USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 833 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 68 THR OG1 : rot -63:sc= 1.29 USER MOD Set 1.2: A 70 MET CE :methyl -168:sc= -0.243 (180deg=-0.599) USER MOD Set 1.3: A 78 ASN : amide:sc= -0.766 X(o=0.28,f=-0.17) USER MOD Set 2.1: A 11 TYR OH : rot -21:sc= 0.165 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -0.476 K(o=-0.31,f=-2.8) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 9 CYS SG : rot -27:sc= 0.587 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0808 K(o=-0.081,f=-2!) USER MOD Single : A 10 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 13 SER OG : rot -53:sc= 1.22 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.0584 F(o=-0.58,f=-0.058) USER MOD Single : A 43 GLN : amide:sc= -0.0538 X(o=-0.054,f=-0.054) USER MOD Single : A 44 GLN : amide:sc= -1.1 K(o=-1.1,f=-17!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.12) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= 1.08 (180deg=0.304) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -31:sc= 0.0348 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -13:sc= 0.722 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 160:sc= -0.294 USER MOD Single : A 95 THR OG1 : rot -133:sc= 0.702 USER MOD Single : A 98 SER OG : rot 180:sc= -0.381 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.445 -0.617 -0.581 1.00 0.00 N ATOM 2 CA MET A 1 2.268 -0.757 -1.776 1.00 0.00 C ATOM 3 C MET A 1 1.696 -1.819 -2.710 1.00 0.00 C ATOM 4 O MET A 1 1.857 -3.017 -2.474 1.00 0.00 O ATOM 5 CB MET A 1 3.705 -1.119 -1.393 1.00 0.00 C ATOM 6 CG MET A 1 4.755 -0.347 -2.174 1.00 0.00 C ATOM 7 SD MET A 1 5.998 0.408 -1.108 1.00 0.00 S ATOM 8 CE MET A 1 6.765 1.560 -2.246 1.00 0.00 C ATOM 0 H1 MET A 1 1.854 0.111 0.039 1.00 0.00 H new ATOM 0 H2 MET A 1 0.481 -0.337 -0.854 1.00 0.00 H new ATOM 0 H3 MET A 1 1.412 -1.525 -0.074 1.00 0.00 H new ATOM 0 HA MET A 1 2.269 0.199 -2.299 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.846 -0.933 -0.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.857 -2.186 -1.553 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.246 -1.019 -2.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.266 0.430 -2.762 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.557 2.105 -1.733 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.188 1.012 -3.088 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.017 2.264 -2.610 1.00 0.00 H new ATOM 18 N ASP A 2 1.028 -1.373 -3.768 1.00 0.00 N ATOM 19 CA ASP A 2 0.433 -2.286 -4.737 1.00 0.00 C ATOM 20 C ASP A 2 1.491 -2.833 -5.689 1.00 0.00 C ATOM 21 O ASP A 2 2.475 -2.159 -5.993 1.00 0.00 O ATOM 22 CB ASP A 2 -0.667 -1.576 -5.529 1.00 0.00 C ATOM 23 CG ASP A 2 -1.394 -2.511 -6.475 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.624 -3.678 -6.095 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.732 -2.076 -7.596 1.00 0.00 O ATOM 0 H ASP A 2 0.885 -0.385 -3.977 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.005 -3.122 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.384 -1.136 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.229 -0.756 -6.098 1.00 0.00 H new ATOM 30 N ASN A 3 1.282 -4.059 -6.157 1.00 0.00 N ATOM 31 CA ASN A 3 2.219 -4.698 -7.074 1.00 0.00 C ATOM 32 C ASN A 3 2.488 -3.808 -8.284 1.00 0.00 C ATOM 33 O ASN A 3 3.566 -3.856 -8.875 1.00 0.00 O ATOM 34 CB ASN A 3 1.672 -6.051 -7.534 1.00 0.00 C ATOM 35 CG ASN A 3 1.913 -7.148 -6.515 1.00 0.00 C ATOM 36 OD1 ASN A 3 2.703 -6.984 -5.585 1.00 0.00 O ATOM 37 ND2 ASN A 3 1.231 -8.275 -6.687 1.00 0.00 N ATOM 0 H ASN A 3 0.472 -4.630 -5.916 1.00 0.00 H new ATOM 0 HA ASN A 3 3.158 -4.854 -6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.602 -5.962 -7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.140 -6.327 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.352 -9.049 -6.034 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.587 -8.366 -7.472 1.00 0.00 H new ATOM 44 N ARG A 4 1.500 -2.995 -8.645 1.00 0.00 N ATOM 45 CA ARG A 4 1.629 -2.095 -9.784 1.00 0.00 C ATOM 46 C ARG A 4 2.606 -0.964 -9.475 1.00 0.00 C ATOM 47 O ARG A 4 3.509 -0.676 -10.261 1.00 0.00 O ATOM 48 CB ARG A 4 0.265 -1.515 -10.161 1.00 0.00 C ATOM 49 CG ARG A 4 -0.643 -2.507 -10.871 1.00 0.00 C ATOM 50 CD ARG A 4 -1.821 -1.809 -11.532 1.00 0.00 C ATOM 51 NE ARG A 4 -2.962 -1.686 -10.629 1.00 0.00 N ATOM 52 CZ ARG A 4 -4.174 -1.313 -11.022 1.00 0.00 C ATOM 53 NH1 ARG A 4 -4.403 -1.028 -12.297 1.00 0.00 N ATOM 54 NH2 ARG A 4 -5.162 -1.224 -10.140 1.00 0.00 N ATOM 0 H ARG A 4 0.602 -2.942 -8.165 1.00 0.00 H new ATOM 0 HA ARG A 4 2.017 -2.669 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.233 -1.162 -9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.414 -0.647 -10.803 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.072 -3.051 -11.623 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.010 -3.243 -10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.514 -0.818 -11.865 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.120 -2.366 -12.420 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.820 -1.898 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.647 -1.095 -12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.335 -0.742 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.991 -1.442 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.093 -0.937 -10.444 1.00 0.00 H new ATOM 68 N VAL A 5 2.419 -0.325 -8.324 1.00 0.00 N ATOM 69 CA VAL A 5 3.283 0.773 -7.910 1.00 0.00 C ATOM 70 C VAL A 5 4.681 0.273 -7.564 1.00 0.00 C ATOM 71 O VAL A 5 5.678 0.929 -7.866 1.00 0.00 O ATOM 72 CB VAL A 5 2.701 1.518 -6.694 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.634 2.636 -6.255 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.317 2.062 -7.015 1.00 0.00 C ATOM 0 H VAL A 5 1.676 -0.550 -7.662 1.00 0.00 H new ATOM 0 HA VAL A 5 3.345 1.461 -8.753 1.00 0.00 H new ATOM 0 HB VAL A 5 2.606 0.812 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.206 3.151 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.602 2.216 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.764 3.344 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.921 2.585 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.384 2.753 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.653 1.237 -7.276 1.00 0.00 H new ATOM 84 N ARG A 6 4.746 -0.893 -6.930 1.00 0.00 N ATOM 85 CA ARG A 6 6.022 -1.482 -6.542 1.00 0.00 C ATOM 86 C ARG A 6 6.950 -1.611 -7.747 1.00 0.00 C ATOM 87 O ARG A 6 8.166 -1.470 -7.623 1.00 0.00 O ATOM 88 CB ARG A 6 5.802 -2.855 -5.905 1.00 0.00 C ATOM 89 CG ARG A 6 6.530 -3.038 -4.584 1.00 0.00 C ATOM 90 CD ARG A 6 5.594 -3.543 -3.497 1.00 0.00 C ATOM 91 NE ARG A 6 5.665 -4.993 -3.344 1.00 0.00 N ATOM 92 CZ ARG A 6 4.844 -5.692 -2.568 1.00 0.00 C ATOM 93 NH1 ARG A 6 3.893 -5.075 -1.878 1.00 0.00 N ATOM 94 NH2 ARG A 6 4.972 -7.010 -2.480 1.00 0.00 N ATOM 0 H ARG A 6 3.930 -1.449 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 6 6.491 -0.822 -5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.734 -3.005 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.132 -3.626 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.351 -3.743 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.970 -2.090 -4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.847 -3.066 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.571 -3.253 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 6 6.385 -5.497 -3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.791 -4.062 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.264 -5.614 -1.283 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.702 -7.488 -3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.341 -7.545 -1.884 1.00 0.00 H new ATOM 108 N GLU A 7 6.366 -1.881 -8.910 1.00 0.00 N ATOM 109 CA GLU A 7 7.141 -2.030 -10.136 1.00 0.00 C ATOM 110 C GLU A 7 7.679 -0.682 -10.608 1.00 0.00 C ATOM 111 O GLU A 7 8.768 -0.600 -11.175 1.00 0.00 O ATOM 112 CB GLU A 7 6.284 -2.662 -11.235 1.00 0.00 C ATOM 113 CG GLU A 7 6.201 -4.177 -11.147 1.00 0.00 C ATOM 114 CD GLU A 7 4.856 -4.715 -11.593 1.00 0.00 C ATOM 115 OE1 GLU A 7 4.375 -4.296 -12.666 1.00 0.00 O ATOM 116 OE2 GLU A 7 4.284 -5.556 -10.868 1.00 0.00 O ATOM 0 H GLU A 7 5.360 -2.001 -9.029 1.00 0.00 H new ATOM 0 HA GLU A 7 7.986 -2.685 -9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.277 -2.248 -11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.692 -2.385 -12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.986 -4.616 -11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.390 -4.488 -10.120 1.00 0.00 H new ATOM 123 N ALA A 8 6.906 0.372 -10.370 1.00 0.00 N ATOM 124 CA ALA A 8 7.304 1.717 -10.768 1.00 0.00 C ATOM 125 C ALA A 8 8.437 2.236 -9.891 1.00 0.00 C ATOM 126 O ALA A 8 9.427 2.773 -10.391 1.00 0.00 O ATOM 127 CB ALA A 8 6.112 2.660 -10.707 1.00 0.00 C ATOM 0 H ALA A 8 6.000 0.321 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 8 7.666 1.673 -11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.424 3.661 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.333 2.305 -11.382 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.724 2.691 -9.689 1.00 0.00 H new ATOM 133 N CYS A 9 8.287 2.074 -8.581 1.00 0.00 N ATOM 134 CA CYS A 9 9.298 2.529 -7.633 1.00 0.00 C ATOM 135 C CYS A 9 10.593 1.741 -7.800 1.00 0.00 C ATOM 136 O CYS A 9 11.683 2.264 -7.568 1.00 0.00 O ATOM 137 CB CYS A 9 8.783 2.389 -6.200 1.00 0.00 C ATOM 138 SG CYS A 9 8.798 0.694 -5.572 1.00 0.00 S ATOM 0 H CYS A 9 7.475 1.631 -8.151 1.00 0.00 H new ATOM 0 HA CYS A 9 9.504 3.580 -7.836 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.390 3.013 -5.545 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.764 2.774 -6.152 1.00 0.00 H new ATOM 0 HG CYS A 9 8.682 -0.138 -6.565 1.00 0.00 H new ATOM 144 N GLN A 10 10.466 0.481 -8.202 1.00 0.00 N ATOM 145 CA GLN A 10 11.626 -0.380 -8.398 1.00 0.00 C ATOM 146 C GLN A 10 12.508 0.144 -9.526 1.00 0.00 C ATOM 147 O GLN A 10 13.734 0.044 -9.467 1.00 0.00 O ATOM 148 CB GLN A 10 11.181 -1.811 -8.704 1.00 0.00 C ATOM 149 CG GLN A 10 12.267 -2.849 -8.474 1.00 0.00 C ATOM 150 CD GLN A 10 12.825 -2.807 -7.065 1.00 0.00 C ATOM 151 OE1 GLN A 10 12.081 -2.902 -6.088 1.00 0.00 O ATOM 152 NE2 GLN A 10 14.140 -2.665 -6.952 1.00 0.00 N ATOM 0 H GLN A 10 9.571 0.033 -8.398 1.00 0.00 H new ATOM 0 HA GLN A 10 12.208 -0.378 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.319 -2.055 -8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.852 -1.866 -9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.863 -3.842 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.076 -2.687 -9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.719 -2.590 -7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.572 -2.631 -6.029 1.00 0.00 H new ATOM 161 N TYR A 11 11.877 0.701 -10.553 1.00 0.00 N ATOM 162 CA TYR A 11 12.604 1.238 -11.697 1.00 0.00 C ATOM 163 C TYR A 11 13.377 2.495 -11.310 1.00 0.00 C ATOM 164 O TYR A 11 14.490 2.723 -11.784 1.00 0.00 O ATOM 165 CB TYR A 11 11.638 1.552 -12.841 1.00 0.00 C ATOM 166 CG TYR A 11 12.233 2.441 -13.909 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.210 1.964 -14.774 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.817 3.759 -14.055 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.757 2.773 -15.751 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.357 4.575 -15.030 1.00 0.00 C ATOM 171 CZ TYR A 11 13.327 4.078 -15.875 1.00 0.00 C ATOM 172 OH TYR A 11 13.868 4.887 -16.848 1.00 0.00 O ATOM 0 H TYR A 11 10.863 0.793 -10.617 1.00 0.00 H new ATOM 0 HA TYR A 11 13.316 0.483 -12.029 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.313 0.617 -13.298 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.749 2.033 -12.433 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.548 0.942 -14.681 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.058 4.152 -13.395 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.517 2.386 -16.414 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.021 5.597 -15.130 1.00 0.00 H new ATOM 0 HH TYR A 11 14.736 4.528 -17.127 1.00 0.00 H new ATOM 182 N ILE A 12 12.778 3.307 -10.446 1.00 0.00 N ATOM 183 CA ILE A 12 13.409 4.540 -9.993 1.00 0.00 C ATOM 184 C ILE A 12 14.716 4.252 -9.262 1.00 0.00 C ATOM 185 O ILE A 12 15.686 5.001 -9.385 1.00 0.00 O ATOM 186 CB ILE A 12 12.479 5.340 -9.062 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.175 5.687 -9.783 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.174 6.603 -8.576 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.010 5.920 -8.846 1.00 0.00 C ATOM 0 H ILE A 12 11.856 3.133 -10.046 1.00 0.00 H new ATOM 0 HA ILE A 12 13.616 5.134 -10.883 1.00 0.00 H new ATOM 0 HB ILE