USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= 1.82 K(o=1.3,f=-9.8!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.546 USER MOD Set 2.1: A 69 GLN : amide:sc= -1.74! K(o=-1.6!,f=0.63) USER MOD Set 2.2: A 76 TYR OH : rot 150:sc= 0.169 USER MOD Set 3.1: A 37 HIS : no HD1:sc= -1.51 K(o=-5,f=-3.8) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -3.49! C(o=-5!,f=-7!) USER MOD Set 4.1: A 18 ASN : amide:sc= 0.0785 K(o=2.1,f=-1.3!) USER MOD Set 4.2: A 32 ASN : amide:sc= 2.03 K(o=2.1,f=-2.1) USER MOD Set 5.1: A 25 THR OG1 : rot 180:sc= 0.817 USER MOD Set 5.2: A 27 GLN : amide:sc= 1.06 K(o=1.9,f=0.92) USER MOD Set 6.1: A 16 ASN : amide:sc= 0.408 K(o=0.97,f=2.1) USER MOD Set 6.2: A 66 TYR OH : rot -126:sc= 0.563 USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0968 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.000411 X(o=-0.00041,f=0) USER MOD Single : A 4 MET CE :methyl -166:sc= -0.0861 (180deg=-0.375) USER MOD Single : A 7 SER OG : rot 180:sc= -0.609 USER MOD Single : A 8 MET CE :methyl 174:sc= -0.436 (180deg=-0.487) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc=-0.00428 X(o=-0.0043,f=0) USER MOD Single : A 22 THR OG1 : rot 42:sc= 0.108 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.67) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 34 SER OG : rot 52:sc= 0.864 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 84:sc= 0.15 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.17) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 85:sc= 1.06 USER MOD Single : A 55 HIS : no HD1:sc= -0.0099 X(o=-0.0099,f=-0.13) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 99:sc= 0.0389 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.867 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc=-0.00253 (180deg=-0.121) USER MOD Single : A 93 SER OG : rot -150:sc= -0.0325 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -166:sc= -0.0936 (180deg=-0.226) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= -0.422 (180deg=-1.67!) USER MOD Single : A 102 HIS : no HD1:sc=-0.000609 X(o=-0.00061,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.622 -19.287 -10.821 1.00 0.00 N ATOM 2 CA GLY A 1 -25.519 -19.067 -9.700 1.00 0.00 C ATOM 3 C GLY A 1 -24.747 -18.932 -8.421 1.00 0.00 C ATOM 4 O GLY A 1 -23.616 -19.429 -8.339 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.012 -20.028 -11.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.519 -18.405 -11.362 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.691 -19.586 -10.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.109 -18.166 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.221 -19.897 -9.621 1.00 0.00 H new ATOM 10 N ALA A 2 -25.357 -18.285 -7.423 1.00 0.00 N ATOM 11 CA ALA A 2 -24.753 -18.045 -6.109 1.00 0.00 C ATOM 12 C ALA A 2 -23.422 -17.324 -6.235 1.00 0.00 C ATOM 13 O ALA A 2 -22.352 -17.873 -5.933 1.00 0.00 O ATOM 14 CB ALA A 2 -24.617 -19.329 -5.289 1.00 0.00 C ATOM 0 H ALA A 2 -26.301 -17.907 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 2 -25.435 -17.393 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.165 -19.099 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -25.603 -19.767 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -23.987 -20.038 -5.825 1.00 0.00 H new ATOM 20 N HIS A 3 -23.482 -16.123 -6.730 1.00 0.00 N ATOM 21 CA HIS A 3 -22.303 -15.333 -6.927 1.00 0.00 C ATOM 22 C HIS A 3 -21.902 -14.680 -5.627 1.00 0.00 C ATOM 23 O HIS A 3 -22.503 -13.692 -5.199 1.00 0.00 O ATOM 24 CB HIS A 3 -22.522 -14.286 -8.036 1.00 0.00 C ATOM 25 CG HIS A 3 -21.319 -13.448 -8.370 1.00 0.00 C ATOM 26 ND1 HIS A 3 -20.469 -13.735 -9.408 