USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 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 36 TYR OH : rot 110:sc= -0.379 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -0.381 X(o=-0.76,f=-0.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.6!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 13 GLN : amide:sc= -3.24 K(o=-3.2,f=-8.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 25 GLN : amide:sc= -3.94! C(o=-3.9!,f=-5.7!) USER MOD Single : A 27 TYR OH : rot 130:sc= -1.3 USER MOD Single : A 28 THR OG1 : rot 106:sc= 1.03 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.861 K(o=-0.86,f=-2.2) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.15) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00668 USER MOD Single : A 76 SER OG : rot 40:sc= 0.855 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.503 -28.984 22.118 1.00 0.00 N ATOM 2 CA GLY A 1 2.092 -28.672 21.978 1.00 0.00 C ATOM 3 C GLY A 1 1.797 -27.204 22.212 1.00 0.00 C ATOM 4 O GLY A 1 1.194 -26.838 23.222 1.00 0.00 O ATOM 0 H1 GLY A 1 3.653 -29.999 21.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.051 -28.433 21.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.818 -28.743 23.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.759 -28.952 20.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.519 -29.272 22.685 1.00 0.00 H new ATOM 8 N SER A 2 2.224 -26.360 21.279 1.00 0.00 N ATOM 9 CA SER A 2 2.007 -24.922 21.391 1.00 0.00 C ATOM 10 C SER A 2 0.861 -24.474 20.490 1.00 0.00 C ATOM 11 O SER A 2 0.788 -24.856 19.323 1.00 0.00 O ATOM 12 CB SER A 2 3.284 -24.162 21.028 1.00 0.00 C ATOM 13 OG SER A 2 4.149 -24.054 22.145 1.00 0.00 O ATOM 0 H SER A 2 2.722 -26.647 20.437 1.00 0.00 H new ATOM 0 HA SER A 2 1.742 -24.699 22.424 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.797 -24.675 20.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.028 -23.167 20.665 1.00 0.00 H new ATOM 0 HG SER A 2 4.958 -23.566 21.886 1.00 0.00 H new ATOM 19 N SER A 3 -0.034 -23.660 21.042 1.00 0.00 N ATOM 20 CA SER A 3 -1.180 -23.161 20.291 1.00 0.00 C ATOM 21 C SER A 3 -1.389 -21.671 20.544 1.00 0.00 C ATOM 22 O SER A 3 -1.238 -21.194 21.668 1.00 0.00 O ATOM 23 CB SER A 3 -2.442 -23.937 20.670 1.00 0.00 C ATOM 24 OG SER A 3 -2.311 -25.312 20.352 1.00 0.00 O ATOM 0 H SER A 3 0.013 -23.332 22.007 1.00 0.00 H new ATOM 0 HA SER A 3 -0.978 -23.306 19.230 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.635 -23.824 21.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.301 -23.519 20.145 1.00 0.00 H new ATOM 0 HG SER A 3 -3.130 -25.786 20.606 1.00 0.00 H new ATOM 30 N GLY A 4 -1.739 -20.941 19.490 1.00 0.00 N ATOM 31 CA GLY A 4 -1.964 -19.513 19.618 1.00 0.00 C ATOM 32 C GLY A 4 -3.430 -19.171 19.795 1.00 0.00 C ATOM 33 O GLY A 4 -4.198 -19.185 18.833 1.00 0.00 O ATOM 0 H GLY A 4 -1.871 -21.313 18.549 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.400 -19.134 20.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.580 -19.007 18.732 1.00 0.00 H new ATOM 37 N SER A 5 -3.820 -18.863 21.028 1.00 0.00 N ATOM 38 CA SER A 5 -5.205 -18.521 21.328 1.00 0.00 C ATOM 39 C SER A 5 -5.281 -17.245 22.162 1.00 0.00 C ATOM 40 O SER A 5 -5.257 -17.291 23.392 1.00 0.00 O ATOM 41 CB SER A 5 -5.887 -19.671 22.072 1.00 0.00 C ATOM 42 OG SER A 5 -7.284 -19.673 21.838 1.00 0.00 O ATOM 0 H SER A 5 -3.196 -18.843 21.835 1.00 0.00 H new ATOM 0 HA SER A 5 -5.724 -18.350 20.385 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.460 -20.621 21.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.694 -19.581 23.141 1.00 0.00 H new ATOM 0 HG SER A 5 -7.696 -20.418 22.323 1.00 0.00 H new ATOM 48 N SER A 6 -5.372 -16.106 21.482 1.00 0.00 N ATOM 49 CA SER A 6 -5.448 -14.816 22.159 1.00 0.00 C ATOM 50 C SER A 6 -6.702 -14.056 21.739 1.00 0.00 C ATOM 51 O SER A 6 -7.276 -14.317 20.683 1.00 0.00 O ATOM 52 CB SER A 6 -4.204 -13.981 21.849 1.00 0.00 C ATOM 53 OG SER A 6 -3.021 -14.678 22.202 1.00 0.00 O ATOM 0 H SER A 6 -5.395 -16.050 20.464 1.00 0.00 H new ATOM 0 HA SER A 6 -5.497 -14.998 23.233 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.182 -13.736 20.787 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.250 -13.038 22.393 1.00 0.00 H new ATOM 0 HG SER A 6 -2.240 -14.124 21.993 1.00 0.00 H new ATOM 59 N GLY A 7 -7.122 -13.112 22.577 1.00 0.00 N ATOM 60 CA GLY A 7 -8.305 -12.327 22.277 1.00 0.00 C ATOM 61 C GLY A 7 -8.016 -11.183 21.325 1.00 0.00 C ATOM 62 O GLY A 7 -7.770 -10.057 21.755 1.00 0.00 O ATOM 0 H GLY A 7 -6.664 -12.877 23.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.066 -12.974 21.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.718 -11.929 23.204 1.00 0.00 H new ATOM 66 N ARG A 8 -8.046 -11.473 20.028 1.00 0.00 N ATOM 67 CA ARG A 8 -7.782 -10.461 19.013 1.00 0.00 C ATOM 68 C ARG A 8 -8.612 -10.719 17.759 1.00 0.00 C ATOM 69 O ARG A 8 -8.688 -11.849 17.275 1.00 0.00 O ATOM 70 CB ARG A 8 -6.294 -10.439 18.657 1.00 0.00 C ATOM 71 CG ARG A 8 -5.814 -11.707 17.970 1.00 0.00 C ATOM 72 CD ARG A 8 -4.316 -11.667 17.711 1.00 0.00 C ATOM 73 NE ARG A 8 -3.546 -11.668 18.951 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.247 -10.567 19.632 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.653 -9.383 19.195 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.542 -10.649 20.753 1.00 0.00 N ATOM 0 H ARG A 8 -8.250 -12.400 19.656 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.065 -9.491 19.422 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.097 -9.587 18.007 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.713 -10.287 19.567 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.054 -12.571 18.589 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.344 -11.834 17.026 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.030 -12.527 17.106 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.072 -10.775 17.133 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.219 -12.563 19.315 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.196 -9.316 18.334 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.422 -8.539 19.720 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.229 -11.558 21.093 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.313 -9.803 21.275 1.00 0.00 H new ATOM 90 N ARG A 9 -9.232 -9.665 17.238 1.00 0.00 N ATOM 91 CA ARG A 9 -10.058 -9.779 16.042 1.00 0.00 C ATOM 92 C ARG A 9 -9.230 -9.529 14.785 1.00 0.00 C ATOM 93 O ARG A 9 -8.507 -8.538 14.693 1.00 0.00 O ATOM 94 CB ARG A 9 -11.222 -8.788 16.104 1.00 0.00 C ATOM 95 CG ARG A 9 -12.380 -9.262 16.968 1.00 0.00 C ATOM 96 CD ARG A 9 -13.407 -10.029 16.150 1.00 0.00 C ATOM 97 NE ARG A 9 -12.788 -10.795 15.072 1.00 0.00 N ATOM 98 CZ ARG A 9 -13.380 -11.815 14.461 1.00 0.00 C ATOM 99 NH1 ARG A 9 -14.601 -12.188 14.820 1.00 0.00 N ATOM 100 NH2 ARG A 9 -12.752 -12.463 13.488 1.00 0.00 N ATOM 0 H ARG A 9 -9.178 -8.723 17.625 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.455 -10.793 16.000 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.858 -7.836 16.490 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.586 -8.604 15.093 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.002 -9.898 17.768 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.857 -8.404 17.441 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.959 -10.704 16.803 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.130 -9.330 15.729 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.849 -10.532 14.772 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.087 -11.691 15.567 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.054 -12.972 14.350 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.813 -12.178 13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.208 -13.246 13.020 1.00 0.00 H new ATOM 114 N GLU A 10 -9.342 -10.436 13.819 1.00 0.00 N ATOM 115 CA GLU A 10 -8.603 -10.314 12.568 1.00 0.00 C ATOM 116 C GLU A 10 -9.049 -9.079 11.790 1.00 0.00 C ATOM 117 O GLU A 10 -10.087 -9.090 11.130 1.00 0.00 O ATOM 118 CB GLU A 10 -8.796 -11.567 11.711 1.00 0.00 C ATOM 119 CG GLU A 10 -8.047 -11.522 10.390 1.00 0.00 C ATOM 120 CD GLU A 10 -7.764 -12.904 9.832 1.00 0.00 C ATOM 121 OE1 GLU A 10 -8.730 -13.667 9.622 1.00 0.00 O ATOM 122 OE2 GLU A 10 -6.578 -13.222 9.607 1.00 0.00 O ATOM 0 H GLU A 10 -9.937 -11.262 13.879 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.546 -10.207 12.810 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.466 -12.438 12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.859 -11.700 11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.630 -10.954 9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.106 -10.990 10.528 1.00 0.00 H new ATOM 129 N ASN A 11 -8.257 -8.015 11.875 1.00 0.00 N ATOM 130 CA ASN A 11 -8.571 -6.771 11.181 1.00 0.00 C ATOM 131 C ASN A 11 -7.799 -6.671 9.869 1.00 0.00 C ATOM 132 O ASN A 11 -7.043 -7.575 9.510 1.00 0.00 