A 12 12.240 4.724 -8.195 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.330 6.581 -10.387 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.923 4.879 -10.470 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.504 7.157 -7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.077 6.334 -8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.440 7.224 -9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.119 6.161 -9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 12 9.828 5.019 -8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.242 6.748 -8.176 1.00 0.00 H new ATOM 201 N SER A 13 14.736 3.162 -8.503 1.00 0.00 N ATOM 202 CA SER A 13 15.923 2.775 -7.750 1.00 0.00 C ATOM 203 C SER A 13 17.114 2.571 -8.682 1.00 0.00 C ATOM 204 O SER A 13 18.251 2.892 -8.334 1.00 0.00 O ATOM 205 CB SER A 13 15.656 1.494 -6.957 1.00 0.00 C ATOM 206 OG SER A 13 15.790 0.348 -7.780 1.00 0.00 O ATOM 0 H SER A 13 13.943 2.530 -8.393 1.00 0.00 H new ATOM 0 HA SER A 13 16.161 3.580 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.352 1.428 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.652 1.527 -6.534 1.00 0.00 H new ATOM 0 HG SER A 13 15.227 0.449 -8.576 1.00 0.00 H new ATOM 212 N ASP A 14 16.845 2.035 -9.867 1.00 0.00 N ATOM 213 CA ASP A 14 17.893 1.788 -10.850 1.00 0.00 C ATOM 214 C ASP A 14 18.469 3.101 -11.372 1.00 0.00 C ATOM 215 O ASP A 14 19.624 3.161 -11.793 1.00 0.00 O ATOM 216 CB ASP A 14 17.345 0.960 -12.014 1.00 0.00 C ATOM 217 CG ASP A 14 18.410 0.094 -12.659 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.526 0.603 -12.892 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.126 -1.091 -12.933 1.00 0.00 O ATOM 0 H ASP A 14 15.910 1.763 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 14 18.691 1.230 -10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.534 0.327 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.921 1.628 -12.764 1.00 0.00 H new ATOM 224 N HIS A 15 17.655 4.152 -11.342 1.00 0.00 N ATOM 225 CA HIS A 15 18.083 5.465 -11.812 1.00 0.00 C ATOM 226 C HIS A 15 18.430 6.376 -10.638 1.00 0.00 C ATOM 227 O HIS A 15 18.493 7.597 -10.785 1.00 0.00 O ATOM 228 CB HIS A 15 16.989 6.106 -12.665 1.00 0.00 C ATOM 229 CG HIS A 15 16.860 5.501 -14.029 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.221 6.163 -15.183 1.00 0.00 N ATOM 231 CD2 HIS A 15 16.409 4.286 -14.419 1.00 0.00 C ATOM 232 CE1 HIS A 15 16.996 5.382 -16.225 1.00 0.00 C ATOM 233 NE2 HIS A 15 16.503 4.237 -15.788 1.00 0.00 N ATOM 0 H HIS A 15 16.696 4.120 -10.997 1.00 0.00 H new ATOM 0 HA HIS A 15 18.977 5.332 -12.422 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.035 6.016 -12.145 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.197 7.171 -12.767 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.043 3.501 -13.774 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.183 5.636 -17.258 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.236 3.445 -16.373 1.00 0.00 H new ATOM 241 N LEU A 16 18.652 5.775 -9.474 1.00 0.00 N ATOM 242 CA LEU A 16 18.991 6.532 -8.275 1.00 0.00 C ATOM 243 C LEU A 16 20.290 7.308 -8.469 1.00 0.00 C ATOM 244 O LEU A 16 20.486 8.368 -7.876 1.00 0.00 O ATOM 245 CB LEU A 16 19.119 5.593 -7.074 1.00 0.00 C ATOM 246 CG LEU A 16 19.561 6.239 -5.761 1.00 0.00 C ATOM 247 CD1 LEU A 16 18.947 5.511 -4.575 1.00 0.00 C ATOM 248 CD2 LEU A 16 21.079 6.249 -5.655 1.00 0.00 C ATOM 0 H LEU A 16 18.603 4.766 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 16 18.188 7.245 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.155 5.110 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 16 19.831 4.807 -7.327 1.00 0.00 H new ATOM 0 HG LEU A 16 19.210 7.271 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 16 19.273 5.985 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.860 5.557 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 16 19.268 4.469 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.375 6.713 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 16 21.453 5.226 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.498 6.816 -6.486 1.00 0.00 H new ATOM 260 N ALA A 17 21.173 6.772 -9.306 1.00 0.00 N ATOM 261 CA ALA A 17 22.451 7.416 -9.582 1.00 0.00 C ATOM 262 C ALA A 17 22.361 8.307 -10.817 1.00 0.00 C ATOM 263 O ALA A 17 23.175 9.212 -11.001 1.00 0.00 O ATOM 264 CB ALA A 17 23.541 6.370 -9.762 1.00 0.00 C ATOM 0 H ALA A 17 21.026 5.894 -9.804 1.00 0.00 H new ATOM 0 HA ALA A 17 22.704 8.046 -8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.490 6.865 -9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.631 5.777 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.284 5.717 -10.596 1.00 0.00 H new ATOM 270 N ASP A 18 21.368 8.045 -11.659 1.00 0.00 N ATOM 271 CA ASP A 18 21.172 8.823 -12.876 1.00 0.00 C ATOM 272 C ASP A 18 20.819 10.270 -12.545 1.00 0.00 C ATOM 273 O ASP A 18 19.940 10.532 -11.724 1.00 0.00 O ATOM 274 CB ASP A 18 20.070 8.200 -13.734 1.00 0.00 C ATOM 275 CG ASP A 18 20.603 7.150 -14.689 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.132 6.126 -14.209 1.00 0.00 O ATOM 277 OD2 ASP A 18 20.493 7.353 -15.916 1.00 0.00 O ATOM 0 H ASP A 18 20.686 7.299 -11.521 1.00 0.00 H new ATOM 0 HA ASP A 18 22.106 8.815 -13.437 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.320 7.749 -13.085 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.570 8.984 -14.303 1.00 0.00 H new ATOM 282 N SER A 19 21.511 11.205 -13.189 1.00 0.00 N ATOM 283 CA SER A 19 21.274 12.625 -12.959 1.00 0.00 C ATOM 284 C SER A 19 19.961 13.067 -13.600 1.00 0.00 C ATOM 285 O SER A 19 19.118 13.683 -12.950 1.00 0.00 O ATOM 286 CB SER A 19 22.432 13.454 -13.518 1.00 0.00 C ATOM 287 OG SER A 19 23.597 13.301 -12.726 1.00 0.00 O ATOM 0 H SER A 19 22.240 11.004 -13.874 1.00 0.00 H new ATOM 0 HA SER A 19 21.206 12.788 -11.883 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.642 13.147 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.147 14.506 -13.552 1.00 0.00 H new ATOM 0 HG SER A 19 24.323 13.839 -13.105 1.00 0.00 H new ATOM 293 N ASN A 20 19.797 12.748 -14.879 1.00 0.00 N ATOM 294 CA ASN A 20 18.588 13.112 -15.609 1.00 0.00 C ATOM 295 C ASN A 20 17.498 12.062 -15.415 1.00 0.00 C ATOM 296 O ASN A 20 17.449 11.063 -16.133 1.00 0.00 O ATOM 297 CB ASN A 20 18.896 13.274 -17.099 1.00 0.00 C ATOM 298 CG ASN A 20 19.593 14.586 -17.406 1.00 0.00 C ATOM 299 OD1 ASN A 20 20.770 14.607 -17.766 1.00 0.00 O ATOM 300 ND2 ASN A 20 18.866 15.688 -17.265 1.00 0.00 N ATOM 0 H ASN A 20 20.486 12.238 -15.432 1.00 0.00 H new ATOM 0 HA ASN A 20 18.227 14.062 -15.214 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.523 12.446 -17.430 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.968 13.217 -17.667 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.280 16.600 -17.458 1.00 0.00 H new ATOM 0 HD22 ASN A 20 17.894 15.622 -16.964 1.00 0.00 H new ATOM 307 N PHE A 21 16.627 12.295 -14.440 1.00 0.00 N ATOM 308 CA PHE A 21 15.537 11.370 -14.150 1.00 0.00 C ATOM 309 C PHE A 21 14.236 11.844 -14.792 1.00 0.00 C ATOM 310 O PHE A 21 13.863 13.011 -14.673 1.00 0.00 O ATOM 311 CB PHE A 21 15.351 11.225 -12.639 1.00 0.00 C ATOM 312 CG PHE A 21 14.124 10.447 -12.258 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.825 9.249 -12.887 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.271 10.912 -11.270 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.696 8.531 -12.539 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.141 10.198 -10.918 1.00 0.00 C ATOM 317 CZ PHE A 21 11.854 9.005 -11.553 1.00 0.00 C ATOM 0 H PHE A 21 16.654 13.117 -13.836 1.00 0.00 H new ATOM 0 HA PHE A 21 15.796 10.399 -14.571 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.228 10.733 -12.219 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.296 12.217 -12.191 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.481 8.872 -13.658 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.492 11.843 -10.769 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.473 7.600 -13.038 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.483 10.572 -10.148 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.973 8.444 -11.279 1.00 0.00 H new ATOM 327 N ASP A 22 13.551 10.931 -15.471 1.00 0.00 N ATOM 328 CA ASP A 22 12.292 11.254 -16.131 1.00 0.00 C ATOM 329 C ASP A 22 11.138 10.470 -15.513 1.00 0.00 C ATOM 330 O ASP A 22 11.166 9.240 -15.465 1.00 0.00 O ATOM 331 CB ASP A 22 12.385 10.954 -17.628 1.00 0.00 C ATOM 332 CG ASP A 22 11.588 11.936 -18.465 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.403 12.165 -18.145 1.00 0.00 O ATOM 334 OD2 ASP A 22 12.151 12.476 -19.440 1.00 0.00 O ATOM 0 H ASP A 22 13.847 9.961 -15.579 1.00 0.00 H new ATOM 0 HA ASP A 22 12.100 12.318 -15.993 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.430 10.982 -17.937 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.024 9.943 -17.816 1.00 0.00 H new ATOM 339 N ILE A 23 10.126 11.190 -15.042 1.00 0.00 N ATOM 340 CA ILE A 23 8.963 10.562 -14.428 1.00 0.00 C ATOM 341 C ILE A 23 8.136 9.805 -15.462 1.00 0.00 C ATOM 342 O ILE A 23 7.383 8.892 -15.123 1.00 0.00 O ATOM 343 CB ILE A 23 8.065 11.600 -13.730 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.011 10.900 -12.870 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.401 12.504 -14.759 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.086 11.856 -12.149 1.00 0.00 C ATOM 0 H ILE A 23 10.088 12.209 -15.074 1.00 0.00 H new ATOM 0 HA ILE A 23 9.340 9.861 -13.684 1.00 0.00 H new ATOM 0 HB ILE A 23 8.686 12.216 -13.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.417 10.241 -13.503 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.513 10.270 -12.136 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.770 13.232 -14.250 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.167 13.026 -15.333 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.790 11.902 -15.432 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.365 11.290 -11.559 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.669 12.499 -11.490 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.556 12.469 -12.878 1.00 0.00 H new ATOM 358 N ALA A 24 8.284 10.189 -16.726 1.00 0.00 N ATOM 359 CA ALA A 24 7.554 9.545 -17.810 1.00 0.00 C ATOM 360 C ALA A 24 7.913 8.066 -17.911 1.00 0.00 C ATOM 361 O ALA A 24 7.042 7.217 -18.095 1.00 0.00 O ATOM 362 CB ALA A 24 7.836 10.250 -19.129 1.00 0.00 C ATOM 0 H ALA A 24 8.903 10.943 -17.024 1.00 0.00 H new ATOM 0 HA ALA A 24 6.489 9.619 -17.592 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.284 9.758 -19.930 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.523 11.292 -19.059 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.904 10.206 -19.344 1.00 0.00 H new ATOM 368 N SER A 25 9.202 7.766 -17.790 1.00 0.00 N ATOM 369 CA SER A 25 9.678 6.390 -17.873 1.00 0.00 C ATOM 370 C SER A 25 9.096 5.546 -16.742 1.00 0.00 C ATOM 371 O SER A 25 8.903 4.339 -16.889 1.00 0.00 O ATOM 372 CB SER A 25 11.206 6.351 -17.819 1.00 0.00 C ATOM 373 OG SER A 25 11.770 6.767 -19.050 1.00 0.00 O ATOM 0 H SER A 25 9.936 8.457 -17.634 1.00 0.00 H new ATOM 0 HA SER A 25 9.345 5.973 -18.824 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.561 6.997 -17.016 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.539 5.340 -17.586 1.00 0.00 H new ATOM 0 HG SER A 25 12.748 6.735 -18.989 1.00 0.00 H new ATOM 379 N VAL A 26 8.819 6.191 -15.613 1.00 0.00 N ATOM 380 CA VAL A 26 8.259 5.501 -14.457 1.00 0.00 C ATOM 381 C VAL A 26 6.848 5.001 -14.746 1.00 0.00 C ATOM 382 O VAL A 26 6.531 3.836 -14.510 1.00 0.00 O ATOM 383 CB VAL A 26 8.224 6.418 -13.220 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.641 5.680 -12.024 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.617 6.943 -12.906 1.00 0.00 C ATOM 0 H VAL A 26 8.973 7.190 -15.474 1.00 0.00 H new ATOM 0 HA VAL A 26 8.908 4.650 -14.251 1.00 0.00 H new ATOM 0 HB VAL A 26 7.581 7.270 -13.439 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.624 6.344 -11.160 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.625 5.359 -12.254 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.255 4.808 -11.800 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.573 7.589 -12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.285 6.105 -12.706 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.992 7.511 -13.757 1.00 0.00 H new ATOM 395 N ALA A 27 6.004 5.891 -15.258 1.00 0.00 N ATOM 396 CA ALA A 27 4.627 5.540 -15.582 1.00 0.00 C ATOM 397 C ALA A 27 4.571 4.555 -16.745 1.00 0.00 C ATOM 398 O ALA A 27 3.815 3.584 -16.711 1.00 0.00 O ATOM 399 CB ALA A 27 3.826 6.791 -15.909 1.00 0.00 C ATOM 0 H ALA A 27 6.250 6.861 -15.457 1.00 0.00 H new ATOM 0 HA ALA A 27 4.186 5.058 -14.709 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.800 