USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 807 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 29 GLN : amide:sc= -1.49 K(o=-1.5,f=-7.3!) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.457 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.46) USER MOD Single : A 14 GLN : amide:sc= -0.834 K(o=-0.83,f=-1.8) USER MOD Single : A 15 GLN : amide:sc= -0.363 K(o=-0.36,f=-3!) USER MOD Single : A 21 GLN : amide:sc= -2.3 K(o=-2.3,f=-3.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 155:sc= -0.662 USER MOD Single : A 37 SER OG : rot -93:sc= 0.163 USER MOD Single : A 39 CYS SG : rot -17:sc= -5.46! USER MOD Single : A 46 HIS : no HD1:sc=-0.00193 X(o=-0.0019,f=-0.099) USER MOD Single : A 47 SER OG : rot 54:sc= 1.04 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -179:sc= -7.68! (180deg=-7.83!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -116:sc= 0.426 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.561 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.38) USER MOD Single : A 81 SER OG : rot 39:sc= 0.3 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= -0.206 (180deg=-0.942) USER MOD Single : A 87 TYR OH : rot -149:sc= -0.574! USER MOD Single : A 90 CYS SG : rot -90:sc= -0.791 USER MOD Single : A 91 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 136:sc= -0.746 (180deg=-2.61!) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.587 USER MOD Single : A 99 LYS NZ :NH3+ -145:sc= 1.4 (180deg=0.796) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.484 -34.221 -11.416 1.00 0.00 N ATOM 2 CA GLY A 1 -15.543 -34.270 -10.371 1.00 0.00 C ATOM 3 C GLY A 1 -15.004 -34.678 -9.015 1.00 0.00 C ATOM 4 O GLY A 1 -14.261 -35.654 -8.904 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.905 -33.937 -12.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.756 -33.531 -11.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.050 -35.161 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.015 -33.291 -10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.318 -34.973 -10.677 1.00 0.00 H new ATOM 10 N SER A 2 -15.376 -33.931 -7.982 1.00 0.00 N ATOM 11 CA SER A 2 -14.924 -34.221 -6.626 1.00 0.00 C ATOM 12 C SER A 2 -15.970 -33.792 -5.601 1.00 0.00 C ATOM 13 O SER A 2 -16.238 -32.603 -5.434 1.00 0.00 O ATOM 14 CB SER A 2 -13.598 -33.512 -6.346 1.00 0.00 C ATOM 15 OG SER A 2 -13.714 -32.113 -6.546 1.00 0.00 O ATOM 0 H SER A 2 -15.990 -33.120 -8.057 1.00 0.00 H new ATOM 0 HA SER A 2 -14.777 -35.298 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.285 -33.711 -5.321 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.823 -33.913 -6.999 1.00 0.00 H new ATOM 0 HG SER A 2 -14.596 -31.811 -6.243 1.00 0.00 H new ATOM 21 N SER A 3 -16.554 -34.769 -4.916 1.00 0.00 N ATOM 22 CA SER A 3 -17.570 -34.493 -3.907 1.00 0.00 C ATOM 23 C SER A 3 -17.014 -34.710 -2.503 1.00 0.00 C ATOM 24 O SER A 3 -16.632 -35.823 -2.141 1.00 0.00 O ATOM 25 CB SER A 3 -18.793 -35.384 -4.127 1.00 0.00 C ATOM 26 OG SER A 3 -19.750 -34.743 -4.953 1.00 0.00 O ATOM 0 H SER A 3 -16.341 -35.759 -5.041 1.00 0.00 H new ATOM 0 HA SER A 3 -17.868 -33.449 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.484 -36.324 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.245 -35.631 -3.166 1.00 0.00 H new ATOM 0 HG SER A 3 -20.521 -35.334 -5.080 1.00 0.00 H new ATOM 32 N GLY A 4 -16.971 -33.640 -1.717 1.00 0.00 N ATOM 33 CA GLY A 4 -16.461 -33.733 -0.361 1.00 0.00 C ATOM 34 C GLY A 4 -15.235 -32.868 -0.143 1.00 0.00 C ATOM 35 O GLY A 4 -14.984 -32.405 0.970 1.00 0.00 O ATOM 0 H GLY A 4 -17.281 -32.709 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.242 -33.435 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.214 -34.771 -0.139 1.00 0.00 H new ATOM 39 N SER A 5 -14.470 -32.650 -1.207 1.00 0.00 N ATOM 40 CA SER A 5 -13.264 -31.835 -1.127 1.00 0.00 C ATOM 41 C SER A 5 -13.139 -30.925 -2.344 1.00 0.00 C ATOM 42 O SER A 5 -13.547 -31.289 -3.447 1.00 0.00 O ATOM 43 CB SER A 5 -12.026 -32.727 -1.014 1.00 0.00 C ATOM 44 OG SER A 5 -12.317 -33.916 -0.301 1.00 0.00 O ATOM 0 H SER A 5 -14.664 -33.026 -2.135 1.00 0.00 H new ATOM 0 HA SER A 5 -13.337 -31.211 -0.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.662 -32.977 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.227 -32.183 -0.510 1.00 0.00 H new ATOM 0 HG SER A 5 -11.510 -34.469 -0.244 1.00 0.00 H new ATOM 50 N SER A 6 -12.573 -29.741 -2.137 1.00 0.00 N ATOM 51 CA SER A 6 -12.395 -28.779 -3.217 1.00 0.00 C ATOM 52 C SER A 6 -10.977 -28.217 -3.216 1.00 0.00 C ATOM 53 O SER A 6 -10.383 -28.006 -2.159 1.00 0.00 O ATOM 54 CB SER A 6 -13.408 -27.639 -3.084 1.00 0.00 C ATOM 55 OG SER A 6 -13.532 -27.220 -1.736 1.00 0.00 O ATOM 0 H SER A 6 -12.230 -29.425 -1.230 1.00 0.00 H new ATOM 0 HA SER A 6 -12.561 -29.296 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.096 -26.797 -3.702 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.379 -27.966 -3.457 1.00 0.00 H new ATOM 0 HG SER A 6 -14.184 -26.490 -1.679 1.00 0.00 H new ATOM 61 N GLY A 7 -10.441 -27.976 -4.408 1.00 0.00 N ATOM 62 CA GLY A 7 -9.097 -27.441 -4.522 1.00 0.00 C ATOM 63 C GLY A 7 -8.581 -27.462 -5.947 1.00 0.00 C ATOM 64 O GLY A 7 -9.071 -28.225 -6.780 1.00 0.00 O ATOM 0 H GLY A 7 -10.913 -28.142 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.085 -26.417 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.425 -28.019 -3.887 1.00 0.00 H new ATOM 68 N ASN A 8 -7.590 -26.623 -6.229 1.00 0.00 N ATOM 69 CA ASN A 8 -7.008 -26.547 -7.564 1.00 0.00 C ATOM 70 C ASN A 8 -5.606 -27.150 -7.581 1.00 0.00 C ATOM 71 O ASN A 8 -4.736 -26.743 -6.811 1.00 0.00 O ATOM 72 CB ASN A 8 -6.957 -25.093 -8.039 1.00 0.00 C ATOM 73 CG ASN A 8 -7.372 -24.944 -9.489 1.00 0.00 C ATOM 74 OD1 ASN A 8 -7.050 -25.785 -10.329 1.00 0.00 O ATOM 75 ND2 ASN A 8 -8.091 -23.869 -9.792 1.00 0.00 N ATOM 0 H ASN A 8 -7.173 -25.986 -5.551 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.639 -27.121 -8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.611 -24.486 -7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.945 -24.707 -7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.399 -23.715 -10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.336 -23.197 -9.064 1.00 0.00 H new ATOM 82 N GLU A 9 -5.396 -28.121 -8.463 1.00 0.00 N ATOM 83 CA GLU A 9 -4.099 -28.779 -8.578 1.00 0.00 C ATOM 84 C GLU A 9 -3.295 -28.197 -9.737 1.00 0.00 C ATOM 85 O GLU A 9 -2.071 -28.104 -9.670 1.00 0.00 O ATOM 86 CB GLU A 9 -4.284 -30.284 -8.777 1.00 0.00 C ATOM 87 CG GLU A 9 -3.202 -31.122 -8.115 1.00 0.00 C ATOM 88 CD GLU A 9 -3.250 -32.577 -8.541 1.00 0.00 C ATOM 89 OE1 GLU A 9 -4.309 -33.214 -8.360 1.00 0.00 O ATOM 90 OE2 GLU A 9 -2.229 -33.079 -9.055 1.00 0.00 O ATOM 0 H GLU A 9 -6.105 -28.470 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.548 -28.606 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.255 -30.578 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.299 -30.502 -9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.225 -30.707 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.311 -31.060 -7.032 1.00 0.00 H new ATOM 97 N GLU A 10 -3.995 -27.806 -10.796 1.00 0.00 N ATOM 98 CA GLU A 10 -3.349 -27.231 -11.970 1.00 0.00 C ATOM 99 C GLU A 10 -2.890 -25.801 -11.696 1.00 0.00 C ATOM 100 O GLU A 10 -1.959 -25.307 -12.330 1.00 0.00 O ATOM 101 CB GLU A 10 -4.305 -27.254 -13.164 1.00 0.00 C ATOM 102 CG GLU A 10 -3.630 -27.628 -14.475 1.00 0.00 C ATOM 103 CD GLU A 10 -4.402 -28.680 -15.249 1.00 0.00 C ATOM 104 OE1 GLU A 10 -5.090 -29.503 -14.608 1.00 0.00 O ATOM 105 OE2 GLU A 10 -4.317 -28.681 -16.494 1.00 0.00 O ATOM 0 H GLU A 10 -5.010 -27.877 -10.866 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.472 -27.834 -12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.108 -27.963 -12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.766 -26.272 -13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.522 -26.735 -15.091 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.625 -27.998 -14.270 1.00 0.00 H new ATOM 112 N LEU A 11 -3.550 -25.142 -10.747 1.00 0.00 N ATOM 113 CA LEU A 11 -3.209 -23.771 -10.391 1.00 0.00 C ATOM 114 C LEU A 11 -2.257 -23.736 -9.199 1.00 0.00 C ATOM 115 O LEU A 11 -2.386 -22.892 -8.312 1.00 0.00 O ATOM 116 CB LEU A 11 -4.477 -22.976 -10.070 1.00 0.00 C ATOM 117 CG LEU A 11 -4.475 -21.527 -10.560 1.00 0.00 C ATOM 118 CD1 LEU A 11 -4.576 -21.476 -12.076 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.614 -20.748 -9.920 1.00 0.00 C ATOM 0 H LEU A 11 -4.323 -25.537 -10.212 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.707 -23.315 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.331 -23.491 -10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.625 -22.978 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.533 -21.064 -10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.573 -20.437 -12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.726 -21.999 -12.515 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.501 -21.956 -12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.598 -19.719 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.565 -21.210 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.496 -20.756 -8.836 1.00 0.00 H new ATOM 131 N ARG A 12 -1.299 -24.658 -9.184 1.00 0.00 N ATOM 132 CA ARG A 12 -0.325 -24.732 -8.102 1.00 0.00 C ATOM 133 C ARG A 12 1.027 -24.176 -8.545 1.00 0.00 C ATOM 134 O ARG A 12 1.828 -23.739 -7.719 1.00 0.00 O ATOM 135 CB ARG A 12 -0.169 -26.179 -7.628 1.00 0.00 C ATOM 136 CG ARG A 12 -0.298 -26.344 -6.123 1.00 0.00 C ATOM 137 CD ARG A 12 -0.769 -27.741 -5.752 1.00 0.00 C ATOM 138 NE ARG A 12 -1.063 -27.860 -4.325 1.00 0.00 N ATOM 139 CZ ARG A 12 -1.366 -29.008 -3.724 1.00 0.00 C ATOM 140 NH1 ARG A 12 -1.419 -30.136 -4.420 1.00 0.00 N ATOM 141 NH2 ARG A 12 -1.619 -29.027 -2.422 1.00 0.00 N ATOM 0 H ARG A 12 -1.177 -25.364 -9.910 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.690 -24.124 -7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.922 -26.796 -8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.805 -26.553 -7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.664 -26.146 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.001 -25.607 -5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.661 -27.987 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.003 -28.466 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.034 -27.014 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.227 -30.127 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.652 -31.013 -3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.581 -28.162 -1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.851 -29.906 -1.960 1.00 0.00 H new ATOM 155 N ALA A 13 1.274 -24.197 -9.851 1.00 0.00 N ATOM 156 CA ALA A 13 2.529 -23.695 -10.399 1.00 0.00 C ATOM 157 C ALA A 13 2.348 -22.305 -11.000 1.00 0.00 C ATOM 158 O ALA A 13 3.225 -21.448 -10.883 1.00 0.00 O ATOM 159 CB ALA A 13 3.070 -24.658 -11.444 1.00 0.00 C ATOM 0 H ALA A 13 0.622 -24.556 -10.549 1.00 0.00 H new ATOM 0 HA ALA A 13 3.249 -23.619 -9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.007 -24.271 -11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.246 -25.631 -10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.346 -24.763 -12.252 1.00 0.00 H new ATOM 165 N GLN A 14 1.206 -22.089 -11.645 1.00 0.00 N ATOM 166 CA GLN A 14 0.912 -20.802 -12.267 1.00 0.00 C ATOM 167 C GLN A 14 0.949 -19.677 -11.236 1.00 0.00 C ATOM 168 O GLN A 14 1.395 -18.568 -11.529 1.00 0.00 O ATOM 169 CB GLN A 14 -0.459 -20.842 -12.945 1.00 0.00 C ATOM 170 CG GLN A 14 -0.748 -19.622 -13.805 1.00 0.00 C ATOM 171 CD GLN A 14 0.337 -19.359 -14.830 1.00 0.00 C ATOM 172 OE1 GLN A 14 0.829 -18.238 -14.957 1.00 0.00 O ATOM 173 NE2 GLN A 14 0.717 -20.396 -15.568 1.00 0.00 N ATOM 0 H GLN A 14 0.470 -22.787 -11.751 1.00 0.00 H new ATOM 0 HA GLN A 14 1.677 -20.607 -13.018 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.523 -21.736 -13.565 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.231 -20.928 -12.180 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.700 -19.761 -14.317 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.856 -18.747 -13.163 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.282 -21.308 -15.429 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.444 -20.280 -16.274 1.00 0.00 H new ATOM 182 N GLN A 15 0.481 -19.972 -10.028 1.00 0.00 N ATOM 183 CA GLN A 15 0.462 -18.987 -8.953 1.00 0.00 C ATOM 184 C GLN A 15 1.604 -19.232 -7.972 1.00 0.00 C ATOM 185 O GLN A 15 1.484 -18.942 -6.782 1.00 0.00 O ATOM 186 CB GLN A 15 -0.878 -19.029 -8.217 1.00 0.00 C ATOM 187 CG GLN A 15 -2.064 -18.655 -9.090 1.00 0.00 C ATOM 188 CD GLN A 15 -3.071 -17.784 -8.365 1.00 0.00 C ATOM 189 OE1 GLN A 15 -2.810 -17.298 -7.264 1.00 0.00 O ATOM 190 NE2 GLN A 15 -4.230 -17.580 -8.981 1.00 0.00 N ATOM 0 H GLN A 15 