USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= -0.0085 (180deg=-0.151) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 20:sc= 0.0869 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -88:sc= 0.54 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= -0.604 (180deg=-1.72!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-4.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 1.13 K(o=1.1,f=-0.007) USER MOD Single : A 53 ASN : amide:sc= -3.32! C(o=-3.3!,f=-20!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 1.91 K(o=1.9,f=0) USER MOD Single : A 65 ASN : amide:sc= -9.14! C(o=-9.1!,f=-9.6!) USER MOD Single : A 67 HIS : no HD1:sc= -8.47! C(o=-8.5!,f=-8.2!) USER MOD Single : A 71 THR OG1 : rot -86:sc= 0.75 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0411 X(o=-0.041,f=-0.21) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000561) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.25) USER MOD Single : A 97 ASN : amide:sc= -0.0225 X(o=-0.022,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -120:sc= 0.315! USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc=-0.00635 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.935 -19.728 17.978 1.00 0.00 N ATOM 2 CA GLY A 1 -10.789 -21.171 18.030 1.00 0.00 C ATOM 3 C GLY A 1 -11.733 -21.883 17.082 1.00 0.00 C ATOM 4 O GLY A 1 -11.739 -21.612 15.881 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.268 -19.287 18.644 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.734 -19.393 17.014 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.908 -19.468 18.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.761 -21.438 17.784 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.973 -21.515 19.048 1.00 0.00 H new ATOM 8 N SER A 2 -12.532 -22.799 17.621 1.00 0.00 N ATOM 9 CA SER A 2 -13.480 -23.557 16.813 1.00 0.00 C ATOM 10 C SER A 2 -12.783 -24.202 15.619 1.00 0.00 C ATOM 11 O SER A 2 -13.306 -24.200 14.505 1.00 0.00 O ATOM 12 CB SER A 2 -14.610 -22.647 16.327 1.00 0.00 C ATOM 13 OG SER A 2 -15.224 -21.973 17.412 1.00 0.00 O ATOM 0 H SER A 2 -12.541 -23.034 18.614 1.00 0.00 H new ATOM 0 HA SER A 2 -13.900 -24.346 17.436 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.215 -21.919 15.619 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.354 -23.239 15.794 1.00 0.00 H new ATOM 0 HG SER A 2 -15.941 -21.397 17.075 1.00 0.00 H new ATOM 19 N SER A 3 -11.598 -24.754 15.861 1.00 0.00 N ATOM 20 CA SER A 3 -10.826 -25.400 14.807 1.00 0.00 C ATOM 21 C SER A 3 -9.957 -26.518 15.376 1.00 0.00 C ATOM 22 O SER A 3 -9.328 -26.360 16.421 1.00 0.00 O ATOM 23 CB SER A 3 -9.948 -24.374 14.086 1.00 0.00 C ATOM 24 OG SER A 3 -8.928 -23.887 14.940 1.00 0.00 O ATOM 0 H SER A 3 -11.152 -24.766 16.778 1.00 0.00 H new ATOM 0 HA SER A 3 -11.526 -25.835 14.094 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.500 -24.830 13.203 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.563 -23.544 13.739 1.00 0.00 H new ATOM 0 HG SER A 3 -8.380 -23.235 14.456 1.00 0.00 H new ATOM 30 N GLY A 4 -9.929 -27.650 14.679 1.00 0.00 N ATOM 31 CA GLY A 4 -9.136 -28.779 15.130 1.00 0.00 C ATOM 32 C GLY A 4 -9.014 -29.860 14.074 1.00 0.00 C ATOM 33 O GLY A 4 -7.927 -30.386 13.838 1.00 0.00 O ATOM 0 H GLY A 4 -10.441 -27.805 13.811 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.141 -28.432 15.407 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.588 -29.201 16.027 1.00 0.00 H new ATOM 37 N SER A 5 -10.133 -30.194 13.440 1.00 0.00 N ATOM 38 CA SER A 5 -10.149 -31.224 12.408 1.00 0.00 C ATOM 39 C SER A 5 -10.297 -30.602 11.022 1.00 0.00 C ATOM 40 O SER A 5 -9.518 -30.892 10.114 1.00 0.00 O ATOM 41 CB SER A 5 -11.289 -32.212 12.660 1.00 0.00 C ATOM 42 OG SER A 5 -11.056 -32.970 13.834 1.00 0.00 O ATOM 0 H SER A 5 -11.041 -29.766 13.623 1.00 0.00 H new ATOM 0 HA SER A 5 -9.200 -31.758 12.449 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.230 -31.670 12.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.390 -32.881 11.805 1.00 0.00 H new ATOM 0 HG SER A 5 -11.799 -33.593 13.974 1.00 0.00 H new ATOM 48 N SER A 6 -11.301 -29.746 10.869 1.00 0.00 N ATOM 49 CA SER A 6 -11.555 -29.086 9.593 1.00 0.00 C ATOM 50 C SER A 6 -10.275 -28.467 9.038 1.00 0.00 C ATOM 51 O SER A 6 -9.822 -28.822 7.951 1.00 0.00 O ATOM 52 CB SER A 6 -12.626 -28.006 9.758 1.00 0.00 C ATOM 53 OG SER A 6 -12.789 -27.262 8.563 1.00 0.00 O ATOM 0 H SER A 6 -11.952 -29.493 11.612 1.00 0.00 H new ATOM 0 HA SER A 6 -11.911 -29.837 8.888 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.574 -28.468 10.034 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.349 -27.336 10.572 1.00 0.00 H new ATOM 0 HG SER A 6 -13.480 -26.580 8.694 1.00 0.00 H new ATOM 59 N GLY A 7 -9.697 -27.539 9.795 1.00 0.00 N ATOM 60 CA GLY A 7 -8.476 -26.885 9.363 1.00 0.00 C ATOM 61 C GLY A 7 -8.535 -26.445 7.913 1.00 0.00 C ATOM 62 O GLY A 7 -7.837 -26.996 7.062 1.00 0.00 O ATOM 0 H GLY A 7 -10.053 -27.229 10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.289 -26.017 9.995 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.635 -27.565 9.499 1.00 0.00 H new ATOM 66 N ARG A 8 -9.371 -25.452 7.632 1.00 0.00 N ATOM 67 CA ARG A 8 -9.521 -24.941 6.275 1.00 0.00 C ATOM 68 C ARG A 8 -8.162 -24.612 5.664 1.00 0.00 C ATOM 69 O ARG A 8 -7.334 -23.950 6.290 1.00 0.00 O ATOM 70 CB ARG A 8 -10.409 -23.695 6.271 1.00 0.00 C ATOM 71 CG ARG A 8 -10.721 -23.173 4.878 1.00 0.00 C ATOM 72 CD ARG A 8 -11.975 -23.819 4.310 1.00 0.00 C ATOM 73 NE ARG A 8 -11.724 -25.175 3.830 1.00 0.00 N ATOM 74 CZ ARG A 8 -11.055 -25.448 2.716 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.572 -24.463 1.971 1.00 0.00 N ATOM 76 NH2 ARG A 8 -10.866 -26.708 2.345 1.00 0.00 N ATOM 0 H ARG A 8 -9.955 -24.985 8.326 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.993 -25.717 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.344 -23.924 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.918 -22.908 6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.852 -22.091 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.877 -23.370 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.749 -23.844 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.357 -23.210 3.491 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.082 -25.955 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.714 -23.493 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.058 -24.675 1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.235 -27.469 2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.352 -26.916 1.489 1.00 0.00 H new ATOM 90 N GLN A 9 -7.940 -25.079 4.440 1.00 0.00 N ATOM 91 CA GLN A 9 -6.681 -24.836 3.747 1.00 0.00 C ATOM 92 C GLN A 9 -6.766 -23.578 2.889 1.00 0.00 C ATOM 93 O GLN A 9 -7.857 -23.121 2.547 1.00 0.00 O ATOM 94 CB GLN A 9 -6.313 -26.038 2.875 1.00 0.00 C ATOM 95 CG GLN A 9 -7.368 -26.381 1.836 1.00 0.00 C ATOM 96 CD GLN A 9 -6.932 -27.498 0.909 1.00 0.00 C ATOM 97 OE1 GLN A 9 -5.950 -27.367 0.178 1.00 0.00 O ATOM 98 NE2 GLN A 9 -7.662 -28.607 0.934 1.00 0.00 N ATOM 0 H GLN A 9 -8.616 -25.628 3.908 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.905 -24.690 4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.369 -25.834 2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -6.150 -26.905 3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.289 -26.672 2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.595 -25.492 1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.468 -28.673 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.417 -29.393 0.332 1.00 0.00 H new ATOM 107 N ARG A 10 -5.609 -23.022 2.545 1.00 0.00 N ATOM 108 CA ARG A 10 -5.554 -21.816 1.728 1.00 0.00 C ATOM 109 C ARG A 10 -5.600 -22.162 0.242 1.00 0.00 C ATOM 110 O ARG A 10 -5.058 -23.182 -0.184 1.00 0.00 O ATOM 111 CB ARG A 10 -4.283 -21.022 2.038 1.00 0.00 C ATOM 112 CG ARG A 10 -3.005 -21.732 1.623 1.00 0.00 C ATOM 113 CD ARG A 10 -1.889 -20.743 1.326 1.00 0.00 C ATOM 114 NE ARG A 10 -0.722 -21.394 0.738 1.00 0.00 N ATOM 115 CZ ARG A 10 0.341 -20.734 0.291 1.00 0.00 C ATOM 116 NH1 ARG A 10 0.383 -19.411 0.366 1.00 0.00 N ATOM 117 NH2 ARG A 10 1.364 -21.398 -0.231 1.00 0.00 N ATOM 0 H ARG A 10 -4.697 -23.388 2.819 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.424 -21.205 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.334 -20.058 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.244 -20.818 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.690 -22.410 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.197 -22.342 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.257 -19.975 0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.597 -20.239 2.247 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.723 -22.411 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.402 -18.898 0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.200 -18.906 0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.335 -22.416 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.180 -20.891 -0.574 1.00 0.00 H new ATOM 131 N SER A 11 -6.250 -21.307 -0.540 1.00 0.00 N ATOM 132 CA SER A 11 -6.371 -21.524 -1.977 1.00 0.00 C ATOM 133 C SER A 11 -5.517 -20.525 -2.751 1.00 0.00 C ATOM 134 O SER A 11 -5.353 -19.377 -2.336 1.00 0.00 O ATOM 135 CB SER A 11 -7.833 -21.407 -2.410 1.00 0.00 C ATOM 136 OG SER A 11 -8.510 -22.642 -2.261 1.00 0.00 O ATOM 0 H SER A 11 -6.701 -20.457 -0.203 1.00 0.00 H new ATOM 0 HA SER A 11 -6.013 -22.529 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.331 -20.642 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.883 -21.085 -3.450 1.00 0.00 H new ATOM 0 HG SER A 11 -9.443 -22.540 -2.543 1.00 0.00 H new ATOM 142 N LEU A 12 -4.974 -20.970 -3.879 1.00 0.00 N ATOM 143 CA LEU A 12 -4.136 -20.116 -4.713 1.00 0.00 C ATOM 144 C LEU A 12 -4.985 -19.300 -5.683 1.00 0.00 C ATOM 145 O LEU A 12 -4.665 -19.196 -6.867 1.00 0.00 O ATOM 146 CB LEU A 12 -3.125 -20.962 -5.490 1.00 0.00 C ATOM 147 CG LEU A 12 -1.791 -21.224 -4.790 1.00 0.00 C ATOM 148 CD1 LEU A 12 -1.069 -19.916 -4.508 1.00 0.00 C ATOM 149 CD2 LEU A 12 -2.010 -22.003 -3.501 1.00 0.00 C ATOM 0 H LEU A 12 -5.099 -21.917 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.599 -19.427 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.586 -21.922 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.923 -20.469 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.167 -21.823 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.122 -20.123 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.879 -19.396 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.688 -19.290 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.050 -22.181 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.653 -21.429 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.484 -22.958 -3.729 1.00 0.00 H new ATOM 161 N SER A 13 -6.066 -18.721 -5.172 1.00 0.00 N ATOM 162 CA SER A 13 -6.963 -17.915 -5.993 1.00 0.00 C ATOM 163 C SER A 13 -6.323 -16.574 -6.339 1.00 0.00 C ATOM 164 O SER A 13 -6.254 -16.189 -7.507 1.00 0.00 O ATOM 165 CB SER A 13 -8.289 -17.688 -5.265 1.00 0.00 C ATOM 166 OG SER A 13 -9.105 -18.845 -5.317 1.00 0.00 O ATOM 0 H SER A 13 -6.343 -18.795 -4.193 1.00 0.00 H new ATOM 0 HA SER A 13 -7.154 -18.457 -6.919 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.096 -17.422 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.816 -16.847 -5.716 1.00 0.00 H new ATOM 0 HG SER A 13 -9.946 -18.674 -4.843 1.00 0.00 H new ATOM 172 N THR A 14 -5.855 -15.866 -5.316 1.00 0.00 N ATOM 173 CA THR A 14 -5.222 -14.568 -5.511 1.00 0.00 C ATOM 174 C THR A 14 -4.321 -14.574 -6.740 1.00 0.00 C ATOM 175 O THR A 14 -3.645 -15.564 -7.021 1.00 0.00 O ATOM 176 CB THR A 14 -4.390 -14.159 -4.281 1.00 0.00 C ATOM 177 OG1 THR A 14 -3.448 -15.189 -3.962 1.00 0.00 O ATOM 178 CG2 THR A 14 -5.289 -13.899 -3.081 1.00 0.00 C ATOM 0 H THR A 14 -5.903 -16.170 -4.344 1.00 0.00 H new ATOM 0 HA THR A 14 -6.024 -13.844 -5.656 1.00 0.00 H new ATOM 0 HB THR A 14 -3.856 -13.240 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.922 -14.920 -3.180 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.679 -13.612 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.986 -13.095 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.847 -14.804 -2.842 1.00 0.00 H new ATOM 186 N SER A 15 -4.316 -13.464 -7.470 1.00 0.00 N ATOM 187 CA SER A 15 -3.500 -13.343 -8.672 1.00 0.00 C ATOM 188 C SER A 15 -2.015 -13.441 -8.333 1.00 0.00 C ATOM 189 O SER A 15 -1.294 -14.268 -8.889 1.00 0.00 O ATOM 190 CB SER A 15 -3.786 -12.016 -9.378 1.00 0.00 C ATOM 191 OG SER A 15 -5.114 -11.977 -9.870 1.00 0.00 O ATOM 0 H