.443 -10.401 1.00 0.00 H new ATOM 315 N LYS A 21 -13.571 4.667 -6.943 1.00 0.00 N ATOM 316 CA LYS A 21 -14.973 4.215 -7.106 1.00 0.00 C ATOM 317 C LYS A 21 -14.997 2.757 -7.564 1.00 0.00 C ATOM 318 O LYS A 21 -16.024 2.111 -7.552 1.00 0.00 O ATOM 319 CB LYS A 21 -15.659 5.106 -8.138 1.00 0.00 C ATOM 320 CG LYS A 21 -15.047 4.873 -9.539 1.00 0.00 C ATOM 321 CD LYS A 21 -15.939 3.939 -10.367 1.00 0.00 C ATOM 322 CE LYS A 21 -15.421 3.902 -11.796 1.00 0.00 C ATOM 323 NZ LYS A 21 -16.220 2.922 -12.583 1.00 0.00 N ATOM 0 H LYS A 21 -13.280 5.412 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.501 4.287 -6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.728 4.892 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.549 6.153 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.931 5.826 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.051 4.441 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.935 2.937 -9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.971 4.290 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.492 4.892 -12.247 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.368 3.622 -11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.116 3.125 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.880 1.959 -12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.222 2.997 -12.316 1.00 0.00 H new ATOM 337 N ASP A 22 -13.872 2.235 -7.976 1.00 0.00 N ATOM 338 CA ASP A 22 -13.829 0.815 -8.441 1.00 0.00 C ATOM 339 C ASP A 22 -13.580 -0.115 -7.249 1.00 0.00 C ATOM 340 O ASP A 22 -13.849 -1.296 -7.312 1.00 0.00 O ATOM 341 CB ASP A 22 -12.702 0.643 -9.460 1.00 0.00 C ATOM 342 CG ASP A 22 -13.095 1.312 -10.776 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.276 1.320 -11.086 1.00 0.00 O ATOM 344 OD2 ASP A 22 -12.209 1.804 -11.457 1.00 0.00 O ATOM 0 H ASP A 22 -12.981 2.729 -8.011 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.783 0.562 -8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.781 1.083 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.504 -0.416 -9.624 1.00 0.00 H new ATOM 349 N GLY A 23 -13.088 0.416 -6.154 1.00 0.00 N ATOM 350 CA GLY A 23 -12.838 -0.428 -4.940 1.00 0.00 C ATOM 351 C GLY A 23 -11.334 -0.645 -4.735 1.00 0.00 C ATOM 352 O GLY A 23 -10.888 -0.913 -3.637 1.00 0.00 O ATOM 0 H GLY A 23 -12.848 1.402 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.265 0.055 -4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.338 -1.390 -5.050 1.00 0.00 H new ATOM 356 N ARG A 24 -10.544 -0.540 -5.770 1.00 0.00 N ATOM 357 CA ARG A 24 -9.079 -0.752 -5.590 1.00 0.00 C ATOM 358 C ARG A 24 -8.511 0.341 -4.686 1.00 0.00 C ATOM 359 O ARG A 24 -8.850 1.501 -4.801 1.00 0.00 O ATOM 360 CB ARG A 24 -8.368 -0.742 -6.947 1.00 0.00 C ATOM 361 CG ARG A 24 -8.973 0.340 -7.833 1.00 0.00 C ATOM 362 CD ARG A 24 -8.014 0.656 -8.983 1.00 0.00 C ATOM 363 NE ARG A 24 -7.656 -0.608 -9.691 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.050 -0.562 -10.847 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.731 0.592 -11.370 1.00 0.00 N ATOM 366 NH2 ARG A 24 -6.750 -1.666 -11.471 1.00 0.00 N ATOM 0 H ARG A 24 -10.844 -0.320 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.914 -1.723 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.302 -0.560 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.465 -1.716 -7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.933 0.007 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.164 1.239 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.479 1.356 -9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.115 1.138 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.885 -1.509 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.955 1.455 -10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.258 0.629 -12.273 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.988 -2.567 -11.057 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.277 -1.629 -12.374 1.00 0.00 H new ATOM 380 N TYR A 25 -7.650 -0.032 -3.786 1.00 0.00 N ATOM 381 CA TYR A 25 -7.048 0.959 -2.856 1.00 0.00 C ATOM 382 C TYR A 25 -5.870 1.662 -3.528 1.00 0.00 C ATOM 383 O TYR A 25 -5.455 1.297 -4.612 1.00 0.00 O ATOM 384 CB TYR A 25 -6.588 0.234 -1.596 1.00 0.00 C ATOM 385 CG TYR A 25 -7.803 -0.317 -0.896 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.692 0.563 -0.275 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.054 -1.694 -0.883 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.833 0.072 0.361 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.199 -2.186 -0.250 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.089 -1.301 0.372 1.00 0.00 C ATOM 391 OH TYR A 25 -11.222 -1.779 0.988 1.00 0.00 O ATOM 0 H TYR A 25 -7.334 -0.993 -3.653 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.788 1.714 -2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.899 -0.571 -1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.049 0.918 -0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.496 1.625 -0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.365 -2.375 -1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.518 0.753 0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.397 -3.248 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.384 -1.274 1.812 1.00 0.00 H new ATOM 401 N LEU A 26 -5.342 2.680 -2.907 1.00 0.00 N ATOM 402 CA LEU A 26 -4.205 3.419 -3.525 1.00 0.00 C ATOM 403 C LEU A 26 -3.375 4.097 -2.421 1.00 0.00 C ATOM 404 O LEU A 26 -3.901 4.823 -1.603 1.00 0.00 O ATOM 405 CB LEU A 26 -4.797 4.478 -4.477 1.00 0.00 C ATOM 406 CG LEU A 26 -3.837 4.769 -5.633 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.509 5.736 -6.611 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.546 5.394 -5.093 1.00 0.00 C ATOM 0 H LEU A 26 -5.648 3.032 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.554 2.742 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.751 4.127 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.998 5.397 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.592 3.839 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.830 5.948 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.423 5.285 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.753 6.665 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.867 5.599 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.781 6.325 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.071 4.703 -4.396 1.00 0.00 H new ATOM 420 N TYR A 27 -2.083 3.872 -2.400 1.00 0.00 N ATOM 421 CA TYR A 27 -1.206 4.505 -1.359 1.00 0.00 C ATOM 422 C TYR A 27 0.026 5.105 -2.041 1.00 0.00 C ATOM 423 O TYR A 27 0.329 4.796 -3.177 1.00 0.00 O