0.110 -20.886 -9.769 1.00 0.00 H new ATOM 0 HA GLN A 15 0.593 -18.000 -9.396 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.033 -20.032 -7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.836 -18.350 -7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.707 -18.130 -9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.557 -19.564 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.404 -18.002 -9.893 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.946 -17.001 -8.542 1.00 0.00 H new ATOM 199 N GLU A 16 2.708 -19.769 -8.479 1.00 0.00 N ATOM 200 CA GLU A 16 3.871 -20.054 -7.647 1.00 0.00 C ATOM 201 C GLU A 16 5.164 -19.708 -8.379 1.00 0.00 C ATOM 202 O GLU A 16 6.058 -19.077 -7.815 1.00 0.00 O ATOM 203 CB GLU A 16 3.882 -21.528 -7.237 1.00 0.00 C ATOM 204 CG GLU A 16 3.088 -21.815 -5.973 1.00 0.00 C ATOM 205 CD GLU A 16 3.493 -23.119 -5.314 1.00 0.00 C ATOM 206 OE1 GLU A 16 4.708 -23.339 -5.129 1.00 0.00 O ATOM 207 OE2 GLU A 16 2.594 -23.921 -4.983 1.00 0.00 O ATOM 0 H GLU A 16 2.822 -20.016 -9.462 1.00 0.00 H new ATOM 0 HA GLU A 16 3.806 -19.435 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.478 -22.126 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.914 -21.847 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.228 -20.997 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.026 -21.849 -6.215 1.00 0.00 H new ATOM 214 N ALA A 17 5.256 -20.125 -9.637 1.00 0.00 N ATOM 215 CA ALA A 17 6.439 -19.858 -10.446 1.00 0.00 C ATOM 216 C ALA A 17 6.179 -18.743 -11.454 1.00 0.00 C ATOM 217 O ALA A 17 7.103 -18.045 -11.871 1.00 0.00 O ATOM 218 CB ALA A 17 6.885 -21.125 -11.160 1.00 0.00 C ATOM 0 H ALA A 17 4.525 -20.649 -10.118 1.00 0.00 H new ATOM 0 HA ALA A 17 7.236 -19.528 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.769 -20.912 -11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.123 -21.893 -10.424 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.083 -21.479 -11.808 1.00 0.00 H new ATOM 224 N GLU A 18 4.919 -18.583 -11.844 1.00 0.00 N ATOM 225 CA GLU A 18 4.541 -17.553 -12.806 1.00 0.00 C ATOM 226 C GLU A 18 3.984 -16.321 -12.099 1.00 0.00 C ATOM 227 O GLU A 18 4.425 -15.199 -12.350 1.00 0.00 O ATOM 228 CB GLU A 18 3.505 -18.101 -13.789 1.00 0.00 C ATOM 229 CG GLU A 18 4.119 -18.778 -15.004 1.00 0.00 C ATOM 230 CD GLU A 18 4.307 -17.826 -16.169 1.00 0.00 C ATOM 231 OE1 GLU A 18 3.304 -17.502 -16.838 1.00 0.00 O ATOM 232 OE2 GLU A 18 5.459 -17.406 -16.412 1.00 0.00 O ATOM 0 H GLU A 18 4.142 -19.153 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 18 5.436 -17.260 -13.355 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.866 -18.815 -13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.865 -17.284 -14.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.084 -19.205 -14.729 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.482 -19.606 -15.315 1.00 0.00 H new ATOM 239 N ALA A 19 3.012 -16.536 -11.219 1.00 0.00 N ATOM 240 CA ALA A 19 2.395 -15.441 -10.480 1.00 0.00 C ATOM 241 C ALA A 19 3.004 -15.301 -9.088 1.00 0.00 C ATOM 242 O ALA A 19 2.331 -14.879 -8.147 1.00 0.00 O ATOM 243 CB ALA A 19 0.892 -15.653 -10.383 1.00 0.00 C ATOM 0 H ALA A 19 2.635 -17.458 -11.000 1.00 0.00 H new ATOM 0 HA ALA A 19 2.587 -14.516 -11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.443 -14.829 -9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.465 -15.692 -11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.689 -16.591 -9.865 1.00 0.00 H new ATOM 249 N ALA A 20 4.278 -15.656 -8.965 1.00 0.00 N ATOM 250 CA ALA A 20 4.975 -15.567 -7.687 1.00 0.00 C ATOM 251 C ALA A 20 6.463 -15.302 -7.893 1.00 0.00 C ATOM 252 O ALA A 20 7.014 -14.343 -7.350 1.00 0.00 O ATOM 253 CB ALA A 20 4.766 -16.842 -6.883 1.00 0.00 C ATOM 0 H ALA A 20 4.849 -16.008 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 20 4.559 -14.729 -7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.292 -16.762 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.701 -16.985 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.155 -17.693 -7.442 1.00 0.00 H new ATOM 259 N GLN A 21 7.109 -16.156 -8.681 1.00 0.00 N ATOM 260 CA GLN A 21 8.532 -16.013 -8.958 1.00 0.00 C ATOM 261 C GLN A 21 8.784 -14.863 -9.930 1.00 0.00 C ATOM 262 O GLN A 21 9.831 -14.219 -9.886 1.00 0.00 O ATOM 263 CB GLN A 21 9.096 -17.316 -9.530 1.00 0.00 C ATOM 264 CG GLN A 21 9.772 -18.194 -8.490 1.00 0.00 C ATOM 265 CD GLN A 21 8.780 -18.867 -7.562 1.00 0.00 C ATOM 266 OE1 GLN A 21 8.384 -20.012 -7.783 1.00 0.00 O ATOM 267 NE2 GLN A 21 8.374 -18.158 -6.515 1.00 0.00 N ATOM 0 H GLN A 21 6.668 -16.954 -9.139 1.00 0.00 H new ATOM 0 HA GLN A 21 9.039 -15.789 -8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.287 -17.878 -9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.814 -17.078 -10.315 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.367 -18.956 -8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.462 -17.589 -7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.729 -17.213 -6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.708 -18.559 -5.855 1.00 0.00 H new ATOM 276 N ARG A 22 7.817 -14.613 -10.807 1.00 0.00 N ATOM 277 CA ARG A 22 7.935 -13.541 -11.789 1.00 0.00 C ATOM 278 C ARG A 22 7.206 -12.287 -11.317 1.00 0.00 C ATOM 279 O ARG A 22 6.708 -11.505 -12.127 1.00 0.00 O ATOM 280 CB ARG A 22 7.374 -13.993 -13.138 1.00 0.00 C ATOM 281 CG ARG A 22 8.049 -15.238 -13.691 1.00 0.00 C ATOM 282 CD ARG A 22 8.742 -14.957 -15.016 1.00 0.00 C ATOM 283 NE ARG A 22 7.807 -14.483 -16.034 1.00 0.00 N ATOM 284 CZ ARG A 22 8.062 -14.500 -17.340 1.00 0.00 C ATOM 285 NH1 ARG A 22 9.220 -14.967 -17.791 1.00 0.00 N ATOM 286 NH2 ARG A 22 7.156 -14.050 -18.197 1.00 0.00 N ATOM 0 H ARG A 22 6.944 -15.138 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 22 8.992 -13.303 -11.904 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.306 -14.185 -13.032 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.482 -13.181 -13.857 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.778 -15.608 -12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.307 -16.025 -13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.523 -14.211 -14.866 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.232 -15.865 -15.368 1.00 0.00 H new ATOM 0 HE ARG A 22 6.906 -14.118 -15.725 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.920 -15.315 -17.135 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.410 -14.978 -18.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.265 -13.691 -17.855 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.350 -14.063 -19.198 1.00 0.00 H new ATOM 300 N LEU A 23 7.146 -12.102 -10.003 1.00 0.00 N ATOM 301 CA LEU A 23 6.477 -10.942 -9.424 1.00 0.00 C ATOM 302 C LEU A 23 7.337 -10.303 -8.338 1.00 0.00 C ATOM 303 O LEU A 23 6.820 -9.712 -7.391 1.00 0.00 O ATOM 304 CB LEU A 23 5.120 -11.346 -8.845 1.00 0.00 C ATOM 305 CG LEU A 23 4.078 -10.227 -8.794 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.694 -9.790 -10.199 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.851 -10.678 -8.019 1.00 0.00 C ATOM 0 H LEU A 23 7.552 -12.740 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 23 6.322 -10.210 -10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.719 -12.168 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.272 -11.726 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 23 4.515 -9.372 -8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.952 -8.994 -10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.579 -9.425 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.276 -10.637 -10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.120 -9.870 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.412 -11.548 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.140 -10.940 -7.001 1.00 0.00 H new ATOM 319 N SER A 24 8.653 -10.426 -8.483 1.00 0.00 N ATOM 320 CA SER A 24 9.584 -9.859 -7.515 1.00 0.00 C ATOM 321 C SER A 24 9.876 -8.396 -7.835 1.00 0.00 C ATOM 322 O SER A 24 10.130 -7.592 -6.937 1.00 0.00 O ATOM 323 CB SER A 24 10.888 -10.660 -7.500 1.00 0.00 C ATOM 324 OG SER A 24 10.885 -11.620 -6.457 1.00 0.00 O ATOM 0 H SER A 24 9.098 -10.913 -9.261 1.00 0.00 H new ATOM 0 HA SER A 24 9.122 -9.912 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.022 -11.161 -8.459 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.733 -9.983 -7.373 1.00 0.00 H new ATOM 0 HG SER A 24 11.728 -12.120 -6.470 1.00 0.00 H new ATOM 330 N GLU A 25 9.838 -8.057 -9.120 1.00 0.00 N ATOM 331 CA GLU A 25 10.097 -6.690 -9.557 1.00 0.00 C ATOM 332 C GLU A 25 9.081 -5.728 -8.953 1.00 0.00 C ATOM 333 O GLU A 25 9.436 -4.641 -8.497 1.00 0.00 O ATOM 334 CB GLU A 25 10.054 -6.604 -11.085 1.00 0.00 C ATOM 335 CG GLU A 25 8.761 -7.127 -11.688 1.00 0.00 C ATOM 336 CD GLU A 25 8.974 -7.800 -13.030 1.00 0.00 C ATOM 337 OE1 GLU A 25 9.300 -7.091 -14.004 1.00 0.00 O ATOM 338 OE2 GLU A 25 8.816 -9.036 -13.106 1.00 0.00 O ATOM 0 H GLU A 25 9.631 -8.710 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 25 11.091 -6.405 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.191 -5.565 -11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.891 -7.168 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.304 -7.837 -10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.060 -6.301 -11.807 1.00 0.00 H new ATOM 345 N GLU A 26 7.816 -6.135 -8.952 1.00 0.00 N ATOM 346 CA GLU A 26 6.748 -5.310 -8.401 1.00 0.00 C ATOM 347 C GLU A 26 6.827 -5.267 -6.878 1.00 0.00 C ATOM 348 O GLU A 26 6.485 -4.261 -6.257 1.00 0.00 O ATOM 349 CB GLU A 26 5.382 -5.845 -8.841 1.00 0.00 C ATOM 350 CG GLU A 26 4.759 -5.058 -9.982 1.00 0.00 C ATOM 351 CD GLU A 26 3.388 -5.578 -10.368 1.00 0.00 C ATOM 352 OE1 GLU A 26 3.287 -6.767 -10.738 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.416 -4.796 -10.300 1.00 0.00 O ATOM 0 H GLU A 26 7.506 -7.031 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 26 6.871 -4.296 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.490 -6.886 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.704 -5.831 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.678 -4.010 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.417 -5.100 -10.850 1.00 0.00 H new ATOM 360 N LYS A 27 7.283 -6.366 -6.285 1.00 0.00 N ATOM 361 CA LYS A 27 7.410 -6.453 -4.835 1.00 0.00 C ATOM 362 C LYS A 27 8.519 -5.536 -4.332 1.00 0.00 C ATOM 363 O LYS A 27 8.444 -5.006 -3.223 1.00 0.00 O ATOM 364 CB LYS A 27 7.693 -7.896 -4.413 1.00 0.00 C ATOM 365 CG LYS A 27 7.716 -8.096 -2.906 1.00 0.00 C ATOM 366 CD LYS A 27 7.272 -9.500 -2.525 1.00 0.00 C ATOM 367 CE LYS A 27 8.361 -10.524 -2.804 1.00 0.00 C ATOM 368 NZ LYS A 27 8.418 -11.576 -1.752 1.00 0.00 N ATOM 0 H LYS A 27 7.570 -7.207 -6.785 1.00 0.00 H new ATOM 0 HA LYS A 27 6.468 -6.131 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.934 -8.548 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.653 -8.205 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.723 -7.916 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.063 -7.365 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.010 -9.525 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.373 -9.762 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.182 -10.989 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.326 -10.020 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.173 -12.254 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.615 -11.135 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.506 -12.075 -1.710 1.00 0.00 H new ATOM 382 N ALA A 28 9.547 -5.353 -5.154 1.00 0.00 N ATOM 383 CA ALA A 28 10.673 -4.499 -4.794 1.00 0.00 C ATOM 384 C ALA A 28 10.209 -3.071 -4.522 1.00 0.00 C ATOM 385 O ALA A 28 10.627 -2.447 -3.547 1.00 0.00 O ATOM 386 CB ALA A 28 11.723 -4.518 -5.894 1.00 0.00 C ATOM 0 H ALA A 28 9.624 -5.785 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 28 11.119 -4.889 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.557 -3.876 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.081 -5.537 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.284 -4.154 -6.823 1.00 0.00 H new ATOM 392 N GLN A 29 9.342 -2.562 -5.391 1.00 0.00 N ATOM 393 CA GLN A 29 8.819 -1.209 -5.245 1.00 0.00 C ATOM 394 C GLN A 29 7.816 -1.136 -4.100 1.00 0.00 C ATOM 395 O GLN A 29 7.688 -0.108 -3.435 1.00 0.00 O ATOM 396 CB GLN A 29 8.160 -0.750 -6.547 1.00 0.00 C ATOM 397 CG GLN A 29 8.986 -1.053 -7.788 1.00 0.00 C ATOM 398 CD GLN A 29 8.189 -1.769 -8.860 1.00 0.00 C ATOM 399 OE1 GLN A 29 6.961 -1.829 -8.802 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.885 -2.320 -9.847 1.00 0.00 N ATOM 0 H GLN A 29 8.987 -3.066 -6.204 1.00 0.00 H new ATOM 0 HA GLN A 29 9.654 -0.546 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.187 -1.232 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.980 0.324 -6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.379 -0.121 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.843 -1.665 -7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.902 -2.247 -9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.402 -2.817 -10.596 1.00 0.00 H new ATOM 409 N ALA A 30 7.104 -2.235 -3.875 1.00 0.00 N ATOM 410 CA ALA A 30 6.110 -2.300 -2.810 1.00 0.00 C ATOM 411 C ALA A 30 6.774 -2.408 -1.440 1.00 0.00 C ATOM 412 O ALA A 30 6.172 -2.070 -0.421 1.00 0.00 O ATOM 413 CB ALA A 30 5.170 -3.474 -3.037 1.00 0.00 C ATOM 0 H ALA A 30 7.197 -3.094 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 30 5.533 -1.376 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.433 -3.511 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.660 -3.352 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.742 -4.402 -3.047 1.00 0.00 H new ATOM 419 N SER A 31 8.018 -2.880 -1.421 1.00 0.00 N ATOM 420 CA SER A 31 8.760 -3.031 -0.175 1.00 0.00 C ATOM 421 C SER A 31 9.658 -1.823 0.077 1.00 0.00 C ATOM 422 O SER A 31 10.742 -1.952 0.646 1.00 0.00 O ATOM 423 CB SER A 31 9.601 -4.308 -0.209 1.00 0.00 C ATOM 424 OG SER A 31 9.822 -4.809 1.098 1.00 0.00 O ATOM 0 H SER A 31 8.532 -3.164 -2.255 1.00 0.00 H new ATOM 0 HA SER A 31 8.039 -3.100 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.096 -5.064 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.558 -4.104 -0.690 1.00 0.00 H new ATOM 0 HG SER A 31 10.361 -5.626 1.048 1.00 0.00 H new ATOM 430 N ALA A 32 9.199 -0.651 -0.352 1.00 0.00 N ATOM 431 CA ALA A 32 9.960 0.579 -0.172 1.00 0.00 C ATOM 432 C ALA A 32 9.039 1.746 0.164 1.00 0.00 C ATOM 433 O ALA A 32 9.301 2.509 1.095 1.00 0.00 O ATOM 434 CB ALA A 32 10.770 0.886 -1.423 1.00 0.00 C ATOM 0 H ALA A 32 8.304 -0.528 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 32 10.645 0.437 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.333 1.807 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.461 0.066 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.097 1.005 -2.272 1.00 0.00 H new ATOM 440 N ILE A 33 7.959 1.879 -0.599 1.00 0.00 N ATOM 441 CA ILE A 33 6.996 2.953 -0.381 1.00 0.00 C ATOM 442 C ILE A 33 6.179 2.706 0.882 1.00 0.00 C ATOM 443 O ILE A 33 5.560 1.654 1.037 1.00 0.00 O ATOM 444 CB ILE A 33 6.039 3.102 -1.579 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.828 3.189 -2.887 1.00 0.00 C ATOM 446 CG2 ILE A 33 5.157 4.329 -1.404 1.00 0.00 C ATOM 447 CD1 ILE A 33 6.039 2.746 -4.100 1.00 0.00 C ATOM 0 H ILE A 33 7.728 1.257 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 33 7.567 3.874 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 33 5.399 2.221 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.159 4.217 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.724 2.575 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.487 4.420 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.570 4.228 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.782 5.220 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.661 2.834 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.731 1.708 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.156 3.376 -4.210 1.00 0.00 H new ATOM 459 N SER A 34 6.179 3.684 1.783 1.00 0.00 N ATOM 460 CA SER A 34 5.436 3.572 3.032 1.00 0.00 C ATOM 461 C SER A 34 4.060 4.217 2.906 1.00 0.00 C ATOM 462 O SER A 34 3.816 5.011 1.998 1.00 0.00 O ATOM 463 CB SER A 34 6.216 4.225 4.174 1.00 0.00 C ATOM 464 OG SER A 34 7.039 3.280 4.835 1.00 0.00 O ATOM 0 H SER A 34 6.685 4.562 1.671 1.00 0.00 H new ATOM 0 HA SER A 34 5.302 2.513 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.830 5.036 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.521 4.668 4.887 1.00 0.00 H new ATOM 0 HG SER A 34 7.794 3.742 5.256 1.00 0.00 H new ATOM 470 N VAL A 35 3.162 3.868 3.822 1.00 0.00 N ATOM 471 CA VAL A 35 1.810 4.413 3.815 1.00 0.00 C ATOM 472 C VAL A 35 1.732 5.704 4.620 1.00 0.00 C ATOM 473 O VAL A 35 2.124 5.745 5.786 1.00 0.00 O ATOM 474 CB VAL A 35 0.795 3.404 4.385 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.627 3.905 4.187 1.00 0.00 C ATOM 476 CG2 VAL A 35 0.981 2.037 3.742 1.00 0.00 C ATOM 0 H VAL A 35 3.347 3.210 4.579 1.00 0.00 H new ATOM 0 HA VAL A 35 1.560 4.622 2.775 1.00 0.00 H new ATOM 0 HB VAL A 35 0.974 3.304 5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.329 3.178 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.752 4.859 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.821 4.038 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.255 1.338 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.832 2.118 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.989 1.675 3.942 1.00 0.00 H new ATOM 486 N GLY A 36 1.222 6.759 3.991 1.00 0.00 N ATOM 487 CA GLY A 36 1.101 8.038 4.666 1.00 0.00 C ATOM 488 C GLY A 36 2.145 9.038 4.208 1.00 0.00 C ATOM 489 O GLY A 36 2.587 9.883 4.987 1.00 0.00 O ATOM 0 H GLY A 36 0.891 6.750 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.107 8.447 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.194 7.888 5.742 1.00 0.00 H new ATOM 493 N SER A 37 2.541 8.941 2.944 1.00 0.00 N ATOM 494 CA SER A 37 3.541 9.844 2.386 1.00 0.00 C ATOM 495 C SER A 37 3.067 10.425 1.057 1.00 0.00 C ATOM 496 O SER A 37 2.399 9.748 0.275 1.00 0.00 O ATOM 497 CB SER A 37 4.869 9.111 2.191 1.00 0.00 C ATOM 498 OG SER A 37 5.691 9.231 3.339 1.00 0.00 O ATOM 0 H SER A 37 2.185 8.247 2.287 1.00 0.00 H new ATOM 0 HA SER A 37 3.687 10.664 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.680 8.058 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.389 9.518 1.324 1.00 0.00 H new ATOM 0 HG SER A 37 6.286 10.003 3.236 1.00 0.00 H new ATOM 504 N ARG A 38 3.420 11.681 0.807 1.00 0.00 N ATOM 505 CA ARG A 38 3.031 12.353 -0.427 1.00 0.00 C ATOM 506 C ARG A 38 3.923 11.919 -1.585 1.00 0.00 C ATOM 507 O ARG A 38 5.150 11.988 -1.498 1.00 0.00 O ATOM 508 CB ARG A 38 3.106 13.872 -0.253 1.00 0.00 C ATOM 509 CG ARG A 38 1.920 14.455 0.500 1.00 0.00 C ATOM 510 CD ARG A 38 2.252 14.702 1.963 1.00 0.00 C ATOM 511 NE ARG A 38 1.214 14.191 2.854 1.00 0.00 N ATOM 512 CZ ARG A 38 1.069 14.574 4.121 1.00 0.00 C ATOM 513 NH1 ARG A 38 1.894 15.470 4.649 1.00 0.00 N ATOM 514 NH2 ARG A 38 0.097 14.059 4.861 1.00 0.00 N ATOM 0 H ARG A 38 3.975 12.254 1.443 1.00 0.00 H new ATOM 0 HA ARG A 38 2.003 12.071 -0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.024 14.124 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.168 14.340 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.616 15.391 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.072 13.773 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.203 14.227 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.379 15.772 2.130 1.00 0.00 H new ATOM 0 HE ARG A 38 0.561 13.500 2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.644 15.869 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.778 15.760 5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.539 13.370 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.015 14.352 5.832 1.00 0.00 H new ATOM 528 N CYS A 39 3.301 11.471 -2.670 1.00 0.00 N ATOM 529 CA CYS A 39 4.038 11.024 -3.846 1.00 0.00 C ATOM 530 C CYS A 39 3.276 11.354 -5.125 1.00 0.00 C ATOM 531 O CYS A 39 2.051 11.477 -5.115 1.00 0.00 O ATOM 532 CB CYS A 39 4.301 9.519 -3.768 1.00 0.00 C ATOM 533 SG CYS A 39 4.951 8.966 -2.174 1.00 0.00 S ATOM 0 H CYS A 39 2.287 11.408 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 39 4.992 11.551 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.372 8.987 -3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.007 9.243 -4.552 1.00 0.00 H new ATOM 0 HG CYS A 39 5.401 9.989 -1.510 1.00 0.00 H new ATOM 539 N GLU A 40 4.008 11.495 -6.225 1.00 0.00 N ATOM 540 CA GLU A 40 3.400 11.810 -7.513 1.00 0.00 C ATOM 541 C GLU A 40 2.878 10.548 -8.192 1.00 0.00 C ATOM 542 O GLU A 40 3.429 9.461 -8.013 1.00 0.00 O ATOM 543 CB GLU A 40 4.413 12.508 -8.423 1.00 0.00 C ATOM 544 CG GLU A 40 4.651 13.967 -8.062 1.00 0.00 C ATOM 545 CD GLU A 40 5.111 14.792 -9.248 1.00 0.00 C ATOM 546 OE1 GLU A 40 5.670 14.205 -10.199 1.00 0.00 O ATOM 547 OE2 GLU A 40 4.913 16.025 -9.225 1.00 0.00 O ATOM 0 H GLU A 40 5.023 11.396 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 40 2.559 12.480 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.361 11.972 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.064 12.450 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.731 14.393 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.399 14.025 -7.271 1.00 0.00 H new ATOM 554 N VAL A 41 1.812 10.699 -8.972 1.00 0.00 N ATOM 555 CA VAL A 41 1.217 9.572 -9.679 1.00 0.00 C ATOM 556 C VAL A 41 0.959 9.915 -11.141 1.00 0.00 C ATOM 557 O VAL A 41 0.647 11.058 -11.477 1.00 0.00 O ATOM 558 CB VAL A 41 -0.109 9.135 -9.026 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.607 7.839 -9.644 1.00 0.00 C ATOM 560 CG2 VAL A 41 0.062 8.986 -7.521 1.00 0.00 C ATOM 0 H VAL A 41 1.343 11.591 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 41 1.931 8.751 -9.621 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.856 9.907 -9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.544 7.546 -9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.770 7.984 -10.712 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.136 7.055 -9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.884 8.677 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.823 8.234 -7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.369 9.940 -7.093 1.00 0.00 H new ATOM 570 N ARG A 42 1.091 8.917 -12.009 1.00 0.00 N ATOM 571 CA ARG A 42 0.872 9.111 -13.438 1.00 0.00 C ATOM 572 C ARG A 42 -0.400 8.402 -13.894 1.00 0.00 C ATOM 573 O ARG A 42 -0.447 7.174 -13.959 1.00 0.00 O ATOM 574 CB ARG A 42 2.075 8.596 -14.234 1.00 0.00 C ATOM 575 CG ARG A 42 2.911 9.703 -14.854 1.00 0.00 C ATOM 576 CD ARG A 42 2.198 10.347 -16.031 1.00 0.00 C ATOM 577 NE ARG A 42 1.988 9.404 -17.128 1.00 0.00 N ATOM 578 CZ ARG A 42 1.687 9.768 -18.372 1.00 0.00 C ATOM 579 NH1 ARG A 42 1.560 11.053 -18.683 1.00 0.00 N ATOM 580 NH2 ARG A 42 1.513 8.847 -19.309 1.00 0.00 N ATOM 0 H ARG A 42 1.349 7.965 -11.748 1.00 0.00 H new ATOM 0 HA ARG A 42 0.755 10.179 -13.622 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.707 7.999 -13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.721 7.933 -15.024 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.130 10.460 -14.101 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.867 9.297 -15.184 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.236 10.739 -15.701 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.782 11.195 -16.389 1.00 0.00 H new ATOM 0 HE ARG A 42 2.078 8.408 -16.928 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.693 11.767 -17.967 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.329 11.326 -19.638 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.610 7.859 -19.077 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.282 9.127 -20.262 1.00 0.00 H new ATOM 594 N ALA A 43 -1.428 9.183 -14.209 1.00 0.00 N ATOM 595 CA ALA A 43 -2.699 8.629 -14.658 1.00 0.00 C ATOM 596 C ALA A 43 -3.040 9.109 -16.067 1.00 0.00 C ATOM 597 O ALA A 43 -2.990 10.305 -16.351 1.00 0.00 O ATOM 598 CB ALA A 43 -3.810 9.006 -13.688 1.00 0.00 C ATOM 0 H ALA A 43 -1.405 10.202 -14.161 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.606 7.543 -14.684 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.754 8.586 -14.035 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.579 8.611 -12.