USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.52) USER MOD Single : A 10 MET CE :methyl -157:sc= -0.119 (180deg=-0.615) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -114:sc= -0.0511 (180deg=-3.12!) USER MOD Single : A 28 TYR OH : rot 156:sc= -0.583 USER MOD Single : A 31 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 35 GLN : amide:sc= -1.33 X(o=-1.3,f=-0.88) USER MOD Single : A 37 MET CE :methyl -112:sc= -5.96! (180deg=-9.81!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.8) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.384 K(o=-0.38,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.178 27.674 3.438 1.00 0.00 N ATOM 2 CA GLY A 1 -9.825 26.863 4.589 1.00 0.00 C ATOM 3 C GLY A 1 -11.039 26.417 5.379 1.00 0.00 C ATOM 4 O GLY A 1 -11.963 25.820 4.827 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.313 27.953 2.932 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.790 27.125 2.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.684 28.526 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.271 25.986 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.161 27.431 5.240 1.00 0.00 H new ATOM 8 N SER A 2 -11.037 26.706 6.677 1.00 0.00 N ATOM 9 CA SER A 2 -12.144 26.325 7.546 1.00 0.00 C ATOM 10 C SER A 2 -13.039 27.525 7.842 1.00 0.00 C ATOM 11 O SER A 2 -12.580 28.545 8.354 1.00 0.00 O ATOM 12 CB SER A 2 -11.614 25.735 8.854 1.00 0.00 C ATOM 13 OG SER A 2 -12.593 25.803 9.877 1.00 0.00 O ATOM 0 H SER A 2 -10.281 27.202 7.149 1.00 0.00 H new ATOM 0 HA SER A 2 -12.736 25.570 7.029 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.320 24.697 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.720 26.276 9.165 1.00 0.00 H new ATOM 0 HG SER A 2 -12.231 25.418 10.702 1.00 0.00 H new ATOM 19 N SER A 3 -14.321 27.394 7.514 1.00 0.00 N ATOM 20 CA SER A 3 -15.281 28.468 7.741 1.00 0.00 C ATOM 21 C SER A 3 -16.302 28.069 8.802 1.00 0.00 C ATOM 22 O SER A 3 -16.806 28.912 9.543 1.00 0.00 O ATOM 23 CB SER A 3 -15.998 28.824 6.437 1.00 0.00 C ATOM 24 OG SER A 3 -15.068 29.132 5.412 1.00 0.00 O ATOM 0 H SER A 3 -14.718 26.555 7.091 1.00 0.00 H new ATOM 0 HA SER A 3 -14.734 29.341 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.626 27.990 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.658 29.676 6.602 1.00 0.00 H new ATOM 0 HG SER A 3 -15.551 29.354 4.589 1.00 0.00 H new ATOM 30 N GLY A 4 -16.602 26.775 8.869 1.00 0.00 N ATOM 31 CA GLY A 4 -17.561 26.286 9.842 1.00 0.00 C ATOM 32 C GLY A 4 -17.091 25.022 10.535 1.00 0.00 C ATOM 33 O GLY A 4 -16.146 24.374 10.084 1.00 0.00 O ATOM 0 H GLY A 4 -16.198 26.057 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.743 27.059 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.512 26.092 9.345 1.00 0.00 H new ATOM 37 N SER A 5 -17.750 24.671 11.634 1.00 0.00 N ATOM 38 CA SER A 5 -17.390 23.479 12.394 1.00 0.00 C ATOM 39 C SER A 5 -18.383 22.350 12.134 1.00 0.00 C ATOM 40 O SER A 5 -19.596 22.547 12.203 1.00 0.00 O ATOM 41 CB SER A 5 -17.342 23.797 13.889 1.00 0.00 C ATOM 42 OG SER A 5 -16.577 22.832 14.591 1.00 0.00 O ATOM 0 H SER A 5 -18.536 25.195 12.019 1.00 0.00 H new ATOM 0 HA SER A 5 -16.402 23.154 12.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.911 24.787 14.040 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.355 23.825 14.291 1.00 0.00 H new ATOM 0 HG SER A 5 -16.560 23.058 15.544 1.00 0.00 H new ATOM 48 N SER A 6 -17.857 21.166 11.836 1.00 0.00 N ATOM 49 CA SER A 6 -18.696 20.005 11.562 1.00 0.00 C ATOM 50 C SER A 6 -17.955 18.711 11.885 1.00 0.00 C ATOM 51 O SER A 6 -16.725 18.672 11.892 1.00 0.00 O ATOM 52 CB SER A 6 -19.136 20.001 10.096 1.00 0.00 C ATOM 53 OG SER A 6 -18.039 19.752 9.235 1.00 0.00 O ATOM 0 H SER A 6 -16.855 20.986 11.778 1.00 0.00 H new ATOM 0 HA SER A 6 -19.578 20.067 12.199 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.901 19.240 9.945 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.588 20.961 9.846 1.00 0.00 H new ATOM 0 HG SER A 6 -18.347 19.753 8.305 1.00 0.00 H new ATOM 59 N GLY A 7 -18.713 17.653 12.153 1.00 0.00 N ATOM 60 CA GLY A 7 -18.112 16.371 12.474 1.00 0.00 C ATOM 61 C GLY A 7 -19.133 15.252 12.539 1.00 0.00 C ATOM 62 O GLY A 7 -19.440 14.745 13.617 1.00 0.00 O ATOM 0 H GLY A 7 -19.733 17.660 12.154 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.359 16.128 11.724 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.597 16.444 13.432 1.00 0.00 H new ATOM 66 N ASN A 8 -19.662 14.867 11.382 1.00 0.00 N ATOM 67 CA ASN A 8 -20.656 13.803 11.312 1.00 0.00 C ATOM 68 C ASN A 8 -20.134 12.527 11.967 1.00 0.00 C ATOM 69 O ASN A 8 -20.673 12.067 12.972 1.00 0.00 O ATOM 70 CB ASN A 8 -21.034 13.524 9.856 1.00 0.00 C ATOM 71 CG ASN A 8 -22.448 12.994 9.718 1.00 0.00 C ATOM 72 OD1 ASN A 8 -23.381 13.515 10.329 1.00 0.00 O ATOM 73 ND2 ASN A 8 -22.613 11.952 8.911 1.00 0.00 N ATOM 0 H ASN A 8 -19.419 15.276 10.480 1.00 0.00 H new ATOM 0 HA ASN A 8 -21.543 14.132 11.854 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.934 14.441 9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.335 12.802 9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -23.542 11.552 8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.811 11.552 8.424 1.00 0.00 H new ATOM 80 N GLY A 9 -19.079 11.961 11.388 1.00 0.00 N ATOM 81 CA GLY A 9 -18.501 10.745 11.929 1.00 0.00 C ATOM 82 C GLY A 9 -17.855 9.885 10.860 1.00 0.00 C ATOM 83 O GLY A 9 -16.636 9.717 10.842 1.00 0.00 O ATOM 0 H GLY A 9 -18.615 12.323 10.555 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -17.756 11.004 12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.278 10.170 12.433 1.00 0.00 H new ATOM 87 N MET A 10 -18.675 9.338 9.968 1.00 0.00 N ATOM 88 CA MET A 10 -18.176 8.490 8.892 1.00 0.00 C ATOM 89 C MET A 10 -17.408 7.297 9.451 1.00 0.00 C ATOM 90 O MET A 10 -16.361 6.918 8.924 1.00 0.00 O ATOM 91 CB MET A 10 -17.275 9.297 7.954 1.00 0.00 C ATOM 92 CG MET A 10 -18.024 10.341 7.142 1.00 0.00 C ATOM 93 SD MET A 10 -16.928 11.579 6.423 1.00 0.00 S ATOM 94 CE MET A 10 -16.401 12.459 7.891 1.00 0.00 C ATOM 0 H MET A 10 -19.687 9.467 9.969 1.00 0.00 H new ATOM 0 HA MET A 10 -19.033 8.117 8.330 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.502 9.792 8.542 1.00 0.00 H new ATOM 0 HB3 MET A 10 -16.768 8.613 7.273 1.00 0.00 H new ATOM 0 HG2 MET A 10 -18.579 9.846 6.345 1.00 0.00 H new ATOM 0 HG3 MET A 10 -18.756 10.836 7.780 1.00 0.00 H new ATOM 0 HE1 MET A 10 -16.072 13.461 7.616 1.00 0.00 H new ATOM 0 HE2 MET A 10 -17.233 12.529 8.591 1.00 0.00 H new ATOM 0 HE3 MET A 10 -15.576 11.923 8.360 1.00 0.00 H new ATOM 104 N ASP A 11 -17.933 6.709 10.520 1.00 0.00 N ATOM 105 CA ASP A 11 -17.297 5.558 11.150 1.00 0.00 C ATOM 106 C ASP A 11 -17.501 4.299 10.313 1.00 0.00 C ATOM 107 O ASP A 11 -16.588 3.487 10.164 1.00 0.00 O ATOM 108 CB ASP A 11 -17.857 5.346 12.557 1.00 0.00 C ATOM 109 CG ASP A 11 -17.635 6.546 13.456 1.00 0.00 C ATOM 110 OD1 ASP A 11 -16.546 6.640 14.061 1.00 0.00 O ATOM 111 OD2 ASP A 11 -18.549 7.391 13.555 1.00 0.00 O ATOM 0 H ASP A 11 -18.798 7.011 10.969 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.228 5.757 11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -18.925 5.137 12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.387 4.470 13.003 1.00 0.00 H new ATOM 116 N GLU A 12 -18.704 4.144 9.769 1.00 0.00 N ATOM 117 CA GLU A 12 -19.027 2.982 8.949 1.00 0.00 C ATOM 