O ATOM 133 CB ASN A 11 -8.245 -5.570 12.070 1.00 0.00 C ATOM 134 CG ASN A 11 -9.218 -5.423 13.223 1.00 0.00 C ATOM 135 OD1 ASN A 11 -9.749 -6.410 13.732 1.00 0.00 O ATOM 136 ND2 ASN A 11 -9.458 -4.185 13.641 1.00 0.00 N ATOM 0 H ASN A 11 -7.393 -7.989 12.417 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.638 -6.769 10.956 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.234 -5.676 12.463 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.259 -4.661 11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.105 -4.024 14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.996 -3.396 13.190 1.00 0.00 H new ATOM 143 N HIS A 12 -7.995 -5.566 9.156 1.00 0.00 N ATOM 144 CA HIS A 12 -7.316 -5.347 7.884 1.00 0.00 C ATOM 145 C HIS A 12 -6.796 -3.917 7.785 1.00 0.00 C ATOM 146 O HIS A 12 -7.400 -2.989 8.322 1.00 0.00 O ATOM 147 CB HIS A 12 -8.263 -5.639 6.720 1.00 0.00 C ATOM 148 CG HIS A 12 -8.325 -7.088 6.346 1.00 0.00 C ATOM 149 ND1 HIS A 12 -9.483 -7.834 6.411 1.00 0.00 N ATOM 150 CD2 HIS A 12 -7.363 -7.929 5.901 1.00 0.00 C ATOM 151 CE1 HIS A 12 -9.231 -9.071 6.023 1.00 0.00 C ATOM 152 NE2 HIS A 12 -7.951 -9.155 5.707 1.00 0.00 N ATOM 0 H HIS A 12 -8.618 -4.809 9.437 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.467 -6.028 7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.264 -5.297 6.983 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.946 -5.061 5.851 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.326 -7.682 5.730 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.949 -9.876 5.973 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.477 -9.994 5.373 1.00 0.00 H new ATOM 161 N GLN A 13 -5.671 -3.747 7.097 1.00 0.00 N ATOM 162 CA GLN A 13 -5.069 -2.430 6.930 1.00 0.00 C ATOM 163 C GLN A 13 -5.476 -1.810 5.597 1.00 0.00 C ATOM 164 O GLN A 13 -5.592 -2.505 4.586 1.00 0.00 O ATOM 165 CB GLN A 13 -3.545 -2.527 7.016 1.00 0.00 C ATOM 166 CG GLN A 13 -2.825 -1.315 6.449 1.00 0.00 C ATOM 167 CD GLN A 13 -3.047 -0.064 7.276 1.00 0.00 C ATOM 168 OE1 GLN A 13 -3.615 0.918 6.797 1.00 0.00 O ATOM 169 NE2 GLN A 13 -2.600 -0.093 8.526 1.00 0.00 N ATOM 0 H GLN A 13 -5.159 -4.505 6.646 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.431 -1.789 7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.256 -2.656 8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.215 -3.418 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.757 -1.525 6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.168 -1.138 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.135 -0.928 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.722 0.720 9.130 1.00 0.00 H new ATOM 178 N THR A 14 -5.693 -0.499 5.601 1.00 0.00 N ATOM 179 CA THR A 14 -6.089 0.214 4.393 1.00 0.00 C ATOM 180 C THR A 14 -4.931 1.032 3.833 1.00 0.00 C ATOM 181 O THR A 14 -4.324 1.834 4.543 1.00 0.00 O ATOM 182 CB THR A 14 -7.282 1.152 4.659 1.00 0.00 C ATOM 183 OG1 THR A 14 -7.709 1.761 3.436 1.00 0.00 O ATOM 184 CG2 THR A 14 -6.909 2.230 5.666 1.00 0.00 C ATOM 0 H THR A 14 -5.601 0.091 6.428 1.00 0.00 H new ATOM 0 HA THR A 14 -6.385 -0.541 3.664 1.00 0.00 H new ATOM 0 HB THR A 14 -8.097 0.558 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.469 2.354 3.614 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.767 2.880 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.613 1.763 6.606 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.079 2.820 5.277 1.00 0.00 H new ATOM 192 N ILE A 15 -4.629 0.823 2.556 1.00 0.00 N ATOM 193 CA ILE A 15 -3.544 1.543 1.900 1.00 0.00 C ATOM 194 C ILE A 15 -3.427 2.967 2.434 1.00 0.00 C ATOM 195 O ILE A 15 -2.392 3.353 2.976 1.00 0.00 O ATOM 196 CB ILE A 15 -3.743 1.593 0.374 1.00 0.00 C ATOM 197 CG1 ILE A 15 -3.085 0.381 -0.288 1.00 0.00 C ATOM 198 CG2 ILE A 15 -3.174 2.886 -0.192 1.00 0.00 C ATOM 199 CD1 ILE A 15 -3.904 -0.886 -0.178 1.00 0.00 C ATOM 0 H ILE A 15 -5.120 0.161 1.955 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.626 0.999 2.120 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.812 1.565 0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.912 0.602 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.109 0.214 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.322 2.907 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.684 3.737 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.108 2.942 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.377 -1.704 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.055 -1.131 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.871 -0.737 -0.659 1.00 0.00 H new ATOM 211 N GLN A 16 -4.496 3.741 2.277 1.00 0.00 N ATOM 212 CA GLN A 16 -4.514 5.122 2.745 1.00 0.00 C ATOM 213 C GLN A 16 -3.689 5.276 4.018 1.00 0.00 C ATOM 214 O GLN A 16 -2.687 5.990 4.036 1.00 0.00 O ATOM 215 CB GLN A 16 -5.952 5.579 2.996 1.00 0.00 C ATOM 216 CG GLN A 16 -6.703 5.951 1.727 1.00 0.00 C ATOM 217 CD GLN A 16 -8.186 5.655 1.819 1.00 0.00 C ATOM 218 OE1 GLN A 16 -8.944 6.407 2.433 1.00 0.00 O ATOM 219 NE2 GLN A 16 -8.610 4.554 1.209 1.00 0.00 N ATOM 0 H GLN A 16 -5.360 3.436 1.830 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.072 5.748 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.493 4.783 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.939 6.439 3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.560 7.012 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.279 5.404 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.947 3.959 0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.598 4.303 1.238 1.00 0.00 H new ATOM 228 N GLU A 17 -4.118 4.602 5.081 1.00 0.00 N ATOM 229 CA GLU A 17 -3.418 4.666 6.358 1.00 0.00 C ATOM 230 C GLU A 17 -2.039 4.021 6.257 1.00 0.00 C ATOM 231 O GLU A 17 -1.044 4.580 6.718 1.00 0.00 O ATOM 232 CB GLU A 17 -4.238 3.973 7.449 1.00 0.00 C ATOM 233 CG GLU A 17 -5.549 4.674 7.762 1.00 0.00 C ATOM 234 CD GLU A 17 -5.393 6.177 7.885 1.00 0.00 C ATOM 235 OE1 GLU A 17 -5.324 6.855 6.839 1.00 0.00 O ATOM 236 OE2 GLU A 17 -5.338 6.676 9.029 1.00 0.00 O ATOM 0 H GLU A 17 -4.946 4.006 5.083 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.290 5.716 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.448 2.949 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.641 3.914 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.272 4.451 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.955 4.277 8.692 1.00 0.00 H new ATOM 243 N PHE A 18 -1.988 2.840 5.650 1.00 0.00 N ATOM 244 CA PHE A 18 -0.732 2.117 5.489 1.00 0.00 C ATOM 245 C PHE A 18 0.342 3.019 4.889 1.00 0.00 C ATOM 246 O PHE A 18 1.538 2.792 5.078 1.00 0.00 O ATOM 247 CB PHE A 18 -0.937 0.888 4.599 1.00 0.00 C ATOM 248 CG PHE A 18 0.290 0.497 3.826 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.378 -0.071 4.468 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.355 0.699 2.456 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.508 -0.433 3.759 1.00 0.00 C ATOM 252 CE2 PHE A 18 1.482 0.340 1.742 1.00 0.00 C ATOM 253 CZ PHE A 18 2.561 -0.226 2.394 1.00 0.00 C ATOM 0 H PHE A 18 -2.802 2.363 5.262 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.400 1.792 6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.249 0.048 5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.749 1.087 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.343 -0.233 5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.485 1.142 1.941 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.349 -0.877 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.520 0.502 0.675 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.444 -0.506 1.838 1.00 0.00 H new ATOM 263 N LEU A 19 -0.092 4.044 4.164 1.00 0.00 N ATOM 264 CA LEU A 19 0.831 4.983 3.535 1.00 0.00 C ATOM 265 C LEU A 19 1.160 6.137 4.476 1.00 0.00 C ATOM 266 O LEU A 19 2.311 6.560 4.575 1.00 0.00 O ATOM 267 CB LEU A 19 0.232 5.524 2.236 1.00 0.00 C ATOM 268 CG LEU A 19 -0.076 4.487 1.155 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.820 5.129 -0.005 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.206 3.826 0.670 1.00 0.00 C ATOM 0 H LEU A 19 -1.078 4.246 3.997 1.00 0.00 H new ATOM 0 HA LEU A 19 1.754 4.450 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.690 6.053 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.921 6.259 1.820 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.716 3.718 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.030 4.375 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.757 5.554 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.206 5.919 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.968 3.091 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.871 4.583 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.698 3.330 1.506 1.00 0.00 H new ATOM 282 N GLU A 20 0.141 6.639 5.167 1.00 0.00 N ATOM 283 CA GLU A 20 0.323 7.744 6.102 1.00 0.00 C ATOM 284 C GLU A 20 