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.894 10.091 -13.635 1.00 0.00 H new ATOM 604 N PRO A 44 -3.393 8.180 -16.976 1.00 0.00 N ATOM 605 CA PRO A 44 -3.741 8.523 -18.356 1.00 0.00 C ATOM 606 C PRO A 44 -5.144 9.114 -18.470 1.00 0.00 C ATOM 607 O PRO A 44 -6.005 8.569 -19.160 1.00 0.00 O ATOM 608 CB PRO A 44 -3.666 7.177 -19.077 1.00 0.00 C ATOM 609 CG PRO A 44 -4.006 6.174 -18.030 1.00 0.00 C ATOM 610 CD PRO A 44 -3.482 6.726 -16.730 1.00 0.00 C ATOM 0 HA PRO A 44 -3.080 9.284 -18.771 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.367 7.134 -19.911 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.672 7.001 -19.487 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.083 6.015 -17.979 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.552 5.209 -18.254 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.152 6.501 -15.900 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.510 6.302 -16.478 1.00 0.00 H new ATOM 618 N ASP A 45 -5.365 10.232 -17.788 1.00 0.00 N ATOM 619 CA ASP A 45 -6.662 10.898 -17.812 1.00 0.00 C ATOM 620 C ASP A 45 -6.500 12.404 -17.994 1.00 0.00 C ATOM 621 O ASP A 45 -7.131 13.006 -18.862 1.00 0.00 O ATOM 622 CB ASP A 45 -7.430 10.608 -16.520 1.00 0.00 C ATOM 623 CG ASP A 45 -8.415 9.466 -16.676 1.00 0.00 C ATOM 624 OD1 ASP A 45 -8.026 8.420 -17.235 1.00 0.00 O ATOM 625 OD2 ASP A 45 -9.575 9.620 -16.241 1.00 0.00 O ATOM 0 H ASP A 45 -4.663 10.696 -17.212 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.227 10.508 -18.659 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.723 10.368 -15.726 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.965 11.506 -16.209 1.00 0.00 H new ATOM 630 N HIS A 46 -5.649 13.006 -17.169 1.00 0.00 N ATOM 631 CA HIS A 46 -5.404 14.442 -17.239 1.00 0.00 C ATOM 632 C HIS A 46 -3.909 14.741 -17.222 1.00 0.00 C ATOM 633 O HIS A 46 -3.352 15.225 -18.207 1.00 0.00 O ATOM 634 CB HIS A 46 -6.093 15.154 -16.073 1.00 0.00 C ATOM 635 CG HIS A 46 -6.394 16.595 -16.346 1.00 0.00 C ATOM 636 ND1 HIS A 46 -7.193 17.013 -17.391 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.002 17.720 -15.701 1.00 0.00 C ATOM 638 CE1 HIS A 46 -7.275 18.332 -17.378 1.00 0.00 C ATOM 639 NE2 HIS A 46 -6.564 18.784 -16.364 1.00 0.00 N ATOM 0 H HIS A 46 -5.118 12.522 -16.445 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.818 14.811 -18.177 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.023 14.635 -15.839 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.458 15.085 -15.190 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.367 17.771 -14.829 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.830 18.937 -18.079 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.450 19.766 -16.112 1.00 0.00 H new ATOM 648 N SER A 47 -3.265 14.452 -16.096 1.00 0.00 N ATOM 649 CA SER A 47 -1.833 14.690 -15.951 1.00 0.00 C ATOM 650 C SER A 47 -1.343 14.230 -14.581 1.00 0.00 C ATOM 651 O SER A 47 -2.094 13.634 -13.810 1.00 0.00 O ATOM 652 CB SER A 47 -1.520 16.175 -16.147 1.00 0.00 C ATOM 653 OG SER A 47 -1.077 16.433 -17.468 1.00 0.00 O ATOM 0 H SER A 47 -3.712 14.053 -15.271 1.00 0.00 H new ATOM 0 HA SER A 47 -1.313 14.113 -16.716 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.410 16.768 -15.936 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.754 16.485 -15.436 1.00 0.00 H new ATOM 0 HG SER A 47 -1.735 16.088 -18.107 1.00 0.00 H new ATOM 659 N LEU A 48 -0.077 14.510 -14.286 1.00 0.00 N ATOM 660 CA LEU A 48 0.515 14.124 -13.011 1.00 0.00 C ATOM 661 C LEU A 48 -0.236 14.764 -11.846 1.00 0.00 C ATOM 662 O LEU A 48 -0.602 15.938 -11.901 1.00 0.00 O ATOM 663 CB LEU A 48 1.991 14.526 -12.967 1.00 0.00 C ATOM 664 CG LEU A 48 2.978 13.408 -13.306 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.222 13.976 -13.971 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.349 12.628 -12.054 1.00 0.00 C ATOM 0 H LEU A 48 0.558 15.003 -14.913 1.00 0.00 H new ATOM 0 HA LEU A 48 0.439 13.041 -12.916 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.148 15.351 -13.662 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.220 14.901 -11.970 1.00 0.00 H new ATOM 0 HG LEU A 48 2.497 12.725 -14.007 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.912 13.165 -14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.941 14.489 -14.891 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.706 14.681 -13.295 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.052 11.836 -12.313 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.810 13.300 -11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.451 12.188 -11.620 1.00 0.00 H new ATOM 678 N ARG A 49 -0.459 13.983 -10.795 1.00 0.00 N ATOM 679 CA ARG A 49 -1.165 14.471 -9.616 1.00 0.00 C ATOM 680 C ARG A 49 -0.413 14.103 -8.341 1.00 0.00 C ATOM 681 O ARG A 49 0.357 13.143 -8.318 1.00 0.00 O ATOM 682 CB ARG A 49 -2.583 13.896 -9.570 1.00 0.00 C ATOM 683 CG ARG A 49 -3.390 14.168 -10.828 1.00 0.00 C ATOM 684 CD ARG A 49 -4.268 15.398 -10.671 1.00 0.00 C ATOM 685 NE ARG A 49 -3.623 16.601 -11.192 1.00 0.00 N ATOM 686 CZ ARG A 49 -3.420 16.830 -12.487 1.00 0.00 C ATOM 687 NH1 ARG A 49 -3.815 15.946 -13.395 1.00 0.00 N ATOM 688 NH2 ARG A 49 -2.821 17.948 -12.877 1.00 0.00 N ATOM 0 H ARG A 49 -0.161 13.009 -10.735 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.223 15.557 -9.682 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.525 12.819 -9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.109 14.316 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.714 14.307 -11.672 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.012 13.303 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.212 15.238 -11.192 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.506 15.542 -9.617 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.310 17.306 -10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.277 15.085 -13.102 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.656 16.127 -14.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.516 18.632 -12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.665 18.124 -13.870 1.00 0.00 H new ATOM 702 N ARG A 50 -0.642 14.873 -7.281 1.00 0.00 N ATOM 703 CA ARG A 50 0.014 14.626 -6.003 1.00 0.00 C ATOM 704 C ARG A 50 -0.950 13.983 -5.012 1.00 0.00 C ATOM 705 O ARG A 50 -1.982 14.562 -4.671 1.00 0.00 O ATOM 706 CB ARG A 50 0.561 15.933 -5.426 1.00 0.00 C ATOM 707 CG ARG A 50 1.948 16.290 -5.935 1.00 0.00 C ATOM 708 CD ARG A 50 3.027 15.904 -4.934 1.00 0.00 C ATOM 709 NE ARG A 50 4.362 16.273 -5.398 1.00 0.00 N ATOM 710 CZ ARG A 50 5.421 16.380 -4.600 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.307 16.146 -3.298 1.00 0.00 N ATOM 712 NH2 ARG A 50 6.599 16.719 -5.104 1.00 0.00 N ATOM 0 H ARG A 50 -1.276 15.672 -7.283 1.00 0.00 H new ATOM 0 HA ARG A 50 0.842 13.938 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.126 16.743 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.591 15.856 -4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.131 15.782 -6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.000 17.361 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.827 16.392 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.989 14.829 -4.757 1.00 0.00 H new ATOM 0 HE ARG A 50 4.490 16.460 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.404 15.882 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.123 16.230 -2.691 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.694 16.898 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.411 16.801 -4.492 1.00 0.00 H new ATOM 726 N GLY A 51 -0.609 12.782 -4.555 1.00 0.00 N ATOM 727 CA GLY A 51 -1.456 12.081 -3.608 1.00 0.00 C ATOM 728 C GLY A 51 -0.674 11.503 -2.445 1.00 0.00 C ATOM 729 O GLY A 51 0.518 11.771 -2.296 1.00 0.00 O ATOM 0 H GLY A 51 0.239 12.282 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.214 12.766 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.983 11.277 -4.123 1.00 0.00 H new ATOM 733 N THR A 52 -1.347 10.708 -1.619 1.00 0.00 N ATOM 734 CA THR A 52 -0.709 10.089 -0.463 1.00 0.00 C ATOM 735 C THR A 52 -0.966 8.587 -0.438 1.00 0.00 C ATOM 736 O THR A 52 -2.046 8.125 -0.808 1.00 0.00 O ATOM 737 CB THR A 52 -1.222 10.727 0.829 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.443 12.114 0.651 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.272 10.561 1.997 1.00 0.00 C ATOM 0 H THR A 52 -2.334 10.477 -1.729 1.00 0.00 H new ATOM 0 HA THR A 52 0.366 10.253 -0.541 1.00 0.00 H new ATOM 0 HB THR A 52 -2.151 10.205 1.059 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.772 12.503 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.696 11.036 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.119 9.500 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.684 11.027 1.758 1.00 0.00 H new ATOM 747 N VAL A 53 0.033 7.827 0.000 1.00 0.00 N ATOM 748 CA VAL A 53 -0.086 6.375 0.073 1.00 0.00 C ATOM 749 C VAL A 53 -1.011 5.956 1.210 1.00 0.00 C ATOM 750 O VAL A 53 -0.834 6.377 2.353 1.00 0.00 O ATOM 751 CB VAL A 53 1.288 5.708 0.271 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.172 4.198 0.142 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.298 6.261 -0.725 1.00 0.00 C ATOM 0 H VAL A 53 0.934 8.192 0.310 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.508 6.044 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 53 1.642 5.936 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.153 3.744 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.484 3.820 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.796 3.945 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.263 5.778 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.953 6.065 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.402 7.336 -0.578 1.00 0.00 H new ATOM 763 N MET A 54 -1.998 5.126 0.888 1.00 0.00 N ATOM 764 CA MET A 54 -2.952 4.650 1.884 1.00 0.00 C ATOM 765 C MET A 54 -2.872 3.134 2.036 1.00 0.00 C ATOM 766 O MET A 54 -2.954 2.607 3.144 1.00 0.00 O ATOM 767 CB MET A 54 -4.373 5.060 1.493 1.00 0.00 C ATOM 768 CG MET A 54 -4.546 6.559 1.311 1.00 0.00 C ATOM 769 SD MET A 54 -6.185 6.999 0.701 1.00 0.00 S ATOM 770 CE MET A 54 -6.116 6.340 -0.963 1.00 0.00 C ATOM 0 H MET A 54 -2.158 4.769 -0.054 1.00 0.00 H new ATOM 0 HA MET A 54 -2.698 5.106 2.841 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.645 4.556 0.566 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.066 4.713 2.259 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.370 7.060 2.263 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.792 6.926 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.054 6.550 -1.477 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.293 6.806 -1.505 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.959 5.262 -0.921 1.00 0.00 H new ATOM 780 N TYR A 55 -2.710 2.438 0.915 1.00 0.00 N ATOM 781 CA TYR A 55 -2.620 0.984 0.924 1.00 0.00 C ATOM 782 C TYR A 55 -1.570 0.498 -0.070 1.00 0.00 C ATOM 783 O TYR A 55 -1.425 1.058 -1.158 1.00 0.00 O ATOM 784 CB TYR A 55 -3.979 0.366 0.590 1.00 0.00 C ATOM 785 CG TYR A 55 -4.120 -1.071 1.039 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.567 -2.108 0.298 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.808 -1.391 2.204 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.695 -3.423 0.705 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.939 -2.703 2.618 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.381 -3.715 1.865 1.00 0.00 C ATOM 791 OH TYR A 55 -4.509 -5.023 2.273 1.00 0.00 O ATOM 0 H TYR A 55 -2.638 2.859 -0.011 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.321 0.670 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.764 0.962 1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.137 0.418 -0.487 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.028 -1.883 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.247 -0.601 2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.260 -4.218 0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.475 -2.935 3.526 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.019 -5.056 3.109 1.00 0.00 H new ATOM 801 N VAL A 56 -0.840 -0.545 0.310 1.00 0.00 N ATOM 802 CA VAL A 56 0.196 -1.105 -0.548 1.00 0.00 C ATOM 803 C VAL A 56 0.222 -2.626 -0.459 1.00 0.00 C ATOM 804 O VAL A 56 0.569 -3.192 0.579 1.00 0.00 O ATOM 805 CB VAL A 56 1.589 -0.557 -0.181 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.624 -0.997 -1.204 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.551 0.959 -0.065 1.00 0.00 C ATOM 0 H VAL A 56 -0.947 -1.019 1.207 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.046 -0.807 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 56 1.877 -0.965 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.601 -0.600 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.669 -2.086 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.345 -0.621 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.543 1.329 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.241 1.389 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.842 1.247 0.711 1.00 0.00 H new ATOM 817 N GLY A 57 -0.146 -3.285 -1.553 1.00 0.00 N ATOM 818 CA GLY A 57 -0.158 -4.735 -1.577 1.00 0.00 C ATOM 819 C GLY A 57 -0.891 -5.290 -2.783 1.00 0.00 C ATOM 820 O GLY A 57 -1.176 -4.560 -3.733 1.00 0.00 O ATOM 0 H GLY A 57 -0.436 -2.840 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.868 -5.104 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.629 -5.106 -0.667 1.00 0.00 H new ATOM 824 N LEU A 58 -1.196 -6.582 -2.745 1.00 0.00 N ATOM 825 CA LEU A 58 -1.899 -7.234 -3.843 1.00 0.00 C ATOM 826 C LEU A 58 -3.404 -7.008 -3.735 1.00 0.00 C ATOM 827 O LEU A 58 -3.902 -6.568 -2.698 1.00 0.00 O ATOM 828 CB LEU A 58 -1.596 -8.733 -3.853 1.00 0.00 C ATOM 829 CG LEU A 58 -0.153 -9.099 -4.216 1.00 0.00 C ATOM 830 CD1 LEU A 58 0.446 -10.023 -3.166 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.096 -9.747 -5.592 1.00 0.00 C ATOM 0 H LEU A 58 -0.967 -7.199 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.549 -6.794 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.822 -9.141 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.267 -9.220 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 