6.513 -16.149 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.829 7.460 -15.049 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.274 7.297 -16.764 1.00 0.00 H new ATOM 405 N GLN A 28 5.374 4.813 -17.772 1.00 0.00 N ATOM 406 CA GLN A 28 5.413 3.948 -18.946 1.00 0.00 C ATOM 407 C GLN A 28 5.871 2.542 -18.572 1.00 0.00 C ATOM 408 O GLN A 28 5.388 1.554 -19.125 1.00 0.00 O ATOM 409 CB GLN A 28 6.346 4.536 -20.006 1.00 0.00 C ATOM 410 CG GLN A 28 6.506 3.652 -21.233 1.00 0.00 C ATOM 411 CD GLN A 28 7.018 4.414 -22.439 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.210 4.388 -22.745 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.116 5.099 -23.133 1.00 0.00 N ATOM 0 H GLN A 28 6.006 5.613 -17.815 1.00 0.00 H new ATOM 0 HA GLN A 28 4.404 3.885 -19.354 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.963 5.508 -20.316 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.326 4.707 -19.561 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.194 2.839 -21.003 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.546 3.197 -21.476 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.138 5.093 -22.844 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.402 5.631 -23.955 1.00 0.00 H new ATOM 422 N HIS A 29 6.805 2.460 -17.629 1.00 0.00 N ATOM 423 CA HIS A 29 7.327 1.175 -17.181 1.00 0.00 C ATOM 424 C HIS A 29 6.203 0.282 -16.663 1.00 0.00 C ATOM 425 O HIS A 29 6.239 -0.937 -16.827 1.00 0.00 O ATOM 426 CB HIS A 29 8.376 1.380 -16.087 1.00 0.00 C ATOM 427 CG HIS A 29 8.724 0.125 -15.347 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.937 -1.084 -15.975 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.896 -0.104 -14.025 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.225 -2.003 -15.070 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.207 -1.434 -13.879 1.00 0.00 N ATOM 0 H HIS A 29 7.215 3.268 -17.161 1.00 0.00 H new ATOM 0 HA HIS A 29 7.794 0.683 -18.034 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.281 1.790 -16.535 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.008 2.120 -15.377 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.806 0.623 -13.232 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.439 -3.042 -15.271 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.394 -1.905 -12.994 1.00 0.00 H new ATOM 439 N VAL A 30 5.206 0.898 -16.036 1.00 0.00 N ATOM 440 CA VAL A 30 4.071 0.160 -15.494 1.00 0.00 C ATOM 441 C VAL A 30 2.878 0.215 -16.441 1.00 0.00 C ATOM 442 O VAL A 30 1.741 -0.033 -16.038 1.00 0.00 O ATOM 443 CB VAL A 30 3.648 0.710 -14.119 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.700 0.389 -13.069 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.402 2.209 -14.199 1.00 0.00 C ATOM 0 H VAL A 30 5.161 1.907 -15.891 1.00 0.00 H new ATOM 0 HA VAL A 30 4.392 -0.875 -15.379 1.00 0.00 H new ATOM 0 HB VAL A 30 2.716 0.227 -13.824 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.384 0.785 -12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.822 -0.692 -12.995 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.649 0.843 -13.354 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.104 2.582 -13.219 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.316 2.711 -14.516 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.609 2.410 -14.920 1.00 0.00 H new ATOM 455 N CYS A 31 3.143 0.541 -17.701 1.00 0.00 N ATOM 456 CA CYS A 31 2.090 0.630 -18.706 1.00 0.00 C ATOM 457 C CYS A 31 0.948 1.516 -18.220 1.00 0.00 C ATOM 458 O CYS A 31 -0.223 1.233 -18.477 1.00 0.00 O ATOM 459 CB CYS A 31 1.562 -0.765 -19.045 1.00 0.00 C ATOM 460 SG CYS A 31 0.876 -0.910 -20.712 1.00 0.00 S ATOM 0 H CYS A 31 4.078 0.748 -18.051 1.00 0.00 H new ATOM 0 HA CYS A 31 2.515 1.078 -19.604 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.372 -1.485 -18.933 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.792 -1.036 -18.322 1.00 0.00 H new ATOM 0 HG CYS A 31 0.458 -2.126 -20.905 1.00 0.00 H new ATOM 466 N LEU A 32 1.295 2.587 -17.516 1.00 0.00 N ATOM 467 CA LEU A 32 0.299 3.515 -16.992 1.00 0.00 C ATOM 468 C LEU A 32 0.744 4.960 -17.188 1.00 0.00 C ATOM 469 O LEU A 32 1.919 5.230 -17.438 1.00 0.00 O ATOM 470 CB LEU A 32 0.051 3.242 -15.508 1.00 0.00 C ATOM 471 CG LEU A 32 -1.358 2.777 -15.137 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.474 2.570 -13.635 1.00 0.00 C ATOM 473 CD2 LEU A 32 -2.396 3.779 -15.621 1.00 0.00 C ATOM 0 H LEU A 32 2.259 2.835 -17.294 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.629 3.363 -17.543 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.761 2.485 -15.175 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.270 4.152 -14.950 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.546 1.823 -15.630 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.483 2.239 -13.390 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.757 1.814 -13.315 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.265 3.508 -13.121 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.392 3.431 -15.348 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.210 4.748 -15.158 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.330 3.877 -16.705 1.00 0.00 H new ATOM 485 N SER A 33 -0.202 5.887 -17.072 1.00 0.00 N ATOM 486 CA SER A 33 0.092 7.305 -17.238 1.00 0.00 C ATOM 487 C SER A 33 0.785 7.865 -15.999 1.00 0.00 C ATOM 488 O SER A 33 0.703 7.306 -14.905 1.00 0.00 O ATOM 489 CB SER A 33 -1.194 8.086 -17.513 1.00 0.00 C ATOM 490 OG SER A 33 -1.484 8.118 -18.900 1.00 0.00 O ATOM 0 H SER A 33 -1.179 5.681 -16.864 1.00 0.00 H new ATOM 0 HA SER A 33 0.764 7.414 -18.090 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.024 7.627 -16.975 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.093 9.104 -17.136 1.00 0.00 H new ATOM 0 HG SER A 33 -2.311 8.621 -19.050 1.00 0.00 H new ATOM 496 N PRO A 34 1.484 8.996 -16.173 1.00 0.00 N ATOM 497 CA PRO A 34 2.204 9.657 -15.081 1.00 0.00 C ATOM 498 C PRO A 34 1.261 10.283 -14.059 1.00 0.00 C ATOM 499 O PRO A 34 1.511 10.229 -12.855 1.00 0.00 O ATOM 500 CB PRO A 34 3.013 10.743 -15.796 1.00 0.00 C ATOM 501 CG PRO A 34 2.251 11.023 -17.045 1.00 0.00 C ATOM 502 CD PRO A 34 1.625 9.717 -17.449 1.00 0.00 C ATOM 0 HA PRO A 34 2.814 8.955 -14.512 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.106 11.637 -15.180 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.024 10.402 -16.017 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.490 11.785 -16.875 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.909 11.399 -17.828 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.661 9.867 -17.934 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.254 9.171 -18.152 1.00 0.00 H new ATOM 510 N SER A 35 0.176 10.875 -14.547 1.00 0.00 N ATOM 511 CA SER A 35 -0.804 11.513 -13.676 1.00 0.00 C ATOM 512 C SER A 35 -1.534 10.476 -12.827 1.00 0.00 C ATOM 513 O SER A 35 -1.689 10.646 -11.618 1.00 0.00 O ATOM 514 CB SER A 35 -1.812 12.311 -14.505 1.00 0.00 C ATOM 515 OG SER A 35 -2.519 11.468 -15.398 1.00 0.00 O ATOM 0 H SER A 35 -0.047 10.926 -15.541 1.00 0.00 H new ATOM 0 HA SER A 35 -0.273 12.193 -13.010 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.515 12.815 -13.842 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.292 13.087 -15.067 1.00 0.00 H new ATOM 0 HG SER A 35 -3.158 12.002 -15.915 1.00 0.00 H new ATOM 521 N ARG A 36 -1.980 9.403 -13.471 1.00 0.00 N ATOM 522 CA ARG A 36 -2.695 8.338 -12.777 1.00 0.00 C ATOM 523 C ARG A 36 -1.771 7.605 -11.809 1.00 0.00 C ATOM 524 O ARG A 36 -2.164 7.275 -10.689 1.00 0.00 O ATOM 525 CB ARG A 36 -3.284 7.350 -13.785 1.00 0.00 C ATOM 526 CG ARG A 36 -4.601 6.736 -13.337 1.00 0.00 C ATOM 527 CD ARG A 36 -5.790 7.519 -13.871 1.00 0.00 C ATOM 528 NE ARG A 36 -6.189 8.594 -12.966 1.00 0.00 N ATOM 529 CZ ARG A 36 -5.721 9.835 -13.047 1.00 0.00 C ATOM 530 NH1 ARG A 36 -4.843 10.156 -13.988 1.00 0.00 N ATOM 531 NH2 ARG A 36 -6.132 10.757 -12.186 1.00 0.00 N ATOM 0 H ARG A 36 -1.859 9.248 -14.472 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.506 8.790 -12.206 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.436 7.861 -14.736 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.563 6.552 -13.963 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.659 5.704 -13.682 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.640 6.710 -12.248 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.539 7.939 -14.845 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.631 6.842 -14.023 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.864 8.380 -12.232 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.526 9.449 -14.652 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.485 11.109 -14.048 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.807 10.513 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.773 11.709 -12.248 1.00 0.00 H new ATOM 545 N LEU A 37 -0.543 7.352 -12.248 1.00 0.00 N ATOM 546 CA LEU A 37 0.437 6.657 -11.421 1.00 0.00 C ATOM 547 C LEU A 37 0.879 7.530 -10.250 1.00 0.00 C ATOM 548 O LEU A 37 0.972 7.063 -9.115 1.00 0.00 O ATOM 549 CB LEU A 37 1.651 6.257 -12.261 1.00 0.00 C ATOM 550 CG LEU A 37 2.821 5.637 -11.497 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.586 4.151 -11.274 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.127 5.866 -12.244 1.00 0.00 C ATOM 0 H LEU A 37 -0.202 7.618 -13.172 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.033 5.758 -11.022 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.324 5.548 -13.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.013 7.142 -12.784 1.00 0.00 H new ATOM 0 HG LEU A 37 2.892 6.123 -10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.429 3.727 -10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.672 4.010 -10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.488 3.650 -12.237 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.949 5.418 -11.686 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.067 5.408 -13.231 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.302 6.937 -12.351 1.00 0.00 H new ATOM 564 N SER A 38 1.148 8.800 -10.535 1.00 0.00 N ATOM 565 CA SER A 38 1.581 9.738 -9.506 1.00 0.00 C ATOM 566 C SER A 38 0.529 9.866 -8.409 1.00 0.00 C ATOM 567 O SER A 38 0.856 9.936 -7.224 1.00 0.00 O ATOM 568 CB SER A 38 1.861 11.110 -10.123 1.00 0.00 C ATOM 569 OG SER A 38 2.384 12.006 -9.158 1.00 0.00 O ATOM 0 H SER A 38 1.074 9.203 -11.469 1.00 0.00 H new ATOM 0 HA SER A 38 2.499 9.353 -9.061 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.567 11.005 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.941 11.518 -10.542 1.00 0.00 H new ATOM 0 HG SER A 38 2.556 12.875 -9.578 1.00 0.00 H new ATOM 575 N HIS A 39 -0.737 9.896 -8.813 1.00 0.00 N ATOM 576 CA HIS A 39 -1.839 10.015 -7.865 1.00 0.00 C ATOM 577 C HIS A 39 -1.834 8.852 -6.877 1.00 0.00 C ATOM 578 O HIS A 39 -1.931 9.052 -5.666 1.00 0.00 O ATOM 579 CB HIS A 39 -3.175 10.063 -8.607 1.00 0.00 C ATOM 580 CG HIS A 39 -4.362 10.156 -7.698 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.953 9.222 -6.916 1.00 0.00 N flip ATOM 582 CD2 HIS A 39 -5.084 11.317 -7.519 1.00 0.00 C flip ATOM 583 CE1 HIS A 39 -6.010 9.830 -6.285 1.00 0.00 C flip ATOM 584 NE2 HIS A 39 -6.067 11.094 -6.665 1.00 0.00 N flip ATOM 0 H HIS A 39 -1.025 9.840 -9.790 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.708 10.943 -7.308 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.176 10.919 -9.281 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.270 9.170 -9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.878 12.261 -8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.685 9.352 -5.591 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.753 11.781 -6.352 1.00 0.00 H new ATOM 592 N LEU A 40 -1.721 7.637 -7.403 1.00 0.00 N ATOM 593 CA LEU A 40 -1.704 6.441 -6.567 1.00 0.00 C ATOM 594 C LEU A 40 -0.391 6.331 -5.801 1.00 0.00 C ATOM 595 O LEU A 40 -0.352 5.810 -4.685 1.00 0.00 O ATOM 596 CB LEU A 40 -1.913 5.192 -7.426 1.00 0.00 C ATOM 597 CG LEU A 40 -3.284 4.525 -7.318 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.518 3.592 -8.496 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.407 3.768 -6.003 1.00 0.00 C ATOM 0 H LEU A 40 -1.640 7.454 -8.403 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.518 6.520 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.743 5.460 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.152 4.459 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.048 5.303 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.499 3.126 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.474 4.161 -9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.749 2.819 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.389 