1.00 0.00 N ATOM 27 CD2 HIS A 3 -20.846 -12.314 -7.808 1.00 0.00 C ATOM 28 CE1 HIS A 3 -19.525 -12.818 -9.468 1.00 0.00 C ATOM 29 NE2 HIS A 3 -19.734 -11.945 -8.510 1.00 0.00 N ATOM 0 H HIS A 3 -24.349 -15.664 -7.008 1.00 0.00 H new ATOM 0 HA HIS A 3 -21.491 -15.984 -7.251 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.849 -14.800 -8.940 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -23.334 -13.624 -7.734 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -21.269 -11.795 -6.960 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -18.717 -12.789 -10.184 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -19.159 -11.124 -8.321 1.00 0.00 H new ATOM 38 N MET A 4 -20.927 -15.252 -4.986 1.00 0.00 N ATOM 39 CA MET A 4 -20.411 -14.696 -3.771 1.00 0.00 C ATOM 40 C MET A 4 -19.252 -13.817 -4.113 1.00 0.00 C ATOM 41 O MET A 4 -18.189 -14.299 -4.508 1.00 0.00 O ATOM 42 CB MET A 4 -19.989 -15.783 -2.774 1.00 0.00 C ATOM 43 CG MET A 4 -21.133 -16.657 -2.286 1.00 0.00 C ATOM 44 SD MET A 4 -22.456 -15.708 -1.497 1.00 0.00 S ATOM 45 CE MET A 4 -21.582 -14.935 -0.131 1.00 0.00 C ATOM 0 H MET A 4 -20.469 -16.112 -5.288 1.00 0.00 H new ATOM 0 HA MET A 4 -21.197 -14.117 -3.285 1.00 0.00 H new ATOM 0 HB2 MET A 4 -19.236 -16.417 -3.242 1.00 0.00 H new ATOM 0 HB3 MET A 4 -19.517 -15.308 -1.914 1.00 0.00 H new ATOM 0 HG2 MET A 4 -21.544 -17.213 -3.129 1.00 0.00 H new ATOM 0 HG3 MET A 4 -20.747 -17.391 -1.578 1.00 0.00 H new ATOM 0 HE1 MET A 4 -22.303 -14.528 0.578 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.960 -15.677 0.369 1.00 0.00 H new ATOM 0 HE3 MET A 4 -20.952 -14.130 -0.511 1.00 0.00 H new ATOM 55 N GLY A 5 -19.475 -12.547 -4.051 1.00 0.00 N ATOM 56 CA GLY A 5 -18.457 -11.606 -4.358 1.00 0.00 C ATOM 57 C GLY A 5 -18.532 -10.429 -3.452 1.00 0.00 C ATOM 58 O GLY A 5 -18.302 -10.559 -2.245 1.00 0.00 O ATOM 0 H GLY A 5 -20.369 -12.134 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.479 -12.079 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -18.558 -11.280 -5.393 1.00 0.00 H new ATOM 62 N GLY A 6 -18.908 -9.305 -4.000 1.00 0.00 N ATOM 63 CA GLY A 6 -18.965 -8.120 -3.242 1.00 0.00 C ATOM 64 C GLY A 6 -17.650 -7.453 -3.317 1.00 0.00 C ATOM 65 O GLY A 6 -16.779 -7.697 -2.491 1.00 0.00 O ATOM 0 H GLY A 6 -19.178 -9.202 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.746 -7.463 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.217 -8.345 -2.206 1.00 0.00 H new ATOM 69 N SER A 7 -17.459 -6.668 -4.339 1.00 0.00 N ATOM 70 CA SER A 7 -16.205 -5.992 -4.507 1.00 0.00 C ATOM 71 C SER A 7 -16.026 -4.929 -3.420 1.00 0.00 C ATOM 72 O SER A 7 -16.934 -4.125 -3.132 1.00 0.00 O ATOM 73 CB SER A 7 -16.090 -5.416 -5.914 1.00 0.00 C ATOM 74 OG SER A 7 -16.322 -6.415 -6.913 1.00 0.00 O ATOM 0 H SER A 7 -18.151 -6.481 -5.064 1.00 0.00 H new ATOM 0 HA SER A 7 -15.392 -6.709 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.808 -4.605 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.098 -4.986 -6.052 1.00 0.00 H new ATOM 0 HG SER A 7 -16.243 -6.012 -7.803 1.00 0.00 H new ATOM 80 N MET A 8 -14.857 -4.932 -2.846 1.00 0.00 N ATOM 81 CA MET A 8 -14.572 -4.158 -1.682 1.00 0.00 C ATOM 82 C MET A 8 -13.555 -3.128 -1.964 1.00 0.00 C ATOM 83 O MET A 8 -12.609 -3.385 -2.691 1.00 0.00 O ATOM 84 CB MET A 8 -14.014 -5.028 -0.588 1.00 0.00 C ATOM 85 CG MET A 8 -14.655 -6.349 -0.325 1.00 0.00 C ATOM 86 SD MET A 8 -16.235 -6.338 0.497 1.00 0.00 S ATOM 87 CE MET A 8 -16.368 -8.122 0.724 1.00 0.00 C ATOM 0 H MET A 8 -14.066 -5.482 -3.182 1.00 0.00 H new ATOM 0 HA MET A 8 -15.511 -3.697 -1.376 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.963 -5.210 -0.814 