58 0.436 -8.182 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.471 -10.271 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.442 -9.524 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.145 -10.937 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.937 -10.000 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.701 -10.654 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.482 -9.052 -6.338 1.00 0.00 H new ATOM 843 N THR A 59 -4.122 -7.310 -4.811 1.00 0.00 N ATOM 844 CA THR A 59 -5.570 -7.141 -4.837 1.00 0.00 C ATOM 845 C THR A 59 -6.246 -8.344 -5.486 1.00 0.00 C ATOM 846 O THR A 59 -5.596 -9.341 -5.796 1.00 0.00 O ATOM 847 CB THR A 59 -5.941 -5.863 -5.591 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.590 -5.969 -6.959 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.267 -4.626 -5.039 1.00 0.00 C ATOM 0 H THR A 59 -3.725 -7.673 -5.677 1.00 0.00 H new ATOM 0 HA THR A 59 -5.921 -7.062 -3.808 1.00 0.00 H new ATOM 0 HB THR A 59 -7.019 -5.756 -5.467 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.907 -5.300 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.573 -3.755 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.556 -4.488 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.185 -4.742 -5.103 1.00 0.00 H new ATOM 857 N ASP A 60 -7.557 -8.244 -5.685 1.00 0.00 N ATOM 858 CA ASP A 60 -8.322 -9.326 -6.296 1.00 0.00 C ATOM 859 C ASP A 60 -8.885 -8.900 -7.648 1.00 0.00 C ATOM 860 O ASP A 60 -8.946 -9.695 -8.584 1.00 0.00 O ATOM 861 CB ASP A 60 -9.460 -9.759 -5.370 1.00 0.00 C ATOM 862 CG ASP A 60 -9.047 -10.877 -4.432 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.993 -12.041 -4.883 1.00 0.00 O ATOM 864 OD2 ASP A 60 -8.778 -10.588 -3.247 1.00 0.00 O ATOM 0 H ASP A 60 -8.111 -7.426 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.649 -10.169 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.795 -8.902 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.309 -10.087 -5.970 1.00 0.00 H new ATOM 869 N PHE A 61 -9.296 -7.638 -7.743 1.00 0.00 N ATOM 870 CA PHE A 61 -9.854 -7.109 -8.982 1.00 0.00 C ATOM 871 C PHE A 61 -8.822 -7.151 -10.104 1.00 0.00 C ATOM 872 O PHE A 61 -9.171 -7.300 -11.275 1.00 0.00 O ATOM 873 CB PHE A 61 -10.343 -5.674 -8.775 1.00 0.00 C ATOM 874 CG PHE A 61 -9.286 -4.747 -8.245 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.437 -4.077 -9.110 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.144 -4.545 -6.881 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.465 -3.223 -8.625 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.175 -3.692 -6.391 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.334 -3.030 -7.263 1.00 0.00 C ATOM 0 H PHE A 61 -9.253 -6.965 -6.978 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.700 -7.735 -9.267 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.713 -5.285 -9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.186 -5.683 -8.084 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.536 -4.224 -10.175 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.799 -5.061 -6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.808 -2.707 -9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.075 -3.543 -5.326 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.575 -2.363 -6.881 1.00 0.00 H new ATOM 889 N LYS A 62 -7.552 -7.018 -9.739 1.00 0.00 N ATOM 890 CA LYS A 62 -6.470 -7.043 -10.715 1.00 0.00 C ATOM 891 C LYS A 62 -5.185 -7.584 -10.089 1.00 0.00 C ATOM 892 O LYS A 62 -4.920 -7.360 -8.909 1.00 0.00 O ATOM 893 CB LYS A 62 -6.228 -5.639 -11.274 1.00 0.00 C ATOM 894 CG LYS A 62 -6.930 -5.382 -12.598 1.00 0.00 C ATOM 895 CD LYS A 62 -7.290 -3.914 -12.760 1.00 0.00 C ATOM 896 CE LYS A 62 -8.391 -3.722 -13.792 1.00 0.00 C ATOM 897 NZ LYS A 62 -9.154 -2.464 -13.563 1.00 0.00 N ATOM 0 H LYS A 62 -7.247 -6.892 -8.774 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.763 -7.705 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.566 -4.903 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.156 -5.489 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.285 -5.693 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.834 -5.988 -12.656 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.614 -3.509 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.406 -3.352 -13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.954 -3.705 -14.790 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.073 -4.572 -13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.895 -2.370 -14.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.593 -2.491 -12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.508 -1.651 -13.621 1.00 0.00 H new ATOM 911 N PRO A 63 -4.370 -8.309 -10.875 1.00 0.00 N ATOM 912 CA PRO A 63 -3.112 -8.881 -10.388 1.00 0.00 C ATOM 913 C PRO A 63 -2.025 -7.827 -10.211 1.00 0.00 C ATOM 914 O PRO A 63 -2.194 -6.673 -10.608 1.00 0.00 O ATOM 915 CB PRO A 63 -2.728 -9.867 -11.492 1.00 0.00 C ATOM 916 CG PRO A 63 -3.336 -9.303 -12.728 1.00 0.00 C ATOM 917 CD PRO A 63 -4.610 -8.626 -12.296 1.00 0.00 C ATOM 0 HA PRO A 63 -3.223 -9.339 -9.405 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.646 -9.954 -11.587 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.111 -10.866 -11.282 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.660 -8.593 -13.206 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.540 -10.089 -13.456 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.804 -7.726 -12.880 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.473 -9.279 -12.421 1.00 0.00 H new ATOM 925 N GLY A 64 -0.909 -8.230 -9.613 1.00 0.00 N ATOM 926 CA GLY A 64 0.190 -7.307 -9.394 1.00 0.00 C ATOM 927 C GLY A 64 0.000 -6.465 -8.148 1.00 0.00 C ATOM 928 O GLY A 64 -1.062 -6.496 -7.526 1.00 0.00 O ATOM 0 H GLY A 64 -0.746 -9.179 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.121 -7.868 -9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.289 -6.652 -10.260 1.00 0.00 H new ATOM 932 N TYR A 65 1.031 -5.712 -7.783 1.00 0.00 N ATOM 933 CA TYR A 65 0.974 -4.857 -6.602 1.00 0.00 C ATOM 934 C TYR A 65 0.253 -3.549 -6.912 1.00 0.00 C ATOM 935 O TYR A 65 0.618 -2.832 -7.843 1.00 0.00 O ATOM 936 CB TYR A 65 2.384 -4.565 -6.088 1.00 0.00 C ATOM 937 CG TYR A 65 2.927 -5.635 -5.166 1.00 0.00 C ATOM 938 CD1 TYR A 65 3.443 -6.820 -5.675 1.00 0.00 C ATOM 939 CD2 TYR A 65 2.921 -5.460 -3.789 1.00 0.00 C ATOM 940 CE1 TYR A 65 3.939 -7.800 -4.837 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.416 -6.435 -2.943 1.00 0.00 C ATOM 942 CZ TYR A 65 3.924 -7.603 -3.473 1.00 0.00 C ATOM 943 OH TYR A 65 4.417 -8.576 -2.634 1.00 0.00 O ATOM 0 H TYR A 65 1.917 -5.676 -8.287 1.00 0.00 H new ATOM 0 HA TYR A 65 0.416 -5.385 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.056 -4.455 -6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.379 -3.611 -5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.457 -6.978 -6.743 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.523 -4.547 -3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.337 -8.716 -5.249 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.405 -6.283 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 65 4.333 -8.279 -1.704 1.00 0.00 H new ATOM 953 N TRP A 66 -0.772 -3.244 -6.123 1.00 0.00 N ATOM 954 CA TRP A 66 -1.545 -2.021 -6.312 1.00 0.00 C ATOM 955 C TRP A 66 -1.384 -1.086 -5.119 1.00 0.00 C ATOM 956 O TRP A 66 -1.159 -1.531 -3.994 1.00 0.00 O ATOM 957 CB TRP A 66 -3.024 -2.355 -6.518 1.00 0.00 C ATOM 958 CG TRP A 66 -3.316 -2.961 -7.857 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.337 -4.291 -8.167 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.628 -2.261 -9.066 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.642 -4.460 -9.496 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.826 -3.229 -10.070 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.759 -0.910 -9.399 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.148 -2.889 -11.380 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.080 -0.573 -10.700 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.272 -1.559 -11.678 1.00 0.00 C ATOM 0 H TRP A 66 -1.087 -3.826 -5.347 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.167 -1.515 -7.200 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.345 -3.045 -5.737 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.614 -1.446 -6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.142 -5.092 -7.470 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.719 -5.356 -9.977 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.612 -0.143 -8.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.295 -3.647 -12.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.185 0.468 -10.968 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.523 -1.263 -12.686 1.00 0.00 H new ATOM 977 N VAL A 67 -1.499 0.214 -5.374 1.00 0.00 N ATOM 978 CA VAL A 67 -1.364 1.213 -4.320 1.00 0.00 C ATOM 979 C VAL A 67 -2.521 2.206 -4.355 1.00 0.00 C ATOM 980 O VAL A 67 -2.820 2.790 -5.397 1.00 0.00 O ATOM 981 CB VAL A 67 -0.038 1.985 -4.444 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.176 2.880 -3.233 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.127 1.021 -4.615 1.00 0.00 C ATOM 0 H VAL A 67 -1.685 0.599 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.376 0.676 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.090 2.618 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.118 3.417 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.643 3.595 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.206 2.270 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.056 1.585 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.182 0.360 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.978 0.427 -5.517 1.00 0.00 H new ATOM 993 N GLY A 68 -3.168 2.394 -3.210 1.00 0.00 N ATOM 994 CA GLY A 68 -4.284 3.318 -3.130 1.00 0.00 C ATOM 995 C GLY A 68 -3.847 4.726 -2.778 1.00 0.00 C ATOM 996 O GLY A 68 -3.566 5.024 -1.617 1.00 0.00 O ATOM 0 H GLY A 68 -2.939 1.922 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.809 3.332 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.993 2.963 -2.382 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.788 5.593 -3.783 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.381 6.977 -3.574 1.00 0.00 C ATOM 1002 C VAL A 69 -4.571 7.924 -3.696 1.00 0.00 C ATOM 1003 O VAL A 69 -5.348 7.842 -4.647 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.298 7.404 -4.582 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.744 8.774 -4.226 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.184 6.369 -4.638 1.00 0.00 C ATOM 0 H VAL A 69 -4.017 5.362 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.972 7.036 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.754 7.469 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.980 9.057 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.550 9.508 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.304 8.741 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.428 6.687 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.730 6.269 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.595 5.408 -4.947 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.708 8.821 -2.725 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.804 9.785 -2.724 1.00 0.00 C ATOM 1018 C ARG A 70 -5.286 11.197 -2.969 1.00 0.00 C ATOM 1019 O ARG A 70 -4.278 11.609 -2.396 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.557 9.728 -1.394 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.755 10.663 -1.333 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.818 11.405 -0.008 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.623 12.214 0.223 1.00 0.00 N ATOM 1024 CZ ARG A 70 -6.564 13.215 1.099 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -7.627 13.532 1.829 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -5.438 13.900 1.247 1.00 0.00 N ATOM 0 H ARG A 70 -4.075 8.901 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.487 9.524 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.895 8.706 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.870 9.978 -0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.699 11.381 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.672 10.091 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.699 12.047 0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.933 10.687 0.804 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.786 11.999 -0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.495 13.008 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.575 14.300 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.618 13.660 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.392 14.667 1.918 1.00 0.00 H new ATOM 1040 N TYR A 71 -5.984 11.937 -3.824 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.596 