3.300 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.635 3.000 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.285 4.462 -5.171 1.00 0.00 H new ATOM 611 N PHE A 41 0.684 6.826 -6.405 1.00 0.00 N ATOM 612 CA PHE A 41 2.001 6.785 -5.778 1.00 0.00 C ATOM 613 C PHE A 41 1.993 7.530 -4.446 1.00 0.00 C ATOM 614 O PHE A 41 2.438 7.004 -3.426 1.00 0.00 O ATOM 615 CB PHE A 41 3.051 7.393 -6.709 1.00 0.00 C ATOM 616 CG PHE A 41 4.335 6.614 -6.755 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.352 6.874 -5.851 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.524 5.620 -7.702 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.534 6.159 -5.891 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.703 4.901 -7.746 1.00 0.00 C ATOM 621 CZ PHE A 41 6.710 5.172 -6.840 1.00 0.00 C ATOM 0 H PHE A 41 0.670 7.260 -7.328 1.00 0.00 H new ATOM 0 HA PHE A 41 2.254 5.742 -5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.638 7.458 -7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.265 8.412 -6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.220 7.645 -5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.741 5.405 -8.414 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.319 6.372 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.837 4.128 -8.488 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.633 4.613 -6.874 1.00 0.00 H new ATOM 631 N ARG A 42 1.484 8.757 -4.465 1.00 0.00 N ATOM 632 CA ARG A 42 1.419 9.576 -3.260 1.00 0.00 C ATOM 633 C ARG A 42 0.416 9.001 -2.265 1.00 0.00 C ATOM 634 O ARG A 42 0.527 9.222 -1.060 1.00 0.00 O ATOM 635 CB ARG A 42 1.035 11.014 -3.615 1.00 0.00 C ATOM 636 CG ARG A 42 0.953 11.937 -2.410 1.00 0.00 C ATOM 637 CD ARG A 42 1.179 13.388 -2.804 1.00 0.00 C ATOM 638 NE ARG A 42 1.101 14.286 -1.655 1.00 0.00 N ATOM 639 CZ ARG A 42 1.480 15.559 -1.690 1.00 0.00 C ATOM 640 NH1 ARG A 42 1.959 16.081 -2.810 1.00 0.00 N ATOM 641 NH2 ARG A 42 1.378 16.312 -0.602 1.00 0.00 N ATOM 0 H ARG A 42 1.111 9.206 -5.301 1.00 0.00 H new ATOM 0 HA ARG A 42 2.406 9.575 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.765 11.413 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.071 11.009 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.024 11.835 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.697 11.639 -1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.157 13.487 -3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.436 13.682 -3.545 1.00 0.00 H new ATOM 0 HE ARG A 42 0.736 13.916 -0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.038 15.505 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.249 17.059 -2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.009 15.914 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.669 17.289 -0.629 1.00 0.00 H new ATOM 655 N GLN A 43 -0.563 8.262 -2.779 1.00 0.00 N ATOM 656 CA GLN A 43 -1.586 7.657 -1.935 1.00 0.00 C ATOM 657 C GLN A 43 -1.050 6.408 -1.241 1.00 0.00 C ATOM 658 O GLN A 43 -1.325 6.176 -0.065 1.00 0.00 O ATOM 659 CB GLN A 43 -2.819 7.302 -2.768 1.00 0.00 C ATOM 660 CG GLN A 43 -3.674 8.506 -3.131 1.00 0.00 C ATOM 661 CD GLN A 43 -4.373 9.109 -1.928 1.00 0.00 C ATOM 662 OE1 GLN A 43 -5.362 8.568 -1.434 1.00 0.00 O ATOM 663 NE2 GLN A 43 -3.861 10.238 -1.450 1.00 0.00 N ATOM 0 H GLN A 43 -0.669 8.068 -3.775 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.868 8.382 -1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.498 6.805 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -3.428 6.588 -2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.047 9.264 -3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.420 8.208 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.040 10.652 -1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.289 10.690 -0.642 1.00 0.00 H new ATOM 672 N GLN A 44 -0.286 5.609 -1.979 1.00 0.00 N ATOM 673 CA GLN A 44 0.287 4.384 -1.434 1.00 0.00 C ATOM 674 C GLN A 44 1.550 4.683 -0.633 1.00 0.00 C ATOM 675 O GLN A 44 1.788 4.084 0.417 1.00 0.00 O ATOM 676 CB GLN A 44 0.604 3.399 -2.560 1.00 0.00 C ATOM 677 CG GLN A 44 -0.614 2.996 -3.377 1.00 0.00 C ATOM 678 CD GLN A 44 -0.634 1.516 -3.702 1.00 0.00 C ATOM 679 OE1 GLN A 44 0.069 1.056 -4.603 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.443 0.760 -2.969 1.00 0.00 N ATOM 0 H GLN A 44 -0.050 5.788 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.448 3.936 -0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.345 3.845 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.056 2.504 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.518 3.256 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.630 3.568 -4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.008 1.183 -2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.500 -0.244 -3.143 1.00 0.00 H new ATOM 689 N LEU A 45 2.356 5.612 -1.135 1.00 0.00 N ATOM 690 CA LEU A 45 3.596 5.990 -0.466 1.00 0.00 C ATOM 691 C LEU A 45 3.351 7.106 0.545 1.00 0.00 C ATOM 692 O LEU A 45 4.176 7.354 1.423 1.00 0.00 O ATOM 693 CB LEU A 45 4.637 6.438 -1.494 1.00 0.00 C ATOM 694 CG LEU A 45 6.011 5.776 -1.390 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.749 5.868 -2.716 1.00 0.00 C ATOM 696 CD2 LEU A 45 6.829 6.415 -0.277 1.00 0.00 C ATOM 0 H LEU A 45 2.173 6.117 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 45 3.973 5.117 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.239 6.248 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.768 7.516 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 45 5.868 4.723 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.725 5.392 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.171 5.363 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.881 6.915 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.804 5.931 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.963 7.476 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.307 6.296 0.672 1.00 0.00 H new ATOM 708 N GLY A 46 2.209 7.774 0.416 1.00 0.00 N ATOM 709 CA GLY A 46 1.874 8.854 1.327 1.00 0.00 C ATOM 710 C GLY A 46 2.782 10.056 1.159 1.00 0.00 C ATOM 711 O GLY A 46 2.733 10.995 1.955 1.00 0.00 O ATOM 0 H GLY A 46 1.510 7.587 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.840 9.157 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.940 8.493 2.353 1.00 0.00 H new ATOM 715 N ILE A 47 3.614 10.027 0.124 1.00 0.00 N ATOM 716 CA ILE A 47 4.537 11.123 -0.144 1.00 0.00 C ATOM 717 C ILE A 47 4.811 11.257 -1.638 1.00 0.00 C ATOM 718 O ILE A 47 4.387 10.421 -2.436 1.00 0.00 O ATOM 719 CB ILE A 47 5.873 10.927 0.596 1.00 0.00 C ATOM 720 CG1 ILE A 47 6.624 9.721 0.028 1.00 0.00 C ATOM 721 CG2 ILE A 47 5.632 10.753 2.088 1.00 0.00 C ATOM 722 CD1 ILE A 47 7.950 9.460 0.708 1.00 0.00 C ATOM 0 H ILE A 47 3.668 9.257 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 47 4.060 12.034 0.219 1.00 0.00 H new ATOM 0 HB ILE A 47 6.487 11.816 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.996 8.835 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.796 9.879 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.586 10.616 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.135 11.639 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.002 9.879 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.427 8.591 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.596 10.330 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.784 9.270 1.768 1.00 0.00 H new ATOM 734 N SER A 48 5.525 12.315 -2.011 1.00 0.00 N ATOM 735 CA SER A 48 5.855 12.561 -3.410 1.00 0.00 C ATOM 736 C SER A 48 6.993 11.653 -3.867 1.00 0.00 C ATOM 737 O SER A 48 7.878 11.306 -3.085 1.00 0.00 O ATOM 738 CB SER A 48 6.244 14.026 -3.614 1.00 0.00 C ATOM 739 OG SER A 48 5.251 14.894 -3.094 1.00 0.00 O ATOM 0 H SER A 48 5.886 13.016 -1.363 1.00 0.00 H new ATOM 0 HA SER A 48 4.973 12.340 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.197 14.224 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.384 14.224 -4.677 1.00 0.00 H new ATOM 0 HG SER A 48 5.524 15.825 -3.235 1.00 0.00 H new ATOM 745 N VAL A 49 6.962 11.271 -5.140 1.00 0.00 N ATOM 746 CA VAL A 49 7.990 10.405 -5.704 1.00 0.00 C ATOM 747 C VAL A 49 9.382 10.980 -5.469 1.00 0.00 C ATOM 748 O VAL A 49 10.305 10.263 -5.079 1.00 0.00 O ATOM 749 CB VAL A 49 7.781 10.195 -7.215 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.769 9.172 -7.755 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.349 9.768 -7.500 1.00 0.00 C ATOM 0 H VAL A 49 6.236 11.548 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 49 7.907 9.444 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 49 7.962 11.142 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.605 9.037 -8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.787 9.524 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.624 8.221 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.219 9.624 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.138 8.834 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.663 10.540 -7.152 1.00 0.00 H new ATOM 761 N LEU A 50 9.528 12.278 -5.710 1.00 0.00 N ATOM 762 CA LEU A 50 10.809 12.951 -5.524 1.00 0.00 C ATOM 763 C LEU A 50 11.255 12.881 -4.068 1.00 0.00 C ATOM 764 O LEU A 50 12.449 12.803 -3.777 1.00 0.00 O ATOM 765 CB LEU A 50 10.709 14.411 -5.969 1.00 0.00 C ATOM 766 CG LEU A 50 11.037 14.690 -7.437 1.00 0.00 C ATOM 767 CD1 LEU A 50 9.961 14.113 -8.343 1.00 0.00 C ATOM 768 CD2 LEU A 50 11.192 16.185 -7.674 1.00 0.00 C ATOM 0 H LEU A 50 8.776 12.885 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 50 11.552 12.440 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.696 14.762 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.379 15.006 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 50 11.983 14.205 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.211 14.321 -9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.899 13.035 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.000 14.569 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.425 16.365 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.262 16.692 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.000 16.570 -7.052 1.00 0.00 H new ATOM 780 N SER A 51 10.288 12.907 -3.156 1.00 0.00 N ATOM 781 CA SER A 51 10.582 12.848 -1.729 1.00 0.00 C ATOM 782 C SER A 51 11.024 11.445 -1.323 1.00 0.00 C ATOM 783 O SER A 51 11.983 11.279 -0.569 1.00 0.00 O ATOM 784 CB SER A 51 9.353 13.263 -0.917 1.00 0.00 C ATOM 785 OG SER A 51 9.476 12.859 0.436 1.00 0.00 O ATOM 0 H SER A 51 9.295 12.969 -3.380 1.00 0.00 H new ATOM 0 HA SER A 51 11.397 13.541 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.228 14.345 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.458 12.819 -1.353 1.00 0.00 H new ATOM 0 HG SER A 51 8.679 13.137 0.934 1.00 0.00 H new ATOM 791 N TRP A 52 10.318 10.440 -1.827 1.00 0.00 N ATOM 792 CA TRP A 52 10.636 9.051 -1.518 1.00 0.00 C ATOM 793 C TRP A 52 12.063 8.714 -1.936 1.00 0.00 C ATOM 794 O TRP A 52 12.782 8.018 -1.218 1.00 0.00 O ATOM 795 CB TRP A 52 9.651 8.112 -2.216 1.00 0.00 C ATOM 796 CG TRP A 52 10.039 6.668 -2.123 1.00 0.00 C ATOM 797 CD1 TRP A 52 9.932 5.859 -1.028 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.599 5.862 -3.166 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.391 4.599 -1.327 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.805 4.575 -2.633 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.944 6.102 -4.499 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.341 3.534 -3.386 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.476 5.068 -5.245 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.670 3.797 -4.688 1.00 0.00 C ATOM 0 H TRP A 52 9.521 10.561 -2.452 1.00 0.00 H new ATOM 0 HA TRP A 52 10.552 8.916 -0.440 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.662 8.244 -1.778 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.574 8.393 -3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.544 6.165 -0.068 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.419 3.810 -0.682 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.797 7.078 -4.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.492 2.554 -2.