ATOM 424 CB TYR A 27 -0.775 3.449 -0.336 1.00 0.00 C ATOM 425 CG TYR A 27 0.068 4.090 0.742 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.521 4.970 1.654 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.435 3.789 0.841 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.248 5.553 2.667 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.207 4.377 1.854 1.00 0.00 C ATOM 430 CZ TYR A 27 1.612 5.258 2.768 1.00 0.00 C ATOM 431 OH TYR A 27 2.371 5.828 3.767 1.00 0.00 O ATOM 0 H TYR A 27 -1.593 3.272 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.756 5.292 -0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.653 2.980 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.209 2.660 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.573 5.201 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.891 3.107 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.211 6.231 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.260 4.151 1.930 1.00 0.00 H new ATOM 0 HH TYR A 27 3.297 5.515 3.693 1.00 0.00 H new ATOM 441 N LYS A 28 0.725 5.980 -1.356 1.00 0.00 N ATOM 442 CA LYS A 28 1.931 6.633 -1.957 1.00 0.00 C ATOM 443 C LYS A 28 3.110 6.564 -0.988 1.00 0.00 C ATOM 444 O LYS A 28 2.976 6.819 0.193 1.00 0.00 O ATOM 445 CB LYS A 28 1.602 8.108 -2.243 1.00 0.00 C ATOM 446 CG LYS A 28 2.749 8.792 -3.030 1.00 0.00 C ATOM 447 CD LYS A 28 3.723 9.503 -2.076 1.00 0.00 C ATOM 448 CE LYS A 28 4.735 10.291 -2.902 1.00 0.00 C ATOM 449 NZ LYS A 28 4.042 11.429 -3.565 1.00 0.00 N ATOM 0 H LYS A 28 0.510 6.271 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 28 2.199 6.115 -2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.676 8.173 -2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.436 8.636 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.287 8.047 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.333 9.512 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.178 10.171 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.235 8.774 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.537 10.660 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.196 9.644 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.704 12.224 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.704 11.131 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.233 11.728 -2.985 1.00 0.00 H new ATOM 463 N TYR A 29 4.279 6.253 -1.490 1.00 0.00 N ATOM 464 CA TYR A 29 5.495 6.202 -0.615 1.00 0.00 C ATOM 465 C TYR A 29 6.705 6.683 -1.428 1.00 0.00 C ATOM 466 O TYR A 29 6.631 6.815 -2.635 1.00 0.00 O ATOM 467 CB TYR A 29 5.728 4.766 -0.105 1.00 0.00 C ATOM 468 CG TYR A 29 6.397 3.918 -1.169 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.686 3.537 -2.310 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.734 3.520 -1.011 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.306 2.760 -3.293 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.355 2.741 -1.993 1.00 0.00 C ATOM 473 CZ TYR A 29 7.640 2.361 -3.136 1.00 0.00 C ATOM 474 OH TYR A 29 8.248 1.596 -4.108 1.00 0.00 O ATOM 0 H TYR A 29 4.446 6.031 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 29 5.353 6.848 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.349 4.790 0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.776 4.317 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.657 3.843 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.284 3.816 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.756 2.467 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.383 2.433 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 29 9.173 1.407 -3.845 1.00 0.00 H new ATOM 484 N ILE A 30 7.820 6.933 -0.783 1.00 0.00 N ATOM 485 CA ILE A 30 9.043 7.395 -1.519 1.00 0.00 C ATOM 486 C ILE A 30 10.118 6.313 -1.455 1.00 0.00 C ATOM 487 O ILE A 30 10.393 5.752 -0.414 1.00 0.00 O ATOM 488 CB ILE A 30 9.559 8.695 -0.902 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.538 9.801 -1.202 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.923 9.042 -1.519 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.981 11.124 -0.576 1.00 0.00 C ATOM 0 H ILE A 30 7.937 6.837 0.226 1.00 0.00 H new ATOM 0 HA ILE A 30 8.790 7.580 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 30 9.683 8.592 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.429 9.921 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.560 9.517 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.295 9.969 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.629 8.237 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.814 9.167 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.245 11.897 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.066 11.005 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.948 11.415 -0.986 1.00 0.00 H new ATOM 503 N ASP A 31 10.721 6.014 -2.576 1.00 0.00 N ATOM 504 CA ASP A 31 11.775 4.967 -2.612 1.00 0.00 C ATOM 505 C ASP A 31 13.149 5.583 -2.311 1.00 0.00 C ATOM 506 O ASP A 31 13.288 6.783 -2.178 1.00 0.00 O ATOM 507 CB ASP A 31 11.768 4.338 -4.001 1.00 0.00 C ATOM 508 CG ASP A 31 11.950 5.437 -5.046 1.00 0.00 C ATOM 509 OD1 ASP A 31 12.369 6.519 -4.667 1.00 0.00 O ATOM 510 OD2 ASP A 31 11.665 5.183 -6.205 1.00 0.00 O ATOM 0 H ASP A 31 10.524 6.456 -3.474 1.00 0.00 H new ATOM 0 HA ASP A 31 11.577 4.208 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.568 3.602 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.830 3.809 -4.170 1.00 0.00 H new ATOM 515 N SER A 32 14.165 4.767 -2.200 1.00 0.00 N ATOM 516 CA SER A 32 15.532 5.297 -1.904 1.00 0.00 C ATOM 517 C SER A 32 16.004 6.223 -3.027 1.00 0.00 C ATOM 518 O SER A 32 17.137 6.663 -3.030 1.00 0.00 O ATOM 519 CB SER A 32 16.523 4.138 -1.773 1.00 0.00 C ATOM 520 OG SER A 32 17.833 4.661 -1.599 1.00 0.00 O ATOM 0 H SER A 32 14.108 3.754 -2.302 1.00 0.00 H new ATOM 0 HA SER A 32 15.486 5.856 -0.970 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.254 3.508 -0.925 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.485 3.509 -2.662 1.00 0.00 H new ATOM 0 HG SER A 32 17.910 5.515 -2.074 1.00 0.00 H new ATOM 526 N PHE A 33 15.160 6.526 -3.983 1.00 0.00 N ATOM 527 CA PHE A 33 15.583 7.423 -5.101 1.00 0.00 C ATOM 528 C PHE A 33 15.037 8.830 -4.827 1.00 0.00 C ATOM 529 O PHE A 33 15.493 9.804 -5.393 1.00 0.00 O ATOM 530 CB PHE A 33 15.031 6.883 -6.425 1.00 0.00 C ATOM 531 CG PHE A 33 15.556 5.474 -6.664 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.085 4.409 -5.885 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.501 5.232 -7.672 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.551 3.110 -6.106 1.00 0.00 C ATOM 535 CE2 PHE A 33 16.971 3.928 -7.893 1.00 0.00 C ATOM 536 CZ PHE A 33 16.494 2.869 -7.109 1.00 0.00 C ATOM 0 H PHE A 33 14.198 6.191 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 33 16.670 7.461 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.941 6.876 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.327 7.536 -7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.357 4.593 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.867 6.048 -8.277 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.183 2.294 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.700 3.741 -8.667 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.855 1.866 -7.280 1.00 0.00 H new ATOM 546 N GLY A 34 14.083 8.944 -3.935 1.00 0.00 N ATOM 547 CA GLY A 34 13.527 10.290 -3.590 1.00 0.00 C ATOM 548 C GLY A 34 12.373 10.640 -4.520 1.00 0.00 C ATOM 549 O GLY A 34 11.720 11.653 -4.359 1.00 0.00 O ATOM 0 H GLY A 34 13.665 8.162 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.183 10.295 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.309 11.045 -3.670 1.00 0.00 H new ATOM 553 N GLU A 35 12.109 9.819 -5.493 1.00 0.00 N ATOM 554 CA GLU A 35 10.993 10.122 -6.427 1.00 0.00 C ATOM 555 C GLU A 35 9.681 9.646 -5.796 1.00 0.00 C ATOM 556 O GLU A 35 9.671 8.681 -5.057 1.00 0.00 O ATOM 557 CB GLU A 35 11.230 9.372 -7.742 1.00 0.00 C ATOM 558 CG GLU A 35 11.109 7.863 -7.502 1.00 0.00 C ATOM 559 CD GLU A 35 11.641 7.107 -8.719 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.766 7.367 -9.110 1.00 0.00 O ATOM 561 OE2 GLU A 35 10.915 6.277 -9.240 1.00 0.00 O ATOM 0 H GLU A 35 12.615 8.954 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 35 10.941 11.193 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.504 9.691 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.218 9.610 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.670 7.580 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.068 7.595 -7.321 1.00 0.00 H new ATOM 568 N PRO A 36 8.578 10.286 -6.088 1.00 0.00 N ATOM 569 CA PRO A 36 7.268 9.860 -5.537 1.00 0.00 C ATOM 570 C PRO A 36 6.798 8.585 -6.244 1.00 0.00 C ATOM 571 O PRO A 36 6.940 8.459 -7.444 1.00 0.00 O ATOM 572 CB PRO A 36 6.347 11.047 -5.844 1.00 0.00 C ATOM 573 CG PRO A 36 6.931 11.667 -7.072 1.00 0.00 C ATOM 574 CD PRO A 36 8.446 11.463 -6.970 1.00 0.00 C ATOM 0 HA PRO A 36 7.293 9.624 -4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.321 10.720 -6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.322 11.755 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.534 11.198 -7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.683 12.727 -7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.893 11.284 -7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.941 12.338 -6.548 1.00 0.00 H new ATOM 582 N GLN A 37 6.270 7.627 -5.525 1.00 0.00 N ATOM 583 CA GLN A 37 5.828 6.353 -6.176 1.00 0.00 C ATOM 584 C GLN A 37 4.448 5.959 -5.633 1.00 0.00 C ATOM 585 O GLN A 37 4.187 6.062 -4.452 1.00 0.00 O ATOM 586 CB GLN A 37 6.871 5.262 -5.853 1.00 0.00 C ATOM 587 CG GLN A 37 6.956 4.239 -6.993 1.00 0.00 C ATOM 588 CD GLN A 37 7.534 4.905 -8.245 1.00 0.00 C ATOM 589 OE1 GLN A 37 7.968 6.137 -8.179 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 7.596 4.297 -9.297 1.00 0.00 N flip ATOM 0 H GLN A 37 6.125 7.670 -4.516 1.00 0.00 H new ATOM 0 HA GLN A 37 5.751 6.475 -7.256 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.847 5.720 -5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.602 4.758 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.583 3.399 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.966 3.837 -7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.258 3.336 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.986 4.748 -10.125 1.00 0.00 H new ATOM 599 N PHE A 38 3.562 5.517 -6.496 1.00 0.00 N ATOM 600 CA PHE A 38 2.187 5.123 -6.048 1.00 0.00 C ATOM 601 C PHE A 38 1.992 3.612 -6.208 1.00 0.00 C ATOM 602 O PHE A 38 2.499 2.999 -7.128 1.00 0.00 O ATOM 603 CB PHE A 38 1.151 5.856 -6.902 1.00 0.00 C ATOM 604 CG PHE A 38 1.230 7.348 -6.659 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.122 8.133 -7.399 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.397 7.947 -5.705 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.181 9.516 -7.187 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.457 9.330 -5.491 1.00 0.00 C ATOM 609 CZ PHE A 38 1.349 10.115 -6.231 1.00 0.00 C ATOM 0 H PHE A 38 3.734 5.412 -7.496 1.00 0.00 H new ATOM 0 HA PHE A 38 2.064 5.390 -4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.323 5.643 -7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.151 5.494 -6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.765 7.672 -8.134 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.292 7.342 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.868 10.121 -7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.185 9.791 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.396 11.181 -6.066 1.00 0.00 H new ATOM 619 N VAL A 39 1.252 3.017 -5.307 1.00 0.00 N ATOM 620 CA VAL A 39 0.989 1.549 -5.356 1.00 0.00 C ATOM 621 C VAL A 39 -0.528 1.324 -5.423 1.00 0.00 C ATOM 622 O VAL A 39 -1.306 2.171 -5.034 1.00 0.00 O ATOM 623 CB VAL A 39 1.538 0.916 -4.075 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.061 0.759 -4.178 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.193 1.818 -2.886 1.00 0.00 C ATOM 0 H VAL A 39 0.811 3.499 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 39 1.467 1.102 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 39 1.091 -0.068 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.443 0.308 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.304 0.119 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.519 1.738 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.580 1.375 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.642 2.800 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.111 1.922 -2.810 1.00 0.00 H new ATOM 635 N TYR A 40 -0.947 0.187 -5.917 1.00 0.00 N ATOM 636 CA TYR A 40 -2.410 -0.122 -6.024 1.00 0.00 C ATOM 637 C TYR A 40 -2.688 -1.474 -5.362 1.00 0.00 C ATOM 638 O TYR A 40 -1.808 -2.303 -5.246 1.00 0.00 O ATOM 639 CB TYR A 40 -2.787 -0.186 -7.503 1.00 0.00 C ATOM 640 CG TYR A 40 -2.760 1.207 -8.089 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.541 1.816 -8.411 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.959 1.888 -8.311 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.525 3.108 -8.954 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.947 3.177 -8.853 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.729 3.788 -9.176 1.00 0.00 C ATOM 646 OH TYR