SER A 15 -4.868 -12.635 -7.250 1.00 0.00 H new ATOM 0 HA SER A 15 -3.758 -14.165 -9.340 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.627 -11.190 -8.685 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.085 -11.880 -10.202 1.00 0.00 H new ATOM 0 HG SER A 15 -5.273 -11.119 -10.315 1.00 0.00 H new ATOM 197 N GLY A 16 -1.567 -12.590 -7.415 1.00 0.00 N ATOM 198 CA GLY A 16 -0.171 -12.597 -7.017 1.00 0.00 C ATOM 199 C GLY A 16 0.274 -11.267 -6.442 1.00 0.00 C ATOM 200 O GLY A 16 0.850 -11.215 -5.356 1.00 0.00 O ATOM 0 H GLY A 16 -2.145 -11.897 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.011 -13.381 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.448 -12.842 -7.880 1.00 0.00 H new ATOM 204 N GLU A 17 0.007 -10.189 -7.173 1.00 0.00 N ATOM 205 CA GLU A 17 0.387 -8.853 -6.728 1.00 0.00 C ATOM 206 C GLU A 17 -0.244 -8.529 -5.377 1.00 0.00 C ATOM 207 O GLU A 17 -1.308 -9.046 -5.037 1.00 0.00 O ATOM 208 CB GLU A 17 -0.034 -7.808 -7.764 1.00 0.00 C ATOM 209 CG GLU A 17 0.515 -6.419 -7.485 1.00 0.00 C ATOM 210 CD GLU A 17 -0.196 -5.340 -8.280 1.00 0.00 C ATOM 211 OE1 GLU A 17 -1.395 -5.517 -8.580 1.00 0.00 O ATOM 212 OE2 GLU A 17 0.448 -4.320 -8.601 1.00 0.00 O ATOM 0 H GLU A 17 -0.470 -10.214 -8.074 1.00 0.00 H new ATOM 0 HA GLU A 17 1.471 -8.829 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.301 -8.131 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.122 -7.759 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.421 -6.202 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.579 -6.398 -7.722 1.00 0.00 H new ATOM 219 N SER A 18 0.421 -7.670 -4.611 1.00 0.00 N ATOM 220 CA SER A 18 -0.071 -7.279 -3.295 1.00 0.00 C ATOM 221 C SER A 18 0.401 -5.875 -2.933 1.00 0.00 C ATOM 222 O SER A 18 1.050 -5.200 -3.733 1.00 0.00 O ATOM 223 CB SER A 18 0.399 -8.277 -2.235 1.00 0.00 C ATOM 224 OG SER A 18 -0.420 -8.218 -1.080 1.00 0.00 O ATOM 0 H SER A 18 1.302 -7.231 -4.879 1.00 0.00 H new ATOM 0 HA SER A 18 -1.161 -7.279 -3.327 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.380 -9.286 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.433 -8.063 -1.963 1.00 0.00 H new ATOM 0 HG SER A 18 -0.100 -8.866 -0.418 1.00 0.00 H new ATOM 230 N LEU A 19 0.070 -5.440 -1.722 1.00 0.00 N ATOM 231 CA LEU A 19 0.459 -4.115 -1.252 1.00 0.00 C ATOM 232 C LEU A 19 1.932 -3.845 -1.542 1.00 0.00 C ATOM 233 O LEU A 19 2.308 -2.734 -1.916 1.00 0.00 O ATOM 234 CB LEU A 19 0.191 -3.986 0.248 1.00 0.00 C ATOM 235 CG LEU A 19 -1.274 -3.827 0.657 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.430 -4.000 2.160 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.806 -2.471 0.217 1.00 0.00 C ATOM 0 H LEU A 19 -0.467 -5.986 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.139 -3.377 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.593 -4.869 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.748 -3.127 0.624 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.857 -4.603 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.479 -3.884 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.088 -4.994 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.835 -3.247 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.850 -2.375 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.220 -1.681 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.730 -2.385 -0.867 1.00 0.00 H new ATOM 249 N TYR A 20 2.761 -4.869 -1.370 1.00 0.00 N ATOM 250 CA TYR A 20 4.193 -4.743 -1.613 1.00 0.00 C ATOM 251 C TYR A 20 4.463 -3.859 -2.827 1.00 0.00 C ATOM 252 O TYR A 20 5.320 -2.975 -2.788 1.00 0.00 O ATOM 253 CB TYR A 20 4.819 -6.122 -1.822 1.00 0.00 C ATOM 254 CG TYR A 20 4.282 -7.180 -0.885 1.00 0.00 C ATOM 255 CD1 TYR A 20 4.358 -7.018 0.493 1.00 0.00 C ATOM 256 CD2 TYR A 20 3.699 -8.341 -1.377 1.00 0.00 C ATOM 257 CE1 TYR A 20 3.870 -7.982 1.353 1.00 0.00 C ATOM 258 CE2 TYR A 20 3.206 -9.310 -0.524 1.00 0.00 C ATOM 259 CZ TYR A 20 3.294 -9.126 0.840 1.00 0.00 C ATOM 260 OH TYR A 20 2.805 -10.088 1.694 1.00 0.00 O ATOM 0 H TYR A 20 2.465 -5.796 -1.063 1.00 0.00 H new ATOM 0 HA TYR A 20 4.645 -4.276 -0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.646 -6.438 -2.851 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.898 -6.045 -1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.806 -6.123 0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.630 -8.489 -2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.939 -7.841 2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.754 -10.206 -0.923 1.00 0.00 H new ATOM 0 HH TYR A 20 2.431 -10.829 1.173 1.00 0.00 H new ATOM 270 N HIS A 21 3.726 -4.105 -3.905 1.00 0.00 N ATOM 271 CA HIS A 21 3.885 -3.331 -5.132 1.00 0.00 C ATOM 272 C HIS A 21 3.627 -1.849 -4.877 1.00 0.00 C ATOM 273 O HIS A 21 4.389 -0.991 -5.322 1.00 0.00 O ATOM 274 CB HIS A 21 2.933 -3.847 -6.212 1.00 0.00 C ATOM 275 CG HIS A 21 3.441 -3.642 -7.606 1.00 0.00 C ATOM 276 ND1 HIS A 21 2.867 -2.758 -8.494 1.00 0.00 N ATOM 277 CD2 HIS A 21 4.478 -4.213 -8.262 1.00 0.00 C ATOM 278 CE1 HIS A 21 3.527 -2.794 -9.637 1.00 0.00 C ATOM 279 NE2 HIS A 21 4.511 -3.669 -9.523 1.00 0.00 N ATOM 0 H HIS A 21 3.013 -4.833 -3.955 1.00 0.00 H new ATOM 0 HA HIS A 21 4.912 -3.449 -5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.757 -4.911 -6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.971 -3.345 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.154 -4.958 -7.868 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.301 -2.208 -10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.185 -3.902 -10.252 1.00 0.00 H new ATOM 287 N VAL A 22 2.548 -1.556 -4.158 1.00 0.00 N ATOM 288 CA VAL A 22 2.191 -0.178 -3.843 1.00 0.00 C ATOM 289 C VAL A 22 3.417 0.627 -3.427 1.00 0.00 C ATOM 290 O VAL A 22 3.490 1.834 -3.662 1.00 0.00 O ATOM 291 CB VAL A 22 1.142 -0.114 -2.717 1.00 0.00 C ATOM 292 CG1 VAL A 22 0.833 1.332 -2.356 1.00 0.00 C ATOM 293 CG2 VAL A 22 -0.124 -0.852 -3.126 1.00 0.00 C ATOM 0 H VAL A 22 1.906 -2.254 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 22 1.768 0.254 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 22 1.552 -0.604 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.090 1.357 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.744 1.825 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.443 1.850 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.854 -0.797 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.539 -0.393 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.113 -1.896 -3.330 1.00 0.00 H new ATOM 303 N LEU A 23 4.379 -0.049 -2.809 1.00 0.00 N ATOM 304 CA LEU A 23 5.604 0.603 -2.360 1.00 0.00 C ATOM 305 C LEU A 23 6.750 0.339 -3.332 1.00 0.00 C ATOM 306 O LEU A 23 7.343 1.269 -3.877 1.00 0.00 O ATOM 307 CB LEU A 23 5.984 0.112 -0.962 1.00 0.00 C ATOM 308 CG LEU A 23 4.880 0.176 0.095 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.305 -0.559 1.356 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.528 1.622 0.411 1.00 0.00 C ATOM 0 H LEU A 23 4.335 -1.048 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 23 5.422 1.677 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.324 -0.921 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.831 0.700 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 23 3.992 -0.314 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.507 -0.503 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.506 -1.604 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.207 -0.099 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.741 1.649 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.411 2.137 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.180 2.118 -0.495 1.00 0.00 H new ATOM 322 N GLY A 24 7.054 -0.938 -3.547 1.00 0.00 N ATOM 323 CA GLY A 24 8.125 -1.302 -4.456 1.00 0.00 C ATOM 324 C GLY A 24 8.911 -2.505 -3.973 1.00 0.00 C ATOM 325 O GLY A 24 10.116 -2.605 -4.210 1.00 0.00 O ATOM 0 H GLY A 24 6.578 -1.726 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.706 -1.516 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.800 -0.455 -4.575 1.00 0.00 H new ATOM 329 N LEU A 25 8.231 -3.420 -3.292 1.00 0.00 N ATOM 330 CA LEU A 25 8.873 -4.622 -2.772 1.00 0.00 C ATOM 331 C LEU A 25 8.269 -5.876 -3.396 1.00 0.00 C ATOM 332 O LEU A 25 7.385 -5.792 -4.249 1.00 0.00 O ATOM 333 CB LEU A 25 8.737 -4.679 -1.250 1.00 0.00 C ATOM 334 CG LEU A 25 9.591 -3.686 -0.461 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.226 -3.722 1.015 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.070 -3.984 -0.654 1.00 0.00 C ATOM 0 H LEU A 25 7.234 -3.353 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 25 9.930 -4.582 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.691 -4.512 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.990 -5.687 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 25 9.390 -2.683 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.844 -3.009 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.175 -3.459 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.397 -4.724 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.663 -3.268 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.287 -4.993 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.322 -3.905 -1.712 1.00 0.00 H new ATOM 348 N ASP A 26 8.750 -7.036 -2.964 1.00 0.00 N ATOM 349 CA ASP A 26 8.255 -8.308 -3.478 1.00 0.00 C ATOM 350 C ASP A 26 7.676 -9.160 -2.352 1.00 0.00 C ATOM 351 O ASP A 26 7.650 -8.744 -1.194 1.00 0.00 O ATOM 352 CB ASP A 26 9.377 -9.068 -4.185 1.00 0.00 C ATOM 353 CG ASP A 26 9.946 -8.299 -5.361 1.00 0.00 C ATOM 354 OD1 ASP A 26 9.227 -7.439 -5.912 1.00 0.00 O ATOM 355 OD2 ASP A 26 11.111 -8.556 -5.730 1.00 0.00 O ATOM 0 H ASP A 26 9.482 -7.122 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 26 7.462 -8.098 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.174 -9.278 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.998 -10.029 -4.532 1.00 0.00 H new ATOM 360 N LYS A 27 7.213 -10.356 -2.701 1.00 0.00 N ATOM 361 CA LYS A 27 6.635 -11.268 -1.721 1.00 0.00 C ATOM 362 C LYS A 27 7.692 -11.742 -0.729 1.00 0.00 C ATOM 363 O LYS A 27 7.372 -12.141 0.390 1.00 0.00 O ATOM 364 CB LYS A 27 6.005 -12.472 -2.425 1.00 0.00 C ATOM 365 CG LYS A 27 4.631 -12.186 -3.006 1.00 0.00 C ATOM 366 CD LYS A 27 3.821 -13.461 -3.176 1.00 0.00 C ATOM 367 CE LYS A 27 2.327 -13.185 -3.114 1.00 0.00 C ATOM 368 NZ LYS A 27 1.875 -12.885 -1.727 1.00 0.00 N ATOM 0 H LYS A 27 7.227 -10.716 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 27 5.862 -10.730 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.667 -12.802 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.926 -13.296 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.095 -11.498 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.739 -11.691 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.067 -13.925 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.093 -14.173 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.086 -12.344 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.782 -14.049 -3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.934 -13.299 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.549 -13.291 -1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.826 -11.855 -1.593 1.00 0.00 H new ATOM 382 N ASN A 28 8.953 -11.694 -1.147 1.00 0.00 N ATOM 383 CA ASN A 28 10.057 -12.118 -0.294 1.00 0.00 C ATOM 384 C ASN A 28 10.615 -10.940 0.500 1.00 0.00 C ATOM 385 O ASN A 28 11.773 -10.951 0.916 1.00 0.00 O ATOM 386 CB ASN A 28 11.167 -12.750 -1.137 1.00 0.00 C ATOM 387 CG ASN A 28 10.719 -14.031 -1.814 1.00 0.00 C ATOM 388 OD1 ASN A 28 10.889 -15.124 -1.274 1.00 0.00 O ATOM 389 ND2 ASN A 28 10.144 -13.902 -3.004 1.00 0.00 N ATOM 0 H ASN A 28 9.235 -11.366 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 28 9.676 -12.859 0.408 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.495 -12.038 -1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.028 -12.959 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.823 -14.729 -3.508 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.023 -12.976 -3.414 1.00 0.00 H new ATOM 396 N ALA A 29 9.782 -9.925 0.706 1.00 0.00 N ATOM 397 CA ALA A 29 10.190 -8.741 1.451 1.00 0.00 C ATOM 398 C ALA A 29 9.888 -8.897 2.938 1.00 0.00 C ATOM 399 O ALA A 29 8.782 -9.282 3.321 1.00 0.00 O ATOM 400 CB ALA A 29 9.499 -7.504 0.897 1.00 0.00 C ATOM 0 H ALA A 29 8.820 -9.899 0.367 1.00 0.00 H new ATOM 0 HA ALA A 29 11.268 -8.623 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.813 -6.627 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.769 -7.375 