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.747 5.242 -6.276 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.087 3.010 -5.298 1.00 0.00 H new ATOM 815 N ARG A 53 12.467 9.211 -3.100 1.00 0.00 N ATOM 816 CA ARG A 53 13.809 8.960 -3.613 1.00 0.00 C ATOM 817 C ARG A 53 14.866 9.521 -2.667 1.00 0.00 C ATOM 818 O ARG A 53 15.845 8.848 -2.346 1.00 0.00 O ATOM 819 CB ARG A 53 13.971 9.582 -5.002 1.00 0.00 C ATOM 820 CG ARG A 53 15.207 9.101 -5.744 1.00 0.00 C ATOM 821 CD ARG A 53 15.133 7.611 -6.043 1.00 0.00 C ATOM 822 NE ARG A 53 15.721 6.809 -4.973 1.00 0.00 N ATOM 823 CZ ARG A 53 15.448 5.523 -4.784 1.00 0.00 C ATOM 824 NH1 ARG A 53 14.600 4.897 -5.589 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.023 4.860 -3.789 1.00 0.00 N ATOM 0 H ARG A 53 11.885 9.790 -3.706 1.00 0.00 H new ATOM 0 HA ARG A 53 13.947 7.881 -3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.088 9.354 -5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.017 10.666 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.312 9.656 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.095 9.310 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.092 7.321 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.651 7.403 -6.979 1.00 0.00 H new ATOM 0 HE ARG A 53 16.377 7.261 -4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.156 5.403 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.392 3.909 -5.442 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.676 5.338 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.812 3.872 -3.645 1.00 0.00 H new ATOM 839 N GLU A 54 14.661 10.758 -2.225 1.00 0.00 N ATOM 840 CA GLU A 54 15.598 11.409 -1.317 1.00 0.00 C ATOM 841 C GLU A 54 15.684 10.656 0.008 1.00 0.00 C ATOM 842 O GLU A 54 16.775 10.398 0.517 1.00 0.00 O ATOM 843 CB GLU A 54 15.176 12.858 -1.065 1.00 0.00 C ATOM 844 CG GLU A 54 16.286 13.725 -0.496 1.00 0.00 C ATOM 845 CD GLU A 54 15.946 15.203 -0.527 1.00 0.00 C ATOM 846 OE1 GLU A 54 14.933 15.566 -1.160 1.00 0.00 O ATOM 847 OE2 GLU A 54 16.695 15.996 0.081 1.00 0.00 O ATOM 0 H GLU A 54 13.855 11.329 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 54 16.582 11.401 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.829 13.295 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.331 12.867 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.486 13.424 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.202 13.555 -1.062 1.00 0.00 H new ATOM 854 N ASP A 55 14.527 10.307 0.559 1.00 0.00 N ATOM 855 CA ASP A 55 14.471 9.583 1.824 1.00 0.00 C ATOM 856 C ASP A 55 15.239 8.268 1.732 1.00 0.00 C ATOM 857 O ASP A 55 15.955 7.892 2.660 1.00 0.00 O ATOM 858 CB ASP A 55 13.018 9.312 2.216 1.00 0.00 C ATOM 859 CG ASP A 55 12.821 9.274 3.719 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.076 10.305 4.377 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.414 8.214 4.238 1.00 0.00 O ATOM 0 H ASP A 55 13.616 10.513 0.150 1.00 0.00 H new ATOM 0 HA ASP A 55 14.937 10.203 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.379 10.085 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.700 8.362 1.787 1.00 0.00 H new ATOM 866 N GLN A 56 15.084 7.575 0.609 1.00 0.00 N ATOM 867 CA GLN A 56 15.763 6.302 0.398 1.00 0.00 C ATOM 868 C GLN A 56 17.263 6.507 0.219 1.00 0.00 C ATOM 869 O GLN A 56 18.071 5.711 0.699 1.00 0.00 O ATOM 870 CB GLN A 56 15.184 5.588 -0.825 1.00 0.00 C ATOM 871 CG GLN A 56 13.725 5.191 -0.664 1.00 0.00 C ATOM 872 CD GLN A 56 13.551 3.928 0.156 1.00 0.00 C ATOM 873 OE1 GLN A 56 14.051 2.864 -0.208 1.00 0.00 O ATOM 874 NE2 GLN A 56 12.839 4.040 1.271 1.00 0.00 N ATOM 0 H GLN A 56 14.495 7.873 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 56 15.603 5.683 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.281 6.238 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.775 4.695 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.181 6.007 -0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.282 5.044 -1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.443 4.942 1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.688 3.224 1.864 1.00 0.00 H new ATOM 883 N ARG A 57 17.630 7.580 -0.475 1.00 0.00 N ATOM 884 CA ARG A 57 19.033 7.889 -0.719 1.00 0.00 C ATOM 885 C ARG A 57 19.793 8.042 0.595 1.00 0.00 C ATOM 886 O ARG A 57 20.925 7.576 0.726 1.00 0.00 O ATOM 887 CB ARG A 57 19.159 9.171 -1.545 1.00 0.00 C ATOM 888 CG ARG A 57 18.872 8.973 -3.025 1.00 0.00 C ATOM 889 CD ARG A 57 18.311 10.236 -3.658 1.00 0.00 C ATOM 890 NE ARG A 57 19.078 11.422 -3.285 1.00 0.00 N ATOM 891 CZ ARG A 57 18.633 12.664 -3.439 1.00 0.00 C ATOM 892 NH1 ARG A 57 17.431 12.881 -3.957 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.389 13.691 -3.076 1.00 0.00 N ATOM 0 H ARG A 57 16.974 8.250 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 57 19.469 7.060 -1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.472 9.918 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.167 9.570 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 57 19.789 8.684 -3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.163 8.155 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.313 10.129 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 57 17.273 10.365 -3.352 1.00 0.00 H new ATOM 0 HE ARG A 57 20.006 11.289 -2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 57 16.847 12.093 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.091 13.835 -4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 57 20.314 13.528 -2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.046 14.644 -3.195 1.00 0.00 H new ATOM 907 N ILE A 58 19.163 8.697 1.564 1.00 0.00 N ATOM 908 CA ILE A 58 19.779 8.910 2.868 1.00 0.00 C ATOM 909 C ILE A 58 19.852 7.610 3.660 1.00 0.00 C ATOM 910 O ILE A 58 20.883 7.289 4.252 1.00 0.00 O ATOM 911 CB ILE A 58 19.006 9.958 3.691 1.00 0.00 C ATOM 912 CG1 ILE A 58 18.919 11.279 2.924 1.00 0.00 C ATOM 913 CG2 ILE A 58 19.673 10.166 5.042 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.269 11.864 2.574 1.00 0.00 C ATOM 0 H ILE A 58 18.226 9.090 1.471 1.00 0.00 H new ATOM 0 HA ILE A 58 20.789 9.277 2.684 1.00 0.00 H new ATOM 0 HB ILE A 58 17.993 9.591 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.352 11.121 2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.363 12.001 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.116 10.909 5.612 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.687 9.224 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.695 10.514 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.131 12.799 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.831 12.055 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.820 11.160 1.950 1.00 0.00 H new ATOM 926 N SER A 59 18.752 6.864 3.666 1.00 0.00 N ATOM 927 CA SER A 59 18.691 5.598 4.388 1.00 0.00 C ATOM 928 C SER A 59 19.693 4.599 3.818 1.00 0.00 C ATOM 929 O SER A 59 20.308 3.831 4.558 1.00 0.00 O ATOM 930 CB SER A 59 17.278 5.016 4.319 1.00 0.00 C ATOM 931 OG SER A 59 17.284 3.627 4.603 1.00 0.00 O ATOM 0 H SER A 59 17.891 7.114 3.179 1.00 0.00 H new ATOM 0 HA SER A 59 18.948 5.789 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.633 5.533 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.859 5.186 3.327 1.00 0.00 H new ATOM 0 HG SER A 59 16.369 3.279 4.554 1.00 0.00 H new ATOM 937 N GLN A 60 19.851 4.616 2.499 1.00 0.00 N ATOM 938 CA GLN A 60 20.778 3.710 1.829 1.00 0.00 C ATOM 939 C GLN A 60 22.224 4.111 2.102 1.00 0.00 C ATOM 940 O GLN A 60 23.069 3.265 2.388 1.00 0.00 O ATOM 941 CB GLN A 60 20.515 3.700 0.322 1.00 0.00 C ATOM 942 CG GLN A 60 20.746 2.345 -0.327 1.00 0.00 C ATOM 943 CD GLN A 60 19.714 1.315 0.090 1.00 0.00 C ATOM 944 OE1 GLN A 60 18.574 1.338 -0.375 1.00 0.00 O ATOM 945 NE2 GLN A 60 20.109 0.404 0.972 1.00 0.00 N ATOM 0 H GLN A 60 19.350 5.246 1.873 1.00 0.00 H new ATOM 0 HA GLN A 60 20.617 2.707 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.486 4.010 0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.160 4.437 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.725 2.457 -1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.740 1.985 -0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.063 0.422 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.458 -0.314 1.290 1.00 0.00 H new ATOM 954 N ALA A 61 22.500 5.408 2.012 1.00 0.00 N ATOM 955 CA ALA A 61 23.843 5.922 2.251 1.00 0.00 C ATOM 956 C ALA A 61 24.340 5.534 3.640 1.00 0.00 C ATOM 957 O ALA A 61 25.471 5.075 3.801 1.00 0.00 O ATOM 958 CB ALA A 61 23.868 7.434 2.083 1.00 0.00 C ATOM 0 H ALA A 61 21.811 6.122 1.775 1.00 0.00 H new ATOM 0 HA ALA A 61 24.512 5.475 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 61 24.877 7.804 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.564 7.692 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.181 7.891 2.795 1.00 0.00 H new ATOM 964 N LYS A 62 23.487 5.722 4.642 1.00 0.00 N ATOM 965 CA LYS A 62 23.838 5.391 6.018 1.00 0.00 C ATOM 966 C LYS A 62 23.976 3.883 6.197 1.00 0.00 C ATOM 967 O LYS A 62 24.793 3.414 6.991 1.00 0.00 O ATOM 968 CB LYS A 62 22.781 5.936 6.980 1.00 0.00 C ATOM 969 CG LYS A 62 21.405 5.323 6.782 1.00 0.00 C ATOM 970 CD LYS A 62 20.426 5.794 7.845 1.00 0.00 C ATOM 971 CE LYS A 62 19.879 7.177 7.525 1.00 0.00 C ATOM 972 NZ LYS A 62 20.588 8.243 8.285 1.00 0.00 N ATOM 0 H LYS A 62 22.547 6.102 4.526 1.00 0.00 H new ATOM 0 HA LYS A 62 24.799 5.854 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.106 5.755 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.710 7.016 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.026 5.588 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.482 4.236 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.602 5.085 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.922 5.813 8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.976 7.367 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.815 7.210 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.959 9.063 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.861 7.880 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.440 8.532 7.764 1.00 0.00 H new ATOM 986 N LEU A 63 23.174 3.128 5.454 1.00 0.00 N ATOM 987 CA LEU A 63 23.207 1.671 5.530 1.00 0.00 C ATOM 988 C LEU A 63 24.581 1.137 5.139 1.00 0.00 C ATOM 989 O LEU A 63 25.168 0.321 5.851 1.00 0.00 O ATOM 990 CB LEU A 63 22.135 1.069 4.621 1.00 0.00 C ATOM 991 CG LEU A 63 21.603 -0.305 5.030 1.00 0.00 C ATOM 992 CD1 LEU A 63 22.715 -1.341 4.992 1.00 0.00 C ATOM 993 CD2 LEU A 63 20.976 -0.243 6.415 1.00 0.00 C ATOM 0 H LEU A 63 22.493 3.500 4.792 1.00 0.00 H new ATOM 0 HA LEU A 63 23.005 1.380 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.295 1.762 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.542 0.993 3.613 1.00 0.00 H new ATOM 0 HG LEU A 63 20.833 -0.602 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 63 22.317 -2.312 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 63 23.118 -1.405 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 63 23.508 -1.050 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 63 20.603 -1.230 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 63 21.725 0.076 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 63 20.150 0.469 6.409 1.00 0.00 H new ATOM 1005 N LEU A 64 25.091 1.604 4.004 1.00 0.00 N ATOM 1006 CA LEU A 64 26.398 1.175 3.519 1.00 0.00 C ATOM 1007 C LEU A 64 27.514 1.726 4.400 1.00 0.00 C ATOM 1008 O LEU A 64 28.497 1.038 4.678 1.00 0.00 O ATOM 1009 CB LEU A 64 26.602 1.632 2.073 1.00 0.00 C ATOM 1010 CG LEU A 64 25.442 1.361 1.114 1.00 0.00 C ATOM 1011 CD1 LEU A 64 25.052 2.632 0.376 1.00 0.00 C ATOM 1012 CD2 LEU A 64 25.812 0.262 0.128 1.00 0.00 C ATOM 0 H LEU A 64 24.619 2.280 3.403 1.00 0.00 H new ATOM 0 HA LEU A 64 26.433 0.086 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.802 2.704 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 64 27.494 1.143 1.681 1.00 0.00 H new ATOM 0 HG LEU A 64 24.584 1.026 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.225 2.420 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.746 3.391 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 64 25.905 2.997 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 64 24.975 0.082 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.684 0.569 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 64 26.042 -0.653 0.673 1.00 0.00 H new ATOM 1024 N LEU A 65 27.354 2.969 4.840 1.00 0.00 N ATOM 1025 CA LEU A 65 28.347 3.613 5.693 1.00 0.00 C ATOM 1026 C LEU A 65 28.418 2.931 7.056 1.00 0.00 C ATOM 1027 O LEU A 65 29.444 2.981 7.734 1.00 0.00 O ATOM 1028 CB LEU A 65 28.014 5.095 5.869 1.00 0.00 C ATOM 1029 CG LEU A 65 28.931 6.080 5.142 1.00 0.00 C ATOM 1030 CD1 LEU A 65 28.164 7.331 4.746 1.00 0.00 C ATOM 1031 CD2 LEU A 65 30.127 6.438 6.013 1.00 0.00 C ATOM 0 H LEU A 65 26.546 3.551 4.620 1.00 0.00 H new ATOM 0 HA LEU A 65 29.319 3.521 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.992 5.260 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.035 5.328 6.934 1.00 0.00 H new ATOM 0 HG LEU A 65 29.298 5.602 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.833 8.020 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.342 7.059 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.766 