A 40 -2.715 5.059 -9.712 1.00 0.00 O ATOM 0 H TYR A 40 -0.331 -0.552 -6.256 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.997 0.649 -5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.091 -0.832 -8.039 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.780 -0.622 -7.618 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.613 1.290 -8.241 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.899 1.417 -8.063 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.585 3.579 -9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.876 3.701 -9.022 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.339 5.103 -10.467 1.00 0.00 H new ATOM 656 N SER A 41 -3.897 -1.711 -4.917 1.00 0.00 N ATOM 657 CA SER A 41 -4.183 -3.024 -4.262 1.00 0.00 C ATOM 658 C SER A 41 -5.682 -3.197 -4.021 1.00 0.00 C ATOM 659 O SER A 41 -6.352 -2.299 -3.554 1.00 0.00 O ATOM 660 CB SER A 41 -3.462 -3.090 -2.918 1.00 0.00 C ATOM 661 OG SER A 41 -3.651 -4.380 -2.346 1.00 0.00 O ATOM 0 H SER A 41 -4.685 -1.066 -4.977 1.00 0.00 H new ATOM 0 HA SER A 41 -3.834 -3.818 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.399 -2.891 -3.052 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.847 -2.322 -2.247 1.00 0.00 H new ATOM 0 HG SER A 41 -2.781 -4.762 -2.107 1.00 0.00 H new ATOM 667 N TRP A 42 -6.202 -4.362 -4.301 1.00 0.00 N ATOM 668 CA TRP A 42 -7.649 -4.615 -4.056 1.00 0.00 C ATOM 669 C TRP A 42 -7.810 -5.076 -2.604 1.00 0.00 C ATOM 670 O TRP A 42 -8.879 -5.465 -2.179 1.00 0.00 O ATOM 671 CB TRP A 42 -8.136 -5.724 -4.991 1.00 0.00 C ATOM 672 CG TRP A 42 -8.379 -5.186 -6.361 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.502 -5.251 -7.381 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.568 -4.523 -6.880 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.075 -4.668 -8.496 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.346 -4.202 -8.237 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.804 -4.169 -6.309 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.315 -3.560 -9.004 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.783 -3.518 -7.078 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.539 -3.213 -8.424 1.00 0.00 C ATOM 0 H TRP A 42 -5.685 -5.150 -4.690 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.229 -3.710 -4.238 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.395 -6.522 -5.034 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.054 -6.162 -4.598 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.515 -5.686 -7.336 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.612 -4.592 -9.402 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.002 -4.399 -5.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.122 -3.331 -10.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.729 -3.251 -6.630 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.294 -2.712 -9.011 1.00 0.00 H new ATOM 691 N LYS A 43 -6.740 -5.046 -1.846 1.00 0.00 N ATOM 692 CA LYS A 43 -6.797 -5.490 -0.418 1.00 0.00 C ATOM 693 C LYS A 43 -6.129 -4.454 0.480 1.00 0.00 C ATOM 694 O LYS A 43 -5.025 -4.014 0.232 1.00 0.00 O ATOM 695 CB LYS A 43 -6.037 -6.812 -0.282 1.00 0.00 C ATOM 696 CG LYS A 43 -6.819 -7.929 -0.974 1.00 0.00 C ATOM 697 CD LYS A 43 -6.314 -9.296 -0.502 1.00 0.00 C ATOM 698 CE LYS A 43 -4.857 -9.477 -0.920 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.439 -10.885 -0.676 1.00 0.00 N ATOM 0 H LYS A 43 -5.822 -4.730 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.839 -5.611 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.046 -6.720 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.894 -7.054 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.882 -7.830 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.708 -7.845 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.404 -9.374 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.927 -10.089 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.737 -9.229 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.219 -8.795 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.446 -11.007 -0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.538 -11.106 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.040 -11.527 -1.231 1.00 0.00 H new ATOM 713 N LEU A 44 -6.792 -4.088 1.541 1.00 0.00 N ATOM 714 CA LEU A 44 -6.214 -3.104 2.494 1.00 0.00 C ATOM 715 C LEU A 44 -5.348 -3.873 3.490 1.00 0.00 C ATOM 716 O LEU A 44 -4.252 -3.472 3.822 1.00 0.00 O ATOM 717 CB LEU A 44 -7.362 -2.396 3.222 1.00 0.00 C ATOM 718 CG LEU A 44 -6.827 -1.440 4.291 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.983 -0.335 3.643 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.017 -0.812 5.021 1.00 0.00 C ATOM 0 H LEU A 44 -7.719 -4.433 1.790 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.609 -2.358 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.966 -1.842 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.015 -3.136 3.685 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.199 -1.991 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.609 0.337 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.142 -0.783 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.597 0.227 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.654 -0.127 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.634 -0.265 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.612 -1.596 5.488 1.00 0.00 H new ATOM 732 N VAL A 45 -5.845 -4.995 3.947 1.00 0.00 N ATOM 733 CA VAL A 45 -5.082 -5.854 4.911 1.00 0.00 C ATOM 734 C VAL A 45 -4.846 -7.219 4.244 1.00 0.00 C ATOM 735 O VAL A 45 -5.338 -7.477 3.164 1.00 0.00 O ATOM 736 CB VAL A 45 -5.900 -6.036 6.213 1.00 0.00 C ATOM 737 CG1 VAL A 45 -4.960 -6.149 7.418 1.00 0.00 C ATOM 738 CG2 VAL A 45 -6.823 -4.831 6.415 1.00 0.00 C ATOM 0 H VAL A 45 -6.762 -5.360 3.690 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.130 -5.388 5.165 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.491 -6.948 6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.548 -6.277 8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.303 -7.009 7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.360 -5.242 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.397 -4.962 7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.225 -3.923 6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.505 -4.749 5.569 1.00 0.00 H new ATOM 748 N ALA A 46 -4.104 -8.089 4.871 1.00 0.00 N ATOM 749 CA ALA A 46 -3.840 -9.428 4.258 1.00 0.00 C ATOM 750 C ALA A 46 -5.069 -10.333 4.390 1.00 0.00 C ATOM 751 O ALA A 46 -5.176 -11.340 3.715 1.00 0.00 O ATOM 752 CB ALA A 46 -2.643 -10.077 4.951 1.00 0.00 C ATOM 0 H ALA