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.419 -7.622 0.981 1.00 0.00 H new ATOM 406 N THR A 30 10.877 -8.596 3.773 1.00 0.00 N ATOM 407 CA THR A 30 10.717 -8.704 5.218 1.00 0.00 C ATOM 408 C THR A 30 10.198 -7.401 5.813 1.00 0.00 C ATOM 409 O THR A 30 10.467 -6.318 5.292 1.00 0.00 O ATOM 410 CB THR A 30 12.045 -9.075 5.904 1.00 0.00 C ATOM 411 OG1 THR A 30 13.071 -8.155 5.515 1.00 0.00 O ATOM 412 CG2 THR A 30 12.464 -10.492 5.541 1.00 0.00 C ATOM 0 H THR A 30 11.798 -8.275 3.474 1.00 0.00 H new ATOM 0 HA THR A 30 9.990 -9.496 5.397 1.00 0.00 H new ATOM 0 HB THR A 30 11.899 -9.021 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.661 -7.333 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.405 -10.732 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.694 -11.193 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.594 -10.568 4.461 1.00 0.00 H new ATOM 420 N SER A 31 9.452 -7.511 6.908 1.00 0.00 N ATOM 421 CA SER A 31 8.892 -6.340 7.572 1.00 0.00 C ATOM 422 C SER A 31 9.867 -5.167 7.519 1.00 0.00 C ATOM 423 O SER A 31 9.483 -4.040 7.206 1.00 0.00 O ATOM 424 CB SER A 31 8.551 -6.667 9.027 1.00 0.00 C ATOM 425 OG SER A 31 9.651 -7.268 9.687 1.00 0.00 O ATOM 0 H SER A 31 9.222 -8.399 7.354 1.00 0.00 H new ATOM 0 HA SER A 31 7.980 -6.057 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.264 -5.755 9.550 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.692 -7.338 9.060 1.00 0.00 H new ATOM 0 HG SER A 31 9.407 -7.465 10.615 1.00 0.00 H new ATOM 431 N ASP A 32 11.130 -5.441 7.827 1.00 0.00 N ATOM 432 CA ASP A 32 12.161 -4.410 7.813 1.00 0.00 C ATOM 433 C ASP A 32 12.194 -3.692 6.467 1.00 0.00 C ATOM 434 O ASP A 32 12.291 -2.466 6.409 1.00 0.00 O ATOM 435 CB ASP A 32 13.530 -5.024 8.112 1.00 0.00 C ATOM 436 CG ASP A 32 13.826 -5.082 9.597 1.00 0.00 C ATOM 437 OD1 ASP A 32 12.909 -5.424 10.373 1.00 0.00 O ATOM 438 OD2 ASP A 32 14.976 -4.788 9.984 1.00 0.00 O ATOM 0 H ASP A 32 11.464 -6.368 8.089 1.00 0.00 H new ATOM 0 HA ASP A 32 11.922 -3.681 8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.572 -6.031 7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.304 -4.441 7.613 1.00 0.00 H new ATOM 443 N ASP A 33 12.115 -4.464 5.389 1.00 0.00 N ATOM 444 CA ASP A 33 12.136 -3.902 4.043 1.00 0.00 C ATOM 445 C ASP A 33 10.965 -2.947 3.835 1.00 0.00 C ATOM 446 O ASP A 33 11.104 -1.913 3.182 1.00 0.00 O ATOM 447 CB ASP A 33 12.091 -5.020 3.000 1.00 0.00 C ATOM 448 CG ASP A 33 13.309 -5.920 3.062 1.00 0.00 C ATOM 449 OD1 ASP A 33 13.948 -5.981 4.134 1.00 0.00 O ATOM 450 OD2 ASP A 33 13.624 -6.563 2.039 1.00 0.00 O ATOM 0 H ASP A 33 12.036 -5.480 5.421 1.00 0.00 H new ATOM 0 HA ASP A 33 13.063 -3.342 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.193 -5.618 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.017 -4.582 2.005 1.00 0.00 H new ATOM 455 N ILE A 34 9.812 -3.302 4.393 1.00 0.00 N ATOM 456 CA ILE A 34 8.618 -2.476 4.268 1.00 0.00 C ATOM 457 C ILE A 34 8.762 -1.178 5.055 1.00 0.00 C ATOM 458 O ILE A 34 8.444 -0.098 4.557 1.00 0.00 O ATOM 459 CB ILE A 34 7.363 -3.224 4.757 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.205 -4.546 4.004 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.127 -2.355 4.579 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.163 -5.463 4.605 1.00 0.00 C ATOM 0 H ILE A 34 9.680 -4.156 4.936 1.00 0.00 H new ATOM 0 HA ILE A 34 8.504 -2.244 3.209 1.00 0.00 H new ATOM 0 HB ILE A 34 7.479 -3.444 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.938 -4.335 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.165 -5.062 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.248 -2.897 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.241 -1.437 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.005 -2.108 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.105 -6.381 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.439 -5.704 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.193 -4.966 4.597 1.00 0.00 H new ATOM 474 N LYS A 35 9.245 -1.291 6.288 1.00 0.00 N ATOM 475 CA LYS A 35 9.435 -0.127 7.145 1.00 0.00 C ATOM 476 C LYS A 35 10.474 0.821 6.553 1.00 0.00 C ATOM 477 O LYS A 35 10.196 1.998 6.323 1.00 0.00 O ATOM 478 CB LYS A 35 9.868 -0.565 8.546 1.00 0.00 C ATOM 479 CG LYS A 35 8.994 -1.656 9.139 1.00 0.00 C ATOM 480 CD LYS A 35 9.741 -2.457 10.193 1.00 0.00 C ATOM 481 CE LYS A 35 9.618 -1.819 11.568 1.00 0.00 C ATOM 482 NZ LYS A 35 10.286 -2.635 12.620 1.00 0.00 N ATOM 0 H LYS A 35 9.512 -2.178 6.716 1.00 0.00 H new ATOM 0 HA LYS A 35 8.484 0.402 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.898 -0.919 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.854 0.300 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.104 -1.210 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.655 -2.323 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.348 -3.473 10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.793 -2.531 9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.059 -0.822 11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.564 -1.696 11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.180 -2.166 13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.849 -3.578 12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.297 -2.731 12.395 1.00 0.00 H new ATOM 496 N LYS A 36 11.671 0.300 6.308 1.00 0.00 N ATOM 497 CA LYS A 36 12.751 1.098 5.740 1.00 0.00 C ATOM 498 C LYS A 36 12.294 1.807 4.470 1.00 0.00 C ATOM 499 O LYS A 36 12.350 3.033 4.377 1.00 0.00 O ATOM 500 CB LYS A 36 13.962 0.212 5.436 1.00 0.00 C ATOM 501 CG LYS A 36 14.599 -0.393 6.674 1.00 0.00 C ATOM 502 CD LYS A 36 16.084 -0.642 6.472 1.00 0.00 C ATOM 503 CE LYS A 36 16.332 -1.875 5.616 1.00 0.00 C ATOM 504 NZ LYS A 36 17.675 -2.465 5.869 1.00 0.00 N ATOM 0 H LYS A 36 11.918 -0.672 6.494 1.00 0.00 H new ATOM 0 HA LYS A 36 13.036 1.853 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.655 -0.591 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.709 0.802 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.453 0.275 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.102 -1.332 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.539 0.228 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.568 -0.767 7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.563 -2.620 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.245 -1.609 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.805 -3.303 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.410 -1.763 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.750 -2.742 6.869 1.00 0.00 H new ATOM 518 N SER A 37 11.841 1.027 3.493 1.00 0.00 N ATOM 519 CA SER A 37 11.376 1.581 2.227 1.00 0.00 C ATOM 520 C SER A 37 10.310 2.647 2.458 1.00 0.00 C ATOM 521 O SER A 37 10.395 3.753 1.923 1.00 0.00 O ATOM 522 CB SER A 37 10.817 0.470 1.335 1.00 0.00 C ATOM 523 OG SER A 37 9.596 -0.031 1.850 1.00 0.00 O ATOM 0 H SER A 37 11.786 0.010 3.554 1.00 0.00 H new ATOM 0 HA SER A 37 12.227 2.045 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.660 0.853 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.543 -0.340 1.259 1.00 0.00 H new ATOM 0 HG SER A 37 9.781 -0.756 2.483 1.00 0.00 H new ATOM 529 N TYR A 38 9.307 2.308 3.261 1.00 0.00 N ATOM 530 CA TYR A 38 8.222 3.234 3.562 1.00 0.00 C ATOM 531 C TYR A 38 8.766 4.620 3.894 1.00 0.00 C ATOM 532 O TYR A 38 8.179 5.635 3.518 1.00 0.00 O ATOM 533 CB TYR A 38 7.386 2.709 4.731 1.00 0.00 C ATOM 534 CG TYR A 38 6.584 3.783 5.432 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.360 4.204 4.928 1.00 0.00 C ATOM 536 CD2 TYR A 38 7.052 4.377 6.597 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.624 5.185 5.564 1.00 0.00 C ATOM 538 CE2 TYR A 38 6.323 5.358 7.241 1.00 0.00 C ATOM 539 CZ TYR A 38 5.110 5.758 6.721 1.00 0.00 C ATOM 540 OH TYR A 38 4.381 6.736 7.359 1.00 0.00 O ATOM 0 H TYR A 38 9.223 1.398 3.715 1.00 0.00 H new ATOM 0 HA TYR A 38 7.590 3.314 2.678 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.706 1.940 4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.047 2.231 5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.977 3.756 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.002 4.067 7.006 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.674 5.501 5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.701 5.809 8.147 1.00 0.00 H new ATOM 0 HH TYR A 38 4.863 7.034 8.159 1.00 0.00 H new ATOM 550 N ARG A 39 9.892 4.654 4.599 1.00 0.00 N ATOM 551 CA ARG A 39 10.516 5.915 4.982 1.00 0.00 C ATOM 552 C ARG A 39 10.862 6.746 3.750 1.00 0.00 C ATOM 553 O ARG A 39 10.311 7.827 3.542 1.00 0.00 O ATOM 554 CB ARG A 39 11.778 5.654 5.806 1.00 0.00 C ATOM 555 CG ARG A 39 11.514 4.915 7.107 1.00 0.00 C ATOM 556 CD ARG A 39 12.805 4.634 7.860 1.00 0.00 C ATOM 557 NE ARG A 39 12.602 3.700 8.965 1.00 0.00 N ATOM 558 CZ ARG A 39 13.526 3.435 9.882 1.00 0.00 C ATOM 559 NH1 ARG A 39 14.710 4.029 9.826 1.00 0.00 N ATOM 560 NH2 ARG A 39 13.266 2.573 10.857 1.00 0.00 N ATOM 0 H ARG A 39 10.391 3.823 4.917 1.00 0.00 H new ATOM 0 HA ARG A 39 9.804 6.475 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.480 5.076 5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.259 6.606 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.847 5.507 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.003 3.976 6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.545 4.226 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.211 5.569 8.246 1.00 0.00 H new ATOM 0 HE ARG A 39 11.702 3.226 9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.913 4.691 9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.417 3.824 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.356 2.114 10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.976 2.370 11.561 1.00 0.00 H new ATOM 574 N LYS A 40 11.780 6.235 2.936 1.00 0.00 N ATOM 575 CA LYS A 40 12.200 6.928 1.725 1.00 0.00 C ATOM 576 C LYS A 40 10.996 7.308 0.869 1.00 0.00 C ATOM 577 O LYS A 40 10.937 8.405 0.313 1.00 0.00 O ATOM 578 CB LYS A 40 13.157 6.050 0.916 1.00 0.00 C ATOM 579 CG LYS A 40 12.660 4.628 0.721 1.00 0.00 C ATOM 580 CD LYS A 40 13.551 3.852 -0.235 1.00 0.00 C ATOM 581 CE LYS A 40 14.682 3.152 0.502 1.00 0.00 C ATOM 582 NZ LYS A 40 15.661 2.539 -0.438 1.00 0.00 N ATOM 0 H LYS A 40 12.247 5.342 3.094 1.00 0.00 H new ATOM 0 HA LYS A 40 12.716 7.842 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.318 6.507 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.124 6.022 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.627 4.118 1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.641 4.648 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.955 3.115 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.966 4.531 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.195 3.868 1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.269 2.380 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.416 2.072 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.177 1.837 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.074 3.279 -1.041 1.00 0.00 H new ATOM 596 N LEU A 41 10.036 6.394 0.768 1.00 0.00 N ATOM 597 CA LEU A 41 8.831 6.634 -0.019 1.00 0.00 C ATOM 598 C LEU A 41 7.935 7.665 0.659 1.00 0.00 C ATOM 599 O LEU A 41 7.007 8.194 0.047 1.00 0.00 O ATOM 600 CB LEU A 41 8.063 5.327 -0.221 1.00 0.00 C ATOM 601 CG LEU A 41 8.878 4.142 -0.741 1.00 0.00 C ATOM 602 CD1 LEU A 41 8.123 2.840 -0.528 1.00 0.00 C ATOM 603 CD2 LEU A 41 9.215 4.331 -2.213 1.00 0.00 C ATOM 0 H LEU A 41 10.069 5.481 1.221 1.00 0.00 H new ATOM 0 HA LEU A 41 9.132 7.025 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.613 5.043 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.246 5.513 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 41 9.811 4.093 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.719 2.008 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.934 2.699 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.174 2.878 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.795 3.478 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.294 4.407 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.798 5.243 -2.339 1.00 0.00 H new ATOM 615 N ALA A 42 8.219 7.947 1.926 1.00 0.00 N ATOM 616 CA ALA A 42 7.441 8.918 2.686 1.00 0.00 C ATOM 617 C ALA A 42 8.090 10.297 2.642 1.00 0.00 C ATOM 618 O ALA A 42 7.402 11.318 2.633 1.00 0.00 O ATOM 619 CB ALA A 42 7.279 8.454 4.126 1.00 0.00 C ATOM 0 H ALA A 42 8.982 7.517 2.448 1.00 0.00 H new ATOM 0 HA ALA A 42 6.455 8.995 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.696 9.189 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.764 