7.812 5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.768 7.140 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 65 29.779 6.896 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.691 5.535 6.245 1.00 0.00 H new ATOM 1043 N SER A 66 27.321 2.292 7.450 1.00 0.00 N ATOM 1044 CA SER A 66 27.258 1.602 8.733 1.00 0.00 C ATOM 1045 C SER A 66 27.695 0.147 8.589 1.00 0.00 C ATOM 1046 O SER A 66 28.180 -0.465 9.541 1.00 0.00 O ATOM 1047 CB SER A 66 25.839 1.665 9.301 1.00 0.00 C ATOM 1048 OG SER A 66 25.793 1.146 10.619 1.00 0.00 O ATOM 0 H SER A 66 26.464 2.238 6.899 1.00 0.00 H new ATOM 0 HA SER A 66 27.940 2.103 9.420 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.490 2.697 9.301 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.162 1.100 8.660 1.00 0.00 H new ATOM 0 HG SER A 66 24.876 1.199 10.960 1.00 0.00 H new ATOM 1054 N THR A 67 27.521 -0.401 7.390 1.00 0.00 N ATOM 1055 CA THR A 67 27.896 -1.783 7.120 1.00 0.00 C ATOM 1056 C THR A 67 29.298 -1.867 6.528 1.00 0.00 C ATOM 1057 O THR A 67 29.877 -2.949 6.425 1.00 0.00 O ATOM 1058 CB THR A 67 26.902 -2.456 6.155 1.00 0.00 C ATOM 1059 OG1 THR A 67 26.990 -3.880 6.276 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.182 -2.046 4.717 1.00 0.00 C ATOM 0 H THR A 67 27.123 0.092 6.591 1.00 0.00 H new ATOM 0 HA THR A 67 27.876 -2.308 8.075 1.00 0.00 H new ATOM 0 HB THR A 67 25.896 -2.131 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 67 27.907 -4.132 6.511 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.468 -2.534 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.086 -0.964 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.194 -2.346 4.444 1.00 0.00 H new ATOM 1068 N THR A 68 29.840 -0.717 6.139 1.00 0.00 N ATOM 1069 CA THR A 68 31.175 -0.660 5.556 1.00 0.00 C ATOM 1070 C THR A 68 32.004 0.452 6.187 1.00 0.00 C ATOM 1071 O THR A 68 31.497 1.240 6.986 1.00 0.00 O ATOM 1072 CB THR A 68 31.114 -0.438 4.033 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.909 0.950 3.748 1.00 0.00 O ATOM 1074 CG2 THR A 68 29.995 -1.260 3.411 1.00 0.00 C ATOM 0 H THR A 68 29.375 0.187 6.217 1.00 0.00 H new ATOM 0 HA THR A 68 31.648 -1.621 5.757 1.00 0.00 H new ATOM 0 HB THR A 68 32.062 -0.760 3.603 1.00 0.00 H new ATOM 0 HG1 THR A 68 30.041 1.232 4.104 1.00 0.00 H new ATOM 0 HG21 THR A 68 29.971 -1.087 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.170 -2.318 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.041 -0.964 3.847 1.00 0.00 H new ATOM 1082 N ARG A 69 33.281 0.512 5.824 1.00 0.00 N ATOM 1083 CA ARG A 69 34.180 1.528 6.356 1.00 0.00 C ATOM 1084 C ARG A 69 34.745 2.395 5.234 1.00 0.00 C ATOM 1085 O ARG A 69 35.759 3.071 5.409 1.00 0.00 O ATOM 1086 CB ARG A 69 35.323 0.872 7.133 1.00 0.00 C ATOM 1087 CG ARG A 69 34.857 -0.160 8.146 1.00 0.00 C ATOM 1088 CD ARG A 69 34.091 0.488 9.289 1.00 0.00 C ATOM 1089 NE ARG A 69 33.958 -0.407 10.436 1.00 0.00 N ATOM 1090 CZ ARG A 69 34.970 -0.736 11.231 1.00 0.00 C ATOM 1091 NH1 ARG A 69 36.181 -0.247 11.006 1.00 0.00 N ATOM 1092 NH2 ARG A 69 34.771 -1.556 12.255 1.00 0.00 N ATOM 0 H ARG A 69 33.716 -0.132 5.163 1.00 0.00 H new ATOM 0 HA ARG A 69 33.609 2.165 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.004 0.395 6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.891 1.646 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 69 34.222 -0.896 7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 69 35.719 -0.697 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 69 34.603 1.399 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 69 33.100 0.781 8.941 1.00 0.00 H new ATOM 0 HE ARG A 69 33.039 -0.800 10.637 1.00 0.00 H new ATOM 0 HH11 ARG A 69 36.338 0.384 10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 69 36.956 -0.502 11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 69 33.840 -1.934 12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 69 35.549 -1.808 12.865 1.00 0.00 H new ATOM 1106 N MET A 70 34.082 2.370 4.083 1.00 0.00 N ATOM 1107 CA MET A 70 34.518 3.154 2.933 1.00 0.00 C ATOM 1108 C MET A 70 34.520 4.644 3.260 1.00 0.00 C ATOM 1109 O MET A 70 33.819 5.107 4.160 1.00 0.00 O ATOM 1110 CB MET A 70 33.611 2.884 1.731 1.00 0.00 C ATOM 1111 CG MET A 70 33.860 1.538 1.071 1.00 0.00 C ATOM 1112 SD MET A 70 32.769 1.240 -0.334 1.00 0.00 S ATOM 1113 CE MET A 70 31.202 1.003 0.500 1.00 0.00 C ATOM 0 H MET A 70 33.241 1.816 3.921 1.00 0.00 H new ATOM 0 HA MET A 70 35.536 2.854 2.685 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.571 2.935 2.053 1.00 0.00 H new ATOM 0 HB3 MET A 70 33.755 3.673 0.993 1.00 0.00 H new ATOM 0 HG2 MET A 70 34.897 1.487 0.738 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.723 0.746 1.807 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.472 0.602 -0.203 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.332 0.304 1.326 1.00 0.00 H new ATOM 0 HE3 MET A 70 30.847 1.959 0.885 1.00 0.00 H new ATOM 1123 N PRO A 71 35.325 5.414 2.512 1.00 0.00 N ATOM 1124 CA PRO A 71 35.436 6.863 2.705 1.00 0.00 C ATOM 1125 C PRO A 71 34.172 7.603 2.281 1.00 0.00 C ATOM 1126 O PRO A 71 33.313 7.042 1.599 1.00 0.00 O ATOM 1127 CB PRO A 71 36.611 7.251 1.803 1.00 0.00 C ATOM 1128 CG PRO A 71 36.647 6.195 0.753 1.00 0.00 C ATOM 1129 CD PRO A 71 36.188 4.929 1.422 1.00 0.00 C ATOM 0 HA PRO A 71 35.580 7.125 3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.465 8.239 1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.546 7.285 2.363 1.00 0.00 H new ATOM 0 HG2 PRO A 71 35.996 6.453 -0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.653 6.080 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.642 4.285 0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.028 4.348 1.803 1.00 0.00 H new ATOM 1137 N ILE A 72 34.066 8.863 2.687 1.00 0.00 N ATOM 1138 CA ILE A 72 32.907 9.679 2.347 1.00 0.00 C ATOM 1139 C ILE A 72 32.809 9.895 0.841 1.00 0.00 C ATOM 1140 O ILE A 72 31.716 10.028 0.292 1.00 0.00 O ATOM 1141 CB ILE A 72 32.958 11.049 3.048 1.00 0.00 C ATOM 1142 CG1 ILE A 72 33.173 10.869 4.553 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.680 11.830 2.780 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.032 10.157 5.245 1.00 0.00 C ATOM 0 H ILE A 72 34.768 9.341 3.252 1.00 0.00 H new ATOM 0 HA ILE A 72 32.027 9.136 2.692 1.00 0.00 H new ATOM 0 HB ILE A 72 33.798 11.615 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 72 34.093 10.308 4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.311 11.848 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.732 12.796 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.566 11.985 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.825 11.270 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.252 10.065 6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 72 31.113 10.728 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.907 9.164 4.813 1.00 0.00 H new ATOM 1156 N ALA A 73 33.960 9.928 0.177 1.00 0.00 N ATOM 1157 CA ALA A 73 34.005 10.124 -1.266 1.00 0.00 C ATOM 1158 C ALA A 73 33.398 8.933 -2.001 1.00 0.00 C ATOM 1159 O ALA A 73 32.583 9.099 -2.909 1.00 0.00 O ATOM 1160 CB ALA A 73 35.437 10.355 -1.724 1.00 0.00 C ATOM 0 H ALA A 73 34.874 9.821 0.616 1.00 0.00 H new ATOM 0 HA ALA A 73 33.412 11.007 -1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.455 10.500 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.838 11.242 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 73 36.046 9.489 -1.464 1.00 0.00 H new ATOM 1166 N THR A 74 33.802 7.730 -1.603 1.00 0.00 N ATOM 1167 CA THR A 74 33.300 6.511 -2.224 1.00 0.00 C ATOM 1168 C THR A 74 31.819 6.311 -1.925 1.00 0.00 C ATOM 1169 O THR A 74 31.029 6.009 -2.820 1.00 0.00 O ATOM 1170 CB THR A 74 34.081 5.273 -1.745 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.461 5.394 -2.107 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.503 4.001 -2.347 1.00 0.00 C ATOM 0 H THR A 74 34.476 7.575 -0.853 1.00 0.00 H new ATOM 0 HA THR A 74 33.438 6.625 -3.299 1.00 0.00 H new ATOM 0 HB THR A 74 33.994 5.214 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.951 4.604 -1.797 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.071 3.140 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.461 3.896 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.562 4.053 -3.434 1.00 0.00 H new ATOM 1180 N VAL A 75 31.447 6.480 -0.660 1.00 0.00 N ATOM 1181 CA VAL A 75 30.060 6.320 -0.242 1.00 0.00 C ATOM 1182 C VAL A 75 29.136 7.233 -1.041 1.00 0.00 C ATOM 1183 O VAL A 75 28.042 6.834 -1.437 1.00 0.00 O ATOM 1184 CB VAL A 75 29.887 6.619 1.259 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.427 6.491 1.665 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.763 5.695 2.090 1.00 0.00 C ATOM 0 H VAL A 75 32.088 6.728 0.094 1.00 0.00 H new ATOM 0 HA VAL A 75 29.791 5.281 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 75 30.202 7.646 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.325 6.706 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.827 7.198 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.081 5.477 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.628 5.920 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.481 4.659 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.808 5.842 1.818 1.00 0.00 H new ATOM 1196 N GLY A 76 29.586 8.462 -1.275 1.00 0.00 N ATOM 1197 CA GLY A 76 28.788 9.413 -2.026 1.00 0.00 C ATOM 1198 C GLY A 76 28.444 8.913 -3.415 1.00 0.00 C ATOM 1199 O GLY A 76 27.313 9.068 -3.876 1.00 0.00 O ATOM 0 H GLY A 76 30.489 8.816 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.868 9.621 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.331 10.355 -2.106 1.00 0.00 H new ATOM 1203 N ARG A 77 29.423 8.312 -4.085 1.00 0.00 N ATOM 1204 CA ARG A 77 29.219 7.790 -5.431 1.00 0.00 C ATOM 1205 C ARG A 77 28.086 6.768 -5.452 1.00 0.00 C ATOM 1206 O ARG A 77 27.344 6.670 -6.428 1.00 0.00 O ATOM 1207 CB ARG A 77 30.507 7.151 -5.953 1.00 0.00 C ATOM 1208 CG ARG A 77 31.459 8.142 -6.602 1.00 0.00 C ATOM 1209 CD ARG A 77 32.710 7.453 -7.124 1.00 0.00 C ATOM 1210 NE ARG A 77 32.442 6.668 -8.325 1.00 0.00 N ATOM 1211 CZ ARG A 77 32.195 7.205 -9.515 1.00 0.00 C ATOM 1212 NH1 ARG A 77 32.183 8.523 -9.661 1.00 0.00 N ATOM 1213 NH2 ARG A 77 31.961 6.424 -10.561 1.00 0.00 N ATOM 0 H ARG A 77 30.365 8.175 -3.717 1.00 0.00 H new ATOM 0 HA ARG A 77 28.946 8.622 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.018 6.657 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.251 6.378 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.953 8.650 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.739 8.907 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.471 8.202 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 77 33.116 6.803 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 77 32.444 5.651 -8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 77 32.364 9.127 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 77 31.993 8.933 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 77 31.970 5.410 -10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 77 31.771 6.838 -11.474 1.00 0.00 H new ATOM 1227 N ASN A 78 27.961 6.009 -4.368 1.00 0.00 N ATOM 1228 CA ASN A 78 26.920 4.993 -4.262 1.00 0.00 C ATOM 1229 C ASN A 78 25.533 5.624 -4.351 1.00 0.00 C ATOM 1230 O ASN A 78 24.591 5.010 -4.851 1.00 0.00 O ATOM 1231 CB ASN A 78 27.059 4.226 -2.946 1.00 0.00 C ATOM 1232 CG ASN A 78 28.371 3.471 -2.853 1.00 0.00 C ATOM 1233 OD1 ASN A 78 28.896 2.991 -3.857 1.00 0.00 O ATOM 1234 ND2 ASN A 78 28.906 3.362 -1.642 1.00 0.00 N ATOM 0 H ASN A 78 28.567 6.078 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 78 27.039 4.299 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 78 26.985 4.924 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.231 3.524 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.787 2.864 -1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 78 28.435 3.776 -0.837 1.00 0.00 H new ATOM 1241 N VAL A 79 25.417 6.855 -3.864 1.00 0.00 N ATOM 1242 CA VAL A 79 24.147 7.571 -3.890 1.00 0.00 C ATOM 1243 C VAL A 79 24.101 8.568 -5.043 1.00 0.00 C ATOM 1244 O VAL A 79 23.276 9.481 -5.056 1.00 0.00 O ATOM 1245 CB VAL A 79 23.897 8.320 -2.568 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.852 7.345 -1.402 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.966 9.379 -2.346 1.00 0.00 C ATOM 0 H VAL A 79 26.187 7.377 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 79 23.366 6.824 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 79 22.930 8.819 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.675 7.893 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.047 6.627 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.802 