1.504 7.480 7.031 1.00 0.00 C ATOM 285 O GLU A 20 2.231 8.401 7.404 1.00 0.00 O ATOM 286 CB GLU A 20 -0.949 7.960 6.924 1.00 0.00 C ATOM 287 CG GLU A 20 -2.155 8.352 6.088 1.00 0.00 C ATOM 288 CD GLU A 20 -3.214 9.077 6.895 1.00 0.00 C ATOM 289 OE1 GLU A 20 -3.339 8.791 8.104 1.00 0.00 O ATOM 290 OE2 GLU A 20 -3.919 9.931 6.317 1.00 0.00 O ATOM 0 H GLU A 20 -0.818 6.299 5.097 1.00 0.00 H new ATOM 0 HA GLU A 20 0.531 8.645 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.178 7.045 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.764 8.737 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.830 8.990 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.591 7.457 5.644 1.00 0.00 H new ATOM 297 N ARG A 21 1.688 6.217 7.402 1.00 0.00 N ATOM 298 CA ARG A 21 2.779 5.832 8.289 1.00 0.00 C ATOM 299 C ARG A 21 4.130 6.034 7.609 1.00 0.00 C ATOM 300 O ARG A 21 5.067 6.560 8.211 1.00 0.00 O ATOM 301 CB ARG A 21 2.625 4.372 8.717 1.00 0.00 C ATOM 302 CG ARG A 21 3.266 3.384 7.756 1.00 0.00 C ATOM 303 CD ARG A 21 3.228 1.967 8.306 1.00 0.00 C ATOM 304 NE ARG A 21 1.863 1.457 8.412 1.00 0.00 N ATOM 305 CZ ARG A 21 1.558 0.281 8.949 1.00 0.00 C ATOM 306 NH1 ARG A 21 2.515 -0.502 9.426 1.00 0.00 N ATOM 307 NH2 ARG A 21 0.292 -0.113 9.009 1.00 0.00 N ATOM 0 H ARG A 21 1.095 5.443 7.102 1.00 0.00 H new ATOM 0 HA ARG A 21 2.738 6.469 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.067 4.243 9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.564 4.139 8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.747 3.418 6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.300 3.675 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.811 1.311 7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.700 1.947 9.288 1.00 0.00 H new ATOM 0 HE ARG A 21 1.103 2.035 8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.489 -0.202 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.278 -1.404 9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.447 0.487 8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.058 -1.016 9.421 1.00 0.00 H new ATOM 321 N ILE A 22 4.223 5.613 6.352 1.00 0.00 N ATOM 322 CA ILE A 22 5.458 5.748 5.591 1.00 0.00 C ATOM 323 C ILE A 22 5.491 7.066 4.825 1.00 0.00 C ATOM 324 O ILE A 22 6.459 7.367 4.126 1.00 0.00 O ATOM 325 CB ILE A 22 5.637 4.586 4.596 1.00 0.00 C ATOM 326 CG1 ILE A 22 4.399 4.451 3.707 1.00 0.00 C ATOM 327 CG2 ILE A 22 5.904 3.287 5.342 1.00 0.00 C ATOM 328 CD1 ILE A 22 4.599 3.526 2.527 1.00 0.00 C ATOM 0 H ILE A 22 3.457 5.176 5.839 1.00 0.00 H new ATOM 0 HA ILE A 22 6.275 5.728 6.312 1.00 0.00 H new ATOM 0 HB ILE A 22 6.496 4.801 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.568 4.084 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.116 5.438 3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.028 2.475 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.812 3.389 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.063 3.065 5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.681 3.479 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.409 3.903 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.852 2.528 2.886 1.00 0.00 H new ATOM 340 N HIS A 23 4.426 7.851 4.963 1.00 0.00 N ATOM 341 CA HIS A 23 4.334 9.140 4.286 1.00 0.00 C ATOM 342 C HIS A 23 4.294 8.956 2.772 1.00 0.00 C ATOM 343 O HIS A 23 5.004 9.641 2.034 1.00 0.00 O ATOM 344 CB HIS A 23 5.516 10.029 4.673 1.00 0.00 C ATOM 345 CG HIS A 23 5.251 10.893 5.867 1.00 0.00 C ATOM 346 ND1 HIS A 23 5.510 12.247 5.889 1.00 0.00 N ATOM 347 CD2 HIS A 23 4.744 10.588 7.085 1.00 0.00 C ATOM 348 CE1 HIS A 23 5.176 12.738 7.069 1.00 0.00 C ATOM 349 NE2 HIS A 23 4.708 11.752 7.813 1.00 0.00 N ATOM 0 H HIS A 23 3.616 7.617 5.537 1.00 0.00 H new ATOM 0 HA HIS A 23 3.409 9.623 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.382 9.399 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.775 10.664 3.826 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.427 9.612 7.421 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.270 13.770 7.374 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.374 11.841 8.773 1.00 0.00 H new ATOM 358 N LEU A 24 3.460 8.029 2.315 1.00 0.00 N ATOM 359 CA LEU A 24 3.327 7.754 0.889 1.00 0.00 C ATOM 360 C LEU A 24 1.890 7.967 0.425 1.00 0.00 C ATOM 361 O LEU A 24 1.518 7.565 -0.677 1.00 0.00 O ATOM 362 CB LEU A 24 3.768 6.322 0.581 1.00 0.00 C ATOM 363 CG LEU A 24 5.252 6.129 0.268 1.00 0.00 C ATOM 364 CD1 LEU A 24 5.650 6.941 -0.955 1.00 0.00 C ATOM 365 CD2 LEU A 24 6.105 6.515 1.468 1.00 0.00 C ATOM 0 H LEU A 24 2.865 7.454 2.912 1.00 0.00 H new ATOM 0 HA LEU A 24 3.970 8.449 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.512 5.693 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.188 5.959 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 24 5.423 5.075 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.710 6.791 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.063 6.617 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.463 7.998 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.158 6.371 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.929 7.561 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.839 5.889 2.320 1.00 0.00 H new ATOM 377 N GLN A 25 1.088 8.604 1.272 1.00 0.00 N ATOM 378 CA GLN A 25 -0.308 8.871 0.947 1.00 0.00 C ATOM 379 C GLN A 25 -0.423 9.654 -0.357 1.00 0.00 C ATOM 380 O GLN A 25 -1.508 9.772 -0.926 1.00 0.00 O ATOM 381 CB GLN A 25 -0.978 9.647 2.083 1.00 0.00 C ATOM 382 CG GLN A 25 -0.326 10.990 2.370 1.00 0.00 C ATOM 383 CD GLN A 25 0.974 10.855 3.137 1.00 0.00 C ATOM 384 OE1 GLN A 25 2.059 10.893 2.555 1.00 0.00 O ATOM 385 NE2 GLN A 25 0.872 10.696 4.452 1.00 0.00 N ATOM 0 H GLN A 25 1.381 8.945 2.188 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.815 7.915 0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.027 9.808 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.956 9.041 2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.136 11.506 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.017 11.611 2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.047 10.670 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.713 10.600 5.021 1.00 0.00 H new ATOM 394 N GLU A 26 0.702 10.186 -0.823 1.00 0.00 N ATOM 395 CA GLU A 26 0.725 10.959 -2.059 1.00 0.00 C ATOM 396 C GLU A 26 0.502 10.056 -3.269 1.00 0.00 C ATOM 397 O GLU A 26 0.320 10.535 -4.389 1.00 0.00 O ATOM 398 CB GLU A 26 2.058 11.698 -2.200 1.00 0.00 C ATOM 399 CG GLU A 26 3.248 10.774 -2.399 1.00 0.00 C ATOM 400 CD GLU A 26 4.478 11.507 -2.898 1.00 0.00 C ATOM 401 OE1 GLU A 26 5.080 12.262 -2.105 1.00 0.00 O ATOM 402 OE2 GLU A 26 4.839 11.327 -4.080 1.00 0.00 O ATOM 0 H GLU A 26 1.608 10.096 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.084 11.688 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.996 12.384 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.224 12.304 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.482 10.280 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.982 9.993 -3.111 1.00 0.00 H new ATOM 409 N TYR A 27 0.517 8.749 -3.035 1.00 0.00 N ATOM 410 CA TYR A 27 0.320 7.779 -4.105 1.00 0.00 C ATOM 411 C TYR A 27 -1.028 7.078 -3.963 1.00 0.00 C ATOM 412 O TYR A 27 -1.460 6.347 -4.856 1.00 0.00 O ATOM 413 CB TYR A 27 1.447 6.745 -4.100 1.00 0.00 C ATOM 414 CG TYR A 27 2.807 7.331 -4.407 1.00 0.00 C ATOM 415 CD1 TYR A 27 3.257 7.445 -5.716 1.00 0.00 C ATOM 416 CD2 TYR A 27 3.641 7.772 -3.387 1.00 0.00 C ATOM 417 CE1 TYR A 27 4.499 7.979 -6.001 1.00 0.00 C ATOM 418 CE2 TYR A 27 4.884 8.309 -3.662 1.00 0.00 C ATOM 419 CZ TYR A 27 5.309 8.410 -4.971 1.00 0.00 C ATOM 420 OH TYR A 27 6.546 8.944 -5.250 1.00 0.00 O ATOM 0 H TYR A 27 0.664 8.337 -2.114 1.00 0.00 H new ATOM 0 HA TYR A 27 0.333 8.316 -5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.481 6.261 -3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.221 5.970 -4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.625 7.110 -6.525 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.312 7.694 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.834 8.059 -7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.519 8.648 -2.857 1.00 0.00 H new ATOM 0 HH TYR A 27 6.647 9.798 -4.780 1.00 0.00 H new ATOM 430 N THR A 28 -1.690 7.306 -2.833 1.00 0.00 N ATOM 431 CA THR A 28 -2.988 6.698 -2.571 1.00 0.00 C ATOM 432 C THR A 28 -3.818 6.604 -3.846 1.00 0.00 C ATOM 433 O THR A 28 -4.016 5.518 -4.391 1.00 0.00 O ATOM 434 CB THR A 28 -3.779 7.493 -1.515 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.955 7.738 -0.369 1.00 0.00 O ATOM 436 CG2 THR A 28 -5.030 6.737 -1.094 1.00 0.00 C ATOM 0 H THR A 28 -1.348 7.908 -2.084 1.00 0.00 H new ATOM 0 HA THR A 28 -2.796 5.695 -2.190 1.00 0.00 H new ATOM 0 HB THR A 28 -4.079 8.443 -1.956 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.677 8.678 