7.494 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.261 8.347 4.586 1.00 0.00 H new ATOM 625 N LEU A 43 9.418 10.319 2.617 1.00 0.00 N ATOM 626 CA LEU A 43 10.161 11.574 2.575 1.00 0.00 C ATOM 627 C LEU A 43 10.079 12.210 1.191 1.00 0.00 C ATOM 628 O LEU A 43 10.047 13.434 1.059 1.00 0.00 O ATOM 629 CB LEU A 43 11.624 11.336 2.952 1.00 0.00 C ATOM 630 CG LEU A 43 11.942 11.348 4.448 1.00 0.00 C ATOM 631 CD1 LEU A 43 12.297 12.754 4.907 1.00 0.00 C ATOM 632 CD2 LEU A 43 10.766 10.805 5.247 1.00 0.00 C ATOM 0 H LEU A 43 10.002 9.483 2.625 1.00 0.00 H new ATOM 0 HA LEU A 43 9.712 12.257 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.932 10.374 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.232 12.098 2.465 1.00 0.00 H new ATOM 0 HG LEU A 43 12.803 10.703 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.520 12.743 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.170 13.107 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.456 13.421 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.010 10.821 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.887 11.424 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.558 9.781 4.938 1.00 0.00 H new ATOM 644 N LYS A 44 10.042 11.371 0.161 1.00 0.00 N ATOM 645 CA LYS A 44 9.959 11.850 -1.214 1.00 0.00 C ATOM 646 C LYS A 44 8.534 12.270 -1.558 1.00 0.00 C ATOM 647 O LYS A 44 8.318 13.289 -2.216 1.00 0.00 O ATOM 648 CB LYS A 44 10.430 10.763 -2.183 1.00 0.00 C ATOM 649 CG LYS A 44 9.472 9.589 -2.293 1.00 0.00 C ATOM 650 CD LYS A 44 10.139 8.383 -2.932 1.00 0.00 C ATOM 651 CE LYS A 44 9.137 7.531 -3.696 1.00 0.00 C ATOM 652 NZ LYS A 44 9.807 6.460 -4.485 1.00 0.00 N ATOM 0 H LYS A 44 10.068 10.355 0.253 1.00 0.00 H new ATOM 0 HA LYS A 44 10.609 12.720 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.567 11.203 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.404 10.397 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.108 9.321 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.604 9.881 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.925 8.717 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.618 7.780 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.435 7.080 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.556 8.166 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.160 5.653 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.062 6.828 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.667 6.150 -3.989 1.00 0.00 H new ATOM 666 N TYR A 45 7.564 11.481 -1.110 1.00 0.00 N ATOM 667 CA TYR A 45 6.159 11.771 -1.372 1.00 0.00 C ATOM 668 C TYR A 45 5.555 12.600 -0.242 1.00 0.00 C ATOM 669 O TYR A 45 4.336 12.639 -0.069 1.00 0.00 O ATOM 670 CB TYR A 45 5.372 10.471 -1.543 1.00 0.00 C ATOM 671 CG TYR A 45 5.636 9.772 -2.857 1.00 0.00 C ATOM 672 CD1 TYR A 45 5.488 10.442 -4.066 1.00 0.00 C ATOM 673 CD2 TYR A 45 6.035 8.442 -2.891 1.00 0.00 C ATOM 674 CE1 TYR A 45 5.727 9.807 -5.269 1.00 0.00 C ATOM 675 CE2 TYR A 45 6.279 7.799 -4.089 1.00 0.00 C ATOM 676 CZ TYR A 45 6.123 8.485 -5.275 1.00 0.00 C ATOM 677 OH TYR A 45 6.364 7.849 -6.471 1.00 0.00 O ATOM 0 H TYR A 45 7.725 10.635 -0.563 1.00 0.00 H new ATOM 0 HA TYR A 45 6.098 12.348 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.621 9.795 -0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.307 10.688 -1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.181 11.477 -4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.157 7.901 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.605 10.342 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.590 6.765 -4.097 1.00 0.00 H new ATOM 0 HH TYR A 45 6.635 6.923 -6.300 1.00 0.00 H new ATOM 687 N HIS A 46 6.416 13.263 0.523 1.00 0.00 N ATOM 688 CA HIS A 46 5.968 14.094 1.635 1.00 0.00 C ATOM 689 C HIS A 46 4.961 15.138 1.163 1.00 0.00 C ATOM 690 O HIS A 46 5.096 15.724 0.088 1.00 0.00 O ATOM 691 CB HIS A 46 7.162 14.782 2.298 1.00 0.00 C ATOM 692 CG HIS A 46 6.964 15.048 3.759 1.00 0.00 C ATOM 693 ND1 HIS A 46 6.639 16.291 4.260 1.00 0.00 N ATOM 694 CD2 HIS A 46 7.046 14.223 4.828 1.00 0.00 C ATOM 695 CE1 HIS A 46 6.531 16.219 5.574 1.00 0.00 C ATOM 696 NE2 HIS A 46 6.773 14.974 5.945 1.00 0.00 N ATOM 0 H HIS A 46 7.428 13.241 0.394 1.00 0.00 H new ATOM 0 HA HIS A 46 5.479 13.449 2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.048 14.161 2.167 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.356 15.726 1.788 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.282 13.169 4.807 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.286 17.038 6.234 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.759 14.627 6.904 1.00 0.00 H new ATOM 704 N PRO A 47 3.927 15.378 1.983 1.00 0.00 N ATOM 705 CA PRO A 47 2.878 16.352 1.669 1.00 0.00 C ATOM 706 C PRO A 47 3.384 17.789 1.729 1.00 0.00 C ATOM 707 O PRO A 47 2.966 18.637 0.941 1.00 0.00 O ATOM 708 CB PRO A 47 1.831 16.108 2.759 1.00 0.00 C ATOM 709 CG PRO A 47 2.596 15.525 3.896 1.00 0.00 C ATOM 710 CD PRO A 47 3.703 14.716 3.279 1.00 0.00 C ATOM 0 HA PRO A 47 2.496 16.228 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.337 17.036 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.053 15.427 2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.997 16.308 4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.955 14.899 4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.601 14.727 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.416 13.672 3.153 1.00 0.00 H new ATOM 718 N ASP A 48 4.286 18.055 2.667 1.00 0.00 N ATOM 719 CA ASP A 48 4.851 19.389 2.828 1.00 0.00 C ATOM 720 C ASP A 48 5.847 19.696 1.714 1.00 0.00 C ATOM 721 O ASP A 48 5.948 20.832 1.251 1.00 0.00 O ATOM 722 CB ASP A 48 5.535 19.516 4.190 1.00 0.00 C ATOM 723 CG ASP A 48 6.171 20.877 4.394 1.00 0.00 C ATOM 724 OD1 ASP A 48 7.325 21.064 3.957 1.00 0.00 O ATOM 725 OD2 ASP A 48 5.514 21.755 4.993 1.00 0.00 O ATOM 0 H ASP A 48 4.642 17.364 3.328 1.00 0.00 H new ATOM 0 HA ASP A 48 4.036 20.111 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.804 19.338 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.299 18.744 4.283 1.00 0.00 H new ATOM 730 N LYS A 49 6.583 18.675 1.288 1.00 0.00 N ATOM 731 CA LYS A 49 7.572 18.833 0.228 1.00 0.00 C ATOM 732 C LYS A 49 6.895 19.080 -1.116 1.00 0.00 C ATOM 733 O LYS A 49 7.447 19.751 -1.987 1.00 0.00 O ATOM 734 CB LYS A 49 8.462 17.592 0.143 1.00 0.00 C ATOM 735 CG LYS A 49 9.181 17.268 1.441 1.00 0.00 C ATOM 736 CD LYS A 49 10.519 17.983 1.531 1.00 0.00 C ATOM 737 CE LYS A 49 11.030 18.032 2.962 1.00 0.00 C ATOM 738 NZ LYS A 49 12.379 18.657 3.049 1.00 0.00 N ATOM 0 H LYS A 49 6.513 17.728 1.661 1.00 0.00 H new ATOM 0 HA LYS A 49 8.189 19.699 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.852 16.737 -0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.201 17.739 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.556 17.556 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.337 16.192 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.248 17.474 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.417 18.997 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.329 18.594 3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.071 17.021 3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.692 18.671 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.054 18.106 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.335 19.631 2.686 1.00 0.00 H new ATOM 752 N ASN A 50 5.694 18.533 -1.277 1.00 0.00 N ATOM 753 CA ASN A 50 4.941 18.694 -2.516 1.00 0.00 C ATOM 754 C ASN A 50 3.580 19.329 -2.246 1.00 0.00 C ATOM 755 O ASN A 50 2.555 18.651 -2.167 1.00 0.00 O ATOM 756 CB ASN A 50 4.756 17.341 -3.205 1.00 0.00 C ATOM 757 CG ASN A 50 6.065 16.591 -3.364 1.00 0.00 C ATOM 758 OD1 ASN A 50 6.698 16.642 -4.419 1.00 0.00 O ATOM 759 ND2 ASN A 50 6.475 15.888 -2.315 1.00 0.00 N ATOM 0 H ASN A 50 5.222 17.975 -0.566 1.00 0.00 H new ATOM 0 HA ASN A 50 5.508 19.354 -3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.060 16.734 -2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.306 17.494 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.347 15.361 -2.363 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.918 15.875 -1.461 1.00 0.00 H new ATOM 766 N PRO A 51 3.568 20.663 -2.101 1.00 0.00 N ATOM 767 CA PRO A 51 2.340 21.419 -1.839 1.00 0.00 C ATOM 768 C PRO A 51 1.405 21.444 -3.044 1.00 0.00 C ATOM 769 O PRO A 51 1.855 21.479 -4.189 1.00 0.00 O ATOM 770 CB PRO A 51 2.850 22.829 -1.529 1.00 0.00 C ATOM 771 CG PRO A 51 4.163 22.918 -2.228 1.00 0.00 C ATOM 772 CD PRO A 51 4.752 21.535 -2.182 1.00 0.00 C ATOM 0 HA PRO A 51 1.754 20.976 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.157 23.589 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.961 22.983 -0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.035 23.254 -3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.818 23.638 -1.737 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.348 21.322 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.406 21.405 -1.320 1.00 0.00 H new ATOM 780 N ASP A 52 0.104 21.424 -2.778 1.00 0.00 N ATOM 781 CA ASP A 52 -0.894 21.446 -3.841 1.00 0.00 C ATOM 782 C ASP A 52 -0.514 20.483 -4.962 1.00 0.00 C ATOM 783 O ASP A 52 -0.504 20.854 -6.135 1.00 0.00 O ATOM 784 CB ASP A 52 -1.047 22.862 -4.398 1.00 0.00 C ATOM 785 CG ASP A 52 -1.171 23.904 -3.304 1.00 0.00 C ATOM 786 OD1 ASP A 52 -1.995 23.706 -2.387 1.00 0.00 O ATOM 787 OD2 ASP A 52 -0.443 24.918 -3.364 1.00 0.00 O ATOM 0 H ASP A 52 -0.284 21.393 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.846 21.126 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.187 23.098 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.928 22.904 -5.038 1.00 0.00 H new ATOM 792 N ASN A 53 -0.202 19.245 -4.592 1.00 0.00 N ATOM 793 CA ASN A 53 0.180 18.230 -5.566 1.00 0.00 C ATOM 794 C ASN A 53 -0.831 17.088 -5.587 1.00 0.00 C ATOM 795 O ASN A 53 -1.084 16.431 -4.576 1.00 0.00 O ATOM 796 CB ASN A 53 1.574 17.686 -5.247 1.00 0.00 C ATOM 797 CG ASN A 53 2.205 16.981 -6.432 1.00 0.00 C ATOM 798 OD1 ASN A 53 2.156 15.755 -6.538 1.00 0.00 O ATOM 799 ND2 ASN A 53 2.803 17.755 -7.331 1.00 0.00 N ATOM 0 H ASN A 53 -0.206 18.921 -3.625 1.00 0.00 H new ATOM 0 HA ASN A 53 0.196 18.696 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.218 18.507 -4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.507 16.993 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.246 17.338 -8.150 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.819 18.767 -7.203 1.00 0.00 H new ATOM 806 N PRO A 54 -1.424 16.844 -6.765 1.00 0.00 N ATOM 807 CA PRO A 54 -2.417 15.780 -6.946 1.00 0.00 C ATOM 808 C PRO A 54 -1.798 14.389 -6.858 1.00 0.00 C ATOM 809 O PRO A 54 -2.277 13.533 -6.115 1.00 0.00 O ATOM 810 CB PRO A 54 -2.958 16.036 -8.355 1.00 0.00 C ATOM 811 CG PRO A 54 -1.859 16.755 -9.058 1.00 0.00 C ATOM 812 CD PRO A 54 -1.171 17.587 -8.011 1.00 0.00 C ATOM 0 HA PRO A 54 -3.182 15.800 -6.170 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.206 15.102 -8.859 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.868 16.635 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.164 16.052 -9.517 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.252 17.382 -9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.104 17.684 -8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.580 18.596 -7.967 1.00 0.00 H new ATOM 820 N GLU A 55 -0.731 14.171 -7.621 1.00 0.00 N ATOM 821 CA GLU A 55 -0.048 12.883 -7.628 1.00 0.00 C ATOM 822 C GLU A 55 0.516 12.558 -6.247 1.00 0.00 C ATOM 823 O GLU A 55 0.541 11.400 -5.832 1.00 0.00 O ATOM 824 CB GLU A 55 1.078 12.883 -8.664 1.00 0.00 C ATOM 825 CG GLU A 55 2.232 13.805 -8.308 1.00 0.00 C ATOM 826 CD GLU A 55 3.490 13.495 -9.095 1.00 0.00 C ATOM 827 OE1 GLU A 55 3.556 13.877 -10.282 1.00 0.00 O ATOM 828 OE2 GLU A 55 4.409 12.871 -8.525 1.00 0.00 O ATOM 0 H GLU A 55 -0.322 14.869 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.776 12.116 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.457 11.867 -8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.671 13.180 -9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.937 14.838 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.444 13.720 -7.242 1.00 0.00 H new ATOM 835 N ALA A 56 0.968 13.590 -5.542 1.00 0.00 N ATOM 836 CA ALA A 56 1.530 13.416 -4.209 1.00 0.00 C ATOM 837 C ALA A 56 0.514 12.788 -3.262 1.00 0.00 C ATOM 838 O ALA A 56 0.813 11.814 -2.572 1.00 0.00 O ATOM 839 CB ALA A 56 2.011 14.752 -3.660 1.00 0.00 C ATOM 0 H ALA A 56 0.956 14.555 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 