13.305 -4.146 1.00 0.00 C ATOM 1042 C TYR A 71 -6.455 14.309 -3.384 1.00 0.00 C ATOM 1043 O TYR A 71 -7.395 13.931 -2.685 1.00 0.00 O ATOM 1044 CB TYR A 71 -5.719 13.553 -5.652 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.094 12.465 -6.497 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -3.717 12.397 -6.667 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -5.881 11.508 -7.123 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.142 11.406 -7.439 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.313 10.513 -7.896 1.00 0.00 C ATOM 1050 CZ TYR A 71 -3.944 10.466 -8.051 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.376 9.477 -8.820 1.00 0.00 O ATOM 0 H TYR A 71 -6.822 11.612 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.557 13.440 -3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.774 13.643 -5.912 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.248 14.506 -5.895 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.086 13.131 -6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.954 11.542 -7.004 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.070 11.368 -7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.939 9.776 -8.376 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.080 8.896 -9.178 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.125 15.589 -3.523 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.866 16.647 -2.846 1.00 0.00 C ATOM 1063 C ASP A 72 -8.167 16.955 -3.582 1.00 0.00 C ATOM 1064 O ASP A 72 -9.254 16.838 -3.016 1.00 0.00 O ATOM 1065 CB ASP A 72 -6.010 17.911 -2.743 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.483 18.139 -1.339 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -4.502 17.466 -0.957 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -6.051 18.989 -0.622 1.00 0.00 O ATOM 0 H ASP A 72 -5.350 15.918 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.112 16.302 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.171 17.836 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.601 18.773 -3.051 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.048 17.350 -4.845 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.215 17.675 -5.656 1.00 0.00 C ATOM 1075 C GLU A 73 -9.763 16.428 -6.346 1.00 0.00 C ATOM 1076 O GLU A 73 -9.011 15.515 -6.685 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.855 18.734 -6.701 1.00 0.00 C ATOM 1078 CG GLU A 73 -9.090 20.160 -6.229 1.00 0.00 C ATOM 1079 CD GLU A 73 -7.848 21.023 -6.335 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -6.754 20.536 -5.980 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -7.969 22.187 -6.772 1.00 0.00 O ATOM 0 H GLU A 73 -7.156 17.453 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.987 18.072 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.806 18.619 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.442 18.557 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.890 20.607 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.429 20.144 -5.193 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.090 16.374 -6.562 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.737 15.230 -7.215 1.00 0.00 C ATOM 1090 C PRO A 74 -11.108 14.904 -8.566 1.00 0.00 C ATOM 1091 O PRO A 74 -11.547 15.404 -9.603 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.185 15.692 -7.397 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.388 16.730 -6.349 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.062 17.419 -6.191 1.00 0.00 C ATOM 0 HA PRO A 74 -11.639 14.318 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.348 16.100 -8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.883 14.864 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.163 17.437 -6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.709 16.280 -5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.982 18.291 -6.840 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.909 17.767 -5.169 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.080 14.062 -8.547 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.392 13.670 -9.771 1.00 0.00 C ATOM 1104 C LEU A 75 -9.047 12.183 -9.749 1.00 0.00 C ATOM 1105 O LEU A 75 -8.046 11.760 -10.325 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.118 14.497 -9.953 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.330 16.011 -10.000 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.995 16.738 -9.959 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -9.113 16.399 -11.246 1.00 0.00 C ATOM 0 H LEU A 75 -9.705 13.638 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.062 13.858 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.434 14.266 -9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.629 14.185 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.908 16.307 -9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.165 17.814 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.470 16.483 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.391 16.439 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.255 17.479 -11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.561 16.091 -12.134 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.085 15.905 -11.234 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.885 11.398 -9.079 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.652 9.968 -8.994 1.00 0.00 C ATOM 1123 C GLY A 76 -10.651 9.168 -9.805 1.00 0.00 C ATOM 1124 O GLY A 76 -11.446 9.733 -10.557 1.00 0.00 O ATOM 0 H GLY A 76 -10.720 11.726 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.644 9.746 -9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.703 9.656 -7.951 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.612 7.848 -9.654 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.521 6.967 -10.378 1.00 0.00 C ATOM 1130 C LYS A 77 -12.274 6.053 -9.416 1.00 0.00 C ATOM 1131 O LYS A 77 -13.485 5.870 -9.540 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.747 6.129 -11.397 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.199 6.938 -12.561 1.00 0.00 C ATOM 1134 CD LYS A 77 -9.396 6.069 -13.515 1.00 0.00 C ATOM 1135 CE LYS A 77 -7.966 5.889 -13.034 1.00 0.00 C ATOM 1136 NZ LYS A 77 -7.073 5.389 -14.115 1.00 0.00 N ATOM 0 H LYS A 77 -9.960 7.365 -9.036 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.247 7.587 -10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.920 5.630 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.401 5.348 -11.785 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.023 7.406 -13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.568 7.742 -12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.874 5.094 -13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.393 6.522 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.586 6.840 -12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.950 5.190 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.107 5.280 -13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.420 4.469 -14.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.067 6.068 -14.903 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.549 5.484 -8.459 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.149 4.590 -7.476 1.00 0.00 C ATOM 1152 C ASN A 78 -12.673 5.374 -6.276 1.00 0.00 C ATOM 1153 O ASN A 78 -12.513 6.592 -6.202 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.128 3.549 -7.013 1.00 0.00 C ATOM 1155 CG ASN A 78 -10.685 2.634 -8.139 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.252 1.561 -8.342 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -9.665 3.057 -8.877 1.00 0.00 N ATOM 0 H ASN A 78 -10.546 5.626 -8.343 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.988 4.081 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.258 4.057 -6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.561 2.951 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.322 2.485 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.225 3.954 -8.672 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.297 4.667 -5.340 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.843 5.297 -4.144 1.00 0.00 C ATOM 1166 C ASP A 79 -13.121 4.809 -2.892 1.00 0.00 C ATOM 1167 O ASP A 79 -12.874 5.581 -1.966 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.341 5.006 -4.028 1.00 0.00 C ATOM 1169 CG ASP A 79 -16.010 5.841 -2.954 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.537 5.812 -1.799 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -17.008 6.524 -3.269 1.00 0.00 O ATOM 0 H ASP A 79 -13.437 3.658 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.693 6.373 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.821 5.200 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.487 3.949 -3.806 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.784 3.523 -2.873 1.00 0.00 N ATOM 1177 CA GLY A 80 -12.093 2.955 -1.731 1.00 0.00 C ATOM 1178 C GLY A 80 -12.291 1.457 -1.620 1.00 0.00 C ATOM 1179 O GLY A 80 -11.325 0.704 -1.502 1.00 0.00 O ATOM 0 H GLY A 80 -12.977 2.865 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.028 3.173 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.450 3.434 -0.819 1.00 0.00 H new ATOM 1183 N SER A 81 -13.546 1.024 -1.659 1.00 0.00 N ATOM 1184 CA SER A 81 -13.868 -0.395 -1.563 1.00 0.00 C ATOM 1185 C SER A 81 -14.229 -0.965 -2.931 1.00 0.00 C ATOM 1186 O SER A 81 -15.220 -0.562 -3.540 1.00 0.00 O ATOM 1187 CB SER A 81 -15.025 -0.613 -0.586 1.00 0.00 C ATOM 1188 OG SER A 81 -16.132 0.210 -0.915 1.00 0.00 O ATOM 0 H SER A 81 -14.357 1.635 -1.756 1.00 0.00 H new ATOM 0 HA SER A 81 -12.986 -0.917 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.328 -1.660 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.694 -0.394 0.429 1.00 0.00 H new ATOM 0 HG SER A 81 -16.229 0.254 -1.889 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.418 -1.902 -3.409 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.652 -2.525 -4.706 1.00 0.00 C ATOM 1196 C VAL A 82 -13.835 -4.034 -4.567 1.00 0.00 C ATOM 1197 O VAL A 82 -13.034 -4.710 -3.923 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.491 -2.249 -5.680 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.839 -2.734 -7.079 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.145 -0.769 -5.691 1.00 0.00 C ATOM 0 H VAL A 82 -12.593 -2.247 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.565 -2.086 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.615 -2.801 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.006 -2.530 -7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.032 -3.807 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.728 -2.213 -7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.323 -0.593 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.016 -0.194 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.848 -0.457 -4.690 1.00 0.00 H new ATOM 1210 N ASN A 83 -14.897 -4.552 -5.176 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.188 -5.981 -5.122 1.00 0.00 C ATOM 1212 C ASN A 83 -15.376 -6.447 -3.682 1.00 0.00 C ATOM 1213 O ASN A 83 -15.162 -7.616 -3.365 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.064 -6.776 -5.786 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.294 -6.966 -7.273 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.781 -5.922 -7.934 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.036 -8.038 -7.820 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.570 -4.004 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.117 -6.157 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.116 -6.261 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -13.979 -7.751 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.663 -8.813 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.195 -8.151 -8.821 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.780 -5.524 -2.815 1.00 0.00 N ATOM 1225 CA GLY A 84 -15.992 -5.859 -1.419 1.00 0.00 C ATOM 1226 C GLY A 84 -14.773 -5.583 -0.559 1.00 0.00 C ATOM 1227 O GLY A 84 -14.900 -5.281 0.628 1.00 0.00 O ATOM 0 H GLY A 84 -15.964 -4.550 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.838 -5.288 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.257 -6.913 -1.339 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.590 -5.688 -1.157 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.346 -5.449 -0.435 1.00 0.00 C ATOM 1233 C LYS A 85 -12.215 -3.981 -0.041 1.00 0.00 C ATOM 1234 O LYS A 85 -12.723 -3.095 -0.729 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.148 -5.871 -1.290 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.150 -6.747 -0.549 1.00 0.00 C ATOM 1237 CD LYS A 85 -10.370 -8.219 -0.853 1.00 0.00 C ATOM 1238 CE LYS A 85 -9.199 -9.066 -0.378 1.00 0.00 C ATOM 1239 NZ LYS A 85 -7.903 -8.576 -0.920 1.00 0.00 N ATOM 0 H LYS A 85 -13.467 -5.937 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.363 -6.048 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.509 -6.408 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.637 -4.978 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.136 -6.464 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.242 -6.578 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.286 -8.559 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.507 -8.354 -1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.163 -9.057 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.352 -10.101 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.214 -9.355 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.043 -8.223 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.545 -7.806 -0.320 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.530 -3.731 1.070 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.330 -2.370 1.557 1.00 0.00 C ATOM 1255 C ARG A 86 -9.844 -2.043 1.655 1.00 0.00 C ATOM 1256 O ARG A 86 -9.082 -2.754 2.309 1.00 0.00 O ATOM 1257 CB ARG A 86 -11.994 -2.191 2.923 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.105 -0.739 3.359 1.00 0.00 C ATOM 1259 CD ARG A 86 -13.023 -0.586 4.560 1.00 0.00 C ATOM 1260 NE ARG A 86 -12.393 -1.047 5.794 1.00 0.00 N ATOM 1261 CZ ARG A 86 -11.505 -0.335 6.484 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -11.144 0.873 6.065 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -10.979 -0.829 7.597 1.00 0.00 N ATOM 0 H ARG A 86 -11.104 -4.453 1.651 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.790 -1.684 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.991 -2.630 2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.424 -2.744 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.115 -0.356 3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.483 -0.138 2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.307 0.461 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.940 -1.150 4.389 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.648 -1.969 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.548 1.258 5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.463 1.415 6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.255 -1.755 7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.299 -0.283 8.125 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.437 -0.960 1.000 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.041 -0.538 1.013 1.00 0.00 C ATOM 1279 C TYR A 87 -7.873 0.762 1.794 1.00 0.00 C ATOM 1280 O TYR A 87 -7.093 0.831 2.743 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.529 -0.359 -0.417 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.673 -1.598 -1.272 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -6.725 -2.613 -1.223 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -8.758 -1.754 -2.125 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -6.854 -3.747 -2.002 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -8.894 -2.886 -2.906 1.00 0.00 C ATOM 1287 CZ TYR A 87 -7.940 -3.878 -2.841 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.072 -5.006 -3.619 1.00 0.00 O ATOM 0 H TYR A 87 -10.054 -0.359 0.454 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.456 -1.314 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.070 0.462 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.478 -0.071 -0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.874 -2.514 -0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.507 -0.978 -2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.108 -4.526 -1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.744 -2.993 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.535 -4.777 -4.452 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.610 1.791 1.387 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.542 3.088 2.049 1.00 0.00 C ATOM 1300 C PHE A 88 -9.939 3.655 2.280 1.00 0.00 C ATOM 1301 O PHE A 88 -10.926 3.129 1.764 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.713 4.067 1.215 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.284 4.323 -0.151 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.338 5.205 -0.323 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.764 3.679 -1.263 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.864 5.442 -1.578 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.288 3.912 -2.522 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.339 4.794 -2.679 1.00 0.00 C ATOM 0 H PHE A 88 -9.261 1.751 0.602 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.061 2.949 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.635 5.013 1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.701 3.676 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.754 5.714 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.942 2.989 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.685 6.133 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.875 3.405 -3.381 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.750 4.977 -3.661 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.016 4.730 3.058 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.293 5.367 3.357 1.00 0.00 C ATOM 1320 C GLU A 89 -11.404 6.717 2.657 1.00 0.00 C ATOM 1321 O GLU A 89 -10.632 7.636 2.932 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.456 5.549 4.867 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.787 4.261 5.603 1.00 0.00 C ATOM 1324 CD GLU A 89 -11.593 4.379 7.102 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -10.447 4.625 7.534 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -12.586 4.224 7.843 1.00 0.00 O ATOM 0 H GLU A 89 -9.209 5.178 3.493 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.088 4.719 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.535 5.965 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.245 6.277 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.820 3.983 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.158 3.457 5.221 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.370 6.832 1.751 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.582 8.071 1.012 1.00 0.00 C ATOM 1335 C CYS A 90 -13.829 7.976 0.139 1.00 0.00 C ATOM 1336 O CYS A 90 -14.549 6.978 0.173 1.00 0.00 O ATOM 1337 CB CYS A 90 -11.361 8.388 0.146 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.916 10.140 0.113 1.00 0.00 S ATOM 0 H CYS A 90 -13.018 6.082 1.511 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.726 8.876 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.510 7.815 0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.555 8.054 -0.873 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.538 10.727 -0.866 1.00 0.00 H new ATOM 1344 N GLN A 91 -14.078 9.022 -0.643 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.238 9.057 -1.526 1.00 0.00 C ATOM 1346 C GLN A 91 -14.842 8.710 -2.958 1.00 0.00 C ATOM 1347 O GLN A 91 -13.681 8.412 -3.237 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.896 10.437 -1.483 1.00 0.00 C ATOM 1349 CG GLN A 91 -17.404 10.387 -1.296 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.804 10.076 0.133 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -17.896 10.971 0.973 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.043 8.801 0.417 1.00 0.00 N ATOM 0 H GLN A 91 -13.492 9.856 -0.683 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.953 8.312 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.456 11.015 -0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.670 10.967 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.835 11.344 -1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.824 9.631 -1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -17.955 8.091 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.315 8.531 1.362 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.817 8.750 -3.861 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.570 8.439 -5.263 1.00 0.00 C ATOM 1363 C ALA A 92 -14.879 9.602 -5.970 1.00 0.00 C ATOM 1364 O ALA A 92 -14.998 10.753 -5.553 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.875 8.096 -5.964 1.00 0.00 C ATOM 0 H ALA A 92 -16.784 8.994 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.907 7.575 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.676 7.866 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.330 7.231 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.555 8.945 -5.902 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.154 9.291 -7.040 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.444 10.309 -7.804 1.00 0.00 C ATOM 1373 C LYS A 93 -12.424 11.032 -6.928 1.00 0.00 C ATOM 1374 O LYS A 93 -12.151 12.216 -7.126 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.431 11.316 -8.394 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.488 10.682 -9.284 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.698 11.587 -9.444 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.616 11.509 -8.235 1.00 0.00 C ATOM 1379 NZ LYS A 93 -17.228 12.483 -7.178 1.00 0.00 N ATOM 0 H LYS A 93 -14.043 8.342 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 93 -12.913 9.814 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.924 11.848 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -13.879 12.058 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.060 10.469 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.800 9.728 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.368 12.616 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.250 11.303 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.643 11.701 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.591 10.499 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -18.080 12.952 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -16.746 11.982 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.587 13.196 -7.581 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.866 10.313 -5.961 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.878 10.886 -5.056 1.00 0.00 C ATOM 1395 C TYR A 94 -9.670 9.966 -4.914 1.00 0.00 C ATOM 1396 O TYR A 94 -8.533 10.373 -5.161 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.501 11.143 -3.682 1.00 0.00 C ATOM 1398 CG TYR A 94 -12.107 12.521 -3.539 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.426 13.649 -3.980 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.359 12.693 -2.964 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.977 14.909 -3.850 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.917 13.950 -2.832 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.222 15.055 -3.276 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.774 16.309 -3.146 1.00 0.00 O ATOM 0 H TYR A 94 -12.081 9.332 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.543 11.833 -5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -12.272 10.395 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.737 11.010 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.451 13.539 -4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.906 11.830 -2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.435 15.776 -4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.892 14.066 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.655 16.236 -2.723 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.922 8.723 -4.516 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.845 7.766 -4.349 1.00 0.00 C ATOM 1416 C GLY A 95 -8.657 6.885 -5.569 1.00 0.00 C ATOM 1417 O GLY A 95 -9.539 6.100 -5.918 1.00 0.00 O ATOM 0 H GLY A 95 -10.853 8.362 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.917 8.300 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.051 7.140 -3.481 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.504 7.014 -6.217 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.202 6.224 -7.404 1.00 0.00 C ATOM 1423 C ALA A 96 -6.197 5.121 -7.088 1.00 0.00 C ATOM 1424 O ALA A 96 -5.285 5.311 -6.285 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.673 7.120 -8.513 1.00 0.00 C ATOM 0 H ALA A 96 -6.764 7.658 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.125 5.753 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.452 6.517 -9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.424 7.869 -8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.764 7.618 -8.176 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.372 3.968 -7.724 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.481 2.834 -7.510 1.00 0.00 C ATOM 1433 C PHE A 97 -4.433 2.748 -8.615 1.00 0.00 C ATOM 1434 O PHE A 97 -4.759 2.502 -9.776 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.283 1.533 -7.449 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.005 1.332 -6.147 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.304 1.283 -4.952 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.383 