118 C GLU A 12 -18.038 2.838 7.796 1.00 0.00 C ATOM 119 O GLU A 12 -17.738 1.729 7.357 1.00 0.00 O ATOM 120 CB GLU A 12 -20.451 3.096 8.402 1.00 0.00 C ATOM 121 CG GLU A 12 -20.686 4.347 7.571 1.00 0.00 C ATOM 122 CD GLU A 12 -20.340 4.149 6.108 1.00 0.00 C ATOM 123 OE1 GLU A 12 -20.541 3.028 5.597 1.00 0.00 O ATOM 124 OE2 GLU A 12 -19.869 5.116 5.474 1.00 0.00 O ATOM 0 H GLU A 12 -19.470 4.808 9.881 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.957 2.095 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.668 2.219 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -21.153 3.087 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -21.731 4.644 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.088 5.164 7.974 1.00 0.00 H new ATOM 131 N GLU A 13 -17.534 3.969 7.311 1.00 0.00 N ATOM 132 CA GLU A 13 -16.580 3.969 6.208 1.00 0.00 C ATOM 133 C GLU A 13 -15.213 3.475 6.672 1.00 0.00 C ATOM 134 O GLU A 13 -14.528 2.750 5.952 1.00 0.00 O ATOM 135 CB GLU A 13 -16.453 5.374 5.614 1.00 0.00 C ATOM 136 CG GLU A 13 -15.361 5.494 4.564 1.00 0.00 C ATOM 137 CD GLU A 13 -15.577 6.669 3.630 1.00 0.00 C ATOM 138 OE1 GLU A 13 -15.331 7.817 4.054 1.00 0.00 O ATOM 139 OE2 GLU A 13 -15.993 6.439 2.475 1.00 0.00 O ATOM 0 H GLU A 13 -17.770 4.896 7.664 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.951 3.290 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.406 5.659 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.252 6.082 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.396 5.601 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.320 4.574 3.981 1.00 0.00 H new ATOM 146 N GLN A 14 -14.824 3.874 7.878 1.00 0.00 N ATOM 147 CA GLN A 14 -13.539 3.474 8.438 1.00 0.00 C ATOM 148 C GLN A 14 -13.499 1.970 8.687 1.00 0.00 C ATOM 149 O GLN A 14 -12.440 1.346 8.615 1.00 0.00 O ATOM 150 CB GLN A 14 -13.269 4.226 9.741 1.00 0.00 C ATOM 151 CG GLN A 14 -12.935 5.695 9.538 1.00 0.00 C ATOM 152 CD GLN A 14 -12.563 6.394 10.831 1.00 0.00 C ATOM 153 OE1 GLN A 14 -12.805 5.877 11.922 1.00 0.00 O ATOM 154 NE2 GLN A 14 -11.971 7.577 10.716 1.00 0.00 N ATOM 0 H GLN A 14 -15.381 4.474 8.486 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.763 3.725 7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.145 4.147 10.385 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.444 3.743 10.265 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.109 5.781 8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.791 6.200 9.090 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.789 7.969 9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.698 8.094 11.552 1.00 0.00 H new ATOM 163 N ARG A 15 -14.659 1.393 8.982 1.00 0.00 N ATOM 164 CA ARG A 15 -14.757 -0.038 9.244 1.00 0.00 C ATOM 165 C ARG A 15 -14.521 -0.842 7.969 1.00 0.00 C ATOM 166 O ARG A 15 -13.714 -1.771 7.950 1.00 0.00 O ATOM 167 CB ARG A 15 -16.129 -0.379 9.828 1.00 0.00 C ATOM 168 CG ARG A 15 -16.279 0.003 11.292 1.00 0.00 C ATOM 169 CD ARG A 15 -17.617 -0.455 11.852 1.00 0.00 C ATOM 170 NE ARG A 15 -17.747 -1.909 11.838 1.00 0.00 N ATOM 171 CZ ARG A 15 -18.820 -2.555 12.281 1.00 0.00 C ATOM 172 NH1 ARG A 15 -19.850 -1.879 12.770 1.00 0.00 N ATOM 173 NH2 ARG A 15 -18.864 -3.881 12.235 1.00 0.00 N ATOM 0 H ARG A 15 -15.545 1.895 9.046 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.986 -0.302 9.968 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.898 0.130 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.305 -1.449 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.469 -0.442 11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.189 1.084 11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.726 -0.091 12.874 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.425 -0.013 11.268 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.972 -2.459 11.468 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.820 -0.860 12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.673 -2.378 13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.073 -4.405 11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.688 -4.376 12.575 1.00 0.00 H new ATOM 187 N GLN A 16 -15.231 -0.477 6.906 1.00 0.00 N ATOM 188 CA GLN A 16 -15.100 -1.165 5.627 1.00 0.00 C ATOM 189 C GLN A 16 -13.646 -1.187 5.167 1.00 0.00 C ATOM 190 O GLN A 16 -13.180 -2.171 4.594 1.00 0.00 O ATOM 191 CB GLN A 16 -15.972 -0.489 4.568 1.00 0.00 C ATOM 192 CG GLN A 16 -17.429 -0.922 4.612 1.00 0.00 C ATOM 193 CD GLN A 16 -18.151 -0.672 3.303 1.00 0.00 C ATOM 194 OE1 GLN A 16 -18.150 0.445 2.784 1.00 0.00 O ATOM 195 NE2 GLN A 16 -18.774 -1.712 2.761 1.00 0.00 N ATOM 0 H GLN A 16 -15.902 0.291 6.905 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.435 -2.193 5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.919 0.592 4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.566 -0.709 3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.482 -1.983 4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.939 -0.386 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.749 -2.620 3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.277 -1.603 1.881 1.00 0.00 H new ATOM 204 N LYS A 17 -12.934 -0.095 5.423 1.00 0.00 N ATOM 205 CA LYS A 17 -11.532 0.012 5.036 1.00 0.00 C ATOM 206 C LYS A 17 -10.697 -1.069 5.713 1.00 0.00 C ATOM 207 O LYS A 17 -9.675 -1.503 5.180 1.00 0.00 O ATOM 208 CB LYS A 17 -10.986 1.395 5.399 1.00 0.00 C ATOM 209 CG LYS A 17 -11.318 2.468 4.377 1.00 0.00 C ATOM 210 CD LYS A 17 -11.282 3.856 4.993 1.00 0.00 C ATOM 211 CE LYS A 17 -11.312 4.941 3.927 1.00 0.00 C ATOM 212 NZ LYS A 17 -12.575 4.909 3.139 1.00 0.00 N ATOM 0 H LYS A 17 -13.305 0.729 5.897 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.467 -0.126 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.387 1.692 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.903 1.332 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.608 2.417 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.307 2.280 3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.133 3.980 5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.381 3.963 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.203 5.917 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.462 4.815 3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.364 4.648 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.224 4.209 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.021 5.848 3.160 1.00 0.00 H new ATOM 226 N ARG A 18 -11.138 -1.502 6.890 1.00 0.00 N ATOM 227 CA ARG A 18 -10.431 -2.534 7.639 1.00 0.00 C ATOM 228 C ARG A 18 -10.378 -3.839 6.850 1.00 0.00 C ATOM 229 O ARG A 18 -9.360 -4.531 6.843 1.00 0.00 O ATOM 230 CB ARG A 18 -11.110 -2.769 8.989 1.00 0.00 C ATOM 231 CG ARG A 18 -11.302 -1.500 9.804 1.00 0.00 C ATOM 232 CD ARG A 18 -9.975 -0.816 10.090 1.00 0.00 C ATOM 233 NE ARG A 18 -10.075 0.132 11.197 1.00 0.00 N ATOM 234 CZ ARG A 18 -10.178 -0.233 12.470 1.00 0.00 C ATOM 235 NH1 ARG A 18 -10.193 -1.519 12.796 1.00 0.00 N ATOM 236 NH2 ARG A 18 -10.265 0.688 13.421 1.00 0.00 N ATOM 0 H ARG A 18 -11.982 -1.154 7.345 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.410 -2.190 7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.082 -3.233 8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.515 -3.475 9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.957 -0.815 9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.798 -1.742 10.744 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.222 -1.569 10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.636 -0.294 9.195 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.065 1.129 10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.125 -2.230 12.068 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.272 -1.796 13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.253 1.678 13.175 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.344 0.406 14.398 1.00 0.00 H new ATOM 250 N ARG A 19 -11.482 -4.169 6.187 1.00 0.00 N ATOM 251 CA ARG A 19 -11.562 -5.391 5.396 1.00 0.00 C ATOM 252 C ARG A 19 -10.567 -5.356 4.240 1.00 0.00 C ATOM 253 O ARG A 19 -9.832 -6.317 4.011 1.00 0.00 O ATOM 254 CB ARG A 19 -12.980 -5.584 4.858 1.00 0.00 C ATOM 255 CG ARG A 19 -14.002 -5.910 5.935 1.00 0.00 C ATOM 256 CD ARG A 19 -13.962 -7.383 6.311 1.00 0.00 C ATOM 257 NE ARG A 19 -15.102 -7.767 7.140 1.00 0.00 N ATOM 258 CZ ARG A 19 -16.339 -7.898 6.674 1.00 0.00 C ATOM 259 NH1 ARG A 19 -16.594 -7.676 5.392 1.00 0.00 N ATOM 260 NH2 ARG A 19 -17.323 -8.250 7.491 1.00 0.00 N ATOM 0 H ARG A 19 -12.333 -3.607 6.182 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.310 -6.231 6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.289 -4.677 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.973 -6.387 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.808 -5.302 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.000 -5.650 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.952 -7.988 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.037 -7.596 6.846 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.939 -7.944 8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.840 -7.404 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.545 -7.777 5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.130 -8.420 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -18.273 -8.350 7.132 1.00 0.00 H new ATOM 274 N ARG A 20 -10.551 -4.243 3.514 1.00 0.00 N ATOM 275 CA ARG A 20 -9.648 -4.084 2.380 1.00 0.00 C ATOM 276 C ARG A 20 -8.207 -4.374 2.787 1.00 0.00 C ATOM 277 O ARG A 20 -7.443 -4.966 2.024 1.00 0.00 O ATOM 278 CB ARG A 20 -9.754 -2.668 1.811 1.00 0.00 C ATOM 279 CG ARG A 20 -11.180 -2.242 1.500 1.00 0.00 C ATOM 280 CD ARG A 20 -11.211 -0.979 0.652 1.00 0.00 C ATOM 281 NE ARG A 20 -11.045 -1.270 -0.769 1.00 0.00 N ATOM 282 CZ ARG A 20 -11.286 -0.389 -1.733 1.00 0.00 C ATOM 283 NH1 ARG A 20 -11.701 0.833 -1.429 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.111 -0.728 -3.004 1.00 0.00 N ATOM 0 H ARG A 20 -11.153 -3.438 3.691 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.941 -4.800 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.321 -1.966 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.158 -2.606 0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.695 -3.047 0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.721 -2.070 2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.157 -0.461 0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.420 -0.304 0.979 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.726 -2.201 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.836 1.098 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.886 1.508 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.791 -1.667 -3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.297 -0.050 -3.743 1.00 0.00 H new ATOM 298 N ILE A 21 -7.842 -3.952 3.993 1.00 0.00 N ATOM 299 CA ILE A 21 -6.493 -4.166 4.502 1.00 0.00 C ATOM 300 C ILE A 21 -6.264 -5.633 4.852 1.00 0.00 C ATOM 301 O ILE A 21 -5.199 -6.186 4.582 1.00 0.00 O ATOM 302 CB ILE A 21 -6.217 -3.304 5.747 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.432 -1.823 5.427 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.803 -3.542 6.254 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.404 -0.930 6.648 1.00 0.00 C ATOM 0 H ILE A 21 -8.462 -3.460 4.636 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.806 -3.872 3.708 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.916 -3.592 6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.661 -1.495 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.391 -1.704 4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.624 -2.925 7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.683 -4.593 6.517 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.088 -3.279 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.563 0.105 6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.192 -1.232 7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.436 -1.019 7.142 1.00 0.00 H new ATOM 317 N GLU A 22 -7.273 -6.256 5.454 1.00 0.00 N ATOM 318 CA GLU A 22 -7.181 -7.659 5.840 1.00 0.00 C ATOM 319 C GLU A 22 -6.837 -8.533 4.637 1.00 0.00 C ATOM 320 O GLU A 22 -5.771 -9.146 4.585 1.00 0.00 O ATOM 321 CB GLU A 22 -8.498 -8.126 6.464 1.00 0.00 C ATOM 322 CG GLU A 22 -8.607 -7.827 7.950 1.00 0.00 C ATOM 323 CD GLU A 22 -10.023 -7.972 8.472 1.00 0.00 C ATOM 324 OE1 GLU A 22 -10.815 -7.019 8.310 1.00 0.00 O ATOM 325 OE2 GLU A 22 -10.341 -9.037 9.041 1.00 0.00 O ATOM 0 H GLU A 22 -8.162 -5.812 5.684 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.384 -7.755 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.327 -7.646 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.603 -9.200 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.950 -8.500 8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.256 -6.813 8.139 1.00 0.00 H new ATOM 332 N VAL A 23 -7.749 -8.586 3.672 1.00 0.00 N ATOM 333 CA VAL A 23 -7.544 -9.384 2.469 1.00 0.00 C ATOM 334 C VAL A 23 -6.201 -9.065 1.821 1.00 0.00 C ATOM 335 O VAL A 23 -5.444 -9.967 1.462 1.00 0.00 O ATOM 336 CB VAL A 23 -8.666 -9.148 1.440 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.445 -10.005 0.203 1.00 0.00 C ATOM 338 CG2 VAL A 23 -10.025 -9.433 2.061 1.00 0.00 C ATOM 0 H VAL A 23 -8.637 -8.086 3.700 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.558 -10.430 2.777 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.643 -8.102 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.247 -9.825 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.489 -9.748 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.441 -11.058 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.806 -9.261 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.062 -10.470 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.181 -8.772 2.913 1.00 0.00 H new ATOM 348 N ALA A 24 -5.911 -7.776 1.675 1.00 0.00 N ATOM 349 CA ALA A 24 -4.658 -7.339 1.073 1.00 0.00 C ATOM 350 C ALA A 24 -3.460 -7.925 1.811 1.00 0.00 C ATOM 351 O ALA A 24 -2.581 -8.536 1.203 1.00 0.00 O ATOM 352 CB ALA A 24 -4.582 -5.819 1.060 1.00 0.00 C ATOM 0 H ALA A 24 -6.527 -7.017 1.965 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.630 -7.702 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.641 -5.506 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.414 -5.418 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.636 -5.443 2.082 1.00 0.00 H new ATOM 358 N LEU A 25 -3.430 -7.733 3.126 1.00 0.00 N ATOM 359 CA LEU A 25 -2.338 -8.243 3.948 1.00 0.00 C ATOM 360 C LEU A 25 -2.137 -9.738 3.722 1.00 0.00 C ATOM 361 O LEU A 25 -1.024 -10.191 3.455 1.00 0.00 O ATOM 362 CB LEU A 25 -2.619 -7.973 5.427 1.00 0.00 C ATOM 363 CG LEU A 25 -2.137 -6.625 5.967 