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.572 7.318 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.668 6.577 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.747 5.774 -0.669 1.00 0.00 H new ATOM 444 N SER A 29 -4.302 7.748 -4.318 1.00 0.00 N ATOM 445 CA SER A 29 -5.114 7.794 -5.528 1.00 0.00 C ATOM 446 C SER A 29 -4.533 6.885 -6.607 1.00 0.00 C ATOM 447 O SER A 29 -5.239 6.057 -7.184 1.00 0.00 O ATOM 448 CB SER A 29 -5.207 9.229 -6.051 1.00 0.00 C ATOM 449 OG SER A 29 -3.929 9.838 -6.100 1.00 0.00 O ATOM 0 H SER A 29 -4.146 8.656 -3.881 1.00 0.00 H new ATOM 0 HA SER A 29 -6.114 7.440 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.651 9.228 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.866 9.812 -5.408 1.00 0.00 H new ATOM 0 HG SER A 29 -4.016 10.753 -6.439 1.00 0.00 H new ATOM 455 N THR A 30 -3.241 7.044 -6.874 1.00 0.00 N ATOM 456 CA THR A 30 -2.564 6.240 -7.883 1.00 0.00 C ATOM 457 C THR A 30 -2.762 4.751 -7.623 1.00 0.00 C ATOM 458 O THR A 30 -2.937 3.965 -8.556 1.00 0.00 O ATOM 459 CB THR A 30 -1.055 6.546 -7.926 1.00 0.00 C ATOM 460 OG1 THR A 30 -0.841 7.905 -8.322 1.00 0.00 O ATOM 461 CG2 THR A 30 -0.341 5.613 -8.893 1.00 0.00 C ATOM 0 H THR A 30 -2.642 7.723 -6.405 1.00 0.00 H new ATOM 0 HA THR A 30 -3.007 6.500 -8.844 1.00 0.00 H new ATOM 0 HB THR A 30 -0.647 6.391 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.121 8.091 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.723 5.848 -8.906 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.481 4.581 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.754 5.741 -9.894 1.00 0.00 H new ATOM 469 N LEU A 31 -2.735 4.369 -6.351 1.00 0.00 N ATOM 470 CA LEU A 31 -2.912 2.972 -5.968 1.00 0.00 C ATOM 471 C LEU A 31 -4.374 2.555 -6.094 1.00 0.00 C ATOM 472 O LEU A 31 -4.696 1.578 -6.771 1.00 0.00 O ATOM 473 CB LEU A 31 -2.428 2.751 -4.534 1.00 0.00 C ATOM 474 CG LEU A 31 -0.925 2.909 -4.301 1.00 0.00 C ATOM 475 CD1 LEU A 31 -0.653 3.387 -2.884 1.00 0.00 C ATOM 476 CD2 LEU A 31 -0.203 1.597 -4.572 1.00 0.00 C ATOM 0 H LEU A 31 -2.592 5.006 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.318 2.357 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.952 3.451 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.720 1.748 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.545 3.659 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.422 3.494 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.139 4.350 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.047 2.661 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.866 1.728 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.586 0.826 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.371 1.296 -5.606 1.00 0.00 H new ATOM 488 N LEU A 32 -5.256 3.302 -5.439 1.00 0.00 N ATOM 489 CA LEU A 32 -6.685 3.012 -5.479 1.00 0.00 C ATOM 490 C LEU A 32 -7.191 2.964 -6.917 1.00 0.00 C ATOM 491 O LEU A 32 -7.723 1.948 -7.366 1.00 0.00 O ATOM 492 CB LEU A 32 -7.462 4.065 -4.688 1.00 0.00 C ATOM 493 CG LEU A 32 -6.969 4.336 -3.266 1.00 0.00 C ATOM 494 CD1 LEU A 32 -7.719 5.509 -2.655 1.00 0.00 C ATOM 495 CD2 LEU A 32 -7.124 3.093 -2.402 1.00 0.00 C ATOM 0 H LEU A 32 -5.006 4.113 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.845 2.034 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.435 5.002 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.506 3.755 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.911 4.593 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.354 5.687 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.556 6.400 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.785 5.282 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.768 3.304 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.175 2.805 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.540 2.278 -2.829 1.00 0.00 H new ATOM 507 N LEU A 33 -7.019 4.067 -7.637 1.00 0.00 N ATOM 508 CA LEU A 33 -7.456 4.151 -9.026 1.00 0.00 C ATOM 509 C LEU A 33 -7.034 2.909 -9.805 1.00 0.00 C ATOM 510 O LEU A 33 -7.798 2.383 -10.613 1.00 0.00 O ATOM 511 CB LEU A 33 -6.878 5.403 -9.688 1.00 0.00 C ATOM 512 CG LEU A 33 -7.720 6.674 -9.569 1.00 0.00 C ATOM 513 CD1 LEU A 33 -6.952 7.874 -10.102 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.039 6.511 -10.310 1.00 0.00 C ATOM 0 H LEU A 33 -6.580 4.916 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.544 4.212 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.897 5.599 -9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.723 5.192 -10.746 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.937 6.846 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.566 8.770 -10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.034 8.003 -9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.704 7.711 -11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.625 7.425 -10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.842 6.314 -11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.596 5.677 -9.883 1.00 0.00 H new ATOM 526 N ASN A 34 -5.814 2.446 -9.555 1.00 0.00 N ATOM 527 CA ASN A 34 -5.291 1.264 -10.231 1.00 0.00 C ATOM 528 C ASN A 34 -6.002 0.003 -9.751 1.00 0.00 C ATOM 529 O ASN A 34 -6.174 -0.952 -10.507 1.00 0.00 O ATOM 530 CB ASN A 34 -3.786 1.138 -9.991 1.00 0.00 C ATOM 531 CG ASN A 34 -2.969 1.866 -11.042 1.00 0.00 C ATOM 532 OD1 ASN A 34 -2.319 1.242 -11.880 1.00 0.00 O ATOM 533 ND2 ASN A 34 -3.001 3.193 -11.000 1.00 0.00 N ATOM 0 H ASN A 34 -5.169 2.871 -8.889 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.473 1.377 -11.300 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.543 1.537 -9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.509 0.084 -9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.472 3.738 -11.681 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.554 3.667 -10.287 1.00 0.00 H new ATOM 540 N GLY A 35 -6.415 0.008 -8.487 1.00 0.00 N ATOM 541 CA GLY A 35 -7.103 -1.141 -7.927 1.00 0.00 C ATOM 542 C GLY A 35 -6.708 -1.408 -6.488 1.00 0.00 C ATOM 543 O GLY A 35 -7.542 -1.797 -5.670 1.00 0.00 O ATOM 0 H GLY A 35 -6.286 0.787 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.179 -0.978 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.883 -2.022 -8.530 1.00 0.00 H new ATOM 547 N TYR A 36 -5.433 -1.202 -6.178 1.00 0.00 N ATOM 548 CA TYR A 36 -4.928 -1.427 -4.829 1.00 0.00 C ATOM 549 C TYR A 36 -5.753 -0.657 -3.803 1.00 0.00 C ATOM 550 O TYR A 36 -5.464 0.501 -3.502 1.00 0.00 O ATOM 551 CB TYR A 36 -3.459 -1.012 -4.736 1.00 0.00 C ATOM 552 CG TYR A 36 -2.544 -1.817 -5.630 1.00 0.00 C ATOM 553 CD1 TYR A 36 -2.022 -3.034 -5.209 1.00 0.00 C ATOM 554 CD2 TYR A 36 -2.201 -1.361 -6.897 1.00 0.00 C ATOM 555 CE1 TYR A 36 -1.185 -3.772 -6.022 1.00 0.00 C ATOM 556 CE2 TYR A 36 -1.366 -2.094 -7.718 1.00 0.00 C ATOM 557 CZ TYR A 36 -0.860 -3.298 -7.276 1.00 0.00 C ATOM 558 OH TYR A 36 -0.028 -4.032 -8.090 1.00 0.00 O ATOM 0 H TYR A 36 -4.730 -0.879 -6.843 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.012 -2.491 -4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.371 0.043 -4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.126 -1.114 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.275 -3.409 -4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.594 -0.417 -7.246 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.787 -4.715 -5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.111 -1.726 -8.701 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.542 -4.396 -8.840 1.00 0.00 H new ATOM 568 N GLU A 37 -6.780 -1.309 -3.268 1.00 0.00 N ATOM 569 CA GLU A 37 -7.647 -0.685 -2.276 1.00 0.00 C ATOM 570 C GLU A 37 -7.174 -1.006 -0.861 1.00 0.00 C ATOM 571 O GLU A 37 -7.140 -0.135 0.008 1.00 0.00 O ATOM 572 CB GLU A 37 -9.092 -1.154 -2.461 1.00 0.00 C ATOM 573 CG GLU A 37 -9.880 -0.320 -3.457 1.00 0.00 C ATOM 574 CD GLU A 37 -11.358 -0.659 -3.461 1.00 0.00 C ATOM 575 OE1 GLU A 37 -11.710 -1.788 -3.060 1.00 0.00 O ATOM 576 OE2 GLU A 37 -12.163 0.207 -3.865 1.00 0.00 O ATOM 0 H GLU A 37 -7.032 -2.269 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.602 0.395 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.088 -2.193 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.600 -1.129 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.754 0.737 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.473 -0.474 -4.456 1.00 0.00 H new ATOM 583 N THR A 38 -6.810 -2.265 -0.637 1.00 0.00 N ATOM 584 CA THR A 38 -6.341 -2.703 0.672 1.00 0.00 C ATOM 585 C THR A 38 -5.057 -3.517 0.551 1.00 0.00 C ATOM 586 O THR A 38 -4.670 -3.927 -0.545 1.00 0.00 O ATOM 587 CB THR A 38 -7.405 -3.549 1.396 1.00 0.00 C ATOM 588 OG1 THR A 38 -7.716 -4.713 0.623 1.00 0.00 O ATOM 589 CG2 THR A 38 -8.670 -2.738 1.633 1.00 0.00 C ATOM 0 H THR A 38 -6.831 -2.999 -1.345 1.00 0.00 H new ATOM 0 HA THR A 38 -6.145 -1.803 1.255 1.00 0.00 H new ATOM 0 