A 46 -3.668 -7.934 5.780 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.622 -9.293 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.450 -11.053 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.765 -9.443 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.859 -10.199 6.012 1.00 0.00 H new ATOM 758 N THR A 47 -5.993 -10.003 5.251 1.00 0.00 N ATOM 759 CA THR A 47 -7.200 -10.871 5.418 1.00 0.00 C ATOM 760 C THR A 47 -8.302 -10.459 4.432 1.00 0.00 C ATOM 761 O THR A 47 -9.330 -11.101 4.347 1.00 0.00 O ATOM 762 CB THR A 47 -7.728 -10.733 6.848 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.173 -9.400 7.060 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.616 -11.067 7.842 1.00 0.00 C ATOM 0 H THR A 47 -5.967 -9.174 5.845 1.00 0.00 H new ATOM 0 HA THR A 47 -6.918 -11.905 5.219 1.00 0.00 H new ATOM 0 HB THR A 47 -8.560 -11.422 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.513 -9.310 7.975 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.995 -10.968 8.859 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.278 -12.090 7.679 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.781 -10.381 7.698 1.00 0.00 H new ATOM 772 N ASP A 48 -8.112 -9.403 3.682 1.00 0.00 N ATOM 773 CA ASP A 48 -9.176 -8.991 2.714 1.00 0.00 C ATOM 774 C ASP A 48 -9.257 -10.008 1.570 1.00 0.00 C ATOM 775 O ASP A 48 -8.488 -10.946 1.509 1.00 0.00 O ATOM 776 CB ASP A 48 -8.851 -7.621 2.129 1.00 0.00 C ATOM 777 CG ASP A 48 -8.799 -6.581 3.243 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.567 -6.705 4.182 1.00 0.00 O ATOM 779 OD2 ASP A 48 -7.996 -5.672 3.135 1.00 0.00 O ATOM 0 H ASP A 48 -7.279 -8.815 3.696 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.129 -8.947 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.895 -7.656 1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.605 -7.342 1.393 1.00 0.00 H new ATOM 784 N ARG A 49 -10.183 -9.823 0.656 1.00 0.00 N ATOM 785 CA ARG A 49 -10.317 -10.770 -0.498 1.00 0.00 C ATOM 786 C ARG A 49 -10.610 -9.973 -1.779 1.00 0.00 C ATOM 787 O ARG A 49 -11.374 -9.027 -1.774 1.00 0.00 O ATOM 788 CB ARG A 49 -11.461 -11.776 -0.209 1.00 0.00 C ATOM 789 CG ARG A 49 -10.891 -13.172 0.088 1.00 0.00 C ATOM 790 CD ARG A 49 -10.485 -13.855 -1.225 1.00 0.00 C ATOM 791 NE ARG A 49 -11.684 -14.035 -2.091 1.00 0.00 N ATOM 792 CZ ARG A 49 -11.532 -14.326 -3.354 1.00 0.00 C ATOM 793 NH1 ARG A 49 -10.334 -14.450 -3.855 1.00 0.00 N ATOM 794 NH2 ARG A 49 -12.577 -14.493 -4.120 1.00 0.00 N ATOM 0 H ARG A 49 -10.853 -9.054 0.661 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.389 -11.325 -0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.051 -11.430 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.133 -11.826 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.028 -13.090 0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.634 -13.776 0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.738 -13.253 -1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.027 -14.822 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.620 -13.931 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.516 -14.320 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.215 -14.677 -4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.515 -14.396 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.455 -14.720 -5.107 1.00 0.00 H new ATOM 808 N VAL A 50 -9.985 -10.341 -2.868 1.00 0.00 N ATOM 809 CA VAL A 50 -10.192 -9.604 -4.146 1.00 0.00 C ATOM 810 C VAL A 50 -11.481 -10.079 -4.859 1.00 0.00 C ATOM 811 O VAL A 50 -11.796 -11.251 -4.834 1.00 0.00 O ATOM 812 CB VAL A 50 -8.996 -9.869 -5.060 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.706 -9.514 -4.330 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.953 -11.346 -5.457 1.00 0.00 C ATOM 0 H VAL A 50 -9.336 -11.126 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.289 -8.541 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.097 -9.256 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.854 -9.704 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.723 -8.460 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.617 -10.124 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.097 -11.523 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.861 -11.961 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.870 -11.608 -5.984 1.00 0.00 H new ATOM 824 N PRO A 51 -12.206 -9.187 -5.517 1.00 0.00 N ATOM 825 CA PRO A 51 -13.448 -9.556 -6.264 1.00 0.00 C ATOM 826 C PRO A 51 -13.287 -10.840 -7.097 1.00 0.00 C ATOM 827 O PRO A 51 -12.245 -11.103 -7.665 1.00 0.00 O ATOM 828 CB PRO A 51 -13.685 -8.354 -7.192 1.00 0.00 C ATOM 829 CG PRO A 51 -13.068 -7.182 -6.490 1.00 0.00 C ATOM 830 CD PRO A 51 -11.936 -7.736 -5.609 1.00 0.00 C ATOM 0 HA PRO A 51 -14.273 -9.761 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.226 -8.514 -8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.749 -8.194 -7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.680 -6.461 -7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.809 -6.660 -5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.959 -7.543 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.937 -7.270 -4.624 1.00 0.00 H new ATOM 838 N ALA A 52 -14.325 -11.628 -7.178 1.00 0.00 N ATOM 839 CA ALA A 52 -14.262 -12.889 -7.976 1.00 0.00 C ATOM 840 C ALA A 52 -13.680 -12.604 -9.365 1.00 0.00 C ATOM 841 O ALA A 52 -14.107 -11.700 -10.056 1.00 0.00 O ATOM 842 CB ALA A 52 -15.676 -13.459 -8.125 1.00 0.00 C ATOM 0 H ALA A 52 -15.221 -11.452 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.623 -13.608 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.638 -14.380 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.089 -13.670 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.309 -12.733 -8.636 1.00 0.00 H new ATOM 848 N GLY A 53 -12.710 -13.378 -9.782 1.00 0.00 N ATOM 849 CA GLY A 53 -12.092 -13.173 -11.133 1.00 0.00 C ATOM 850 C GLY A 53 -10.799 -12.364 -11.002 1.00 0.00 C ATOM 851 O GLY A 53 -9.981 -12.339 -11.901 1.00 0.00 O ATOM 0 H GLY A 53 -12.315 -14.149 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.882 -14.137 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.792 -12.652 -11.786 1.00 0.00 H new ATOM 855 N LYS A 54 -10.599 -11.703 -9.889 1.00 0.00 N ATOM 856 CA LYS A 54 -9.361 -10.900 -9.702 1.00 0.00 C ATOM 857 C LYS A 54 -8.298 -11.770 -9.021 1.00 0.00 C ATOM 858 O LYS A 54 -8.578 -12.486 -8.080 1.00 0.00 O ATOM 859 CB LYS A 54 -9.694 -9.690 -8.826 1.00 0.00 C ATOM 860 CG LYS A 54 -10.778 -8.834 -9.500 1.00 0.00 C ATOM 861 CD LYS A 54 -10.283 -8.314 -10.862 1.00 0.00 C ATOM 862 CE LYS A 54 -11.032 -7.029 -11.236 1.00 0.00 C