1.191 -6.118 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.965 1.098 -3.753 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.049 1.006 -4.921 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.339 0.958 -3.737 1.00 0.00 C ATOM 0 H PHE A 97 -7.123 3.794 -8.392 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.968 2.982 -6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.009 1.525 -8.262 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.609 0.692 -7.615 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.229 1.391 -4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.943 1.226 -7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.408 1.063 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.124 0.899 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.857 0.811 -2.801 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.173 2.953 -8.245 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.076 2.898 -9.204 1.00 0.00 C ATOM 1453 C VAL A 98 -1.038 1.860 -8.791 1.00 0.00 C ATOM 1454 O VAL A 98 -1.121 1.283 -7.707 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.385 4.267 -9.349 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.254 5.222 -10.151 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.062 4.850 -7.982 1.00 0.00 C ATOM 0 H VAL A 98 -2.887 3.159 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.509 2.615 -10.163 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.449 4.125 -9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.749 6.184 -10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.429 4.808 -11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.208 5.360 -9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.574 5.817 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.983 4.978 -7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.396 4.173 -7.446 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.063 1.625 -9.663 1.00 0.00 N ATOM 1468 CA LYS A 99 0.990 0.655 -9.388 1.00 0.00 C ATOM 1469 C LYS A 99 2.240 1.344 -8.847 1.00 0.00 C ATOM 1470 O LYS A 99 2.529 2.487 -9.199 1.00 0.00 O ATOM 1471 CB LYS A 99 1.334 -0.130 -10.655 1.00 0.00 C ATOM 1472 CG LYS A 99 0.114 -0.618 -11.418 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.624 -1.703 -10.652 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.024 -3.077 -10.909 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.022 -4.019 -11.487 1.00 0.00 N ATOM 0 H LYS A 99 0.020 2.093 -10.566 1.00 0.00 H new ATOM 0 HA LYS A 99 0.622 -0.036 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.934 0.500 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.950 -0.988 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.559 0.219 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.421 -1.003 -12.390 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.589 -1.484 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.675 -1.704 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.822 -2.982 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.362 -3.485 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.845 -4.978 -11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.980 -3.718 -11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.939 -4.020 -12.524 1.00 0.00 H new ATOM 1489 N PRO A 100 3.003 0.652 -7.978 1.00 0.00 N ATOM 1490 CA PRO A 100 4.227 1.203 -7.394 1.00 0.00 C ATOM 1491 C PRO A 100 5.096 1.859 -8.455 1.00 0.00 C ATOM 1492 O PRO A 100 5.484 3.021 -8.330 1.00 0.00 O ATOM 1493 CB PRO A 100 4.920 -0.026 -6.810 1.00 0.00 C ATOM 1494 CG PRO A 100 3.807 -0.958 -6.474 1.00 0.00 C ATOM 1495 CD PRO A 100 2.732 -0.719 -7.503 1.00 0.00 C ATOM 0 HA PRO A 100 4.031 1.979 -6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.608 -0.472 -7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.504 0.230 -5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.146 -1.994 -6.499 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.432 -0.769 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.787 -1.443 -8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.736 -0.803 -7.069 1.00 0.00 H new ATOM 1503 N SER A 101 5.373 1.109 -9.518 1.00 0.00 N ATOM 1504 CA SER A 101 6.168 1.621 -10.623 1.00 0.00 C ATOM 1505 C SER A 101 5.527 2.889 -11.171 1.00 0.00 C ATOM 1506 O SER A 101 6.199 3.734 -11.763 1.00 0.00 O ATOM 1507 CB SER A 101 6.289 0.571 -11.729 1.00 0.00 C ATOM 1508 OG SER A 101 7.471 -0.197 -11.576 1.00 0.00 O ATOM 0 H SER A 101 5.058 0.146 -9.635 1.00 0.00 H new ATOM 0 HA SER A 101 7.169 1.853 -10.259 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.419 -0.086 -11.708 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.294 1.062 -12.702 1.00 0.00 H new ATOM 0 HG SER A 101 7.524 -0.862 -12.294 1.00 0.00 H new ATOM 1514 N ALA A 102 4.219 3.022 -10.950 1.00 0.00 N ATOM 1515 CA ALA A 102 3.486 4.195 -11.402 1.00 0.00 C ATOM 1516 C ALA A 102 3.480 5.273 -10.321 1.00 0.00 C ATOM 1517 O ALA A 102 3.134 6.426 -10.586 1.00 0.00 O ATOM 1518 CB ALA A 102 2.063 3.815 -11.782 1.00 0.00 C ATOM 0 H ALA A 102 3.650 2.331 -10.461 1.00 0.00 H new ATOM 0 HA ALA A 102 3.986 4.596 -12.284 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.527 4.702 -12.118 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.085 3.079 -12.585 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.556 3.391 -10.915 1.00 0.00 H new ATOM 1524 N VAL A 103 3.866 4.895 -9.102 1.00 0.00 N ATOM 1525 CA VAL A 103 3.905 5.835 -7.989 1.00 0.00 C ATOM 1526 C VAL A 103 5.312 6.387 -7.787 1.00 0.00 C ATOM 1527 O VAL A 103 6.237 5.649 -7.450 1.00 0.00 O ATOM 1528 CB VAL A 103 3.431 5.177 -6.678 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.330 6.210 -5.566 1.00 0.00 C ATOM 1530 CG2 VAL A 103 2.096 4.475 -6.884 1.00 0.00 C ATOM 0 H VAL A 103 4.155 3.946 -8.864 1.00 0.00 H new ATOM 0 HA VAL A 103 3.228 6.651 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 103 4.168 4.430 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.994 5.726 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.308 6.663 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.616 6.983 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.778 4.017 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.349 5.201 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.204 3.704 -7.647 1.00 0.00 H new ATOM 1540 N THR A 104 5.467 7.692 -7.996 1.00 0.00 N ATOM 1541 CA THR A 104 6.761 8.343 -7.838 1.00 0.00 C ATOM 1542 C THR A 104 6.862 9.033 -6.481 1.00 0.00 C ATOM 1543 O THR A 104 6.214 10.052 -6.244 1.00 0.00 O ATOM 1544 CB THR A 104 6.984 9.361 -8.958 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.755 8.769 -10.224 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.380 9.943 -8.969 1.00 0.00 C ATOM 0 H THR A 104 4.712 8.318 -8.275 1.00 0.00 H new ATOM 0 HA THR A 104 7.534 7.576 -7.894 1.00 0.00 H new ATOM 0 HB THR A 104 6.275 10.166 -8.763 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.901 9.435 -10.928 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.470 10.657 -9.788 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.570 10.450 -8.023 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.107 9.142 -9.104 1.00 0.00 H new ATOM 1554 N VAL A 105 7.679 8.472 -5.596 1.00 0.00 N ATOM 1555 CA VAL A 105 7.866 9.033 -4.264 1.00 0.00 C ATOM 1556 C VAL A 105 8.914 10.139 -4.277 1.00 0.00 C ATOM 1557 O VAL A 105 9.999 9.975 -4.836 1.00 0.00 O ATOM 1558 CB VAL A 105 8.290 7.952 -3.253 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.278 8.509 -1.837 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.384 6.734 -3.362 1.00 0.00 C ATOM 0 H VAL A 105 8.223 7.628 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 105 6.906 9.448 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 105 9.308 7.642 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.580 7.730 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.972 9.347 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.273 8.850 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.699 5.981 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.355 7.027 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.449 6.321 -4.369 1.00 0.00 H new ATOM 1570 N GLY A 106 8.585 11.268 -3.655 1.00 0.00 N ATOM 1571 CA GLY A 106 9.510 12.385 -3.606 1.00 0.00 C ATOM 1572 C GLY A 106 9.682 12.935 -2.204 1.00 0.00 C ATOM 1573 O GLY A 106 9.831 14.142 -2.017 1.00 0.00 O ATOM 0 H GLY A 106 7.694 11.428 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.479 12.067 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.152 13.178 -4.263 1.00 0.00 H new ATOM 1577 N ASP A 107 9.660 12.046 -1.216 1.00 0.00 N ATOM 1578 CA ASP A 107 9.814 12.448 0.177 1.00 0.00 C ATOM 1579 C ASP A 107 10.455 11.333 0.997 1.00 0.00 C ATOM 1580 O ASP A 107 10.831 10.292 0.459 1.00 0.00 O ATOM 1581 CB ASP A 107 8.456 12.820 0.776 1.00 0.00 C ATOM 1582 CG ASP A 107 7.481 11.660 0.764 1.00 0.00 C ATOM 1583 OD1 ASP A 107 7.487 10.890 -0.220 1.00 0.00 O ATOM 1584 OD2 ASP A 107 6.711 11.522 1.737 1.00 0.00 O ATOM 0 H ASP A 107 9.537 11.043 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 107 10.468 13.320 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.596 13.163 1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.031 13.654 0.217 1.00 0.00 H new ATOM 1589 N SER A 108 10.576 11.558 2.301 1.00 0.00 N ATOM 1590 CA SER A 108 11.172 10.573 3.196 1.00 0.00 C ATOM 1591 C SER A 108 10.201 10.192 4.308 1.00 0.00 C ATOM 1592 O SER A 108 9.203 10.878 4.537 1.00 0.00 O ATOM 1593 CB SER A 108 12.469 11.117 3.797 1.00 0.00 C ATOM 1594 OG SER A 108 13.459 10.106 3.876 1.00 0.00 O ATOM 0 H SER A 108 10.269 12.415 2.762 1.00 0.00 H new ATOM 0 HA SER A 108 11.398 9.679 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.837 11.943 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.273 11.516 4.792 1.00 0.00 H new ATOM 0 HG SER A 108 14.278 10.480 4.262 1.00 0.00 H new ATOM 1600 N GLY A 109 10.500 9.097 4.998 1.00 0.00 N ATOM 1601 CA GLY A 109 9.644 8.645 6.080 1.00 0.00 C ATOM 1602 C GLY A 109 10.230 7.462 6.828 1.00 0.00 C ATOM 1603 O GLY A 109 11.394 7.115 6.629 1.00 0.00 O ATOM 0 H GLY A 109 11.320 8.514 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.480 9.467 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.669 8.370 5.677 1.00 0.00 H new ATOM 1607 N PRO A 110 9.440 6.815 7.702 1.00 0.00 N ATOM 1608 CA PRO A 110 9.901 5.659 8.478 1.00 0.00 C ATOM 1609 C PRO A 110 10.111 4.424 7.608 1.00 0.00 C ATOM 1610 O PRO A 110 9.757 4.415 6.429 1.00 0.00 O ATOM 1611 CB PRO A 110 8.765 5.424 9.476 1.00 0.00 C ATOM 1612 CG PRO A 110 7.556 5.988 8.813 1.00 0.00 C ATOM 1613 CD PRO A 110 8.037 7.159 8.002 1.00 0.00 C ATOM 0 HA PRO A 110 10.867 5.843 8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 110 8.640 4.363 9.691 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.963 5.920 10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 110 7.077 5.244 8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.817 6.301 9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 110 7.451 7.285 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.963 8.092 8.561 1.00 0.00 H new ATOM 1621 N SER A 111 10.688 3.383 8.199 1.00 0.00 N ATOM 1622 CA SER A 111 10.944 2.141 7.478 1.00 0.00 C ATOM 1623 C SER A 111 9.643 1.529 6.968 1.00 0.00 C ATOM 1624 O SER A 111 8.634 1.514 7.673 1.00 0.00 O ATOM 1625 CB SER A 111 11.671 1.143 8.382 1.00 0.00 C ATOM 1626 OG SER A 111 12.982 1.590 8.684 1.00 0.00 O ATOM 0 H SER A 111 10.987 3.374 9.174 1.00 0.00 H new ATOM 0 HA SER A 111 11.576 2.372 6.620 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.108 1.007 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.719 0.171 7.891 1.00 0.00 H new ATOM 0 HG SER A 111 13.425 0.936 9.264 1.00 0.00 H new ATOM 1632 N SER A 112 9.675 1.024 5.738 1.00 0.00 N ATOM 1633 CA SER A 112 8.500 0.410 5.133 1.00 0.00 C ATOM 1634 C SER A 112 8.134 -0.887 5.848 1.00 0.00 C ATOM 1635 O SER A 112 9.006 -1.688 6.185 1.00 0.00 O ATOM 1636 CB SER A 112 8.748 0.137 3.649 1.00 0.00 C ATOM 1637 OG SER A 112 7.527 0.006 2.942 1.00 0.00 O ATOM 0 H SER A 112 10.503 1.029 5.142 1.00 0.00 H new ATOM 0 HA SER A 112 7.666 1.105 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 112 9.335 0.949 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 112 9.336 -0.774 3.537 1.00 0.00 H new ATOM 0 HG SER A 112 7.714 -0.166 1.996 1.00 0.00 H new ATOM 1643 N GLY A 113 6.840 -1.087 6.076 1.00 0.00 N ATOM 1644 CA GLY A 113 6.383 -2.288 6.748 1.00 0.00 C ATOM 1645 C GLY A 113 5.011 -2.730 6.278 1.00 0.00 C ATOM 1646 O GLY A 113 4.165 -3.055 7.137 1.00 0.00 O ATOM 1647 OXT GLY A 113 4.782 -2.749 5.050 1.00 0.00 O ATOM 0 H GLY A 113 6.100 -0.438 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.099 -3.092 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.356 -2.111 7.823 1.00 0.00 H new TER 1651 GLY A 113