HB THR A 38 -7.000 -3.853 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.392 -5.246 1.092 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.407 -3.356 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.435 -1.869 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.075 -2.408 0.676 1.00 0.00 H new ATOM 597 N LEU A 39 -4.401 -3.750 1.682 1.00 0.00 N ATOM 598 CA LEU A 39 -3.160 -4.516 1.703 1.00 0.00 C ATOM 599 C LEU A 39 -3.297 -5.796 0.884 1.00 0.00 C ATOM 600 O LEU A 39 -2.362 -6.207 0.196 1.00 0.00 O ATOM 601 CB LEU A 39 -2.773 -4.858 3.143 1.00 0.00 C ATOM 602 CG LEU A 39 -2.270 -3.694 3.998 1.00 0.00 C ATOM 603 CD1 LEU A 39 -1.397 -4.204 5.134 1.00 0.00 C ATOM 604 CD2 LEU A 39 -1.505 -2.696 3.141 1.00 0.00 C ATOM 0 H LEU A 39 -4.708 -3.419 2.597 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.376 -3.903 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.640 -5.297 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.999 -5.625 3.118 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.132 -3.186 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.048 -3.362 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.976 -4.880 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.539 -4.737 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.154 -1.874 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.651 -3.192 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.161 -2.306 2.363 1.00 0.00 H new ATOM 616 N ASP A 40 -4.467 -6.420 0.962 1.00 0.00 N ATOM 617 CA ASP A 40 -4.727 -7.651 0.225 1.00 0.00 C ATOM 618 C ASP A 40 -4.236 -7.537 -1.215 1.00 0.00 C ATOM 619 O ASP A 40 -3.759 -8.511 -1.798 1.00 0.00 O ATOM 620 CB ASP A 40 -6.222 -7.974 0.242 1.00 0.00 C ATOM 621 CG ASP A 40 -6.536 -9.296 -0.431 1.00 0.00 C ATOM 622 OD1 ASP A 40 -6.653 -9.315 -1.674 1.00 0.00 O ATOM 623 OD2 ASP A 40 -6.666 -10.311 0.285 1.00 0.00 O ATOM 0 H ASP A 40 -5.250 -6.094 1.528 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.182 -8.459 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.573 -8.002 1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.769 -7.175 -0.259 1.00 0.00 H new ATOM 628 N ASP A 41 -4.357 -6.342 -1.783 1.00 0.00 N ATOM 629 CA ASP A 41 -3.925 -6.100 -3.155 1.00 0.00 C ATOM 630 C ASP A 41 -2.415 -5.887 -3.220 1.00 0.00 C ATOM 631 O ASP A 41 -1.757 -6.320 -4.167 1.00 0.00 O ATOM 632 CB ASP A 41 -4.649 -4.883 -3.733 1.00 0.00 C ATOM 633 CG ASP A 41 -5.945 -5.256 -4.424 1.00 0.00 C ATOM 634 OD1 ASP A 41 -6.526 -6.304 -4.072 1.00 0.00 O ATOM 635 OD2 ASP A 41 -6.380 -4.500 -5.319 1.00 0.00 O ATOM 0 H ASP A 41 -4.751 -5.526 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.176 -6.979 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.859 -4.174 -2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.994 -4.378 -4.443 1.00 0.00 H new ATOM 640 N LEU A 42 -1.873 -5.218 -2.208 1.00 0.00 N ATOM 641 CA LEU A 42 -0.441 -4.947 -2.151 1.00 0.00 C ATOM 642 C LEU A 42 0.353 -6.241 -2.002 1.00 0.00 C ATOM 643 O LEU A 42 1.468 -6.360 -2.509 1.00 0.00 O ATOM 644 CB LEU A 42 -0.127 -4.005 -0.987 1.00 0.00 C ATOM 645 CG LEU A 42 -0.555 -2.549 -1.167 1.00 0.00 C ATOM 646 CD1 LEU A 42 -0.591 -1.833 0.174 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.381 -1.833 -2.131 1.00 0.00 C ATOM 0 H LEU A 42 -2.403 -4.854 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.149 -4.469 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.608 -4.396 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.948 -4.027 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.560 -2.536 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.898 -0.798 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.302 -2.331 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.401 -1.856 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.061 -0.798 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.397 -1.857 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.356 -2.331 -3.100 1.00 0.00 H new ATOM 659 N LYS A 43 -0.231 -7.210 -1.304 1.00 0.00 N ATOM 660 CA LYS A 43 0.419 -8.497 -1.090 1.00 0.00 C ATOM 661 C LYS A 43 0.865 -9.108 -2.415 1.00 0.00 C ATOM 662 O LYS A 43 1.701 -10.011 -2.442 1.00 0.00 O ATOM 663 CB LYS A 43 -0.529 -9.457 -0.367 1.00 0.00 C ATOM 664 CG LYS A 43 -1.437 -10.235 -1.304 1.00 0.00 C ATOM 665 CD LYS A 43 -2.625 -10.827 -0.564 1.00 0.00 C ATOM 666 CE LYS A 43 -2.209 -12.002 0.308 1.00 0.00 C ATOM 667 NZ LYS A 43 -3.315 -12.984 0.479 1.00 0.00 N ATOM 0 H LYS A 43 -1.154 -7.128 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 43 1.301 -8.332 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.059 -10.160 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.143 -8.890 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.792 -9.577 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.870 -11.034 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.089 -10.059 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.377 -11.154 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.348 -12.499 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.894 -11.636 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.992 -13.770 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.128 -12.516 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.599 -13.353 -0.451 1.00 0.00 H new ATOM 681 N ASP A 44 0.303 -8.609 -3.510 1.00 0.00 N ATOM 682 CA ASP A 44 0.645 -9.104 -4.839 1.00 0.00 C ATOM 683 C ASP A 44 1.318 -8.015 -5.668 1.00 0.00 C ATOM 684 O ASP A 44 1.197 -7.990 -6.893 1.00 0.00 O ATOM 685 CB ASP A 44 -0.608 -9.607 -5.557 1.00 0.00 C ATOM 686 CG ASP A 44 -0.287 -10.609 -6.648 1.00 0.00 C ATOM 687 OD1 ASP A 44 -0.042 -11.788 -6.318 1.00 0.00 O ATOM 688 OD2 ASP A 44 -0.280 -10.214 -7.833 1.00 0.00 O ATOM 0 H ASP A 44 -0.392 -7.862 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 44 1.345 -9.932 -4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.279 -10.067 -4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.139 -8.760 -5.991 1.00 0.00 H new ATOM 693 N ILE A 45 2.027 -7.117 -4.992 1.00 0.00 N ATOM 694 CA ILE A 45 2.719 -6.026 -5.666 1.00 0.00 C ATOM 695 C ILE A 45 4.219 -6.290 -5.742 1.00 0.00 C ATOM 696 O ILE A 45 4.798 -6.911 -4.850 1.00 0.00 O ATOM 697 CB ILE A 45 2.482 -4.682 -4.953 1.00 0.00 C ATOM 698 CG1 ILE A 45 2.886 -3.519 -5.861 1.00 0.00 C ATOM 699 CG2 ILE A 45 3.256 -4.633 -3.644 1.00 0.00 C ATOM 700 CD1 ILE A 45 2.087 -2.258 -5.620 1.00 0.00 C ATOM 0 H ILE A 45 2.137 -7.124 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 45 2.310 -5.970 -6.675 1.00 0.00 H new ATOM 0 HB ILE A 45 1.419 -4.590 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.944 -3.303 -5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.766 -3.822 -6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.078 -3.677 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.924 -5.443 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.321 -4.744 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.428 -1.476 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.030 -2.457 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.226 -1.930 -4.590 1.00 0.00 H new ATOM 712 N LYS A 46 4.845 -5.814 -6.813 1.00 0.00 N ATOM 713 CA LYS A 46 6.278 -5.995 -7.006 1.00 0.00 C ATOM 714 C LYS A 46 6.962 -4.661 -7.289 1.00 0.00 C ATOM 715 O LYS A 46 6.346 -3.740 -7.824 1.00 0.00 O ATOM 716 CB LYS A 46 6.540 -6.969 -8.157 1.00 0.00 C ATOM 717 CG LYS A 46 5.904 -8.333 -7.956 1.00 0.00 C ATOM 718 CD LYS A 46 6.823 -9.270 -7.191 1.00 0.00 C ATOM 719 CE LYS A 46 7.945 -9.794 -8.074 1.00 0.00 C ATOM 720 NZ LYS A 46 9.087 -10.313 -7.272 1.00 0.00 N ATOM 0 H LYS A 46 4.381 -5.299 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 46 6.693 -6.408 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.163 -6.534 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.616 -7.094 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.965 -8.221 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.663 -8.769 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.247 -8.746 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.246 -10.107 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.562 -10.588 -8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.294 -8.996 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.830 -10.661 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.470 -9.550 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.760 -11.092 -6.666 1.00 0.00 H new ATOM 734 N GLU A 47 8.238 -4.566 -6.929 1.00 0.00 N ATOM 735 CA GLU A 47 9.004 -3.345 -7.146 1.00 0.00 C ATOM 736 C GLU A 47 8.658 -2.718 -8.493 1.00 0.00 C ATOM 737 O GLU A 47 8.552 -1.497 -8.613 1.00 0.00 O ATOM 738 CB GLU A 47 10.504 -3.638 -7.078 1.00 0.00 C ATOM 739 CG GLU A 47 11.363 -2.392 -6.941 1.00 0.00 C ATOM 740 CD GLU A 47 12.847 -2.700 -6.969 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.328 -3.389 -6.044 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.528 -2.253 -7.915 1.00 0.00 O ATOM 0 H GLU A 47 8.763 -5.320 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 47 8.743 -2.639 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.699 -4.298 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.801 -4.177 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.124 -1.700 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.118 -1.888 -6.006 1.00 0.00 H new ATOM 749 N SER A 48 8.483 -3.562 -9.505 1.00 0.00 N ATOM 750 CA SER A 48 8.154 -3.091 -10.845 1.00 0.00 C ATOM 751 C SER A 48 6.817 -2.355 -10.848 1.00 0.00 C ATOM 752 O SER A 48 6.718 -1.228 -11.335 1.00 0.00 O ATOM 753 CB SER A 48 8.104 -4.266 -11.823 1.00 0.00 C ATOM 754 OG SER A 48 9.281 -5.050 -11.739 1.00 0.00 O ATOM 0 H SER A 48 8.564 -4.575 -9.422 1.00 0.00 H new ATOM 0 HA SER A 48 8.933 -2.397 -11.162 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.234 -4.886 -11.607 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.984 -3.892 -12.840 1.00 0.00 H new ATOM 0 HG SER A 48 9.223 -5.795 -12.373 1.00 0.00 H new ATOM 760 N HIS A 49 5.792 -3.000 -10.302 1.00 0.00 N ATOM 761 CA HIS A 49 4.461 -2.407 -10.241 1.00 0.00 C ATOM 762 C HIS A 49 4.539 -0.935 -9.847 1.00 0.00 C ATOM 763 O HIS A 49 4.014 -0.066 -10.545 1.00 0.00 O ATOM 764 CB HIS A 49 3.586 -3.168 -9.244 1.00 0.00 C ATOM 765 CG HIS A 49 2.880 -4.345 -9.843 1.00 0.00 C ATOM 766 ND1 HIS A 49 3.427 -5.610 -9.881 1.00 0.00 N ATOM 767 CD2 HIS A 49 1.664 -4.444 -10.429 1.00 0.00 C ATOM 768 CE1 HIS A 49 2.578 -6.437 -10.466 1.00 0.00 C ATOM 769 NE2 HIS A 49 1.500 -5.754 -10.807 1.00 0.00 N ATOM 0 H HIS A 49 5.857 -3.933 -9.895 1.00 0.00 H new ATOM 0 HA HIS A 49 4.014 -2.476 -11.233 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.207 -3.510 -8.416 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.846 -2.485 -8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.955 -3.642 -10.573 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.738 -7.491 -10.636 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.679 -6.137 -11.275 1.00 0.00 H new ATOM 778 N LEU A 50 5.197 -0.662 -8.726 1.00 0.00 N ATOM 779 CA LEU A 50 5.343 0.705 -8.238 1.00 0.00 C ATOM 780 C LEU A 50 5.830 1.630 -9.349 1.00 0.00 C ATOM 781 O LEU A 50 5.252 2.692 -9.584 1.00 0.00 O ATOM 782 CB LEU A 50 6.319 0.746 -7.061 1.00 0.00 C ATOM 783 CG LEU A 50 5.984 -0.165 -5.880 1.00 0.00 C ATOM 784 CD1 LEU A 50 7.163 -0.255 -4.924 1.00 0.00 C ATOM 785 CD2 LEU A 50 4.744 0.336 -5.154 1.00 0.00 C ATOM 0 H LEU A 50 5.638 -1.369 -8.138 1.00 0.00 H new ATOM 0 HA LEU A 50 4.365 1.052 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.311 0.482 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.376 1.772 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 50 5.777 -1.164 -6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.906 -0.908 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.027 -0.661 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.402 0.739 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.521 -0.325 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.923 1.345 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.899 0.347 -5.842 1.00 0.00 H new ATOM 797 N ILE A 51 6.894 1.219 -10.031 1.00 0.00 N ATOM 798 CA ILE A 51 7.455 2.009 -11.119 1.00 0.00 C ATOM 799 C ILE A 51 6.373 2.433 -12.107 1.00 0.00 C ATOM 800 O ILE A 51 6.241 3.613 -12.428 1.00 0.00 O ATOM 801 CB ILE A 51 8.548 1.229 -11.876 1.00 0.00 C ATOM 802 CG1 ILE A 51 9.653 0.793 -10.912 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.122 2.078 -13.000 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.627 -0.194 -11.517 1.00 0.00 C ATOM 0 H ILE A 51 7.384 0.343 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 51 7.899 2.896 -10.667 1.00 0.00 H new ATOM 0 HB ILE A 51 8.101 0.337 -12.314 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.201 1.674 -10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.198 0.347 -10.028 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.893 1.514 -13.525 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.328 2.343 -13.698 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.558 2.986 -12.584 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.383 -0.459 -10.778 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.091 -1.091 -11.826 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.110 0.256 -12.384 1.00 0.00 H new ATOM 816 N GLU A 52 5.601 1.461 -12.583 1.00 0.00 N ATOM 817 CA GLU A 52 4.529 1.734 -13.533 1.00 0.00 C ATOM 818 C GLU A 52 3.460 2.624 -12.906 1.00 0.00 C ATOM 819 O GLU A 52 2.705 3.297 -13.610 1.00 0.00 O ATOM 820 CB GLU A 52 3.900 0.426 -14.016 1.00 0.00 C ATOM 821 CG GLU A 52 4.748 -0.318 -15.034 1.00 0.00 C ATOM 822 CD GLU A 52 6.189 -0.477 -14.588 1.00 0.00 C ATOM 823 OE1 GLU A 52 6.993 0.444 -14.839 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.511 -1.524 -13.988 1.00 0.00 O ATOM 0 H GLU A 52 5.698 0.479 -12.327 1.00 0.00 H new ATOM 0 HA GLU A 52 4.959 2.258 -14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.726 -0.222 -13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.926 0.642 -14.455 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.316 -1.303 -15.211 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.722 0.217 -15.983 1.00 0.00 H new ATOM 831 N LEU A 53 3.402 2.624 -11.579 1.00 0.00 N ATOM 832 CA LEU A 53 2.426 3.430 -10.855 1.00 0.00 C ATOM 833 C LEU A 53 2.924 4.862 -10.681 1.00 0.00 C ATOM 834 O LEU A 53 2.423 5.605 -9.839 1.00 0.00 O ATOM 835 CB LEU A 53 2.135 2.810 -9.488 1.00 0.00 C ATOM 836 CG LEU A 53 1.401 1.468 -9.502 1.00 0.00 C ATOM 837 CD1 LEU A 53 1.254 0.925 -8.089 1.00 0.00 C ATOM 838 CD2 LEU A 53 0.038 1.613 -10.164 1.00 0.00 C ATOM 0 H LEU A 53 4.020 2.074 -10.982 1.00 0.00 H new ATOM 0 HA LEU A 53 1.506 3.453 -11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.081 2.679 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.544 3.519 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 53 1.991 0.759 -10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.730 -0.030 -8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.241 0.783 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.686 1.632 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.470 0.649 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.560 2.338 -9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.167 1.957 -11.190 1.00 0.00 H new ATOM 850 N ASN A 54 3.912 5.241 -11.485 1.00 0.00 N ATOM 851 CA ASN A 54 4.476 6.584 -11.421 1.00 0.00 C ATOM 852 C ASN A 54 5.374 6.739 -10.197 1.00 0.00 C ATOM 853 O ASN A 54 5.569 7.846 -9.694 1.00 0.00 O ATOM 854 CB ASN A 54 3.359 7.628 -11.384 1.00 0.00 C ATOM 855 CG ASN A 54 3.846 9.011 -11.771 1.00 0.00 C ATOM 856 OD1 ASN A 54 3.669 9.975 -11.026 1.00 0.00 O ATOM 857 ND2 ASN A 54 4.465 9.114 -12.942 1.00 0.00 N ATOM 0 H ASN A 54 4.338 4.637 -12.188 1.00 0.00 H new ATOM 0 HA ASN A 54 5.080 6.740 -12.315 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.560 7.325 -12.060 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.932 7.664 -10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.816 10.019 -13.256 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.590 8.288 -13.527 1.00 0.00 H new ATOM 864 N ILE A 55 5.917 5.622 -9.724 1.00 0.00 N ATOM 865 CA ILE A 55 6.795 5.634 -8.560 1.00 0.00 C ATOM 866 C ILE A 55 8.243 5.373 -8.962 1.00 0.00 C ATOM 867 O ILE A 55 9.023 4.822 -8.186 1.00 0.00 O ATOM 868 CB ILE A 55 6.365 4.584 -7.520 1.00 0.00 C ATOM 869 CG1 ILE A 55 4.848 4.619 -7.324 1.00 0.00 C ATOM 870 CG2 ILE A 55 7.081 4.823 -6.199 1.00 0.00 C ATOM 871 CD1 ILE A 55 4.344 3.603 -6.323 1.00 0.00 C ATOM 0 H ILE A 55 5.765 4.698 -10.128 1.00 0.00 H new ATOM 0 HA ILE A 55 6.717 6.626 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 55 6.642 3.596 -7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.555 5.616 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.362 4.444 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.767 4.073 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.158 4.752 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.832 5.816 -5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.261 3.685 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.606 2.600 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.802 3.791 -5.352 1.00 0.00 H new ATOM 883 N ALA A 56 8.596 5.775 -10.178 1.00 0.00 N ATOM 884 CA ALA A 56 9.951 5.588 -10.682 1.00 0.00 C ATOM 885 C ALA A 56 10.981 5.804 -9.578 1.00 0.00 C ATOM 886 O ALA A 56 12.074 5.239 -9.616 1.00 0.00 O ATOM 887 CB ALA A 56 10.216 6.531 -11.846 1.00 0.00 C ATOM 0 H ALA A 56 7.962 6.233 -10.833 1.00 0.00 H new ATOM 0 HA ALA A 56 10.043 4.560 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.231 6.380 -12.212 