56 2.381 12.740 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.428 14.607 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.777 15.161 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.172 15.446 -3.604 1.00 0.00 H new ATOM 845 N ALA A 57 -0.689 13.353 -3.233 1.00 0.00 N ATOM 846 CA ALA A 57 -1.750 12.847 -2.371 1.00 0.00 C ATOM 847 C ALA A 57 -2.104 11.406 -2.724 1.00 0.00 C ATOM 848 O ALA A 57 -2.266 10.563 -1.842 1.00 0.00 O ATOM 849 CB ALA A 57 -2.981 13.735 -2.473 1.00 0.00 C ATOM 0 H ALA A 57 -0.953 14.161 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.388 12.863 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.765 13.345 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.725 14.749 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.336 13.748 -3.504 1.00 0.00 H new ATOM 855 N ASP A 58 -2.224 11.132 -4.018 1.00 0.00 N ATOM 856 CA ASP A 58 -2.558 9.792 -4.488 1.00 0.00 C ATOM 857 C ASP A 58 -1.540 8.772 -3.990 1.00 0.00 C ATOM 858 O ASP A 58 -1.899 7.774 -3.364 1.00 0.00 O ATOM 859 CB ASP A 58 -2.621 9.765 -6.016 1.00 0.00 C ATOM 860 CG ASP A 58 -3.980 10.179 -6.547 1.00 0.00 C ATOM 861 OD1 ASP A 58 -4.975 9.499 -6.223 1.00 0.00 O ATOM 862 OD2 ASP A 58 -4.047 11.182 -7.288 1.00 0.00 O ATOM 0 H ASP A 58 -2.095 11.819 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.536 9.527 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.858 10.431 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.387 8.761 -6.369 1.00 0.00 H new ATOM 867 N LYS A 59 -0.267 9.027 -4.273 1.00 0.00 N ATOM 868 CA LYS A 59 0.805 8.132 -3.854 1.00 0.00 C ATOM 869 C LYS A 59 0.867 8.030 -2.334 1.00 0.00 C ATOM 870 O LYS A 59 0.602 6.973 -1.761 1.00 0.00 O ATOM 871 CB LYS A 59 2.149 8.623 -4.398 1.00 0.00 C ATOM 872 CG LYS A 59 2.499 8.051 -5.761 1.00 0.00 C ATOM 873 CD LYS A 59 2.998 6.619 -5.653 1.00 0.00 C ATOM 874 CE LYS A 59 1.855 5.621 -5.763 1.00 0.00 C ATOM 875 NZ LYS A 59 2.299 4.335 -6.368 1.00 0.00 N ATOM 0 H LYS A 59 0.048 9.847 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 59 0.596 7.142 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.129 9.711 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.936 8.361 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.621 8.084 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.264 8.669 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.728 6.426 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.512 6.482 -4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.441 5.433 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.055 6.050 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.492 3.682 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.671 4.511 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.044 3.913 -5.778 1.00 0.00 H new ATOM 889 N PHE A 60 1.216 9.136 -1.685 1.00 0.00 N ATOM 890 CA PHE A 60 1.311 9.171 -0.230 1.00 0.00 C ATOM 891 C PHE A 60 0.101 8.497 0.411 1.00 0.00 C ATOM 892 O PHE A 60 0.244 7.627 1.270 1.00 0.00 O ATOM 893 CB PHE A 60 1.423 10.617 0.260 1.00 0.00 C ATOM 894 CG PHE A 60 1.932 10.734 1.668 1.00 0.00 C ATOM 895 CD1 PHE A 60 3.104 10.102 2.051 1.00 0.00 C ATOM 896 CD2 PHE A 60 1.238 11.478 2.610 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.573 10.207 3.346 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.704 11.588 3.906 1.00 0.00 C ATOM 899 CZ PHE A 60 2.873 10.953 4.275 1.00 0.00 C ATOM 0 H PHE A 60 1.438 10.020 -2.143 1.00 0.00 H new ATOM 0 HA PHE A 60 2.207 8.624 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.088 11.167 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.444 11.091 0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.657 9.520 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.323 11.977 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.486 9.706 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.154 12.171 4.630 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.240 11.039 5.287 1.00 0.00 H new ATOM 909 N LYS A 61 -1.090 8.906 -0.013 1.00 0.00 N ATOM 910 CA LYS A 61 -2.326 8.343 0.517 1.00 0.00 C ATOM 911 C LYS A 61 -2.329 6.823 0.390 1.00 0.00 C ATOM 912 O LYS A 61 -2.962 6.127 1.184 1.00 0.00 O ATOM 913 CB LYS A 61 -3.534 8.929 -0.218 1.00 0.00 C ATOM 914 CG LYS A 61 -4.861 8.340 0.228 1.00 0.00 C ATOM 915 CD LYS A 61 -5.239 7.125 -0.603 1.00 0.00 C ATOM 916 CE LYS A 61 -6.059 7.517 -1.822 1.00 0.00 C ATOM 917 NZ LYS A 61 -7.488 7.754 -1.476 1.00 0.00 N ATOM 0 H LYS A 61 -1.225 9.626 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.391 8.602 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.555 10.008 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.413 8.762 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.800 8.058 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.642 9.096 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.335 6.606 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.808 6.426 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.639 8.419 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.993 6.730 -2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.013 8.019 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.896 6.886 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.553 8.523 -0.779 1.00 0.00 H new ATOM 931 N GLU A 62 -1.618 6.315 -0.611 1.00 0.00 N ATOM 932 CA GLU A 62 -1.540 4.877 -0.840 1.00 0.00 C ATOM 933 C GLU A 62 -0.487 4.239 0.063 1.00 0.00 C ATOM 934 O GLU A 62 -0.711 3.174 0.639 1.00 0.00 O ATOM 935 CB GLU A 62 -1.212 4.588 -2.306 1.00 0.00 C ATOM 936 CG GLU A 62 -2.442 4.438 -3.186 1.00 0.00 C ATOM 937 CD GLU A 62 -2.210 3.508 -4.360 1.00 0.00 C ATOM 938 OE1 GLU A 62 -1.875 2.328 -4.124 1.00 0.00 O ATOM 939 OE2 GLU A 62 -2.362 3.958 -5.515 1.00 0.00 O ATOM 0 H GLU A 62 -1.088 6.878 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.511 4.444 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.592 5.395 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.620 3.674 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.269 4.060 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.740 5.418 -3.558 1.00 0.00 H new ATOM 946 N ILE A 63 0.661 4.898 0.180 1.00 0.00 N ATOM 947 CA ILE A 63 1.747 4.396 1.012 1.00 0.00 C ATOM 948 C ILE A 63 1.298 4.226 2.459 1.00 0.00 C ATOM 949 O ILE A 63 1.416 3.145 3.033 1.00 0.00 O ATOM 950 CB ILE A 63 2.967 5.336 0.972 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.312 5.699 -0.474 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.159 4.687 1.659 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.578 6.515 -0.607 1.00 0.00 C ATOM 0 H ILE A 63 0.863 5.780 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 63 2.032 3.425 0.606 1.00 0.00 H new ATOM 0 HB ILE A 63 2.718 6.252 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.418 4.783 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.482 6.257 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.013 5.364 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.909 4.475 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.411 3.757 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.760 6.735 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.469 7.448 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.419 5.951 -0.204 1.00 0.00 H new ATOM 965 N ASN A 64 0.781 5.302 3.043 1.00 0.00 N ATOM 966 CA ASN A 64 0.312 5.272 4.423 1.00 0.00 C ATOM 967 C ASN A 64 -0.537 4.031 4.683 1.00 0.00 C ATOM 968 O ASN A 64 -0.216 3.217 5.547 1.00 0.00 O ATOM 969 CB ASN A 64 -0.498 6.532 4.737 1.00 0.00 C ATOM 970 CG ASN A 64 0.385 7.715 5.085 1.00 0.00 C ATOM 971 OD1 ASN A 64 0.711 7.939 6.251 1.00 0.00 O ATOM 972 ND2 ASN A 64 0.776 8.480 4.072 1.00 0.00 N ATOM 0 H ASN A 64 0.676 6.206 2.582 1.00 0.00 H new ATOM 0 HA ASN A 64 1.185 5.237 5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.118 6.786 3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.173 6.329 5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.371 9.291 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.482 8.257 3.121 1.00 0.00 H new ATOM 979 N ASN A 65 -1.621 3.894 3.926 1.00 0.00 N ATOM 980 CA ASN A 65 -2.516 2.752 4.074 1.00 0.00 C ATOM 981 C ASN A 65 -1.756 1.440 3.907 1.00 0.00 C ATOM 982 O ASN A 65 -1.820 0.560 4.764 1.00 0.00 O ATOM 983 CB ASN A 65 -3.651 2.831 3.051 1.00 0.00 C ATOM 984 CG ASN A 65 -3.305 2.135 1.749 1.00 0.00 C ATOM 985 OD1 ASN A 65 -3.078 2.782 0.727 1.00 0.00 O ATOM 986 ND2 ASN A 65 -3.264 0.808 1.781 1.00 0.00 N ATOM 0 H ASN A 65 -1.901 4.559 3.205 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.939 2.781 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.549 2.380 3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.883 3.877 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.037 0.284 0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.459 0.313 2.651 1.00 0.00 H new ATOM 993 N ALA A 66 -1.037 1.316 2.796 1.00 0.00 N ATOM 994 CA ALA A 66 -0.263 0.114 2.517 1.00 0.00 C ATOM 995 C ALA A 66 0.591 -0.281 3.717 1.00 0.00 C ATOM 996 O ALA A 66 0.349 -1.307 4.354 1.00 0.00 O ATOM 997 CB ALA A 66 0.613 0.322 1.290 1.00 0.00 C ATOM 0 H ALA A 66 -0.975 2.034 2.074 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.962 -0.699 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.186 -0.585 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.015 0.548 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.297 1.152 1.468 1.00 0.00 H new ATOM 1003 N HIS A 67 1.591 0.540 4.022 1.00 0.00 N ATOM 1004 CA HIS A 67 2.481 0.276 5.147 1.00 0.00 C ATOM 1005 C HIS A 67 1.685 0.066 6.431 1.00 0.00 C ATOM 1006 O HIS A 67 1.963 -0.852 7.202 1.00 0.00 O ATOM 1007 CB HIS A 67 3.467 1.431 5.327 1.00 0.00 C ATOM 1008 CG HIS A 67 4.264 1.347 6.592 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.965 2.081 7.720 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.354 0.608 6.904 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.837 1.799 8.671 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.691 0.907 8.201 1.00 0.00 N ATOM 0 H HIS A 67 1.805 1.393 3.506 1.00 0.00 H new ATOM 0 HA HIS A 67 3.038 -0.636 4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.150 1.450 4.478 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.917 2.372 5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.864 -0.087 6.254 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.850 2.225 9.663 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.474 0.506 8.718 1.00 0.00 H new ATOM 1020 N ALA A 68 0.695 0.924 6.655 1.00 0.00 N ATOM 1021 CA ALA A 68 -0.141 0.831 7.845 1.00 0.00 C ATOM 1022 C ALA A 68 -0.768 -0.553 7.970 1.00 0.00 C ATOM 1023 O ALA A 68 -0.925 -1.077 9.073 1.00 0.00 O ATOM 1024 CB ALA A 68 -1.222 1.902 7.815 1.00 0.00 C ATOM 0 H ALA A 68 0.453 1.691 6.028 1.00 0.00 H new ATOM 0 HA ALA A 68 0.492 0.993 8.717 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.839 1.821 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.757 2.887 7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.845 1.766 6.931 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.125 -1.140 6.832 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.734 -2.464 6.815 1.00 0.00 C ATOM 1032 C ILE A 69 -0.682 -3.556 6.974 1.00 0.00 C ATOM 1033 O ILE A 69 -0.925 -4.578 7.617 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.516 -2.707 5.510 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.751 -1.806 5.454 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.915 -4.170 5.396 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.450 -1.821 4.113 1.00 0.00 C ATOM 0 H ILE A 69 -1.003 -0.720 5.911 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.425 -2.504 7.657 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.871 -2.460 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.455 -2.120 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.456 -0.783 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.467 -4.325 4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.020 -4.792 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.545 -4.442 6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.316 -1.160 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.762 -1.478 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.777 -2.835 3.884 1.00 0.00 H new ATOM 1049 N LEU A 70 0.488 -3.332 6.388 1.00 0.00 N ATOM 1050 CA LEU A 70 1.580 -4.296 6.466 1.00 0.00 C ATOM 1051 C LEU A 70 2.243 -4.258 7.840 1.00 0.00 C ATOM 1052 O LEU A 70 2.855 -5.235 8.273 1.00 0.00 O ATOM 1053 CB LEU A 70 2.618 -4.011 5.379 1.00 0.00 C ATOM 1054 CG LEU A 70 2.090 -3.954 3.945 