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.532 -6.463 7.426 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.630 -6.493 5.803 1.00 0.00 C ATOM 0 H LEU A 25 -4.149 -7.228 3.645 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.424 -7.725 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.694 -8.044 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.154 -8.764 6.015 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.616 -5.832 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.181 -5.499 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.617 -6.513 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.082 -7.261 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.305 -5.528 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.133 -7.292 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.371 -6.564 4.746 1.00 0.00 H new ATOM 377 N ILE A 26 -3.222 -10.498 3.827 1.00 0.00 N ATOM 378 CA ILE A 26 -3.165 -11.941 3.630 1.00 0.00 C ATOM 379 C ILE A 26 -2.519 -12.288 2.293 1.00 0.00 C ATOM 380 O ILE A 26 -1.491 -12.962 2.246 1.00 0.00 O ATOM 381 CB ILE A 26 -4.568 -12.573 3.689 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.231 -12.270 5.035 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.483 -14.074 3.461 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.729 -12.482 5.032 1.00 0.00 C ATOM 0 H ILE A 26 -4.151 -10.138 4.047 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.559 -12.346 4.440 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.179 -12.139 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.784 -12.903 5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.019 -11.237 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.483 -14.506 3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.047 -14.269 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.858 -14.524 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.131 -12.248 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.187 -11.829 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.949 -13.521 4.787 1.00 0.00 H new ATOM 396 N GLU A 27 -3.130 -11.822 1.208 1.00 0.00 N ATOM 397 CA GLU A 27 -2.614 -12.083 -0.130 1.00 0.00 C ATOM 398 C GLU A 27 -1.140 -11.699 -0.229 1.00 0.00 C ATOM 399 O GLU A 27 -0.318 -12.470 -0.723 1.00 0.00 O ATOM 400 CB GLU A 27 -3.425 -11.312 -1.173 1.00 0.00 C ATOM 401 CG GLU A 27 -4.798 -11.907 -1.438 1.00 0.00 C ATOM 402 CD GLU A 27 -4.728 -13.339 -1.931 1.00 0.00 C ATOM 403 OE1 GLU A 27 -3.950 -13.605 -2.871 1.00 0.00 O ATOM 404 OE2 GLU A 27 -5.452 -14.193 -1.378 1.00 0.00 O ATOM 0 H GLU A 27 -3.982 -11.262 1.230 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.707 -13.151 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.543 -10.281 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.865 -11.282 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.389 -11.870 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.318 -11.297 -2.177 1.00 0.00 H new ATOM 411 N TYR A 28 -0.815 -10.501 0.243 1.00 0.00 N ATOM 412 CA TYR A 28 0.558 -10.011 0.206 1.00 0.00 C ATOM 413 C TYR A 28 1.501 -10.980 0.912 1.00 0.00 C ATOM 414 O TYR A 28 2.502 -11.416 0.343 1.00 0.00 O ATOM 415 CB TYR A 28 0.647 -8.630 0.857 1.00 0.00 C ATOM 416 CG TYR A 28 1.980 -7.947 0.648 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.567 -7.895 -0.610 1.00 0.00 C ATOM 418 CD2 TYR A 28 2.652 -7.353 1.709 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.785 -7.273 -0.805 1.00 0.00 C ATOM 420 CE2 TYR A 28 3.869 -6.727 1.523 1.00 0.00 C ATOM 421 CZ TYR A 28 4.432 -6.691 0.264 1.00 0.00 C ATOM 422 OH TYR A 28 5.645 -6.069 0.074 1.00 0.00 O ATOM 0 H TYR A 28 -1.484 -9.851 0.656 1.00 0.00 H new ATOM 0 HA TYR A 28 0.861 -9.933 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.143 -7.996 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.463 -8.729 1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.062 -8.349 -1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.215 -7.381 2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.228 -7.243 -1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.377 -6.268 2.358 1.00 0.00 H new ATOM 0 HH TYR A 28 5.786 -5.404 0.780 1.00 0.00 H new ATOM 432 N ARG A 29 1.173 -11.314 2.156 1.00 0.00 N ATOM 433 CA ARG A 29 1.990 -12.231 2.942 1.00 0.00 C ATOM 434 C ARG A 29 2.266 -13.515 2.165 1.00 0.00 C ATOM 435 O ARG A 29 3.416 -13.924 2.011 1.00 0.00 O ATOM 436 CB ARG A 29 1.296 -12.561 4.264 1.00 0.00 C ATOM 437 CG ARG A 29 2.256 -12.731 5.430 1.00 0.00 C ATOM 438 CD ARG A 29 1.680 -13.649 6.497 1.00 0.00 C ATOM 439 NE ARG A 29 2.643 -13.923 7.561 1.00 0.00 N ATOM 440 CZ ARG A 29 2.915 -13.071 8.543 1.00 0.00 C ATOM 441 NH1 ARG A 29 2.301 -11.897 8.596 1.00 0.00 N ATOM 442 NH2 ARG A 29 3.803 -13.392 9.475 1.00 0.00 N ATOM 0 H ARG A 29 0.347 -10.963 2.641 1.00 0.00 H new ATOM 0 HA ARG A 29 2.941 -11.742 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.587 -11.767 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.719 -13.478 4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.200 -13.139 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.476 -11.757 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.787 -13.192 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.369 -14.588 6.038 1.00 0.00 H new ATOM 0 HE ARG A 29 3.133 -14.817 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.618 -11.646 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.512 -11.245 9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.278 -14.294 9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.011 -12.737 10.229 1.00 0.00 H new ATOM 456 N GLU A 30 1.201 -14.147 1.679 1.00 0.00 N ATOM 457 CA GLU A 30 1.329 -15.385 0.920 1.00 0.00 C ATOM 458 C GLU A 30 2.284 -15.206 -0.257 1.00 0.00 C ATOM 459 O GLU A 30 3.141 -16.053 -0.511 1.00 0.00 O ATOM 460 CB GLU A 30 -0.040 -15.844 0.415 1.00 0.00 C ATOM 461 CG GLU A 30 -0.843 -16.617 1.448 1.00 0.00 C ATOM 462 CD GLU A 30 -0.366 -18.048 1.605 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.172 -18.726 0.574 1.00 0.00 O ATOM 464 OE2 GLU A 30 -0.186 -18.489 2.759 1.00 0.00 O ATOM 0 H GLU A 30 0.242 -13.822 1.798 1.00 0.00 H new ATOM 0 HA GLU A 30 1.737 -16.147 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.613 -14.972 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.099 -16.469 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.777 -16.108 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.894 -16.618 1.160 1.00 0.00 H new ATOM 471 N THR A 31 2.129 -14.097 -0.973 1.00 0.00 N ATOM 472 CA THR A 31 2.975 -13.806 -2.124 1.00 0.00 C ATOM 473 C THR A 31 4.442 -13.723 -1.721 1.00 0.00 C ATOM 474 O THR A 31 5.320 -14.215 -2.431 1.00 0.00 O ATOM 475 CB THR A 31 2.565 -12.485 -2.802 1.00 0.00 C ATOM 476 OG1 THR A 31 1.140 -12.417 -2.922 1.00 0.00 O ATOM 477 CG2 THR A 31 3.202 -12.363 -4.178 1.00 0.00 C ATOM 0 H THR A 31 1.425 -13.385 -0.776 1.00 0.00 H new ATOM 0 HA THR A 31 2.841 -14.625 -2.830 1.00 0.00 H new ATOM 0 HB THR A 31 2.916 -11.660 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.753 -12.130 -2.068 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.898 -11.422 -4.638 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.287 -12.385 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.878 -13.194 -4.804 1.00 0.00 H new ATOM 485 N LEU A 32 4.703 -13.100 -0.577 1.00 0.00 N ATOM 