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.507 6.327 -12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.100 7.562 -11.513 1.00 0.00 H new ATOM 893 N ASP A 57 10.626 6.626 -8.597 1.00 0.00 N ATOM 894 CA ASP A 57 11.520 6.917 -7.482 1.00 0.00 C ATOM 895 C ASP A 57 11.597 5.732 -6.524 1.00 0.00 C ATOM 896 O ASP A 57 10.582 5.195 -6.080 1.00 0.00 O ATOM 897 CB ASP A 57 11.047 8.164 -6.733 1.00 0.00 C ATOM 898 CG ASP A 57 11.632 9.440 -7.307 1.00 0.00 C ATOM 899 OD1 ASP A 57 12.849 9.664 -7.139 1.00 0.00 O ATOM 900 OD2 ASP A 57 10.872 10.215 -7.926 1.00 0.00 O ATOM 0 H ASP A 57 9.725 7.103 -8.551 1.00 0.00 H new ATOM 0 HA ASP A 57 12.516 7.101 -7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.959 8.217 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.325 8.081 -5.682 1.00 0.00 H new ATOM 905 N PRO A 58 12.828 5.314 -6.197 1.00 0.00 N ATOM 906 CA PRO A 58 13.067 4.188 -5.290 1.00 0.00 C ATOM 907 C PRO A 58 12.690 4.516 -3.849 1.00 0.00 C ATOM 908 O PRO A 58 12.183 3.662 -3.122 1.00 0.00 O ATOM 909 CB PRO A 58 14.575 3.951 -5.407 1.00 0.00 C ATOM 910 CG PRO A 58 15.134 5.268 -5.825 1.00 0.00 C ATOM 911 CD PRO A 58 14.083 5.908 -6.689 1.00 0.00 C ATOM 0 HA PRO A 58 12.464 3.319 -5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.999 3.624 -4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.798 3.176 -6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.358 5.890 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.066 5.140 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.082 6.993 -6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.244 5.690 -7.745 1.00 0.00 H new ATOM 919 N GLU A 59 12.941 5.757 -3.443 1.00 0.00 N ATOM 920 CA GLU A 59 12.628 6.195 -2.088 1.00 0.00 C ATOM 921 C GLU A 59 11.215 5.774 -1.694 1.00 0.00 C ATOM 922 O GLU A 59 10.973 5.364 -0.558 1.00 0.00 O ATOM 923 CB GLU A 59 12.769 7.714 -1.975 1.00 0.00 C ATOM 924 CG GLU A 59 14.211 8.186 -1.887 1.00 0.00 C ATOM 925 CD GLU A 59 14.323 9.687 -1.704 1.00 0.00 C ATOM 926 OE1 GLU A 59 13.750 10.431 -2.527 1.00 0.00 O ATOM 927 OE2 GLU A 59 14.985 10.118 -0.736 1.00 0.00 O ATOM 0 H GLU A 59 13.360 6.476 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 59 13.334 5.720 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.295 8.180 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.229 8.056 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.703 7.684 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.741 7.894 -2.793 1.00 0.00 H new ATOM 934 N ASP A 60 10.287 5.879 -2.638 1.00 0.00 N ATOM 935 CA ASP A 60 8.899 5.509 -2.390 1.00 0.00 C ATOM 936 C ASP A 60 8.701 4.004 -2.544 1.00 0.00 C ATOM 937 O ASP A 60 8.079 3.360 -1.699 1.00 0.00 O ATOM 938 CB ASP A 60 7.970 6.258 -3.348 1.00 0.00 C ATOM 939 CG ASP A 60 8.144 7.761 -3.266 1.00 0.00 C ATOM 940 OD1 ASP A 60 7.630 8.366 -2.301 1.00 0.00 O ATOM 941 OD2 ASP A 60 8.795 8.333 -4.165 1.00 0.00 O ATOM 0 H ASP A 60 10.471 6.217 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 60 8.653 5.787 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.163 5.928 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.935 6.002 -3.120 1.00 0.00 H new ATOM 946 N ARG A 61 9.235 3.450 -3.627 1.00 0.00 N ATOM 947 CA ARG A 61 9.116 2.021 -3.892 1.00 0.00 C ATOM 948 C ARG A 61 9.549 1.205 -2.678 1.00 0.00 C ATOM 949 O ARG A 61 8.794 0.373 -2.175 1.00 0.00 O ATOM 950 CB ARG A 61 9.960 1.634 -5.108 1.00 0.00 C ATOM 951 CG ARG A 61 9.370 2.095 -6.431 1.00 0.00 C ATOM 952 CD ARG A 61 9.778 1.177 -7.573 1.00 0.00 C ATOM 953 NE ARG A 61 11.220 0.949 -7.603 1.00 0.00 N ATOM 954 CZ ARG A 61 12.083 1.776 -8.183 1.00 0.00 C ATOM 955 NH1 ARG A 61 11.651 2.879 -8.778 1.00 0.00 N ATOM 956 NH2 ARG A 61 13.381 1.499 -8.169 1.00 0.00 N ATOM 0 H ARG A 61 9.754 3.969 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 61 8.069 1.802 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.958 2.059 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.076 0.550 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.283 2.123 -6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.701 3.111 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.262 0.222 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.460 1.613 -8.520 1.00 0.00 H new ATOM 0 HE ARG A 61 11.585 0.109 -7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.654 3.094 -8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.316 3.512 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.717 0.651 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.043 2.134 -8.615 1.00 0.00 H new ATOM 970 N ALA A 62 10.770 1.448 -2.213 1.00 0.00 N ATOM 971 CA ALA A 62 11.303 0.737 -1.058 1.00 0.00 C ATOM 972 C ALA A 62 10.388 0.890 0.152 1.00 0.00 C ATOM 973 O ALA A 62 9.968 -0.098 0.753 1.00 0.00 O ATOM 974 CB ALA A 62 12.702 1.237 -0.730 1.00 0.00 C ATOM 0 H ALA A 62 11.409 2.132 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 62 11.357 -0.323 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.088 0.697 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.358 1.070 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.664 2.303 -0.505 1.00 0.00 H new ATOM 980 N ARG A 63 10.082 2.135 0.503 1.00 0.00 N ATOM 981 CA ARG A 63 9.218 2.417 1.642 1.00 0.00 C ATOM 982 C ARG A 63 7.880 1.698 1.501 1.00 0.00 C ATOM 983 O ARG A 63 7.328 1.192 2.479 1.00 0.00 O ATOM 984 CB ARG A 63 8.987 3.924 1.774 1.00 0.00 C ATOM 985 CG ARG A 63 10.165 4.669 2.381 1.00 0.00 C ATOM 986 CD ARG A 63 9.894 6.163 2.467 1.00 0.00 C ATOM 987 NE ARG A 63 11.123 6.948 2.387 1.00 0.00 N ATOM 988 CZ ARG A 63 12.015 7.019 3.369 1.00 0.00 C ATOM 989 NH1 ARG A 63 11.815 6.355 4.499 1.00 0.00 N ATOM 990 NH2 ARG A 63 13.109 7.754 3.221 1.00 0.00 N ATOM 0 H ARG A 63 10.420 2.964 0.014 1.00 0.00 H new ATOM 0 HA ARG A 63 9.715 2.052 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.775 4.338 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.104 4.095 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.370 4.277 3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.057 4.494 1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.223 6.457 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.382 6.385 3.403 1.00 0.00 H new ATOM 0 HE ARG A 63 11.307 7.470 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.975 5.788 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.501 6.411 5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.266 8.265 2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.793 7.808 3.976 1.00 0.00 H new ATOM 1004 N LEU A 64 7.363 1.656 0.278 1.00 0.00 N ATOM 1005 CA LEU A 64 6.089 0.999 0.007 1.00 0.00 C ATOM 1006 C LEU A 64 6.206 -0.511 0.188 1.00 0.00 C ATOM 1007 O LEU A 64 5.374 -1.135 0.848 1.00 0.00 O ATOM 1008 CB LEU A 64 5.618 1.319 -1.413 1.00 0.00 C ATOM 1009 CG LEU A 64 4.105 1.360 -1.625 1.00 0.00 C ATOM 1010 CD1 LEU A 64 3.768 2.050 -2.938 1.00 0.00 C ATOM 1011 CD2 LEU A 64 3.524 -0.046 -1.594 1.00 0.00 C ATOM 0 H LEU A 64 7.807 2.069 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 64 5.355 1.376 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.032 2.285 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.040 0.576 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 64 3.659 1.934 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.686 2.070 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.150 3.071 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.226 1.505 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.446 0.002 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.976 -0.644 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.733 -0.505 -0.628 1.00 0.00 H new ATOM 1023 N LEU A 65 7.245 -1.093 -0.402 1.00 0.00 N ATOM 1024 CA LEU A 65 7.473 -2.531 -0.304 1.00 0.00 C ATOM 1025 C LEU A 65 7.856 -2.926 1.118 1.00 0.00 C ATOM 1026 O LEU A 65 7.106 -3.621 1.803 1.00 0.00 O ATOM 1027 CB LEU A 65 8.572 -2.960 -1.278 1.00 0.00 C ATOM 1028 CG LEU A 65 8.355 -2.581 -2.744 1.00 0.00 C ATOM 1029 CD1 LEU A 65 9.688 -2.414 -3.456 1.00 0.00 C ATOM 1030 CD2 LEU A 65 7.502 -3.629 -3.445 1.00 0.00 C ATOM 0 H LEU A 65 7.942 -0.592 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 65 6.545 -3.040 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.514 -2.524 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.683 -4.043 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 65 7.827 -1.628 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.513 -2.145 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.264 -1.627 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.244 -3.351 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.358 -3.343 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.003 -4.596 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.533 -3.700 -2.951 1.00 0.00 H new ATOM 1042 N SER A 66 9.028 -2.477 1.557 1.00 0.00 N ATOM 1043 CA SER A 66 9.511 -2.786 2.897 