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.060 -3.200 3.048 1.00 0.00 C ATOM 1056 CD2 LEU A 70 1.847 -5.358 3.410 1.00 0.00 C ATOM 0 H LEU A 70 0.705 -2.491 5.853 1.00 0.00 H new ATOM 0 HA LEU A 70 1.164 -5.291 6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.100 -3.060 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.389 -4.780 5.431 1.00 0.00 H new ATOM 0 HG LEU A 70 1.140 -3.419 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.667 -3.170 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.184 -2.183 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.025 -3.706 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.471 -5.298 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.782 -5.918 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.113 -5.864 4.037 1.00 0.00 H new ATOM 1068 N THR A 71 2.114 -3.125 8.522 1.00 0.00 N ATOM 1069 CA THR A 71 2.698 -2.959 9.847 1.00 0.00 C ATOM 1070 C THR A 71 1.774 -3.508 10.928 1.00 0.00 C ATOM 1071 O THR A 71 1.751 -3.006 12.052 1.00 0.00 O ATOM 1072 CB THR A 71 2.999 -1.479 10.148 1.00 0.00 C ATOM 1073 OG1 THR A 71 1.941 -0.653 9.648 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.319 -1.057 9.520 1.00 0.00 C ATOM 0 H THR A 71 1.610 -2.308 8.178 1.00 0.00 H new ATOM 0 HA THR A 71 3.633 -3.520 9.852 1.00 0.00 H new ATOM 0 HB THR A 71 3.074 -1.358 11.229 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.105 -0.447 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.511 -0.008 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.126 -1.668 9.924 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.267 -1.192 8.440 1.00 0.00 H new ATOM 1082 N ASP A 72 1.014 -4.541 10.582 1.00 0.00 N ATOM 1083 CA ASP A 72 0.088 -5.159 11.524 1.00 0.00 C ATOM 1084 C ASP A 72 -0.186 -6.611 11.143 1.00 0.00 C ATOM 1085 O ASP A 72 -0.666 -6.894 10.045 1.00 0.00 O ATOM 1086 CB ASP A 72 -1.224 -4.375 11.572 1.00 0.00 C ATOM 1087 CG ASP A 72 -2.032 -4.675 12.819 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -1.743 -4.072 13.873 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -2.954 -5.515 12.740 1.00 0.00 O ATOM 0 H ASP A 72 1.021 -4.968 9.656 1.00 0.00 H new ATOM 0 HA ASP A 72 0.548 -5.142 12.512 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.008 -3.307 11.531 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.819 -4.614 10.691 1.00 0.00 H new ATOM 1094 N ALA A 73 0.122 -7.526 12.056 1.00 0.00 N ATOM 1095 CA ALA A 73 -0.093 -8.947 11.816 1.00 0.00 C ATOM 1096 C ALA A 73 -1.564 -9.242 11.542 1.00 0.00 C ATOM 1097 O ALA A 73 -1.911 -9.817 10.510 1.00 0.00 O ATOM 1098 CB ALA A 73 0.399 -9.763 13.002 1.00 0.00 C ATOM 0 H ALA A 73 0.521 -7.308 12.969 1.00 0.00 H new ATOM 0 HA ALA A 73 0.478 -9.231 10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.232 -10.823 12.809 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.464 -9.584 13.150 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.146 -9.467 13.898 1.00 0.00 H new ATOM 1104 N THR A 74 -2.425 -8.845 12.473 1.00 0.00 N ATOM 1105 CA THR A 74 -3.859 -9.068 12.333 1.00 0.00 C ATOM 1106 C THR A 74 -4.306 -8.878 10.888 1.00 0.00 C ATOM 1107 O THR A 74 -4.838 -9.798 10.266 1.00 0.00 O ATOM 1108 CB THR A 74 -4.666 -8.118 13.238 1.00 0.00 C ATOM 1109 OG1 THR A 74 -4.267 -8.284 14.603 1.00 0.00 O ATOM 1110 CG2 THR A 74 -6.158 -8.382 13.105 1.00 0.00 C ATOM 0 H THR A 74 -2.155 -8.367 13.333 1.00 0.00 H new ATOM 0 HA THR A 74 -4.051 -10.097 12.637 1.00 0.00 H new ATOM 0 HB THR A 74 -4.464 -7.094 12.923 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.784 -7.675 15.171 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.707 -7.699 13.753 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.464 -8.226 12.071 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.373 -9.410 13.396 1.00 0.00 H new ATOM 1118 N LYS A 75 -4.088 -7.679 10.359 1.00 0.00 N ATOM 1119 CA LYS A 75 -4.466 -7.368 8.986 1.00 0.00 C ATOM 1120 C LYS A 75 -3.593 -8.131 7.994 1.00 0.00 C ATOM 1121 O LYS A 75 -4.100 -8.785 7.082 1.00 0.00 O ATOM 1122 CB LYS A 75 -4.350 -5.864 8.731 1.00 0.00 C ATOM 1123 CG LYS A 75 -5.152 -5.018 9.705 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.515 -3.670 9.106 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.828 -3.735 8.341 1.00 0.00 C ATOM 1126 NZ LYS A 75 -8.003 -3.583 9.244 1.00 0.00 N ATOM 0 H LYS A 75 -3.651 -6.906 10.861 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.502 -7.676 8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.301 -5.574 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.684 -5.649 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.062 -5.549 9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.576 -4.868 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.592 -2.927 9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.719 -3.342 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.847 -2.950 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.895 -4.687 7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.879 -3.633 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.999 -4.346 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.953 -2.664 9.728 1.00 0.00 H new ATOM 1140 N ARG A 76 -2.280 -8.045 8.181 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.338 -8.728 7.303 1.00 0.00 C ATOM 1142 C ARG A 76 -1.847 -10.118 6.934 1.00 0.00 C ATOM 1143 O ARG A 76 -1.700 -10.561 5.796 1.00 0.00 O ATOM 1144 CB ARG A 76 0.032 -8.837 7.976 1.00 0.00 C ATOM 1145 CG ARG A 76 0.956 -7.670 7.670 1.00 0.00 C ATOM 1146 CD ARG A 76 1.844 -7.963 6.470 1.00 0.00 C ATOM 1147 NE ARG A 76 1.208 -8.880 5.529 1.00 0.00 N ATOM 1148 CZ ARG A 76 0.312 -8.500 4.624 1.00 0.00 C ATOM 1149 NH1 ARG A 76 -0.051 -7.228 4.540 1.00 0.00 N ATOM 1150 NH2 ARG A 76 -0.223 -9.394 3.802 1.00 0.00 N ATOM 0 H ARG A 76 -1.845 -7.509 8.932 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.241 -8.141 6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.107 -8.906 9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.511 -9.762 7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.363 -6.776 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.577 -7.458 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.084 -7.030 5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.786 -8.391 6.812 1.00 0.00 H new ATOM 0 HE ARG A 76 1.465 -9.866 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.358 -6.538 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.739 -6.939 3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.053 -10.374 3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.911 -9.101 3.108 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.446 -10.800 7.904 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.977 -12.140 7.682 1.00 0.00 C ATOM 1166 C ASN A 77 -4.278 -12.085 6.887 1.00 0.00 C ATOM 1167 O ASN A 77 -4.564 -12.972 6.083 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.212 -12.847 9.018 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.267 -14.355 8.873 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -3.480 -14.877 7.779 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -3.075 -15.063 9.980 1.00 0.00 N ATOM 0 H ASN A 77 -2.576 -10.447 8.852 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.243 -12.703 7.105 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.415 -12.580 9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.146 -12.492 9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.101 -16.082 9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.902 -14.588 10.866 1.00 0.00 H new ATOM 1178 N ILE A 78 -5.062 -11.037 7.118 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.331 -10.866 6.423 1.00 0.00 C ATOM 1180 C ILE A 78 -6.112 -10.569 4.943 1.00 0.00 C ATOM 1181 O ILE A 78 -6.747 -11.171 4.077 1.00 0.00 O ATOM 1182 CB ILE A 78 -7.165 -9.730 7.045 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.480 -10.043 8.509 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.448 -9.521 6.255 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.935 -8.836 9.300 1.00 0.00 C ATOM 0 H ILE A 78 -4.840 -10.294 7.781 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.876 -11.804 6.526 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.584 -8.809 7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.256 -10.808 8.550 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.592 -10.464 8.981 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.026 -8.715 6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.203 -9.259 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.035 -10.439 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.141 -9.132 10.329 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.152 -8.078 9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.841 -8.428 8.852 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.208 -9.637 4.661 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.905 -9.259 3.286 1.00 0.00 C ATOM 1199 C TYR A 79 -4.204 -10.396 2.550 1.00 0.00 C ATOM 1200 O TYR A 79 -4.216 -10.456 1.320 1.00 0.00 O ATOM 1201 CB TYR A 79 -4.030 -8.004 3.261 1.00 0.00 C ATOM 1202 CG TYR A 79 -4.059 -7.272 1.938 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -5.148 -6.487 1.580 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.997 -7.366 1.046 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -5.179 -5.817 0.372 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -3.019 -6.698 -0.163 1.00 0.00 C ATOM 1207 CZ TYR A 79 -4.112 -5.925 -0.495 1.00 0.00 C ATOM 1208 OH TYR A 79 -4.138 -5.259 -1.699 1.00 0.00 O ATOM 0 H TYR A 79 -4.673 -9.130 5.366 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.846 -9.048 2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.359 -7.326 4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.002 -8.284 3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.984 -6.399 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.140 -7.971 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.034 -5.212 0.108 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.185 -6.781 -0.844 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.310 -5.440 -2.191 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.594 -11.298 3.312 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.888 -12.436 2.734 1.00 0.00 C ATOM 1220 C ASP A 80 -3.845 -13.597 2.482 1.00 0.00 C ATOM 1221 O ASP A 80 -3.737 -14.298 1.475 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.755 -12.883 3.659 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.975 -14.053 3.093 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -0.731 -14.067 1.869 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -0.608 -14.956 3.875 1.00 0.00 O ATOM 0 H ASP A 80 -3.574 -11.263 4.331 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.465 -12.124 1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.077 -12.046 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.169 -13.161 4.628 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.781 -13.797 3.404 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.757 -14.873 3.283 1.00 0.00 C ATOM 1232 C LYS A 81 -6.918 -14.456 2.385 1.00 0.00 C ATOM 1233 O LYS A 81 -7.221 -15.123 1.396 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.283 -15.270 4.664 1.00 0.00 C ATOM 1235 CG LYS A 81 -6.688 -16.730 4.764 1.00 0.00 C ATOM 1236 CD LYS A 81 -7.421 -17.018 6.064 1.00 0.00 C ATOM 1237 CE LYS A 81 -7.716 -18.501 6.221 1.00 0.00 C ATOM 1238 NZ LYS A 81 -8.775 -18.959 5.279 1.00 0.00 N ATOM 0 H LYS A 81 -4.884 -13.227 4.244 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.260 -15.731 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.515 -15.063 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.142 -14.646 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.327 -16.990 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.801 -17.360 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.820 -16.675 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.354 -16.456 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.804 -19.073 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.029 -18.702 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.959 -19.972 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.648 -18.420 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.459 -18.806 4.300 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.563 -13.349 2.737 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.692 -12.844 1.964 1.00 0.00 C ATOM 1254 C TYR A 82 -8.229 -11.822 0.930 1.00 0.00 C ATOM 1255 O TYR A 82 -8.291 -12.068 -0.274 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.731 -12.214 2.892 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.995 -13.021 4.143 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -10.101 -14.405 4.091 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.138 -12.399 5.377 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.343 -15.146 5.231 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.378 -13.132 6.523 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.480 -14.506 6.445 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.720 -15.240 7.584 1.00 0.00 O ATOM 0 H TYR A 82 -7.324 -12.785 3.552 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.147 -13.684 1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.394 -11.217 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.666 -12.090 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.992 -14.910 3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.060 -11.324 5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.425 -16.221 5.172 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.485 -12.633 7.475 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.789 -14.637 8.353 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.765 -10.672 1.411 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.298 -9.629 0.516 1.00 0.00 C ATOM 1275 C GLY A 83 -7.920 -8.281 0.823 1.00 0.00 C ATOM 1276 O GLY A 83 -8.042 -7.896 1.986 1.00 0.00 O ATOM 0 H GLY A 83 -7.704 -10.444 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.213 -9.550 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.529 -9.907 -0.512 1.00 0.00 H new ATOM 1280 N SER A 84 -8.314 -7.561 -0.222 1.00 0.00 N ATOM 1281 CA SER A 84 -8.922 -6.245 -0.059 1.00 0.00 C ATOM 1282 C SER A 84 -10.321 -6.364 0.538 1.00 0.00 C ATOM 1283 O SER A 84 -10.727 -5.548 1.367 1.00 0.00 O ATOM 1284 CB SER A 84 -8.988 -5.520 -1.404 1.00 0.00 C ATOM 1285 OG SER A 84 -9.779 -6.240 -2.333 1.00 0.00 O ATOM 0 H SER A 84 -8.223 -7.866 -1.191 1.00 0.00 H new ATOM 0 HA SER A 84 -8.302 -5.667 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.405 -4.523 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.981 -5.392 -1.801 1.00 0.00 H new ATOM 0 HG SER A 84 -9.807 -5.755 -3.184 1.00 0.00 H new ATOM 1291 N LEU A 85 -11.055 -7.385 0.109 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.410 -7.612 0.600 1.00 0.00 C ATOM 1293 C LEU A 85 -12.404 -7.921 2.093 1.00 0.00 C ATOM 1294 O LEU A 85 -13.145 -7.316 2.866 1.00 0.00 O ATOM 1295 CB LEU A 85 -13.066 -8.761 -0.168 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.517 -9.071 0.198 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -15.438 -7.957 -0.276 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.944 -10.406 -0.395 1.00 0.00 C ATOM 0 H LEU A 85 -10.735 -8.068 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.985 -6.700 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -13.022 -8.532 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.472 -9.662 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.590 -9.138 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.467 -8.196 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -15.147 -7.019 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -15.361 -7.857 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.980 -10.610 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.854 -10.367 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.304 -11.198 -0.006 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.560 -8.868 2.493 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.471 -9.240 3.893 1.00 0.00 C ATOM 1312 C GLY A 86 -11.411 -8.035 4.810 1.00 0.00 C ATOM 1313 O GLY A 86 -12.106 -7.982 5.826 1.00 0.00 O ATOM 0 H GLY A 86 -10.936 -9.384 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.333 -9.852 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.584 -9.854 4.047 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.577 -7.064 4.455 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.426 -5.853 5.255 1.00 0.00 C ATOM 1319 C LEU A 87 -11.777 -5.186 5.492 1.00 0.00 C ATOM 1320 O LEU A 87 -12.120 -4.842 6.624 1.00 0.00 O ATOM 1321 CB LEU A 87 -9.477 -4.875 4.561 1.00 0.00 C ATOM 1322 CG LEU A 87 -8.048 -5.371 4.337 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -7.188 -4.268 3.739 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.446 -5.871 5.642 1.00 0.00 C ATOM 0 H LEU A 87 -9.995 -7.091 3.618 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.006 -6.135 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.904 -4.610 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.434 -3.960 5.152 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.079 -6.202 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.175 -4.639 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.608 -3.957 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.164 -3.416 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.429 -6.220 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.429 -5.059 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.049 -6.692 6.030 1.00 0.00 H new ATOM 1336 N TYR A 88 -12.541 -5.010 4.420 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.854 -4.384 4.512 1.00 0.00 C ATOM 1338 C TYR A 88 -14.704 -5.056 5.586 1.00 0.00 C ATOM 1339 O TYR A 88 -14.990 -4.465 6.628 1.00 0.00 O ATOM 1340 CB TYR A 88 -14.571 -4.453 3.162 1.00 0.00 C ATOM 1341 CG TYR A 88 -16.078 -4.472 3.277 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -16.725 -3.794 4.303 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -16.856 -5.167 2.359 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -18.102 -3.809 4.412 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -18.234 -5.186 2.459 1.00 0.00 C ATOM 1346 CZ TYR A 88 -18.852 -4.506 3.488 1.00 0.00 C ATOM 1347 OH TYR A 88 -20.224 -4.522 3.593 1.00 0.00 O ATOM 0 H TYR A 88 -12.273 -5.292 3.477 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.711 -3.339 4.788 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.272 -3.597 2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -14.244 -5.348 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -16.141 -3.246 5.028 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -16.375 -5.702 1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.589 -3.278 5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.824 -5.730 1.736 1.00 0.00 H new ATOM 0 HH TYR A 88 -20.602 -5.057 2.864 1.00 0.00 H new ATOM 1357 N VAL A 89 -15.104 -6.296 5.325 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.920 -7.051 6.269 1.00 0.00 C ATOM 1359 C VAL A 89 -15.334 -6.986 7.675 1.00 0.00 C ATOM 1360 O VAL A 89 -16.015 -6.598 8.624 1.00 0.00 O ATOM 1361 CB VAL A 89 -16.047 -8.526 5.846 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.921 -9.290 6.829 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -16.604 -8.629 4.434 1.00 0.00 C ATOM 0 H VAL A 89 -14.876 -6.799 4.468 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.910 -6.594 6.269 1.00 0.00 H new ATOM 0 HB VAL A 89 -15.054 -8.975 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.999 -10.330 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.476 -9.244 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.915 -8.843 6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.687 -9.678 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -17.589 -8.164 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.935 -8.118 3.741 1.00 0.00 H new ATOM 1373 N ALA A 90 -14.068 -7.368 7.801 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.389 -7.351 9.091 1.00 0.00 C ATOM 1375 C ALA A 90 -13.358 -5.943 9.676 1.00 0.00 C ATOM 1376 O ALA A 90 -13.063 -5.758 10.856 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.977 -7.898 8.952 1.00 0.00 C ATOM 0 H ALA A 90 -13.491 -7.693 7.025 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.947 -7.989 9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.482 -7.879 9.923 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.019 -8.924 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.417 -7.284 8.247 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.663 -4.953 8.842 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.667 -3.562 9.278 1.00 0.00 C ATOM 1385 C GLU A 91 -14.804 -3.303 10.262 1.00 0.00 C ATOM 1386 O GLU A 91 -14.578 -2.824 11.373 1.00 0.00 O ATOM 1387 CB GLU A 91 -13.799 -2.628 8.073 1.00 0.00 C ATOM 1388 CG GLU A 91 -13.278 -1.224 8.332 1.00 0.00 C ATOM 1389 CD GLU A 91 -12.894 -0.500 7.056 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -13.745 -0.410 6.146 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -11.743 -0.024 6.967 1.00 0.00 O ATOM 0 H GLU A 91 -13.910 -5.089 7.862 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.721 -3.363 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.258 -3.058 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.848 -2.570 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.041 -0.648 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.411 -1.278 8.990 1.00 0.00 H new ATOM 1398 N GLN A 92 -16.024 -3.624 9.845 1.00 0.00 N ATOM 1399 CA GLN A 92 -17.196 -3.426 10.690 1.00 0.00 C ATOM 1400 C GLN A 92 -17.534 -4.698 11.460 1.00 0.00 C ATOM 1401 O GLN A 92 -17.677 -4.677 12.682 1.00 0.00 O ATOM 1402 CB GLN A 92 -18.395 -2.995 9.842 1.00 0.00 C ATOM 1403 CG GLN A 92 -18.821 -4.034 8.818 1.00 0.00 C ATOM 1404 CD GLN A 92 -19.711 -3.456 7.736 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -20.772 -4.001 7.432 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -19.283 -2.345 7.147 1.00 0.00 N ATOM 0 H GLN A 92 -16.227 -4.022 8.928 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.966 -2.639 11.408 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -19.237 -2.780 10.501 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -18.149 -2.067 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.934 -4.471 8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -19.349 -4.842 9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.397 -1.926 7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -19.840 -1.910 6.412 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.662 -5.805 10.736 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.985 -7.087 11.351 1.00 0.00 C ATOM 1417 C PHE A 93 -16.905 -7.500 12.347 1.00 0.00 C ATOM 1418 O PHE A 93 -17.187 -7.737 13.521 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.143 -8.166 10.278 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.281 -7.908 9.332 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -20.564 -8.330 9.640 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -19.067 -7.244 8.135 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -21.613 -8.094 8.770 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -20.111 -7.006 7.262 1.00 0.00 C ATOM 1425 CZ PHE A 93 -21.386 -7.430 7.581 1.00 0.00 C ATOM 0 H PHE A 93 -17.547 -5.840 9.723 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.927 -6.977 11.888 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.217 -8.239 9.708 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -18.296 -9.130 10.763 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -20.747 -8.849 10.569 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -18.072 -6.908 7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -22.609 -8.429 9.021 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -19.930 -6.489 6.331 1.00 0.00 H new ATOM 0 HZ PHE A 93 -22.204 -7.242 6.901 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.667 -7.584 11.869 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.564 -7.968 12.730 1.00 0.00 C ATOM 1437 C GLY A 94 -13.827 -9.190 12.217 1.00 0.00 C ATOM 1438 O GLY A 94 -14.425 -10.066 11.595 1.00 0.00 O ATOM 0 H GLY A 94 -15.409 -7.393 10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.866 -7.135 12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.942 -8.170 13.732 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.525 -9.246 12.478 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.706 -10.369 12.036 1.00 0.00 C ATOM 1444 C GLU A 95 -12.349 -11.698 12.423 1.00 0.00 C ATOM 1445 O GLU A 95 -12.472 -12.603 11.599 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.303 -10.274 12.639 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.225 -10.906 11.775 1.00 0.00 C ATOM 1448 CD GLU A 95 -8.038 -11.391 12.584 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -8.250 -12.165 13.542 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -6.898 -10.998 12.260 1.00 0.00 O ATOM 0 