486 CA LEU A 32 6.066 -12.954 -0.079 1.00 0.00 C ATOM 487 C LEU A 32 6.664 -14.311 0.277 1.00 0.00 C ATOM 488 O LEU A 32 7.827 -14.584 -0.020 1.00 0.00 O ATOM 489 CB LEU A 32 6.086 -12.038 1.147 1.00 0.00 C ATOM 490 CG LEU A 32 5.660 -10.589 0.909 1.00 0.00 C ATOM 491 CD1 LEU A 32 5.858 -9.761 2.169 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.437 -9.988 -0.254 1.00 0.00 C ATOM 0 H LEU A 32 3.989 -12.688 0.023 1.00 0.00 H new ATOM 0 HA LEU A 32 6.670 -12.508 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.433 -12.467 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.096 -12.036 1.558 1.00 0.00 H new ATOM 0 HG LEU A 32 4.600 -10.579 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.550 -8.733 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.257 -10.178 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.910 -9.778 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.120 -8.956 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.503 -10.011 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.244 -10.566 -1.158 1.00 0.00 H new ATOM 504 N GLU A 33 5.861 -15.158 0.912 1.00 0.00 N ATOM 505 CA GLU A 33 6.311 -16.488 1.306 1.00 0.00 C ATOM 506 C GLU A 33 6.653 -17.332 0.081 1.00 0.00 C ATOM 507 O GLU A 33 7.657 -18.043 0.065 1.00 0.00 O ATOM 508 CB GLU A 33 5.236 -17.189 2.138 1.00 0.00 C ATOM 509 CG GLU A 33 5.266 -16.816 3.611 1.00 0.00 C ATOM 510 CD GLU A 33 4.314 -17.651 4.444 1.00 0.00 C ATOM 511 OE1 GLU A 33 3.802 -18.664 3.925 1.00 0.00 O ATOM 512 OE2 GLU A 33 4.082 -17.291 5.618 1.00 0.00 O ATOM 0 H GLU A 33 4.896 -14.947 1.165 1.00 0.00 H new ATOM 0 HA GLU A 33 7.211 -16.375 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.255 -16.944 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.361 -18.268 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.280 -16.939 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.010 -15.762 3.720 1.00 0.00 H new ATOM 519 N GLU A 34 5.809 -17.247 -0.943 1.00 0.00 N ATOM 520 CA GLU A 34 6.020 -18.004 -2.171 1.00 0.00 C ATOM 521 C GLU A 34 7.109 -17.361 -3.026 1.00 0.00 C ATOM 522 O GLU A 34 7.749 -18.028 -3.838 1.00 0.00 O ATOM 523 CB GLU A 34 4.719 -18.097 -2.970 1.00 0.00 C ATOM 524 CG GLU A 34 3.733 -19.110 -2.412 1.00 0.00 C ATOM 525 CD GLU A 34 4.212 -20.540 -2.574 1.00 0.00 C ATOM 526 OE1 GLU A 34 5.037 -20.789 -3.478 1.00 0.00 O ATOM 527 OE2 GLU A 34 3.762 -21.409 -1.798 1.00 0.00 O ATOM 0 H GLU A 34 4.974 -16.662 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 34 6.342 -19.009 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.245 -17.116 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.954 -18.361 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.566 -18.904 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.773 -18.993 -2.915 1.00 0.00 H new ATOM 534 N GLN A 35 7.312 -16.061 -2.835 1.00 0.00 N ATOM 535 CA GLN A 35 8.322 -15.328 -3.589 1.00 0.00 C ATOM 536 C GLN A 35 9.720 -15.852 -3.280 1.00 0.00 C ATOM 537 O GLN A 35 10.672 -15.581 -4.011 1.00 0.00 O ATOM 538 CB GLN A 35 8.243 -13.834 -3.270 1.00 0.00 C ATOM 539 CG GLN A 35 7.497 -13.026 -4.319 1.00 0.00 C ATOM 540 CD GLN A 35 7.235 -11.599 -3.880 1.00 0.00 C ATOM 541 OE1 GLN A 35 7.976 -11.040 -3.070 1.00 0.00 O ATOM 542 NE2 GLN A 35 6.177 -10.999 -4.414 1.00 0.00 N ATOM 0 H GLN A 35 6.791 -15.495 -2.165 1.00 0.00 H new ATOM 0 HA GLN A 35 8.125 -15.477 -4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.752 -13.702 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.254 -13.439 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.074 -13.017 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.548 -13.514 -4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.590 -11.499 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.952 -10.038 -4.157 1.00 0.00 H new ATOM 551 N GLY A 36 9.837 -16.606 -2.190 1.00 0.00 N ATOM 552 CA GLY A 36 11.122 -17.156 -1.803 1.00 0.00 C ATOM 553 C GLY A 36 11.598 -16.630 -0.463 1.00 0.00 C ATOM 554 O GLY A 36 12.752 -16.831 -0.085 1.00 0.00 O ATOM 0 H GLY A 36 9.064 -16.845 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.050 -18.243 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.861 -16.917 -2.567 1.00 0.00 H new ATOM 558 N MET A 37 10.708 -15.954 0.255 1.00 0.00 N ATOM 559 CA MET A 37 11.045 -15.397 1.560 1.00 0.00 C ATOM 560 C MET A 37 10.612 -16.337 2.680 1.00 0.00 C ATOM 561 O MET A 37 9.427 -16.637 2.831 1.00 0.00 O ATOM 562 CB MET A 37 10.382 -14.030 1.741 1.00 0.00 C ATOM 563 CG MET A 37 10.791 -13.012 0.689 1.00 0.00 C ATOM 564 SD MET A 37 9.718 -11.563 0.670 1.00 0.00 S ATOM 565 CE MET A 37 9.580 -11.221 2.423 1.00 0.00 C ATOM 0 H MET A 37 9.749 -15.779 -0.044 1.00 0.00 H new ATOM 0 HA MET A 37 12.127 -15.277 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.299 -14.154 1.713 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.633 -13.641 2.728 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.818 -12.696 0.874 1.00 0.00 H new ATOM 0 HG3 MET A 37 10.775 -13.484 -0.293 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.560 -11.417 2.753 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.268 -11.862 2.974 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.828 -10.176 2.611 1.00 0.00 H new ATOM 575 N LYS A 38 11.579 -16.801 3.465 1.00 0.00 N ATOM 576 CA LYS A 38 11.298 -17.707 4.572 1.00 0.00 C ATOM 577 C LYS A 38 11.684 -17.073 5.905 1.00 0.00 C ATOM 578 O LYS A 38 11.354 -17.595 6.969 1.00 0.00 O ATOM 579 CB LYS A 38 12.055 -19.024 4.384 1.00 0.00 C ATOM 580 CG LYS A 38 13.550 -18.844 4.186 1.00 0.00 C ATOM 581 CD LYS A 38 14.288 -20.169 4.283 1.00 0.00 C ATOM 582 CE LYS A 38 15.735 -20.034 3.834 1.00 0.00 C ATOM 583 NZ LYS A 38 16.592 -21.118 4.389 1.00 0.00 N ATOM 0 H LYS A 38 12.565 -16.564 3.355 1.00 0.00 H new ATOM 0 HA LYS A 38 10.227 -17.908 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.886 -19.658 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.644 -19.550 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.737 -18.392 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.937 -18.155 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.257 -20.530 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.783 -20.914 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.781 -20.056 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.124 -19.066 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.570 -20.990 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.569 -21.081 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.236 -22.041 4.067 1.00 0.00 H new ATOM 597 N ASN A 39 12.382 -15.944 5.838 1.00 0.00 N ATOM 598 CA ASN A 39 12.811 -15.239 7.040 1.00 0.00 C ATOM 599 C ASN A 39 11.697 -14.341 7.571 1.00 0.00 C ATOM 600 O ASN A 39 10.901 -13.785 6.814 1.00 0.00 O ATOM 601 CB ASN A 39 14.059 -14.403 6.748 1.00 0.00 C ATOM 602 CG ASN A 39 15.205 -14.727 7.688 1.00 0.00 C ATOM 603 OD1 ASN A 39 15.478 -15.894 7.971 1.00 0.00 O ATOM 604 ND2 ASN A 39 15.880 -13.693 8.176 1.00 0.00 N ATOM 0 H ASN A 39 12.662 -15.498 4.965 1.00 0.00 H new ATOM 0 HA ASN A 39 13.049 -15.982 7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.376 -14.576 5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.812 -13.345 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.661 -13.849 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 39 15.618 -12.743 7.913 1.00 0.00 H new