ATOM 863 NZ LYS A 54 -10.537 -6.535 -12.551 1.00 0.00 N ATOM 0 H LYS A 54 -11.246 -11.688 -9.100 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.976 -10.558 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.039 -10.023 -7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.797 -9.092 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.684 -9.425 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.039 -7.994 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.211 -8.121 -10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.440 -9.072 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.104 -7.221 -11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.880 -6.270 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.043 -5.663 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.518 -6.337 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.704 -7.259 -13.279 1.00 0.00 H new ATOM 877 N ARG A 55 -7.083 -11.724 -9.502 1.00 0.00 N ATOM 878 CA ARG A 55 -6.001 -12.561 -8.899 1.00 0.00 C ATOM 879 C ARG A 55 -5.550 -11.961 -7.568 1.00 0.00 C ATOM 880 O ARG A 55 -5.792 -10.805 -7.278 1.00 0.00 O ATOM 881 CB ARG A 55 -4.808 -12.626 -9.862 1.00 0.00 C ATOM 882 CG ARG A 55 -5.149 -13.515 -11.075 1.00 0.00 C ATOM 883 CD ARG A 55 -4.803 -14.981 -10.771 1.00 0.00 C ATOM 884 NE ARG A 55 -5.256 -15.848 -11.894 1.00 0.00 N ATOM 885 CZ ARG A 55 -4.762 -17.049 -12.030 1.00 0.00 C ATOM 886 NH1 ARG A 55 -3.865 -17.485 -11.188 1.00 0.00 N ATOM 887 NH2 ARG A 55 -5.162 -17.810 -13.014 1.00 0.00 N ATOM 0 H ARG A 55 -6.792 -11.142 -10.288 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.386 -13.565 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.549 -11.622 -10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.935 -13.024 -9.344 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.209 -13.426 -11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.595 -13.177 -11.951 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.728 -15.088 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.282 -15.293 -9.843 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.951 -15.504 -12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.550 -16.888 -10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.479 -18.423 -11.294 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.859 -17.466 -13.674 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.777 -18.748 -13.122 1.00 0.00 H new ATOM 901 N ASP A 56 -4.903 -12.748 -6.754 1.00 0.00 N ATOM 902 CA ASP A 56 -4.436 -12.249 -5.430 1.00 0.00 C ATOM 903 C ASP A 56 -3.564 -11.006 -5.611 1.00 0.00 C ATOM 904 O ASP A 56 -3.011 -10.767 -6.665 1.00 0.00 O ATOM 905 CB ASP A 56 -3.622 -13.342 -4.725 1.00 0.00 C ATOM 906 CG ASP A 56 -2.301 -13.571 -5.465 1.00 0.00 C ATOM 907 OD1 ASP A 56 -1.376 -12.808 -5.237 1.00 0.00 O ATOM 908 OD2 ASP A 56 -2.236 -14.503 -6.249 1.00 0.00 O ATOM 0 H ASP A 56 -4.676 -13.723 -6.951 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.305 -11.990 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.425 -13.051 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.195 -14.269 -4.691 1.00 0.00 H new ATOM 913 N CYS A 57 -3.434 -10.221 -4.577 1.00 0.00 N ATOM 914 CA CYS A 57 -2.598 -8.989 -4.649 1.00 0.00 C ATOM 915 C CYS A 57 -1.974 -8.754 -3.274 1.00 0.00 C ATOM 916 O CYS A 57 -2.459 -9.243 -2.275 1.00 0.00 O ATOM 917 CB CYS A 57 -3.478 -7.795 -5.033 1.00 0.00 C ATOM 918 SG CYS A 57 -2.566 -6.252 -4.766 1.00 0.00 S ATOM 0 H CYS A 57 -3.878 -10.383 -3.673 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.816 -9.104 -5.399 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.779 -7.874 -6.077 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.391 -7.797 -4.437 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.112 -5.589 -3.790 1.00 0.00 H new ATOM 924 N ILE A 58 -0.900 -8.026 -3.206 1.00 0.00 N ATOM 925 CA ILE A 58 -0.256 -7.780 -1.886 1.00 0.00 C ATOM 926 C ILE A 58 -0.966 -6.619 -1.185 1.00 0.00 C ATOM 927 O ILE A 58 -1.087 -5.539 -1.726 1.00 0.00 O ATOM 928 CB ILE A 58 1.217 -7.441 -2.106 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.900 -8.625 -2.799 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.893 -7.172 -0.761 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.300 -8.217 -3.262 1.00 0.00 C ATOM 0 H ILE A 58 -0.439 -7.590 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.330 -8.670 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 58 1.300 -6.550 -2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.965 -9.471 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.305 -8.951 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.943 -6.931 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.400 -6.334 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.818 -8.059 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.781 -9.062 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.224 -7.385 -3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.894 -7.913 -2.400 1.00 0.00 H new ATOM 943 N SER A 59 -1.444 -6.834 0.013 1.00 0.00 N ATOM 944 CA SER A 59 -2.155 -5.740 0.740 1.00 0.00 C ATOM 945 C SER A 59 -1.228 -4.544 0.892 1.00 0.00 C ATOM 946 O SER A 59 -0.020 -4.680 0.906 1.00 0.00 O ATOM 947 CB SER A 59 -2.570 -6.230 2.122 1.00 0.00 C ATOM 948 OG SER A 59 -3.315 -7.421 1.973 1.00 0.00 O ATOM 0 H SER A 59 -1.373 -7.717 0.518 1.00 0.00 H new ATOM 0 HA SER A 59 -3.040 -5.449 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.690 -6.409 2.740 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.167 -5.472 2.629 1.00 0.00 H new ATOM 0 HG SER A 59 -4.268 -7.228 2.094 1.00 0.00 H new ATOM 954 N LEU A 60 -1.783 -3.372 1.008 1.00 0.00 N ATOM 955 CA LEU A 60 -0.928 -2.167 1.163 1.00 0.00 C ATOM 956 C LEU A 60 -0.077 -2.312 2.424 1.00 0.00 C ATOM 957 O LEU A 60 1.130 -2.192 2.390 1.00 0.00 O ATOM 958 CB LEU A 60 -1.814 -0.919 1.291 1.00 0.00 C ATOM 959 CG LEU A 60 -2.614 -0.691 0.001 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.576 0.500 0.198 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.658 -0.398 -1.174 1.00 0.00 C ATOM 0 H LEU A 60 -2.788 -3.197 1.002 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.282 -2.066 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.496 -1.035 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.195 -0.047 1.501 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.186 -1.590 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.145 0.663 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.261 0.283 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.002 1.396 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.237 -0.238 