H GLU A 95 -12.015 -8.528 12.993 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.631 -10.325 10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.057 -9.225 12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.303 -10.757 13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.651 -11.744 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.884 -10.180 11.037 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.758 -11.805 13.684 1.00 0.00 N ATOM 1458 CA GLU A 96 -13.387 -13.024 14.180 1.00 0.00 C ATOM 1459 C GLU A 96 -14.673 -13.323 13.414 1.00 0.00 C ATOM 1460 O GLU A 96 -15.028 -14.483 13.207 1.00 0.00 O ATOM 1461 CB GLU A 96 -13.689 -12.895 15.675 1.00 0.00 C ATOM 1462 CG GLU A 96 -14.672 -11.784 16.004 1.00 0.00 C ATOM 1463 CD GLU A 96 -14.532 -11.284 17.429 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -13.388 -11.217 17.925 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -15.568 -10.960 18.047 1.00 0.00 O ATOM 0 H GLU A 96 -12.665 -11.064 14.379 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.693 -13.850 14.026 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.088 -13.842 16.039 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.757 -12.715 16.211 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.520 -10.953 15.315 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.688 -12.145 15.848 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.365 -12.269 12.997 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.612 -12.418 12.255 1.00 0.00 C ATOM 1474 C ASN A 97 -16.342 -12.875 10.825 1.00 0.00 C ATOM 1475 O ASN A 97 -17.150 -13.586 10.226 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.384 -11.097 12.243 1.00 0.00 C ATOM 1477 CG ASN A 97 -18.232 -10.911 13.486 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -19.459 -11.009 13.434 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -17.582 -10.642 14.612 1.00 0.00 N ATOM 0 H ASN A 97 -15.084 -11.302 13.160 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.214 -13.178 12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.680 -10.269 12.160 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.024 -11.061 11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.100 -10.507 15.480 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.565 -10.570 14.609 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.200 -12.464 10.283 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.823 -12.832 8.924 1.00 0.00 C ATOM 1488 C VAL A 98 -14.559 -14.330 8.814 1.00 0.00 C ATOM 1489 O VAL A 98 -14.346 -14.854 7.722 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.568 -12.066 8.463 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.076 -12.602 7.127 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.858 -10.575 8.374 1.00 0.00 C ATOM 0 H VAL A 98 -14.520 -11.876 10.765 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.660 -12.565 8.279 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.780 -12.217 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.189 -12.049 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.828 -13.659 7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.858 -12.483 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.961 -10.049 8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.661 -10.403 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -14.160 -10.204 9.353 1.00 0.00 H new ATOM 1502 N ASN A 99 -14.576 -15.013 9.954 1.00 0.00 N ATOM 1503 CA ASN A 99 -14.338 -16.452 9.985 1.00 0.00 C ATOM 1504 C ASN A 99 -15.548 -17.215 9.453 1.00 0.00 C ATOM 1505 O ASN A 99 -15.454 -17.935 8.459 1.00 0.00 O ATOM 1506 CB ASN A 99 -14.022 -16.906 11.412 1.00 0.00 C ATOM 1507 CG ASN A 99 -13.103 -18.112 11.444 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -11.960 -18.048 10.992 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -13.601 -19.221 11.981 1.00 0.00 N ATOM 0 H ASN A 99 -14.752 -14.594 10.867 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.484 -16.668 9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.558 -16.084 11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.951 -17.147 11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.030 -20.065 12.031 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.554 -19.228 12.344 1.00 0.00 H new ATOM 1516 N THR A 100 -16.685 -17.051 10.122 1.00 0.00 N ATOM 1517 CA THR A 100 -17.913 -17.724 9.718 1.00 0.00 C ATOM 1518 C THR A 100 -18.295 -17.358 8.288 1.00 0.00 C ATOM 1519 O THR A 100 -18.792 -18.196 7.535 1.00 0.00 O ATOM 1520 CB THR A 100 -19.082 -17.371 10.656 1.00 0.00 C ATOM 1521 OG1 THR A 100 -20.291 -17.974 10.182 1.00 0.00 O ATOM 1522 CG2 THR A 100 -19.265 -15.863 10.749 1.00 0.00 C ATOM 0 H THR A 100 -16.781 -16.458 10.946 1.00 0.00 H new ATOM 0 HA THR A 100 -17.721 -18.795 9.777 1.00 0.00 H new ATOM 0 HB THR A 100 -18.850 -17.756 11.649 1.00 0.00 H new ATOM 0 HG1 THR A 100 -21.029 -17.746 10.785 1.00 0.00 H new ATOM 0 HG21 THR A 100 -20.096 -15.638 11.417 1.00 0.00 H new ATOM 0 HG22 THR A 100 -18.354 -15.409 11.138 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.476 -15.460 9.758 1.00 0.00 H new ATOM 1530 N TYR A 101 -18.060 -16.104 7.921 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.382 -15.627 6.581 1.00 0.00 C ATOM 1532 C TYR A 101 -17.690 -16.477 5.520 1.00 0.00 C ATOM 1533 O TYR A 101 -18.334 -17.000 4.610 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.970 -14.162 6.426 1.00 0.00 C ATOM 1535 CG TYR A 101 -19.058 -13.183 6.807 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -20.207 -13.057 6.037 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -18.936 -12.384 7.937 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -21.203 -12.164 6.381 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -19.927 -11.489 8.289 1.00 0.00 C ATOM 1540 CZ TYR A 101 -21.059 -11.383 7.508 1.00 0.00 C ATOM 1541 OH TYR A 101 -22.048 -10.492 7.855 1.00 0.00 O ATOM 0 H TYR A 101 -17.648 -15.399 8.532 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.460 -15.711 6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -17.091 -13.973 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.678 -13.983 5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.324 -13.668 5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -18.051 -12.464 8.551 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -22.090 -12.078 5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -19.816 -10.875 9.171 1.00 0.00 H new ATOM 0 HH TYR A 101 -21.681 -9.583 7.863 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.374 -16.610 5.644 1.00 0.00 N ATOM 1552 CA PHE A 102 -15.593 -17.396 4.696 1.00 0.00 C ATOM 1553 C PHE A 102 -15.793 -18.890 4.933 1.00 0.00 C ATOM 1554 O PHE A 102 -16.264 -19.612 4.054 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.108 -17.045 4.811 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.728 -15.797 4.066 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.396 -14.605 4.298 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.703 -15.816 3.134 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -14.049 -13.455 3.615 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.351 -14.668 2.448 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.026 -13.487 2.688 1.00 0.00 C ATOM 0 H PHE A 102 -15.826 -16.184 6.391 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.940 -17.155 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.852 -16.923 5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.515 -17.879 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.197 -14.575 5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.173 -16.737 2.941 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.577 -12.532 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.549 -14.695 1.725 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.754 -12.590 2.151 1.00 0.00 H new ATOM 1571 N VAL A 103 -15.430 -19.348 6.127 1.00 0.00 N ATOM 1572 CA VAL A 103 -15.569 -20.755 6.481 1.00 0.00 C ATOM 1573 C VAL A 103 -16.800 -21.369 5.822 1.00 0.00 C ATOM 1574 O VAL A 103 -16.802 -22.545 5.461 1.00 0.00 O ATOM 1575 CB VAL A 103 -15.671 -20.943 8.007 1.00 0.00 C ATOM 1576 CG1 VAL A 103 -17.123 -20.883 8.457 1.00 0.00 C ATOM 1577 CG2 VAL A 103 -15.028 -22.256 8.425 1.00 0.00 C ATOM 0 H VAL A 103 -15.037 -18.764 6.866 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.675 -21.262 6.118 1.00 0.00 H new ATOM 0 HB VAL A 103 -15.132 -20.130 8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -17.175 -21.018 9.537 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.547 -19.914 8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -17.689 -21.674 7.965 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.109 -22.373 9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -15.537 -23.084 7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -13.976 -22.254 8.138 1.00 0.00 H new ATOM 1587 N SER A 104 -17.845 -20.562 5.667 1.00 0.00 N ATOM 1588 CA SER A 104 -19.084 -21.027 5.054 1.00 0.00 C ATOM 1589 C SER A 104 -19.144 -20.628 3.582 1.00 0.00 C ATOM 1590 O SER A 104 -19.527 -19.508 3.246 1.00 0.00 O ATOM 1591 CB SER A 104 -20.292 -20.455 5.799 1.00 0.00 C ATOM 1592 OG SER A 104 -20.487 -21.115 7.037 1.00 0.00 O ATOM 0 H SER A 104 -17.858 -19.584 5.957 1.00 0.00 H new ATOM 0 HA SER A 104 -19.108 -22.115 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 104 -20.146 -19.389 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 104 -21.185 -20.559 5.183 1.00 0.00 H new ATOM 0 HG SER A 104 -21.264 -20.730 7.494 1.00 0.00 H new ATOM 1598 N GLY A 105 -18.763 -21.555 2.708 1.00 0.00 N ATOM 1599 CA GLY A 105 -18.781 -21.282 1.283 1.00 0.00 C ATOM 1600 C GLY A 105 -19.029 -22.529 0.457 1.00 0.00 C ATOM 1601 O GLY A 105 -19.571 -23.522 0.942 1.00 0.00 O ATOM 0 H GLY A 105 -18.442 -22.490 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -19.556 -20.547 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.830 -20.838 0.989 1.00 0.00 H new ATOM 1605 N PRO A 106 -18.627 -22.485 -0.822 1.00 0.00 N ATOM 1606 CA PRO A 106 -18.800 -23.612 -1.744 1.00 0.00 C ATOM 1607 C PRO A 106 -17.894 -24.789 -1.397 1.00 0.00 C ATOM 1608 O PRO A 106 -17.888 -25.805 -2.092 1.00 0.00 O ATOM 1609 CB PRO A 106 -18.412 -23.021 -3.102 1.00 0.00 C ATOM 1610 CG PRO A 106 -17.493 -21.894 -2.776 1.00 0.00 C ATOM 1611 CD PRO A 106 -17.973 -21.334 -1.466 1.00 0.00 C ATOM 0 HA PRO A 106 -19.813 -24.014 -1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -17.921 -23.763 -3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -19.289 -22.672 -3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.463 -22.241 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -17.515 -21.134 -3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -17.147 -20.953 -0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -18.668 -20.507 -1.613 1.00 0.00 H new ATOM 1619 N SER A 107 -17.131 -24.645 -0.318 1.00 0.00 N ATOM 1620 CA SER A 107 -16.220 -25.696 0.119 1.00 0.00 C ATOM 1621 C SER A 107 -16.818 -26.487 1.278 1.00 0.00 C ATOM 1622 O SER A 107 -17.746 -26.028 1.943 1.00 0.00 O ATOM 1623 CB SER A 107 -14.877 -25.093 0.537 1.00 0.00 C ATOM 1624 OG SER A 107 -14.148 -24.639 -0.591 1.00 0.00 O ATOM 0 H SER A 107 -17.126 -23.811 0.269 1.00 0.00 H new ATOM 0 HA SER A 107 -16.061 -26.376 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 107 -15.045 -24.263 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 107 -14.292 -25.838 1.076 1.00 0.00 H new ATOM 0 HG SER A 107 -13.295 -24.257 -0.297 1.00 0.00 H new ATOM 1630 N SER A 108 -16.279 -27.679 1.513 1.00 0.00 N ATOM 1631 CA SER A 108 -16.761 -28.537 2.589 1.00 0.00 C ATOM 1632 C SER A 108 -15.698 -29.555 2.990 1.00 0.00 C ATOM 1633 O SER A 108 -14.863 -29.950 2.177 1.00 0.00 O ATOM 1634 CB SER A 108 -18.039 -29.259 2.160 1.00 0.00 C ATOM 1635 OG SER A 108 -18.376 -30.287 3.075 1.00 0.00 O ATOM 0 H SER A 108 -15.508 -28.072 0.973 1.00 0.00 H new ATOM 0 HA SER A 108 -16.980 -27.908 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 108 -18.859 -28.544 2.093 1.00 0.00 H new ATOM 0 HB3 SER A 108 -17.904 -29.683 1.165 1.00 0.00 H new ATOM 0 HG SER A 108 -19.197 -30.732 2.779 1.00 0.00 H new ATOM 1641 N GLY A 109 -15.735 -29.976 4.251 1.00 0.00 N ATOM 1642 CA GLY A 109 -14.770 -30.944 4.739 1.00 0.00 C ATOM 1643 C GLY A 109 -13.379 -30.704 4.188 1.00 0.00 C ATOM 1644 O GLY A 109 -12.410 -30.629 4.944 1.00 0.00 O ATOM 0 H GLY A 109 -16.416 -29.664 4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.738 -30.903 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.097 -31.947 4.467 1.00 0.00 H new TER 1648 GLY A 109