ATOM 611 N PRO A 40 11.639 -14.195 8.903 1.00 0.00 N ATOM 612 CA PRO A 40 10.628 -13.365 9.565 1.00 0.00 C ATOM 613 C PRO A 40 10.845 -11.877 9.312 1.00 0.00 C ATOM 614 O PRO A 40 9.913 -11.158 8.952 1.00 0.00 O ATOM 615 CB PRO A 40 10.819 -13.689 11.048 1.00 0.00 C ATOM 616 CG PRO A 40 12.237 -14.133 11.160 1.00 0.00 C ATOM 617 CD PRO A 40 12.556 -14.828 9.865 1.00 0.00 C ATOM 0 HA PRO A 40 9.624 -13.573 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.627 -12.816 11.672 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.133 -14.471 11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.901 -13.283 11.321 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.370 -14.806 12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.598 -14.687 9.579 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.387 -15.903 9.934 1.00 0.00 H new ATOM 625 N GLU A 41 12.079 -11.422 9.504 1.00 0.00 N ATOM 626 CA GLU A 41 12.416 -10.018 9.297 1.00 0.00 C ATOM 627 C GLU A 41 11.996 -9.558 7.904 1.00 0.00 C ATOM 628 O GLU A 41 11.398 -8.494 7.745 1.00 0.00 O ATOM 629 CB GLU A 41 13.918 -9.798 9.488 1.00 0.00 C ATOM 630 CG GLU A 41 14.458 -10.377 10.784 1.00 0.00 C ATOM 631 CD GLU A 41 13.614 -10.003 11.987 1.00 0.00 C ATOM 632 OE1 GLU A 41 13.755 -8.864 12.480 1.00 0.00 O ATOM 633 OE2 GLU A 41 12.812 -10.849 12.436 1.00 0.00 O ATOM 0 H GLU A 41 12.861 -12.004 9.802 1.00 0.00 H new ATOM 0 HA GLU A 41 11.873 -9.427 10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.452 -10.246 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.126 -8.728 9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.504 -11.463 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.478 -10.025 10.937 1.00 0.00 H new ATOM 640 N GLU A 42 12.315 -10.367 6.898 1.00 0.00 N ATOM 641 CA GLU A 42 11.972 -10.042 5.519 1.00 0.00 C ATOM 642 C GLU A 42 10.467 -9.842 5.365 1.00 0.00 C ATOM 643 O GLU A 42 10.004 -8.740 5.069 1.00 0.00 O ATOM 644 CB GLU A 42 12.450 -11.149 4.577 1.00 0.00 C ATOM 645 CG GLU A 42 12.795 -10.654 3.182 1.00 0.00 C ATOM 646 CD GLU A 42 14.160 -9.996 3.118 1.00 0.00 C ATOM 647 OE1 GLU A 42 15.172 -10.725 3.164 1.00 0.00 O ATOM 648 OE2 GLU A 42 14.215 -8.752 3.022 1.00 0.00 O ATOM 0 H GLU A 42 12.810 -11.251 7.013 1.00 0.00 H new ATOM 0 HA GLU A 42 12.473 -9.110 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.327 -11.630 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.674 -11.911 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.767 -11.492 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.037 -9.942 2.855 1.00 0.00 H new ATOM 655 N ILE A 43 9.710 -10.915 5.566 1.00 0.00 N ATOM 656 CA ILE A 43 8.258 -10.858 5.450 1.00 0.00 C ATOM 657 C ILE A 43 7.681 -9.743 6.317 1.00 0.00 C ATOM 658 O ILE A 43 6.977 -8.863 5.824 1.00 0.00 O ATOM 659 CB ILE A 43 7.608 -12.195 5.853 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.202 -13.342 5.033 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.100 -12.128 5.666 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.569 -14.685 5.326 1.00 0.00 C ATOM 0 H ILE A 43 10.078 -11.835 5.810 1.00 0.00 H new ATOM 0 HA ILE A 43 8.033 -10.655 4.403 1.00 0.00 H new ATOM 0 HB ILE A 43 7.815 -12.381 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.086 -13.118 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.272 -13.403 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.655 -13.080 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.691 -11.332 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.872 -11.923 4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.039 -15.451 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.708 -14.931 6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.503 -14.642 5.101 1.00 0.00 H new ATOM 674 N GLU A 44 7.986 -9.789 7.610 1.00 0.00 N ATOM 675 CA GLU A 44 7.498 -8.781 8.545 1.00 0.00 C ATOM 676 C GLU A 44 7.793 -7.375 8.032 1.00 0.00 C ATOM 677 O GLU A 44 6.949 -6.483 8.114 1.00 0.00 O ATOM 678 CB GLU A 44 8.137 -8.979 9.921 1.00 0.00 C ATOM 679 CG GLU A 44 7.643 -10.218 10.649 1.00 0.00 C ATOM 680 CD GLU A 44 8.500 -10.569 11.850 1.00 0.00 C ATOM 681 OE1 GLU A 44 9.550 -9.920 12.039 1.00 0.00 O ATOM 682 OE2 GLU A 44 8.120 -11.491 12.601 1.00 0.00 O ATOM 0 H GLU A 44 8.568 -10.512 8.034 1.00 0.00 H new ATOM 0 HA GLU A 44 6.418 -8.897 8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.219 -9.044 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.935 -8.102 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.615 -10.058 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.630 -11.060 9.957 1.00 0.00 H new ATOM 689 N ARG A 45 8.998 -7.184 7.504 1.00 0.00 N ATOM 690 CA ARG A 45 9.406 -5.887 6.979 1.00 0.00 C ATOM 691 C ARG A 45 8.478 -5.439 5.854 1.00 0.00 C ATOM 692 O ARG A 45 7.822 -4.402 5.951 1.00 0.00 O ATOM 693 CB ARG A 45 10.848 -5.948 6.472 1.00 0.00 C ATOM 694 CG ARG A 45 11.345 -4.635 5.890 1.00 0.00 C ATOM 695 CD ARG A 45 12.860 -4.625 5.752 1.00 0.00 C ATOM 696 NE ARG A 45 13.387 -3.271 5.607 1.00 0.00 N ATOM 697 CZ ARG A 45 13.222 -2.530 4.517 1.00 0.00 C ATOM 698 NH1 ARG A 45 12.546 -3.010 3.482 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.732 -1.307 4.462 1.00 0.00 N ATOM 0 H ARG A 45 9.709 -7.912 7.429 1.00 0.00 H new ATOM 0 HA ARG A 45 9.344 -5.160 7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.501 -6.242 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.924 -6.725 5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.888 -4.473 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.031 -3.810 6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.307 -5.096 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.149 -5.221 4.887 1.00 0.00 H new ATOM 0 HE ARG A 45 13.911 -2.872 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.152 -3.950 3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.420 -2.439 2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.251 -0.935 5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.605 -0.739 3.625 1.00 0.00 H new ATOM 713 N LYS A 46 8.428 -6.228 4.786 1.00 0.00 N ATOM 714 CA LYS A 46 7.580 -5.915 3.642 1.00 0.00 C ATOM 715 C LYS A 46 6.127 -5.741 4.072 1.00 0.00 C ATOM 716 O LYS A 46 5.511 -4.708 3.811 1.00 0.00 O ATOM 717 CB LYS A 46 7.683 -7.020 2.588 1.00 0.00 C ATOM 718 CG LYS A 46 9.028 -7.068 1.885 1.00 0.00 C ATOM 719 CD LYS A 46 8.987 -7.966 0.661 1.00 0.00 C ATOM 720 CE LYS A 46 10.335 -8.015 -0.041 1.00 0.00 C ATOM 721 NZ LYS A 46 10.205 -8.435 -1.464 1.00 0.00 N ATOM 0 H LYS A 46 8.965 -7.090 4.689 1.00 0.00 H new ATOM 0 HA LYS A 46 7.927 -4.976 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.497 -7.983 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.899 -6.875 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.320 -6.061 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.788 -7.430 2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.693 -8.973 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.228 -7.603 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.805 -7.033 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.993 -8.708 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.146 -8.456 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.780 -9.383 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.598 -7.760 -1.971 1.00 0.00 H new ATOM 735 N VAL A 47 5.585 -6.759 4.734 1.00 0.00 N ATOM 736 CA