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.046 -4.455 0.339 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.774 -6.863 -1.279 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.967 -6.945 0.274 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.249 -8.348 1.324 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.457 -8.607 -0.248 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.478 -8.491 1.233 1.00 0.00 H new ATOM 97 N LYS A 9 -13.734 -1.964 -1.412 1.00 0.00 N ATOM 98 CA LYS A 9 -12.741 -0.934 -1.525 1.00 0.00 C ATOM 99 C LYS A 9 -11.905 -0.972 -0.243 1.00 0.00 C ATOM 100 O LYS A 9 -12.289 -0.436 0.804 1.00 0.00 O ATOM 101 CB LYS A 9 -13.383 0.434 -1.762 1.00 0.00 C ATOM 102 CG LYS A 9 -12.428 1.518 -2.144 1.00 0.00 C ATOM 103 CD LYS A 9 -13.166 2.817 -2.348 1.00 0.00 C ATOM 104 CE LYS A 9 -12.306 3.793 -3.085 1.00 0.00 C ATOM 105 NZ LYS A 9 -12.939 5.117 -3.219 1.00 0.00 N ATOM 0 H LYS A 9 -14.562 -1.702 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.099 -1.106 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.133 0.336 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.908 0.735 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.674 1.638 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.902 1.243 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.085 2.637 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.456 3.234 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.355 3.900 -2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.083 3.399 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.302 5.755 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.834 5.023 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.128 5.508 -2.274 1.00 0.00 H new ATOM 119 N ILE A 10 -10.802 -1.651 -0.344 1.00 0.00 N ATOM 120 CA ILE A 10 -9.940 -1.956 0.755 1.00 0.00 C ATOM 121 C ILE A 10 -8.690 -1.119 0.701 1.00 0.00 C ATOM 122 O ILE A 10 -8.138 -0.902 -0.373 1.00 0.00 O ATOM 123 CB ILE A 10 -9.571 -3.444 0.646 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.826 -4.277 0.829 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.471 -3.849 1.617 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.668 -5.709 0.469 1.00 0.00 C ATOM 0 H ILE A 10 -10.465 -2.022 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.443 -1.742 1.698 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.159 -3.627 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.144 -4.209 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.624 -3.848 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.251 -4.910 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.573 -3.267 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.800 -3.661 2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.611 -6.231 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.382 -5.791 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.895 -6.158 1.092 1.00 0.00 H new ATOM 138 N ARG A 11 -8.260 -0.628 1.843 1.00 0.00 N ATOM 139 CA ARG A 11 -7.007 0.041 1.942 1.00 0.00 C ATOM 140 C ARG A 11 -5.903 -0.915 1.777 1.00 0.00 C ATOM 141 O ARG A 11 -5.916 -2.004 2.336 1.00 0.00 O ATOM 142 CB ARG A 11 -6.833 0.673 3.298 1.00 0.00 C ATOM 143 CG ARG A 11 -7.538 1.990 3.454 1.00 0.00 C ATOM 144 CD ARG A 11 -7.252 2.556 4.819 1.00 0.00 C ATOM 145 NE ARG A 11 -7.547 1.576 5.867 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.044 1.595 7.094 1.00 0.00 C ATOM 147 NH1 ARG A 11 -6.294 2.621 7.490 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.287 0.580 7.923 1.00 0.00 N ATOM 0 H ARG A 11 -8.777 -0.688 2.720 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.993 