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.074 0.496 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.986 -1.244 -1.316 1.00 0.00 H new ATOM 973 N ARG A 61 -0.691 -2.573 3.541 1.00 0.00 N ATOM 974 CA ARG A 61 0.095 -2.712 4.801 1.00 0.00 C ATOM 975 C ARG A 61 1.273 -3.657 4.553 1.00 0.00 C ATOM 976 O ARG A 61 2.392 -3.386 4.943 1.00 0.00 O ATOM 977 CB ARG A 61 -0.803 -3.289 5.904 1.00 0.00 C ATOM 978 CG ARG A 61 -2.067 -2.429 6.070 1.00 0.00 C ATOM 979 CD ARG A 61 -1.762 -1.184 6.910 1.00 0.00 C ATOM 980 NE ARG A 61 -3.019 -0.404 7.099 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.086 0.529 8.011 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.060 0.766 8.783 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.186 1.219 8.157 1.00 0.00 N ATOM 0 H ARG A 61 -1.699 -2.696 3.639 1.00 0.00 H new ATOM 0 HA ARG A 61 0.466 -1.736 5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.082 -4.313 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.255 -3.327 6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.443 -2.131 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.852 -3.014 6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.350 -1.474 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.010 -0.571 6.414 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.831 -0.600 6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.204 0.222 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.115 1.495 9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.990 1.029 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.240 1.948 8.869 1.00 0.00 H new ATOM 997 N GLU A 62 1.035 -4.754 3.893 1.00 0.00 N ATOM 998 CA GLU A 62 2.145 -5.705 3.604 1.00 0.00 C ATOM 999 C GLU A 62 3.067 -5.116 2.529 1.00 0.00 C ATOM 1000 O GLU A 62 4.272 -5.262 2.591 1.00 0.00 O ATOM 1001 CB GLU A 62 1.572 -7.040 3.110 1.00 0.00 C ATOM 1002 CG GLU A 62 0.939 -7.811 4.274 1.00 0.00 C ATOM 1003 CD GLU A 62 0.706 -9.264 3.855 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.062 -9.478 2.931 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.299 -10.138 4.467 1.00 0.00 O ATOM 0 H GLU A 62 0.120 -5.034 3.540 1.00 0.00 H new ATOM 0 HA GLU A 62 2.715 -5.873 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.826 -6.859 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.363 -7.637 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.591 -7.773 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.005 -7.348 4.561 1.00 0.00 H new ATOM 1012 N LYS A 63 2.518 -4.461 1.538 1.00 0.00 N ATOM 1013 CA LYS A 63 3.383 -3.880 0.465 1.00 0.00 C ATOM 1014 C LYS A 63 4.230 -2.746 1.051 1.00 0.00 C ATOM 1015 O LYS A 63 5.431 -2.700 0.878 1.00 0.00 O ATOM 1016 CB LYS A 63 2.495 -3.348 -0.688 1.00 0.00 C ATOM 1017 CG LYS A 63 3.136 -3.675 -2.044 1.00 0.00 C ATOM 1018 CD LYS A 63 2.500 -2.814 -3.140 1.00 0.00 C ATOM 1019 CE LYS A 63 0.999 -3.101 -3.225 1.00 0.00 C ATOM 1020 NZ LYS A 63 0.479 -2.614 -4.535 1.00 0.00 N ATOM 0 H LYS A 63 1.517 -4.304 1.425 1.00 0.00 H new ATOM 0 HA LYS A 63 4.046 -4.650 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.503 -3.796 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.365 -2.270 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.210 -3.492 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.001 -4.732 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.665 -1.758 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.974 -3.023 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.815 -4.170 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.475 -2.607 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.516 -2.329 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.042 -1.798 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.548 -3.375 -5.240 1.00 0.00 H new ATOM 1034 N ILE A 64 3.607 -1.837 1.748 1.00 0.00 N ATOM 1035 CA ILE A 64 4.364 -0.704 2.353 1.00 0.00 C ATOM 1036 C ILE A 64 5.490 -1.272 3.226 1.00 0.00 C ATOM 1037 O ILE A 64 6.634 -0.875 3.120 1.00 0.00 O ATOM 1038 CB ILE A 64 3.391 0.142 3.216 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.600 1.145 2.334 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.155 0.916 4.300 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.344 0.479 1.781 1.00 0.00 C ATOM 0 H ILE A 64 2.603 -1.829 1.926 1.00 0.00 H new ATOM 0 HA ILE A 64 4.796 -0.073 1.577 1.00 0.00 H new ATOM 0 HB ILE A 64 2.692 -0.546 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.328 2.022 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.228 1.493 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.452 1.502 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.678 0.213 4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.877 1.583 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.796 1.191 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.625 -0.384 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.711 0.153 2.607 1.00 0.00 H new ATOM 1053 N ALA A 65 5.169 -2.185 4.092 1.00 0.00 N ATOM 1054 CA ALA A 65 6.210 -2.765 4.981 1.00 0.00 C ATOM 1055 C ALA A 65 7.354 -3.353 4.151 1.00 0.00 C ATOM 1056 O ALA A 65 8.508 -3.106 4.411 1.00 0.00 O ATOM 1057 CB ALA A 65 5.582 -3.875 5.827 1.00 0.00 C ATOM 0 H ALA A 65 4.228 -2.557 4.224 1.00 0.00 H new ATOM 0 HA ALA A 65 6.607 -1.979 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.339 -4.306 6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.774 -3.460 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.185 -4.651 5.172 1.00 0.00 H new ATOM 1063 N GLU A 66 7.045 -4.146 3.175 1.00 0.00 N ATOM 1064 CA GLU A 66 8.120 -4.779 2.358 1.00 0.00 C ATOM 1065 C GLU A 66 8.861 -3.747 1.498 1.00 0.00 C ATOM 1066 O GLU A 66 10.064 -3.826 1.336 1.00 0.00 O ATOM 1067 CB GLU A 66 7.487 -5.830 1.448 1.00 0.00 C ATOM 1068 CG GLU A 66 6.994 -7.006 2.296 1.00 0.00 C ATOM 1069 CD GLU A 66 6.150 -7.940 1.428 1.00 0.00 C ATOM 1070 OE1 GLU A 66 6.150 -7.757 0.221 1.00 0.00 O ATOM 1071 OE2 GLU A 66 5.517 -8.821 1.985 1.00 0.00 O ATOM 0 H GLU A 66 6.093 -4.388 2.901 1.00 0.00 H new ATOM 0 HA GLU A 66 8.845 -5.233 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.656 -5.394 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.214 -6.176 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.842 -7.548 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.404 -6.640 3.136 1.00 0.00 H new ATOM 1078 N LEU A 67 8.173 -2.798 0.926 1.00 0.00 N ATOM 1079 CA LEU A 67 8.874 -1.800 0.064 1.00 0.00 C ATOM 1080 C LEU A 67 9.730 -0.846 0.901 1.00 0.00 C ATOM 1081 O LEU A 67 10.877 -0.597 0.590 1.00 0.00 O ATOM 1082 CB LEU A 67 7.837 -0.986 -0.712 1.00 0.00 C ATOM 1083 CG LEU A 