6.815 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.774 9.899 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.946 8.904 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.945 10.095 -3.168 1.00 0.00 H new ATOM 1257 N GLY A 80 24.994 8.386 -6.011 1.00 0.00 N ATOM 1258 CA GLY A 80 25.039 9.277 -7.156 1.00 0.00 C ATOM 1259 C GLY A 80 25.635 10.628 -6.816 1.00 0.00 C ATOM 1260 O GLY A 80 25.667 11.529 -7.654 1.00 0.00 O ATOM 0 H GLY A 80 25.687 7.638 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.625 8.814 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.030 9.416 -7.544 1.00 0.00 H new ATOM 1264 N PHE A 81 26.107 10.772 -5.582 1.00 0.00 N ATOM 1265 CA PHE A 81 26.702 12.024 -5.132 1.00 0.00 C ATOM 1266 C PHE A 81 28.164 12.117 -5.559 1.00 0.00 C ATOM 1267 O PHE A 81 28.995 11.309 -5.145 1.00 0.00 O ATOM 1268 CB PHE A 81 26.596 12.146 -3.610 1.00 0.00 C ATOM 1269 CG PHE A 81 25.296 12.738 -3.145 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.092 12.303 -3.676 1.00 0.00 C ATOM 1271 CD2 PHE A 81 25.277 13.729 -2.178 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.895 12.846 -3.251 1.00 0.00 C ATOM 1273 CE2 PHE A 81 24.083 14.276 -1.748 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.890 13.833 -2.285 1.00 0.00 C ATOM 0 H PHE A 81 26.089 10.036 -4.876 1.00 0.00 H new ATOM 0 HA PHE A 81 26.153 12.844 -5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.716 11.158 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.418 12.762 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.090 11.531 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 81 26.207 14.079 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 81 21.964 12.499 -3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 81 24.083 15.049 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.955 14.258 -1.950 1.00 0.00 H new ATOM 1284 N ASP A 82 28.469 13.106 -6.392 1.00 0.00 N ATOM 1285 CA ASP A 82 29.830 13.306 -6.876 1.00 0.00 C ATOM 1286 C ASP A 82 30.656 14.094 -5.865 1.00 0.00 C ATOM 1287 O ASP A 82 31.868 13.902 -5.755 1.00 0.00 O ATOM 1288 CB ASP A 82 29.813 14.036 -8.220 1.00 0.00 C ATOM 1289 CG ASP A 82 29.672 15.537 -8.062 1.00 0.00 C ATOM 1290 OD1 ASP A 82 28.658 15.979 -7.483 1.00 0.00 O ATOM 1291 OD2 ASP A 82 30.575 16.269 -8.518 1.00 0.00 O ATOM 0 H ASP A 82 27.792 13.782 -6.746 1.00 0.00 H new ATOM 0 HA ASP A 82 30.290 12.327 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 82 30.733 13.815 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 82 28.989 13.658 -8.825 1.00 0.00 H new ATOM 1296 N ASP A 83 29.994 14.981 -5.130 1.00 0.00 N ATOM 1297 CA ASP A 83 30.668 15.798 -4.128 1.00 0.00 C ATOM 1298 C ASP A 83 30.575 15.154 -2.749 1.00 0.00 C ATOM 1299 O ASP A 83 29.481 14.951 -2.221 1.00 0.00 O ATOM 1300 CB ASP A 83 30.060 17.201 -4.091 1.00 0.00 C ATOM 1301 CG ASP A 83 30.553 18.076 -5.226 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.555 17.702 -5.872 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.938 19.135 -5.469 1.00 0.00 O ATOM 0 H ASP A 83 28.992 15.152 -5.209 1.00 0.00 H new ATOM 0 HA ASP A 83 31.720 15.873 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.974 17.124 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.303 17.674 -3.140 1.00 0.00 H new ATOM 1308 N GLN A 84 31.728 14.833 -2.172 1.00 0.00 N ATOM 1309 CA GLN A 84 31.776 14.210 -0.854 1.00 0.00 C ATOM 1310 C GLN A 84 31.184 15.132 0.206 1.00 0.00 C ATOM 1311 O GLN A 84 30.457 14.687 1.096 1.00 0.00 O ATOM 1312 CB GLN A 84 33.217 13.851 -0.488 1.00 0.00 C ATOM 1313 CG GLN A 84 34.168 15.037 -0.528 1.00 0.00 C ATOM 1314 CD GLN A 84 35.533 14.672 -1.078 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.854 14.975 -2.227 1.00 0.00 O ATOM 1316 NE2 GLN A 84 36.346 14.017 -0.257 1.00 0.00 N ATOM 0 H GLN A 84 32.642 14.994 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 84 31.180 13.298 -0.889 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.232 13.417 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.577 13.084 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 84 33.733 15.826 -1.141 1.00 0.00 H new ATOM 0 HG3 GLN A 84 34.282 15.441 0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 84 36.039 13.786 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 84 37.277 13.745 -0.571 1.00 0.00 H new ATOM 1325 N LEU A 85 31.498 16.419 0.106 1.00 0.00 N ATOM 1326 CA LEU A 85 30.998 17.405 1.058 1.00 0.00 C ATOM 1327 C LEU A 85 29.495 17.608 0.891 1.00 0.00 C ATOM 1328 O LEU A 85 28.779 17.845 1.864 1.00 0.00 O ATOM 1329 CB LEU A 85 31.728 18.736 0.874 1.00 0.00 C ATOM 1330 CG LEU A 85 32.977 18.941 1.732 1.00 0.00 C ATOM 1331 CD1 LEU A 85 32.611 18.975 3.208 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.997 17.845 1.458 1.00 0.00 C ATOM 0 H LEU A 85 32.096 16.804 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 85 31.186 17.031 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 85 32.012 18.830 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 85 31.028 19.544 1.088 1.00 0.00 H new ATOM 0 HG LEU A 85 33.423 19.900 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.512 19.122 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.917 19.795 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.141 18.032 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.880 18.006 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 85 33.561 16.875 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 85 34.282 17.868 0.406 1.00 0.00 H new ATOM 1344 N TYR A 86 29.025 17.513 -0.348 1.00 0.00 N ATOM 1345 CA TYR A 86 27.607 17.687 -0.642 1.00 0.00 C ATOM 1346 C TYR A 86 26.766 16.652 0.099 1.00 0.00 C ATOM 1347 O TYR A 86 25.701 16.966 0.632 1.00 0.00 O ATOM 1348 CB TYR A 86 27.361 17.577 -2.148 1.00 0.00 C ATOM 1349 CG TYR A 86 25.896 17.569 -2.522 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.996 18.431 -1.909 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.412 16.698 -3.491 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.657 18.426 -2.247 1.00 0.00 C ATOM 1353 CE2 TYR A 86 24.074 16.687 -3.837 1.00 0.00 C ATOM 1354 CZ TYR A 86 23.201 17.552 -3.212 1.00 0.00 C ATOM 1355 OH TYR A 86 21.868 17.545 -3.554 1.00 0.00 O ATOM 0 H TYR A 86 29.604 17.317 -1.164 1.00 0.00 H new ATOM 0 HA TYR A 86 27.310 18.679 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.851 18.411 -2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.827 16.664 -2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 86 25.350 19.118 -1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 86 26.093 16.018 -3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.971 19.102 -1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.714 16.005 -4.593 1.00 0.00 H new ATOM 0 HH TYR A 86 21.712 16.872 -4.249 1.00 0.00 H new ATOM 1365 N PHE A 87 27.252 15.415 0.128 1.00 0.00 N ATOM 1366 CA PHE A 87 26.546 14.332 0.803 1.00 0.00 C ATOM 1367 C PHE A 87 26.511 14.563 2.311 1.00 0.00 C ATOM 1368 O PHE A 87 25.472 14.402 2.951 1.00 0.00 O ATOM 1369 CB PHE A 87 27.214 12.990 0.496 1.00 0.00 C ATOM 1370 CG PHE A 87 26.735 11.868 1.372 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.410 11.463 1.340 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.610 11.219 2.228 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.967 10.431 2.145 1.00 0.00 C ATOM 1374 CE2 PHE A 87 27.172 10.185 3.035 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.848 9.792 2.994 1.00 0.00 C ATOM 0 H PHE A 87 28.132 15.138 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 87 25.521 14.313 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.029 12.731 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.293 13.095 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.716 11.960 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.645 11.524 2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.932 10.125 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.864 9.685 3.697 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.503 8.986 3.625 1.00 0.00 H new ATOM 1385 N SER A 88 27.655 14.940 2.873 1.00 0.00 N ATOM 1386 CA SER A 88 27.758 15.188 4.306 1.00 0.00 C ATOM 1387 C SER A 88 26.910 16.389 4.712 1.00 0.00 C ATOM 1388 O SER A 88 26.286 16.393 5.773 1.00 0.00 O ATOM 1389 CB SER A 88 29.217 15.423 4.701 1.00 0.00 C ATOM 1390 OG SER A 88 29.780 16.493 3.961 1.00 0.00 O ATOM 0 H SER A 88 28.524 15.080 2.357 1.00 0.00 H new ATOM 0 HA SER A 88 27.384 14.308 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.278 15.642 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.794 14.515 4.529 1.00 0.00 H new ATOM 0 HG SER A 88 29.188 16.722 3.214 1.00 0.00 H new ATOM 1396 N ARG A 89 26.892 17.408 3.858 1.00 0.00 N ATOM 1397 CA ARG A 89 26.121 18.616 4.127 1.00 0.00 C ATOM 1398 C ARG A 89 24.629 18.305 4.202 1.00 0.00 C ATOM 1399 O ARG A 89 23.951 18.690 5.154 1.00 0.00 O ATOM 1400 CB ARG A 89 26.381 19.664 3.043 1.00 0.00 C ATOM 1401 CG ARG A 89 27.554 20.580 3.349 1.00 0.00 C ATOM 1402 CD ARG A 89 28.071 21.262 2.093 1.00 0.00 C ATOM 1403 NE ARG A 89 28.995 22.351 2.401 1.00 0.00 N ATOM 1404 CZ ARG A 89 28.607 23.535 2.863 1.00 0.00 C ATOM 1405 NH1 ARG A 89 27.320 23.780 3.069 1.00 0.00 N ATOM 1406 NH2 ARG A 89 29.507 24.475 3.120 1.00 0.00 N ATOM 0 H ARG A 89 27.402 17.421 2.975 1.00 0.00 H new ATOM 0 HA ARG A 89 26.440 19.013 5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 89 26.565 19.157 2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 89 25.484 20.269 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 89 27.248 21.334 4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 89 28.357 20.003 3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 89 28.573 20.528 1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 89 27.230 21.652 1.520 1.00 0.00 H new ATOM 0 HE ARG A 89 29.992 22.194 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 89 26.626 23.059 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 89 27.024 24.690 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 89 30.498 24.289 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 89 29.208 25.384 3.475 1.00 0.00 H new ATOM 1420 N VAL A 90 24.125 17.605 3.190 1.00 0.00 N ATOM 1421 CA VAL A 90 22.714 17.241 3.141 1.00 0.00 C ATOM 1422 C VAL A 90 22.381 16.190 4.195 1.00 0.00 C ATOM 1423 O VAL A 90 21.380 16.301 4.903 1.00 0.00 O ATOM 1424 CB VAL A 90 22.321 16.702 1.753 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.864 16.268 1.741 1.00 0.00 C ATOM 1426 CG2 VAL A 90 22.583 17.750 0.682 1.00 0.00 C ATOM 0 H VAL A 90 24.673 17.279 2.394 1.00 0.00 H new ATOM 0 HA VAL A 90 22.146 18.149 3.344 1.00 0.00 H new ATOM 0 HB VAL A 90 22.936 15.829 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.605 15.890 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.712 15.482 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.229 17.120 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 90 22.300 17.353 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.995 18.643 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 90 23.642 18.007 0.675 1.00 0.00 H new ATOM 1436 N PHE A 91 23.226 15.170 4.293 1.00 0.00 N ATOM 1437 CA PHE A 91 23.022 14.098 5.260 1.00 0.00 C ATOM 1438 C PHE A 91 23.042 14.641 6.686 1.00 0.00 C ATOM 1439 O PHE A 91 22.291 14.183 7.548 1.00 0.00 O ATOM 1440 CB PHE A 91 24.097 13.022 5.097 1.00 0.00 C ATOM 1441 CG PHE A 91 23.871 11.812 5.958 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.383 11.756 7.244 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.147 10.732 5.481 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.177 10.644 8.038 1.00 0.00 C ATOM 1445 CE2 PHE A 91 22.938 9.617 6.271 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.453 9.573 7.552 1.00 0.00 C ATOM 0 H PHE A 91 24.059 15.063 3.714 1.00 0.00 H new ATOM 0 HA PHE A 91 22.044 13.655 5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 91 24.134 12.713 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 91 25.069 13.452 5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.949 12.591 7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.741 10.761 4.481 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.582 10.612 9.039 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.372 8.781 5.887 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.290 8.704 8.172 1.00 0.00 H new ATOM 1456 N LYS A 92 23.908 15.619 6.928 1.00 0.00 N ATOM 1457 CA LYS A 92 24.027 16.227 8.248 1.00 0.00 C ATOM 1458 C LYS A 92 22.719 16.892 8.662 1.00 0.00 C ATOM 1459 O LYS A 92 22.433 17.038 9.851 1.00 0.00 O ATOM 1460 CB LYS A 92 25.160 17.256 8.257 1.00 0.00 C ATOM 1461 CG LYS A 92 25.289 18.007 9.572 1.00 0.00 C ATOM 1462 CD LYS A 