0.802 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.200 -0.016 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.769 0.818 3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.205 2.686 2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.612 1.857 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.206 2.855 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.850 3.454 4.977 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.190 0.819 5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.106 3.393 6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.907 2.636 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.857 -0.207 7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.902 0.590 8.868 1.00 0.00 H new ATOM 162 N VAL A 12 -4.992 -0.558 1.004 1.00 0.00 N ATOM 163 CA VAL A 12 -3.869 -1.337 0.804 1.00 0.00 C ATOM 164 C VAL A 12 -2.673 -0.564 1.256 1.00 0.00 C ATOM 165 O VAL A 12 -2.485 0.545 0.752 1.00 0.00 O ATOM 166 CB VAL A 12 -3.701 -1.570 -0.723 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.480 -2.425 -0.981 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.936 -2.248 -1.289 1.00 0.00 C ATOM 0 H VAL A 12 -5.003 0.313 0.473 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.966 -2.278 1.345 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.573 -0.606 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.368 -2.585 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.594 -1.921 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.597 -3.387 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.806 -2.406 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.082 -3.209 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.808 -1.617 -1.119 1.00 0.00 H new ATOM 178 N GLU A 13 -1.893 -1.058 2.200 1.00 0.00 N ATOM 179 CA GLU A 13 -0.650 -0.398 2.412 1.00 0.00 C ATOM 180 C GLU A 13 0.287 -0.890 1.352 1.00 0.00 C ATOM 181 O GLU A 13 0.179 -2.022 0.915 1.00 0.00 O ATOM 182 CB GLU A 13 0.136 -0.564 3.739 1.00 0.00 C ATOM 183 CG GLU A 13 -0.459 0.199 4.917 1.00 0.00 C ATOM 184 CD GLU A 13 0.405 0.136 6.173 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.268 1.013 6.370 1.00 0.00 O ATOM 186 OE2 GLU A 13 0.228 -0.763 6.999 1.00 0.00 O ATOM 0 H GLU A 13 -2.092 -1.865 2.792 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.952 0.649 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.180 -1.623 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.162 -0.230 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.599 1.242 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.446 -0.205 5.142 1.00 0.00 H new ATOM 193 N LEU A 14 1.154 -0.059 0.932 1.00 0.00 N ATOM 194 CA LEU A 14 2.179 -0.429 -0.006 1.00 0.00 C ATOM 195 C LEU A 14 3.536 -0.283 0.611 1.00 0.00 C ATOM 196 O LEU A 14 3.831 0.732 1.235 1.00 0.00 O ATOM 197 CB LEU A 14 2.030 0.446 -1.280 1.00 0.00 C ATOM 198 CG LEU A 14 3.165 0.538 -2.363 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.254 1.519 -1.992 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.759 -0.809 -2.709 1.00 0.00 C ATOM 0 H LEU A 14 1.188 0.918 1.223 1.00 0.00 H new ATOM 0 HA LEU A 14 2.068 -1.477 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.132 0.103 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.835 1.464 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 14 2.670 0.918 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.009 1.539 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.824 2.514 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.715 1.213 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.537 -0.681 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.190 -1.257 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.978 -1.461 -3.101 1.00 0.00 H new ATOM 212 N ILE A 15 4.354 -1.294 0.467 1.00 0.00 N ATOM 213 CA ILE A 15 5.753 -1.144 0.792 1.00 0.00 C ATOM 214 C ILE A 15 6.503 -1.208 -0.527 1.00 0.00 C ATOM 215 O ILE A 15 6.391 -2.198 -1.251 1.00 0.00 O ATOM 216 CB ILE A 15 6.436 -2.239 1.723 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.031 -2.038 3.197 1.00 0.00 C ATOM 218 CG2 ILE A 15 7.959 -2.263 1.605 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.545 -2.103 3.470 1.00 0.00 C ATOM 0 H ILE A 15 4.083 -2.218 0.132 1.00 0.00 H new ATOM 0 HA ILE A 15 5.804 -0.214 1.359 1.00 0.00 H new ATOM 0 HB ILE A 15 6.070 -3.203 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.529 -2.797 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.404 -1.070 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.363 -3.031 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.241 -2.484 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.361 -1.291 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.363 -1.950 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.036 -1.326 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.163 -3.080 3.174 1.00 0.00 H new ATOM 231 N ASN A 16 7.255 -0.197 -0.833 1.00 0.00 N ATOM 232 CA ASN A 16 8.051 -0.194 -2.024 1.00 0.00 C ATOM 233 C ASN A 16 9.441 0.269 -1.691 1.00 0.00 C ATOM 234 O ASN A 16 9.859 1.382 -2.001 1.00 0.00 O ATOM 235 CB ASN A 16 7.414 0.592 -3.199 1.00 0.00 C ATOM 236 CG ASN A 16 8.269 0.677 -4.467 1.00 0.00 C ATOM 237 OD1 ASN A 16 8.290 -0.234 -5.298 1.00 0.00 O ATOM 238 ND2 ASN A 16 8.892 1.790 -4.668 1.00 0.00 N ATOM 0 H ASN A 16 7.336 0.648 -0.267 1.00 0.00 H new ATOM 0 HA ASN A 16 8.103 -1.217 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.462 0.126 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.193 1.604 -2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.418 1.932 -5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.858 2.528 -3.964 1.00 0.00 H new ATOM 245 N GLY A 17 10.101 -0.546 -0.937 1.00 0.00 N ATOM 246 CA GLY A 17 11.469 -0.295 -0.585 1.00 0.00 C ATOM 247 C GLY A 17 11.598 0.449 0.716 1.00 0.00 C ATOM 248 O GLY A 17 12.054 1.588 0.744 1.00 0.00 O ATOM 0 H GLY A 17 9.713 -1.404 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.003 -1.243 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.946 0.280 -1.378 1.00 0.00 H new ATOM 252 N ASN A 18 11.273 -0.205 1.807 1.00 0.00 N ATOM 253 CA ASN A 18 11.299 0.443 3.106 1.00 0.00 C ATOM 254 C ASN A 18 12.653 0.339 3.702 1.00 0.00 C ATOM 255 O ASN A 18 13.009 1.066 4.633 1.00 0.00 O ATOM 256 CB ASN A 18 10.259 -0.122 4.043 1.00 0.00 C ATOM 257 CG ASN A 18 8.870 0.437 3.814 1.00 0.00 C ATOM 258 OD1 ASN A 18 8.502 0.821 2.701 1.00 0.00 O ATOM 259 ND2 ASN A 18 8.089 0.478 4.853 1.00 0.00 N ATOM 0 H ASN A 18 10.987 -1.184 1.825 1.00 0.00 H new ATOM 0 HA ASN A 18 11.056 1.495 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.229 -1.206 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.559 0.082 5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.138 0.836 4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.427 0.152 5.758 1.00 0.00 H new ATOM 266 N GLU A 19 13.440 -0.546 3.124 1.00 0.00 N ATOM 267 CA GLU A 19 14.786 -0.759 3.525 1.00 0.00 C ATOM 268 C GLU A 19 15.663 0.379 3.053 1.00 0.00 C ATOM 269 O GLU A 19 16.789 0.572 3.506 1.00 0.00 O ATOM 270 CB GLU A 19 15.317 -2.110 3.035 1.00 0.00 C ATOM 271 CG GLU A 19 14.454 -3.338 3.357 1.00 0.00 C ATOM 272 CD GLU A 19 13.332 -3.568 2.361 1.00 0.00 C ATOM 273 OE1 GLU A 19 12.275 -2.916 2.447 1.00 0.00 O