67 7.136 -1.876 -1.760 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.797 -1.245 -2.149 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.009 -2.007 -3.020 1.00 0.00 C ATOM 0 H LEU A 67 7.165 -2.669 1.015 1.00 0.00 H new ATOM 0 HA LEU A 67 9.527 -2.341 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.100 -0.572 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.321 -0.143 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 67 6.976 -2.864 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.301 -1.872 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.165 -1.158 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.970 -0.255 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.502 -2.637 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.179 -1.020 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.966 -2.457 -2.755 1.00 0.00 H new ATOM 1097 N GLN A 68 9.179 -0.291 1.944 1.00 0.00 N ATOM 1098 CA GLN A 68 9.964 0.671 2.774 1.00 0.00 C ATOM 1099 C GLN A 68 11.043 -0.067 3.571 1.00 0.00 C ATOM 1100 O GLN A 68 12.133 0.433 3.754 1.00 0.00 O ATOM 1101 CB GLN A 68 9.034 1.403 3.747 1.00 0.00 C ATOM 1102 CG GLN A 68 7.971 2.190 2.975 1.00 0.00 C ATOM 1103 CD GLN A 68 7.277 3.164 3.929 1.00 0.00 C ATOM 1104 OE1 GLN A 68 7.169 2.901 5.111 1.00 0.00 O ATOM 1105 NE2 GLN A 68 6.795 4.284 3.464 1.00 0.00 N ATOM 0 H GLN A 68 8.223 -0.459 2.258 1.00 0.00 H new ATOM 0 HA GLN A 68 10.439 1.391 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.554 0.685 4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.613 2.080 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.431 2.735 2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.242 1.508 2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.885 4.505 2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.328 4.938 4.092 1.00 0.00 H new ATOM 1114 N LYS A 69 10.759 -1.242 4.063 1.00 0.00 N ATOM 1115 CA LYS A 69 11.794 -1.971 4.856 1.00 0.00 C ATOM 1116 C LYS A 69 12.881 -2.529 3.927 1.00 0.00 C ATOM 1117 O LYS A 69 13.986 -2.794 4.353 1.00 0.00 O ATOM 1118 CB LYS A 69 11.147 -3.129 5.620 1.00 0.00 C ATOM 1119 CG LYS A 69 10.129 -2.584 6.633 1.00 0.00 C ATOM 1120 CD LYS A 69 9.322 -3.747 7.227 1.00 0.00 C ATOM 1121 CE LYS A 69 10.265 -4.745 7.905 1.00 0.00 C ATOM 1122 NZ LYS A 69 11.338 -4.003 8.627 1.00 0.00 N ATOM 0 H LYS A 69 9.867 -1.725 3.953 1.00 0.00 H new ATOM 0 HA LYS A 69 12.245 -1.272 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.653 -3.805 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.913 -3.708 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.644 -2.043 7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.460 -1.875 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.600 -3.368 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.755 -4.246 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.709 -5.371 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.705 -5.409 7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.730 -4.604 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.093 -3.748 7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.940 -3.139 9.047 1.00 0.00 H new ATOM 1136 N ASP A 70 12.574 -2.726 2.668 1.00 0.00 N ATOM 1137 CA ASP A 70 13.588 -3.294 1.717 1.00 0.00 C ATOM 1138 C ASP A 70 14.249 -2.182 0.898 1.00 0.00 C ATOM 1139 O ASP A 70 15.459 -2.102 0.806 1.00 0.00 O ATOM 1140 CB ASP A 70 12.888 -4.266 0.764 1.00 0.00 C ATOM 1141 CG ASP A 70 13.911 -4.877 -0.196 1.00 0.00 C ATOM 1142 OD1 ASP A 70 15.071 -4.511 -0.106 1.00 0.00 O ATOM 1143 OD2 ASP A 70 13.516 -5.702 -1.004 1.00 0.00 O ATOM 0 H ASP A 70 11.665 -2.519 2.255 1.00 0.00 H new ATOM 0 HA ASP A 70 14.357 -3.809 2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.393 -5.054 1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.114 -3.744 0.201 1.00 0.00 H new ATOM 1148 N ILE A 71 13.470 -1.336 0.284 1.00 0.00 N ATOM 1149 CA ILE A 71 14.061 -0.245 -0.549 1.00 0.00 C ATOM 1150 C ILE A 71 14.491 0.913 0.360 1.00 0.00 C ATOM 1151 O ILE A 71 14.784 1.993 -0.097 1.00 0.00 O ATOM 1152 CB ILE A 71 13.023 0.251 -1.573 1.00 0.00 C ATOM 1153 CG1 ILE A 71 12.306 -0.957 -2.199 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.731 1.051 -2.683 1.00 0.00 C ATOM 1155 CD1 ILE A 71 11.204 -0.476 -3.144 1.00 0.00 C ATOM 0 H ILE A 71 12.451 -1.350 0.321 1.00 0.00 H new ATOM 0 HA ILE A 71 14.930 -0.627 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 71 12.298 0.890 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.021 -1.573 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.878 -1.583 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.994 1.401 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.243 1.907 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 71 14.457 0.412 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.700 -1.337 -3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.482 0.121 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.643 0.131 -3.936 1.00 0.00 H new ATOM 1167 N HIS A 72 14.539 0.701 1.649 1.00 0.00 N ATOM 1168 CA HIS A 72 14.963 1.806 2.565 1.00 0.00 C ATOM 1169 C HIS A 72 15.610 1.196 3.820 1.00 0.00 C ATOM 1170 O HIS A 72 15.446 1.692 4.917 1.00 0.00 O ATOM 1171 CB HIS A 72 13.725 2.657 2.938 1.00 0.00 C ATOM 1172 CG HIS A 72 14.053 4.131 2.896 1.00 0.00 C ATOM 1173 ND1 HIS A 72 14.582 4.802 3.988 1.00 0.00 N ATOM 1174 CD2 HIS A 72 13.922 5.073 1.903 1.00 0.00 C ATOM 1175 CE1 HIS A 72 14.747 6.088 3.630 1.00 0.00 C ATOM 1176 NE2 HIS A 72 14.360 6.307 2.370 1.00 0.00 N ATOM 0 H HIS A 72 14.306 -0.181 2.106 1.00 0.00 H new ATOM 0 HA HIS A 72 15.693 2.451 2.075 1.00 0.00 H new ATOM 0 HB2 HIS A 72 12.909 2.442 2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 72 13.379 2.385 3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.538 4.883 0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 72 15.144 6.852 4.282 1.00 0.00 H new ATOM 0 HE2 HIS A 72 14.381 7.190 1.860 1.00 0.00 H new ATOM 1184 N ASP A 73 16.347 0.127 3.658 1.00 0.00 N ATOM 1185 CA ASP A 73 17.011 -0.517 4.835 1.00 0.00 C ATOM 1186 C ASP A 73 15.972 -0.792 5.925 1.00 0.00 C ATOM 1187 O ASP A 73 15.598 -1.923 6.166 1.00 0.00 O ATOM 1188 CB ASP A 73 18.093 0.418 5.383 1.00 0.00 C ATOM 1189 CG ASP A 73 18.825 -0.264 6.539 1.00 0.00 C ATOM 1190 OD1 ASP A 73 19.375 -1.332 6.322 1.00 0.00 O ATOM 1191 OD2 ASP A 73 18.826 0.295 7.623 1.00 0.00 O ATOM 0 H ASP A 73 16.519 -0.329 2.762 1.00 0.00 H new ATOM 0 HA ASP A 73 17.465 -1.458 4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.799 0.675 4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 73 17.643 1.350 5.724 1.00 0.00 H new TER 1196 ASP A 73