VAL A 47 4.205 -6.717 5.203 1.00 0.00 C ATOM 737 C VAL A 47 3.938 -5.454 6.013 1.00 0.00 C ATOM 738 O VAL A 47 2.962 -4.745 5.772 1.00 0.00 O ATOM 739 CB VAL A 47 3.868 -7.948 6.066 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.439 -7.865 6.580 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.085 -9.229 5.274 1.00 0.00 C ATOM 0 H VAL A 47 6.080 -7.622 4.957 1.00 0.00 H new ATOM 0 HA VAL A 47 3.570 -6.718 4.317 1.00 0.00 H new ATOM 0 HB VAL A 47 4.538 -7.962 6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.219 -8.743 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.322 -6.966 7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.750 -7.826 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.842 -10.089 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.441 -9.226 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.127 -9.291 4.961 1.00 0.00 H new ATOM 751 N GLU A 48 4.813 -5.178 6.975 1.00 0.00 N ATOM 752 CA GLU A 48 4.671 -3.999 7.822 1.00 0.00 C ATOM 753 C GLU A 48 4.542 -2.735 6.977 1.00 0.00 C ATOM 754 O GLU A 48 3.607 -1.953 7.150 1.00 0.00 O ATOM 755 CB GLU A 48 5.868 -3.875 8.767 1.00 0.00 C ATOM 756 CG GLU A 48 5.814 -2.646 9.659 1.00 0.00 C ATOM 757 CD GLU A 48 6.987 -2.568 10.616 1.00 0.00 C ATOM 758 OE1 GLU A 48 8.074 -2.126 10.189 1.00 0.00 O ATOM 759 OE2 GLU A 48 6.818 -2.949 11.793 1.00 0.00 O ATOM 0 H GLU A 48 5.627 -5.754 7.187 1.00 0.00 H new ATOM 0 HA GLU A 48 3.762 -4.115 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.920 -4.766 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.784 -3.846 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.797 -1.751 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.885 -2.656 10.229 1.00 0.00 H new ATOM 766 N ILE A 49 5.488 -2.543 6.063 1.00 0.00 N ATOM 767 CA ILE A 49 5.480 -1.375 5.192 1.00 0.00 C ATOM 768 C ILE A 49 4.163 -1.264 4.432 1.00 0.00 C ATOM 769 O ILE A 49 3.595 -0.180 4.308 1.00 0.00 O ATOM 770 CB ILE A 49 6.641 -1.420 4.180 1.00 0.00 C ATOM 771 CG1 ILE A 49 7.983 -1.481 4.913 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.589 -0.209 3.260 1.00 0.00 C ATOM 773 CD1 ILE A 49 9.107 -2.041 4.070 1.00 0.00 C ATOM 0 H ILE A 49 6.269 -3.181 5.907 1.00 0.00 H new ATOM 0 HA ILE A 49 5.601 -0.502 5.834 1.00 0.00 H new ATOM 0 HB ILE A 49 6.539 -2.319 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.253 -0.478 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.871 -2.093 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.415 -0.255 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.644 -0.205 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.670 0.702 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.028 -2.055 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.859 -3.056 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.246 -1.416 3.188 1.00 0.00 H new ATOM 785 N ASN A 50 3.682 -2.395 3.925 1.00 0.00 N ATOM 786 CA ASN A 50 2.430 -2.426 3.178 1.00 0.00 C ATOM 787 C ASN A 50 1.260 -1.995 4.058 1.00 0.00 C ATOM 788 O ASN A 50 0.479 -1.120 3.685 1.00 0.00 O ATOM 789 CB ASN A 50 2.176 -3.830 2.625 1.00 0.00 C ATOM 790 CG ASN A 50 1.675 -3.806 1.194 1.00 0.00 C ATOM 791 OD1 ASN A 50 1.966 -2.879 0.438 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.916 -4.828 0.816 1.00 0.00 N ATOM 0 H ASN A 50 4.140 -3.301 4.018 1.00 0.00 H new ATOM 0 HA ASN A 50 2.515 -1.725 2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.098 -4.409 2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.446 -4.339 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.549 -4.866 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.700 -5.575 1.476 1.00 0.00 H new ATOM 799 N ARG A 51 1.147 -2.616 5.228 1.00 0.00 N ATOM 800 CA ARG A 51 0.073 -2.297 6.161 1.00 0.00 C ATOM 801 C ARG A 51 0.038 -0.801 6.460 1.00 0.00 C ATOM 802 O ARG A 51 -1.002 -0.155 6.332 1.00 0.00 O ATOM 803 CB ARG A 51 0.248 -3.084 7.461 1.00 0.00 C ATOM 804 CG ARG A 51 -0.875 -2.865 8.462 1.00 0.00 C ATOM 805 CD ARG A 51 -0.735 -3.783 9.666 1.00 0.00 C ATOM 806 NE ARG A 51 -1.490 -3.295 10.817 1.00 0.00 N ATOM 807 CZ ARG A 51 -1.379 -3.806 12.038 1.00 0.00 C ATOM 808 NH1 ARG A 51 -0.550 -4.815 12.266 1.00 0.00 N ATOM 809 NH2 ARG A 51 -2.099 -3.307 13.035 1.00 0.00 N ATOM 0 H ARG A 51 1.786 -3.342 5.552 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.872 -2.579 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.312 -4.147 7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.194 -2.802 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.872 -1.826 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.835 -3.042 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.082 -4.782 9.402 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.318 -3.871 9.934 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.138 -2.520 10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.005 -5.201 11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.467 -5.205 13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.738 -2.531 12.864 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.013 -3.700 13.972 1.00 0.00 H new ATOM 823 N LYS A 52 1.183 -0.256 6.858 1.00 0.00 N ATOM 824 CA LYS A 52 1.285 1.164 7.175 1.00 0.00 C ATOM 825 C LYS A 52 0.852 2.018 5.988 1.00 0.00 C ATOM 826 O LYS A 52 0.067 2.954 6.139 1.00 0.00 O ATOM 827 CB LYS A 52 2.720 1.516 7.574 1.00 0.00 C ATOM 828 CG LYS A 52 2.999 1.342 9.057 1.00 0.00 C ATOM 829 CD LYS A 52 4.446 1.660 9.393 1.00 0.00 C ATOM 830 CE LYS A 52 4.686 3.160 9.459 1.00 0.00 C ATOM 831 NZ LYS A 52 5.891 3.494 10.268 1.00 0.00 N ATOM 0 H LYS A 52 2.053 -0.776 6.969 1.00 0.00 H new ATOM 0 HA LYS A 52 0.620 1.373 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.410 0.890 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.923 2.550 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.340 1.993 9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.772 0.318 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.707 1.206 10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.101 1.218 8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.806 3.553 8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.812 3.649 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.020 4.526 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.766 3.141 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.729 3.049 9.843 1.00 0.00 H new ATOM 845 N ARG A 53 1.367 1.689 4.808 1.00 0.00 N ATOM 846 CA ARG A 53 1.033 2.427 3.596 1.00 0.00 C ATOM 847 C ARG A 53 -0.463 2.351 3.308 1.00 0.00 C ATOM 848 O ARG A 53 -1.077 3.332 2.887 1.00 0.00 O ATOM 849 CB ARG A 53 1.821 1.878 2.405 1.00 0.00 C ATOM 850 CG ARG A 53 3.050 2.701 2.056 1.00 0.00 C ATOM 851 CD ARG A 53 4.079 2.669 3.175 1.00 0.00 C ATOM 852 NE ARG A 53 5.144 3.647 2.968 1.00 0.00 N ATOM 853 CZ ARG A 53 5.994 4.019 3.918 1.00 0.00 C ATOM 854 NH1 ARG A 53 5.906 3.497 5.133 1.00 0.00 N ATOM 855 NH2 ARG A 53 6.936 4.915 3.653 1.00 0.00 N ATOM 0 H ARG A 53 2.017 0.916 4.666 1.00 0.00 H new ATOM 0 HA ARG A 53 1.303 3.472 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.129 0.856 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.165 1.834 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.497 2.318 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.755 3.732 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.586 2.866 