92 24.512 19.312 9.547 1.00 0.00 C ATOM 1463 CE LYS A 92 25.432 20.512 9.715 1.00 0.00 C ATOM 1464 NZ LYS A 92 24.901 21.720 9.024 1.00 0.00 N ATOM 0 H LYS A 92 24.538 16.008 6.227 1.00 0.00 H new ATOM 0 HA LYS A 92 24.254 15.438 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 92 26.101 16.750 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.995 17.973 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.925 17.381 10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 92 26.340 18.212 9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.971 19.396 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.767 19.309 10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.558 20.727 10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 92 26.419 20.271 9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.557 22.515 9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.804 21.524 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.971 21.965 9.419 1.00 0.00 H new ATOM 1478 N LYS A 93 21.925 17.292 7.674 1.00 0.00 N ATOM 1479 CA LYS A 93 20.645 17.939 7.934 1.00 0.00 C ATOM 1480 C LYS A 93 19.584 16.912 8.316 1.00 0.00 C ATOM 1481 O LYS A 93 18.612 17.234 9.000 1.00 0.00 O ATOM 1482 CB LYS A 93 20.189 18.727 6.704 1.00 0.00 C ATOM 1483 CG LYS A 93 21.104 19.886 6.351 1.00 0.00 C ATOM 1484 CD LYS A 93 20.894 20.345 4.917 1.00 0.00 C ATOM 1485 CE LYS A 93 21.145 21.838 4.768 1.00 0.00 C ATOM 1486 NZ LYS A 93 21.212 22.249 3.338 1.00 0.00 N ATOM 0 H LYS A 93 22.146 17.179 6.685 1.00 0.00 H new ATOM 0 HA LYS A 93 20.777 18.627 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.128 18.050 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.184 19.109 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.919 20.717 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.143 19.586 6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.563 19.795 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.876 20.113 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.350 22.392 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.079 22.101 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.384 23.273 3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.987 21.740 2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.312 22.022 2.869 1.00 0.00 H new ATOM 1500 N CYS A 94 19.777 15.675 7.870 1.00 0.00 N ATOM 1501 CA CYS A 94 18.836 14.600 8.165 1.00 0.00 C ATOM 1502 C CYS A 94 19.118 13.992 9.535 1.00 0.00 C ATOM 1503 O CYS A 94 18.197 13.694 10.296 1.00 0.00 O ATOM 1504 CB CYS A 94 18.912 13.518 7.087 1.00 0.00 C ATOM 1505 SG CYS A 94 17.316 12.773 6.676 1.00 0.00 S ATOM 0 H CYS A 94 20.576 15.392 7.303 1.00 0.00 H new ATOM 0 HA CYS A 94 17.831 15.022 8.175 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.343 13.950 6.184 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.592 12.734 7.421 1.00 0.00 H new ATOM 0 HG CYS A 94 17.389 12.206 5.508 1.00 0.00 H new ATOM 1511 N THR A 95 20.398 13.807 9.842 1.00 0.00 N ATOM 1512 CA THR A 95 20.803 13.232 11.119 1.00 0.00 C ATOM 1513 C THR A 95 21.103 14.321 12.142 1.00 0.00 C ATOM 1514 O THR A 95 21.179 14.055 13.341 1.00 0.00 O ATOM 1515 CB THR A 95 22.044 12.333 10.962 1.00 0.00 C ATOM 1516 OG1 THR A 95 23.004 12.969 10.111 1.00 0.00 O ATOM 1517 CG2 THR A 95 21.662 10.980 10.382 1.00 0.00 C ATOM 0 H THR A 95 21.173 14.047 9.223 1.00 0.00 H new ATOM 0 HA THR A 95 19.968 12.627 11.472 1.00 0.00 H new ATOM 0 HB THR A 95 22.480 12.177 11.949 1.00 0.00 H new ATOM 0 HG1 THR A 95 23.326 12.327 9.444 1.00 0.00 H new ATOM 0 HG21 THR A 95 22.555 10.363 10.280 1.00 0.00 H new ATOM 0 HG22 THR A 95 20.953 10.486 11.047 1.00 0.00 H new ATOM 0 HG23 THR A 95 21.204 11.120 9.403 1.00 0.00 H new ATOM 1525 N GLY A 96 21.273 15.549 11.661 1.00 0.00 N ATOM 1526 CA GLY A 96 21.563 16.660 12.548 1.00 0.00 C ATOM 1527 C GLY A 96 23.045 16.801 12.835 1.00 0.00 C ATOM 1528 O GLY A 96 23.479 17.793 13.420 1.00 0.00 O ATOM 0 H GLY A 96 21.215 15.794 10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.193 17.583 12.102 1.00 0.00 H new ATOM 0 HA3 GLY A 96 21.026 16.522 13.486 1.00 0.00 H new ATOM 1532 N ALA A 97 23.824 15.806 12.423 1.00 0.00 N ATOM 1533 CA ALA A 97 25.265 15.825 12.638 1.00 0.00 C ATOM 1534 C ALA A 97 26.010 15.313 11.410 1.00 0.00 C ATOM 1535 O ALA A 97 25.477 14.521 10.634 1.00 0.00 O ATOM 1536 CB ALA A 97 25.627 14.994 13.861 1.00 0.00 C ATOM 0 H ALA A 97 23.481 14.977 11.938 1.00 0.00 H new ATOM 0 HA ALA A 97 25.568 16.858 12.811 1.00 0.00 H new ATOM 0 HB1 ALA A 97 26.707 15.017 14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 97 25.131 15.405 14.740 1.00 0.00 H new ATOM 0 HB3 ALA A 97 25.303 13.964 13.710 1.00 0.00 H new ATOM 1542 N SER A 98 27.246 15.773 11.239 1.00 0.00 N ATOM 1543 CA SER A 98 28.063 15.365 10.102 1.00 0.00 C ATOM 1544 C SER A 98 28.377 13.873 10.166 1.00 0.00 C ATOM 1545 O SER A 98 28.242 13.228 11.206 1.00 0.00 O ATOM 1546 CB SER A 98 29.363 16.170 10.066 1.00 0.00 C ATOM 1547 OG SER A 98 30.489 15.316 9.959 1.00 0.00 O ATOM 0 H SER A 98 27.703 16.428 11.873 1.00 0.00 H new ATOM 0 HA SER A 98 27.497 15.561 9.191 1.00 0.00 H new ATOM 0 HB2 SER A 98 29.344 16.860 9.222 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.445 16.774 10.969 1.00 0.00 H new ATOM 0 HG SER A 98 31.307 15.855 9.936 1.00 0.00 H new ATOM 1553 N PRO A 99 28.806 13.311 9.026 1.00 0.00 N ATOM 1554 CA PRO A 99 29.149 11.889 8.926 1.00 0.00 C ATOM 1555 C PRO A 99 30.422 11.544 9.691 1.00 0.00 C ATOM 1556 O PRO A 99 30.561 10.441 10.219 1.00 0.00 O ATOM 1557 CB PRO A 99 29.355 11.679 7.423 1.00 0.00 C ATOM 1558 CG PRO A 99 29.732 13.023 6.902 1.00 0.00 C ATOM 1559 CD PRO A 99 28.991 14.019 7.749 1.00 0.00 C ATOM 0 HA PRO A 99 28.377 11.252 9.358 1.00 0.00 H new ATOM 0 HB2 PRO A 99 30.137 10.945 7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 99 28.447 11.310 6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 99 30.809 13.179 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 99 29.459 13.125 5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 99 29.561 14.939 7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 99 28.037 14.296 7.301 1.00 0.00 H new ATOM 1567 N SER A 100 31.349 12.495 9.747 1.00 0.00 N ATOM 1568 CA SER A 100 32.613 12.290 10.445 1.00 0.00 C ATOM 1569 C SER A 100 32.390 12.175 11.950 1.00 0.00 C ATOM 1570 O SER A 100 33.094 11.436 12.637 1.00 0.00 O ATOM 1571 CB SER A 100 33.577 13.440 10.147 1.00 0.00 C ATOM 1572 OG SER A 100 34.924 13.037 10.326 1.00 0.00 O ATOM 0 H SER A 100 31.249 13.415 9.318 1.00 0.00 H new ATOM 0 HA SER A 100 33.050 11.358 10.088 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.431 13.785 9.124 1.00 0.00 H new ATOM 0 HB3 SER A 100 33.356 14.283 10.802 1.00 0.00 H new ATOM 0 HG SER A 100 35.520 13.790 10.128 1.00 0.00 H new ATOM 1578 N GLU A 101 31.406 12.913 12.454 1.00 0.00 N ATOM 1579 CA GLU A 101 31.091 12.895 13.877 1.00 0.00 C ATOM 1580 C GLU A 101 30.365 11.607 14.258 1.00 0.00 C ATOM 1581 O GLU A 101 30.719 10.948 15.235 1.00 0.00 O ATOM 1582 CB GLU A 101 30.231 14.106 14.247 1.00 0.00 C ATOM 1583 CG GLU A 101 30.108 14.330 15.745 1.00 0.00 C ATOM 1584 CD GLU A 101 31.004 15.448 16.243 1.00 0.00 C ATOM 1585 OE1 GLU A 101 30.578 16.620 16.184 1.00 0.00 O ATOM 1586 OE2 GLU A 101 32.131 15.150 16.691 1.00 0.00 O ATOM 0 H GLU A 101 30.814 13.530 11.898 1.00 0.00 H new ATOM 0 HA GLU A 101 32.029 12.941 14.431 1.00 0.00 H new ATOM 0 HB2 GLU A 101 30.658 14.998 13.789 1.00 0.00 H new ATOM 0 HB3 GLU A 101 29.235 13.976 13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 101 29.072 14.563 15.990 1.00 0.00 H new ATOM 0 HG3 GLU A 101 30.359 13.408 16.268 1.00 0.00 H new ATOM 1593 N PHE A 102 29.348 11.256 13.478 1.00 0.00 N ATOM 1594 CA PHE A 102 28.571 10.048 13.733 1.00 0.00 C ATOM 1595 C PHE A 102 29.461 8.809 13.687 1.00 0.00 C ATOM 1596 O PHE A 102 29.363 7.930 14.542 1.00 0.00 O ATOM 1597 CB PHE A 102 27.442 9.917 12.709 1.00 0.00 C ATOM 1598 CG PHE A 102 26.365 8.956 13.124 1.00 0.00 C ATOM 1599 CD1 PHE A 102 26.498 7.599 12.878 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.221 9.409 13.761 1.00 0.00 C ATOM 1601 CE1 PHE A 102 25.508 6.712 13.259 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.228 8.527 14.144 1.00 0.00 C ATOM 1603 CZ PHE A 102 24.373 7.176 13.893 1.00 0.00 C ATOM 0 H PHE A 102 29.043 11.790 12.665 1.00 0.00 H new ATOM 0 HA PHE A 102 28.140 10.127 14.731 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.998 10.898 12.542 1.00 0.00 H new ATOM 0 HB3 PHE A 102 27.862 9.591 11.757 1.00 0.00 H new ATOM 0 HD1 PHE A 102 27.384 7.230 12.383 1.00 0.00 H new ATOM 0 HD2 PHE A 102 25.104 10.464 13.961 1.00 0.00 H new ATOM 0 HE1 PHE A 102 25.623 5.657 13.061 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.340 8.893 14.639 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.600 6.484 14.192 1.00 0.00 H new ATOM 1613 N ARG A 103 30.328 8.748 12.681 1.00 0.00 N ATOM 1614 CA ARG A 103 31.234 7.617 12.522 1.00 0.00 C ATOM 1615 C ARG A 103 32.131 7.462 13.746 1.00 0.00 C ATOM 1616 O ARG A 103 32.367 6.350 14.218 1.00 0.00 O ATOM 1617 CB ARG A 103 32.091 7.796 11.267 1.00 0.00 C ATOM 1618 CG ARG A 103 32.700 6.501 10.756 1.00 0.00 C ATOM 1619 CD ARG A 103 33.580 6.741 9.539 1.00 0.00 C ATOM 1620 NE ARG A 103 34.275 5.528 9.117 1.00 0.00 N ATOM 1621 CZ ARG A 103 35.386 5.080 9.692 1.00 0.00 C ATOM 1622 NH1 ARG A 103 35.925 5.742 10.706 1.00 0.00 N ATOM 1623 NH2 ARG A 103 35.960 3.968 9.251 1.00 0.00 N ATOM 0 H ARG A 103 30.422 9.468 11.965 1.00 0.00 H new ATOM 0 HA ARG A 103 30.633 6.714 12.418 1.00 0.00 H new ATOM 0 HB2 ARG A 103 31.479 8.236 10.479 1.00 0.00 H new ATOM 0 HB3 ARG A 103 32.891 8.504 11.482 1.00 0.00 H new ATOM 0 HG2 ARG A 103 33.290 6.038 11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 103 31.905 5.800 10.499 1.00 0.00 H new ATOM 0 HD2 ARG A 103 32.968 7.112 8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 103 34.311 7.516 9.768 1.00 0.00 H new ATOM 0 HE ARG A 103 33.886 4.996 8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 103 35.487 6.598 11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 103 36.778 5.396 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 103 35.548 3.457 8.470 1.00 0.00 H new ATOM 0 HH22 ARG A 103 36.813 3.625 9.693 1.00 0.00 H new ATOM 1637 N ALA A 104 32.628 8.584 14.255 1.00 0.00 N ATOM 1638 CA ALA A 104 33.498 8.573 15.424 1.00 0.00 C ATOM 1639 C ALA A 104 32.738 8.128 16.669 1.00 0.00 C ATOM 1640 O ALA A 104 33.319 7.563 17.595 1.00 0.00 O ATOM 1641 CB ALA A 104 34.110 9.949 15.640 1.00 0.00 C ATOM 0 H ALA A 104 32.443 9.513 13.876 1.00 0.00 H new ATOM 0 HA ALA A 104 34.299 7.856 15.244 1.00 0.00 H new ATOM 0 HB1 ALA A 104 34.757 9.926 16.517 1.00 0.00 H new ATOM 0 HB2 ALA A 104 34.695 10.229 14.764 1.00 0.00 H new ATOM 0 HB3 ALA A 104 33.316 10.680 15.794 1.00 0.00 H new ATOM 1647 N GLY A 105 31.434 8.389 16.686 1.00 0.00 N ATOM 1648 CA GLY A 105 30.616 8.009 17.823 1.00 0.00 C ATOM 1649 C GLY A 105 30.580 9.081 18.895 1.00 0.00 C ATOM 1650 O GLY A 105 29.803 8.991 19.846 1.00 0.00 O ATOM 0 H GLY A 105 30.930 8.857 15.933 1.00 0.00 H new ATOM 0 HA2 GLY A 105 29.601 7.804 17.484 1.00 0.00 H new ATOM 0 HA3 GLY A 105 31.002 7.084 18.251 1.00 0.00 H new ATOM 1654 N CYS A 106 31.423 10.097 18.742 1.00 0.00 N ATOM 1655 CA CYS A 106 31.486 11.189 19.706 1.00 0.00 C ATOM 1656 C CYS A 106 30.219 12.037 19.650 1.00 0.00 C ATOM 1657 O CYS A 106 29.710 12.337 18.572 1.00 0.00 O ATOM 1658 CB CYS A 106 32.712 12.063 19.438 1.00 0.00 C ATOM 1659 SG CYS A 106 33.114 13.203 20.783 1.00 0.00 S ATOM 0 H CYS A 106 32.072 10.187 17.960 1.00 0.00 H new ATOM 0 HA CYS A 106 31.568 10.757 20.703 1.00 0.00 H new ATOM 0 HB2 CYS A 106 33.571 11.418 19.254 1.00 0.00 H new ATOM 0 HB3 CYS A 106 32.543 12.638 18.527 1.00 0.00 H new ATOM 0 HG CYS A 106 34.166 13.897 20.464 1.00 0.00 H new ATOM 1665 N GLU A 107 29.717 12.419 20.821 1.00 0.00 N ATOM 1666 CA GLU A 107 28.508 13.230 20.904 1.00 0.00 C ATOM 1667 C GLU A 107 28.854 14.705 21.083 1.00 0.00 C ATOM 1668 O GLU A 107 28.236 15.576 20.472 1.00 0.00 O ATOM 1669 CB GLU A 107 27.629 12.757 22.063 1.00 0.00 C ATOM 1670 CG GLU A 107 26.158 13.096 21.890 1.00 0.00 C ATOM 1671 CD GLU A 107 25.377 12.989 23.185 1.00 0.00 C ATOM 1672 OE1 GLU A 107 25.730 13.698 24.150 1.00 0.00 O ATOM 1673 OE2 GLU A 107 24.414 12.195 23.234 1.00 0.00 O ATOM 0 H GLU A 107 30.128 12.180 21.723 1.00 0.00 H new ATOM 0 HA GLU A 107 27.958 13.114 19.970 1.00 0.00 H new ATOM 0 HB2 GLU A 107 27.734 11.677 22.170 1.00 0.00 H new ATOM 0 HB3 GLU A 107 27.990 13.206 22.988 1.00 0.00 H new ATOM 0 HG2 GLU A 107 26.066 14.109 21.498 1.00 0.00 H new ATOM 0 HG3 GLU A 107 25.720 12.427 21.150 1.00 0.00 H new TER 1680 GLU A 107