1.00 0.00 C ATOM 1044 C SER A 66 8.374 -2.725 3.912 1.00 0.00 C ATOM 1045 O SER A 66 8.293 -3.552 4.820 1.00 0.00 O ATOM 1046 CB SER A 66 10.621 -1.812 3.299 1.00 0.00 C ATOM 1047 OG SER A 66 11.105 -2.098 4.599 1.00 0.00 O ATOM 0 H SER A 66 9.660 -1.898 1.004 1.00 0.00 H new ATOM 0 HA SER A 66 9.912 -3.799 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.439 -1.872 2.582 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.242 -0.790 3.265 1.00 0.00 H new ATOM 0 HG SER A 66 11.814 -1.463 4.831 1.00 0.00 H new ATOM 1053 N ALA A 67 7.498 -1.739 3.751 1.00 0.00 N ATOM 1054 CA ALA A 67 6.363 -1.571 4.651 1.00 0.00 C ATOM 1055 C ALA A 67 5.374 -2.722 4.510 1.00 0.00 C ATOM 1056 O ALA A 67 5.056 -3.403 5.484 1.00 0.00 O ATOM 1057 CB ALA A 67 5.671 -0.242 4.385 1.00 0.00 C ATOM 0 H ALA A 67 7.552 -1.044 3.006 1.00 0.00 H new ATOM 0 HA ALA A 67 6.739 -1.574 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.826 -0.130 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.376 0.574 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.315 -0.217 3.355 1.00 0.00 H new ATOM 1063 N ALA A 68 4.891 -2.935 3.290 1.00 0.00 N ATOM 1064 CA ALA A 68 3.939 -4.006 3.021 1.00 0.00 C ATOM 1065 C ALA A 68 4.489 -5.355 3.471 1.00 0.00 C ATOM 1066 O ALA A 68 3.750 -6.196 3.982 1.00 0.00 O ATOM 1067 CB ALA A 68 3.591 -4.043 1.540 1.00 0.00 C ATOM 0 H ALA A 68 5.143 -2.380 2.472 1.00 0.00 H new ATOM 0 HA ALA A 68 3.032 -3.804 3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.879 -4.847 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.148 -3.091 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.496 -4.217 0.958 1.00 0.00 H new ATOM 1073 N GLU A 69 5.789 -5.554 3.278 1.00 0.00 N ATOM 1074 CA GLU A 69 6.436 -6.802 3.663 1.00 0.00 C ATOM 1075 C GLU A 69 6.262 -7.067 5.156 1.00 0.00 C ATOM 1076 O GLU A 69 5.887 -8.167 5.563 1.00 0.00 O ATOM 1077 CB GLU A 69 7.924 -6.761 3.312 1.00 0.00 C ATOM 1078 CG GLU A 69 8.199 -6.819 1.819 1.00 0.00 C ATOM 1079 CD GLU A 69 8.316 -8.240 1.301 1.00 0.00 C ATOM 1080 OE1 GLU A 69 7.332 -8.999 1.427 1.00 0.00 O ATOM 1081 OE2 GLU A 69 9.390 -8.592 0.771 1.00 0.00 O ATOM 0 H GLU A 69 6.414 -4.867 2.857 1.00 0.00 H new ATOM 0 HA GLU A 69 5.962 -7.612 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.359 -5.848 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.427 -7.597 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.398 -6.307 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.121 -6.280 1.602 1.00 0.00 H new ATOM 1088 N SER A 70 6.537 -6.051 5.967 1.00 0.00 N ATOM 1089 CA SER A 70 6.415 -6.174 7.415 1.00 0.00 C ATOM 1090 C SER A 70 4.992 -6.556 7.810 1.00 0.00 C ATOM 1091 O SER A 70 4.781 -7.475 8.603 1.00 0.00 O ATOM 1092 CB SER A 70 6.810 -4.861 8.095 1.00 0.00 C ATOM 1093 OG SER A 70 7.330 -5.095 9.392 1.00 0.00 O ATOM 0 H SER A 70 6.846 -5.133 5.646 1.00 0.00 H new ATOM 0 HA SER A 70 7.090 -6.964 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.554 -4.344 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.941 -4.206 8.161 1.00 0.00 H new ATOM 0 HG SER A 70 7.576 -4.241 9.805 1.00 0.00 H new ATOM 1099 N LEU A 71 4.019 -5.845 7.252 1.00 0.00 N ATOM 1100 CA LEU A 71 2.614 -6.109 7.545 1.00 0.00 C ATOM 1101 C LEU A 71 2.253 -7.556 7.225 1.00 0.00 C ATOM 1102 O LEU A 71 1.678 -8.262 8.054 1.00 0.00 O ATOM 1103 CB LEU A 71 1.719 -5.159 6.746 1.00 0.00 C ATOM 1104 CG LEU A 71 2.085 -3.676 6.814 1.00 0.00 C ATOM 1105 CD1 LEU A 71 1.484 -2.924 5.637 1.00 0.00 C ATOM 1106 CD2 LEU A 71 1.618 -3.072 8.130 1.00 0.00 C ATOM 0 H LEU A 71 4.176 -5.081 6.594 1.00 0.00 H new ATOM 0 HA LEU A 71 2.453 -5.941 8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.735 -5.469 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.694 -5.276 7.097 1.00 0.00 H new ATOM 0 HG LEU A 71 3.170 -3.586 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.755 -1.870 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.867 -3.340 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.399 -3.022 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.887 -2.016 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.536 -3.174 8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.096 -3.593 8.959 1.00 0.00 H new ATOM 1118 N LEU A 72 2.596 -7.992 6.018 1.00 0.00 N ATOM 1119 CA LEU A 72 2.311 -9.357 5.588 1.00 0.00 C ATOM 1120 C LEU A 72 3.434 -10.304 5.999 1.00 0.00 C ATOM 1121 O LEU A 72 4.466 -9.872 6.514 1.00 0.00 O ATOM 1122 CB LEU A 72 2.117 -9.405 4.072 1.00 0.00 C ATOM 1123 CG LEU A 72 1.174 -8.356 3.482 1.00 0.00 C ATOM 1124 CD1 LEU A 72 1.573 -8.024 2.052 1.00 0.00 C ATOM 1125 CD2 LEU A 72 -0.266 -8.842 3.537 1.00 0.00 C ATOM 0 H LEU A 72 3.072 -7.421 5.320 1.00 0.00 H new ATOM 0 HA LEU A 72 1.392 -9.681 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.092 -9.296 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.742 -10.393 3.805 1.00 0.00 H new ATOM 0 HG LEU A 72 1.252 -7.448 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.891 -7.276 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.590 -7.632 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.524 -8.926 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.923 -8.082 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.361 -9.765 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.548 -9.028 4.573 1.00 0.00 H new ATOM 1137 N SER A 73 3.227 -11.596 5.766 1.00 0.00 N ATOM 1138 CA SER A 73 4.221 -12.604 6.114 1.00 0.00 C ATOM 1139 C SER A 73 5.428 -12.521 5.183 1.00 0.00 C ATOM 1140 O SER A 73 6.573 -12.540 5.631 1.00 0.00 O ATOM 1141 CB SER A 73 3.606 -14.003 6.045 1.00 0.00 C ATOM 1142 OG SER A 73 3.057 -14.256 4.764 1.00 0.00 O ATOM 0 H SER A 73 2.380 -11.969 5.338 1.00 0.00 H new ATOM 0 HA SER A 73 4.555 -12.412 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.367 -14.750 6.272 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.829 -14.100 6.803 1.00 0.00 H new ATOM 0 HG SER A 73 2.672 -15.157 4.745 1.00 0.00 H new ATOM 1148 N GLY A 74 5.160 -12.427 3.884 1.00 0.00 N ATOM 1149 CA GLY A 74 6.232 -12.342 2.910 1.00 0.00 C ATOM 1150 C GLY A 74 6.021 -13.274 1.733 1.00 0.00 C ATOM 1151 O GLY A 74 5.476 -14.369 1.871 1.00 0.00 O ATOM 0 H GLY A 74 4.220 -12.408 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.310 -11.317 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.179 -12.582 3.394 1.00 0.00 H new ATOM 1155 N PRO A 75 6.458 -12.838 0.543 1.00 0.00 N ATOM 1156 CA PRO A 75 6.324 -13.625 -0.687 1.00 0.00 C ATOM 1157 C PRO A 75 7.232 -14.850 -0.693 1.00 0.00 C ATOM 1158 O PRO A 75 7.196 -15.657 -1.622 1.00 0.00 O ATOM 1159 CB PRO A 75 6.743 -12.644 -1.784 1.00 0.00 C ATOM 1160 CG PRO A 75 7.640 -11.670 -1.099 1.00 0.00 C ATOM 1161 CD PRO A 75 7.117 -11.543 0.305 1.00 0.00 C ATOM 0 HA PRO A 75 5.315 -14.018 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.260 -13.155 -2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.878 -12.146 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.672 -12.021 -1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.631 -10.706 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.921 -11.364 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.417 -10.713 0.399 1.00 0.00 H new ATOM 1169 N SER A 76 8.045 -14.983 0.350 1.00 0.00 N ATOM 1170 CA SER A 76 8.966 -16.109 0.464 1.00 0.00 C ATOM 1171 C SER A 76 8.283 -17.411 0.056 1.00 0.00 C ATOM 1172 O SER A 76 7.572 -18.027 0.849 1.00 0.00 O ATOM 1173 CB SER A 76 9.492 -16.222 1.896 1.00 0.00 C ATOM 1174 OG SER A 76 8.432 -16.420 2.815 1.00 0.00 O ATOM 0 H SER A 76 8.085 -14.325 1.129 1.00 0.00 H new ATOM 0 HA SER A 76 9.804 -15.932 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.196 -17.052 1.964 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.040 -15.317 2.158 1.00 0.00 H new ATOM 0 HG SER A 76 7.772 -17.032 2.427 1.00 0.00 H new ATOM 1180 N SER A 77 8.506 -17.824 -1.188 1.00 0.00 N ATOM 1181 CA SER A 77 7.911 -19.051 -1.704 1.00 0.00 C ATOM 1182 C SER A 77 8.954 -19.901 -2.422 1.00 0.00 C ATOM 1183 O SER A 77 9.504 -19.496 -3.446 1.00 0.00 O ATOM 1184 CB SER A 77 6.760 -18.723 -2.658 1.00 0.00 C ATOM 1185 OG SER A 77 5.951 -19.862 -2.892 1.00 0.00 O ATOM 0 H SER A 77 9.094 -17.327 -1.857 1.00 0.00 H new ATOM 0 HA SER A 77 7.523 -19.620 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.152 -17.922 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.160 -18.357 -3.603 1.00 0.00 H new ATOM 0 HG SER A 77 5.222 -19.626 -3.503 1.00 0.00 H new ATOM 1191 N GLY A 78 9.223 -21.084 -1.877 1.00 0.00 N ATOM 1192 CA GLY A 78 10.199 -21.973 -2.478 1.00 0.00 C ATOM 1193 C GLY A 78 9.564 -23.211 -3.080 1.00 0.00 C ATOM 1194 O GLY A 78 8.556 -23.706 -2.576 1.00 0.00 O ATOM 0 H GLY A 78 8.782 -21.442 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.746 -21.436 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.926 -22.272 -1.723 1.00 0.00 H new TER 1198 GLY A 78