4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.512 1.671 3.241 1.00 0.00 H new ATOM 0 HE ARG A 53 5.240 4.067 2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.184 2.807 5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.561 3.785 5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.008 5.319 2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.588 5.200 4.383 1.00 0.00 H new ATOM 869 N LEU A 54 -1.045 1.179 3.538 1.00 0.00 N ATOM 870 CA LEU A 54 -2.470 0.973 3.303 1.00 0.00 C ATOM 871 C LEU A 54 -3.307 1.812 4.264 1.00 0.00 C ATOM 872 O LEU A 54 -4.210 2.535 3.845 1.00 0.00 O ATOM 873 CB LEU A 54 -2.825 -0.507 3.459 1.00 0.00 C ATOM 874 CG LEU A 54 -2.505 -1.403 2.263 1.00 0.00 C ATOM 875 CD1 LEU A 54 -2.643 -2.870 2.642 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.412 -1.068 1.087 1.00 0.00 C ATOM 0 H LEU A 54 -0.552 0.357 3.887 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.694 1.288 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.299 -0.896 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.892 -0.584 3.670 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.473 -1.221 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.411 -3.492 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.952 -3.103 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.664 -3.067 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.170 -1.716 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.452 -1.221 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.264 -0.027 0.799 1.00 0.00 H new ATOM 888 N GLU A 55 -2.998 1.711 5.553 1.00 0.00 N ATOM 889 CA GLU A 55 -3.722 2.462 6.572 1.00 0.00 C ATOM 890 C GLU A 55 -3.678 3.959 6.278 1.00 0.00 C ATOM 891 O GLU A 55 -4.716 4.612 6.169 1.00 0.00 O ATOM 892 CB GLU A 55 -3.131 2.186 7.956 1.00 0.00 C ATOM 893 CG GLU A 55 -3.697 0.944 8.622 1.00 0.00 C ATOM 894 CD GLU A 55 -3.003 0.615 9.930 1.00 0.00 C ATOM 895 OE1 GLU A 55 -2.284 1.490 10.455 1.00 0.00 O ATOM 896 OE2 GLU A 55 -3.177 -0.518 10.426 1.00 0.00 O ATOM 0 H GLU A 55 -2.252 1.117 5.916 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.762 2.136 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.050 2.079 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.313 3.048 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.762 1.088 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.603 0.097 7.942 1.00 0.00 H new ATOM 903 N VAL A 56 -2.469 4.496 6.151 1.00 0.00 N ATOM 904 CA VAL A 56 -2.288 5.916 5.869 1.00 0.00 C ATOM 905 C VAL A 56 -2.998 6.314 4.580 1.00 0.00 C ATOM 906 O VAL A 56 -3.635 7.365 4.510 1.00 0.00 O ATOM 907 CB VAL A 56 -0.796 6.280 5.755 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.628 7.773 5.520 1.00 0.00 C ATOM 909 CG2 VAL A 56 -0.044 5.840 7.002 1.00 0.00 C ATOM 0 H VAL A 56 -1.600 3.970 6.239 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.724 6.463 6.705 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.375 5.752 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.433 8.012 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.132 8.055 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.064 8.324 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.009 6.105 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.464 6.339 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.137 4.761 7.121 1.00 0.00 H new ATOM 919 N ASP A 57 -2.883 5.469 3.562 1.00 0.00 N ATOM 920 CA ASP A 57 -3.514 5.731 2.274 1.00 0.00 C ATOM 921 C ASP A 57 -5.018 5.934 2.438 1.00 0.00 C ATOM 922 O ASP A 57 -5.554 6.985 2.087 1.00 0.00 O ATOM 923 CB ASP A 57 -3.245 4.579 1.305 1.00 0.00 C ATOM 924 CG ASP A 57 -1.934 4.742 0.562 1.00 0.00 C ATOM 925 OD1 ASP A 57 -1.077 5.518 1.034 1.00 0.00 O ATOM 926 OD2 ASP A 57 -1.765 4.095 -0.493 1.00 0.00 O ATOM 0 H ASP A 57 -2.358 4.596 3.604 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.084 6.645 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.232 3.639 1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.061 4.515 0.586 1.00 0.00 H new ATOM 931 N TYR A 58 -5.691 4.921 2.971 1.00 0.00 N ATOM 932 CA TYR A 58 -7.133 4.987 3.178 1.00 0.00 C ATOM 933 C TYR A 58 -7.504 6.179 4.055 1.00 0.00 C ATOM 934 O TYR A 58 -8.565 6.779 3.889 1.00 0.00 O ATOM 935 CB TYR A 58 -7.637 3.692 3.818 1.00 0.00 C ATOM 936 CG TYR A 58 -7.557 2.492 2.901 1.00 0.00 C ATOM 937 CD1 TYR A 58 -8.190 2.494 1.664 1.00 0.00 C ATOM 938 CD2 TYR A 58 -6.847 1.357 3.272 1.00 0.00 C ATOM 939 CE1 TYR A 58 -8.119 1.400 0.824 1.00 0.00 C ATOM 940 CE2 TYR A 58 -6.770 0.258 2.437 1.00 0.00 C ATOM 941 CZ TYR A 58 -7.408 0.285 1.215 1.00 0.00 C ATOM 942 OH TYR A 58 -7.335 -0.807 0.380 1.00 0.00 O ATOM 0 H TYR A 58 -5.262 4.045 3.268 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.609 5.113 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.055 3.491 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.672 3.830 4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.747 3.366 1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.347 1.333 4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.618 1.418 -0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.213 -0.617 2.740 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.796 -1.507 0.804 1.00 0.00 H new ATOM 952 N GLY A 59 -6.620 6.516 4.989 1.00 0.00 N ATOM 953 CA GLY A 59 -6.872 7.635 5.878 1.00 0.00 C ATOM 954 C GLY A 59 -7.229 7.190 7.283 1.00 0.00 C ATOM 955 O GLY A 59 -8.006 7.852 7.973 1.00 0.00 O ATOM 0 H GLY A 59 -5.735 6.035 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.988 8.272 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.684 8.240 5.474 1.00 0.00 H new ATOM 959 N LEU A 60 -6.662 6.066 7.708 1.00 0.00 N ATOM 960 CA LEU A 60 -6.927 5.532 9.039 1.00 0.00 C ATOM 961 C LEU A 60 -5.877 6.012 10.036 1.00 0.00 C ATOM 962 O LEU A 60 -6.140 6.100 11.236 1.00 0.00 O ATOM 963 CB LEU A 60 -6.950 4.003 9.001 1.00 0.00 C ATOM 964 CG LEU A 60 -7.784 3.372 7.886 1.00 0.00 C ATOM 965 CD1 LEU A 60 -7.602 1.862 7.873 1.00 0.00 C ATOM 966 CD2 LEU A 60 -9.253 3.732 8.050 1.00 0.00 C ATOM 0 H LEU A 60 -6.016 5.507 7.150 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.902 5.896 9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.924 3.646 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.326 3.641 9.958 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.438 3.768 6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.203 1.430 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.551 1.624 7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.921 1.449 8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.832 3.274 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.612 3.365 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.369 4.815 8.009 1.00 0.00 H new ATOM 978 N SER A 61 -4.687 6.323 9.532 1.00 0.00 N ATOM 979 CA SER A 61 -3.597 6.792 10.378 1.00 0.00 C ATOM 980 C SER A 61 -2.995 8.081 9.825 1.00 0.00 C ATOM 981 O SER A 61 -2.790 9.046 10.558 1.00 0.00 O ATOM 982 CB SER A 61 -2.513 5.718 10.493 1.00 0.00 C ATOM 983 OG SER A 61 -1.741 5.897 11.668 1.00 0.00 O ATOM 0 H SER A 61 -4.454 6.258 8.541 1.00 0.00 H new ATOM 0 HA SER A 61 -4.002 6.997 11.369 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.975 4.731 10.504 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.864 5.757 9.618 1.00 0.00 H new ATOM 0 HG SER A 61 -1.057 5.198 11.719 1.00 0.00 H new TER 989 SER A 61