ATOM 274 OE2 GLU A 19 13.499 -4.405 1.455 1.00 0.00 O ATOM 0 H GLU A 19 13.142 -1.140 2.350 1.00 0.00 H new ATOM 0 HA GLU A 19 14.811 -0.784 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.444 -2.056 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.306 -2.265 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.091 -4.222 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.027 -3.221 4.353 1.00 0.00 H new ATOM 281 N HIS A 20 15.123 1.112 2.163 1.00 0.00 N ATOM 282 CA HIS A 20 15.774 2.282 1.579 1.00 0.00 C ATOM 283 C HIS A 20 14.999 3.554 1.865 1.00 0.00 C ATOM 284 O HIS A 20 15.527 4.653 1.707 1.00 0.00 O ATOM 285 CB HIS A 20 15.974 2.151 0.085 1.00 0.00 C ATOM 286 CG HIS A 20 16.921 1.073 -0.362 1.00 0.00 C ATOM 287 ND1 HIS A 20 16.968 0.600 -1.653 1.00 0.00 N ATOM 288 CD2 HIS A 20 17.858 0.386 0.318 1.00 0.00 C ATOM 289 CE1 HIS A 20 17.887 -0.333 -1.745 1.00 0.00 C ATOM 290 NE2 HIS A 20 18.444 -0.483 -0.561 1.00 0.00 N ATOM 0 H HIS A 20 14.190 0.936 1.789 1.00 0.00 H new ATOM 0 HA HIS A 20 16.754 2.340 2.053 1.00 0.00 H new ATOM 0 HB2 HIS A 20 15.004 1.969 -0.377 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.335 3.106 -0.298 1.00 0.00 H new ATOM 0 HD2 HIS A 20 18.102 0.500 1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.142 -0.883 -2.639 1.00 0.00 H new ATOM 0 HE2 HIS A 20 19.191 -1.140 -0.336 1.00 0.00 H new ATOM 299 N ARG A 21 13.711 3.393 2.222 1.00 0.00 N ATOM 300 CA ARG A 21 12.763 4.486 2.575 1.00 0.00 C ATOM 301 C ARG A 21 12.258 5.242 1.343 1.00 0.00 C ATOM 302 O ARG A 21 11.193 5.853 1.369 1.00 0.00 O ATOM 303 CB ARG A 21 13.361 5.450 3.597 1.00 0.00 C ATOM 304 CG ARG A 21 13.666 4.813 4.929 1.00 0.00 C ATOM 305 CD ARG A 21 14.338 5.781 5.877 1.00 0.00 C ATOM 306 NE ARG A 21 14.699 5.135 7.145 1.00 0.00 N ATOM 307 CZ ARG A 21 15.435 5.700 8.117 1.00 0.00 C ATOM 308 NH1 ARG A 21 15.855 6.959 7.999 1.00 0.00 N ATOM 309 NH2 ARG A 21 15.742 5.009 9.210 1.00 0.00 N ATOM 0 H ARG A 21 13.279 2.470 2.277 1.00 0.00 H new ATOM 0 HA ARG A 21 11.901 4.003 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.279 5.874 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.668 6.277 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.742 4.449 5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.310 3.947 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.234 6.188 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.671 6.621 6.073 1.00 0.00 H new ATOM 0 HE ARG A 21 14.365 4.184 7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.618 7.500 7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.413 7.382 8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.419 4.047 9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.301 5.441 9.946 1.00 0.00 H new ATOM 323 N THR A 22 13.029 5.163 0.277 1.00 0.00 N ATOM 324 CA THR A 22 12.755 5.792 -0.998 1.00 0.00 C ATOM 325 C THR A 22 12.538 7.299 -0.897 1.00 0.00 C ATOM 326 O THR A 22 11.411 7.801 -1.007 1.00 0.00 O ATOM 327 CB THR A 22 11.652 5.074 -1.829 1.00 0.00 C ATOM 328 OG1 THR A 22 10.430 4.915 -1.068 1.00 0.00 O ATOM 329 CG2 THR A 22 12.149 3.713 -2.259 1.00 0.00 C ATOM 0 H THR A 22 13.902 4.635 0.277 1.00 0.00 H new ATOM 0 HA THR A 22 13.673 5.664 -1.571 1.00 0.00 H new ATOM 0 HB THR A 22 11.434 5.691 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.246 5.738 -0.569 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.376 3.211 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 22 13.045 3.829 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.385 3.117 -1.378 1.00 0.00 H new ATOM 337 N SER A 23 13.640 7.996 -0.603 1.00 0.00 N ATOM 338 CA SER A 23 13.683 9.440 -0.485 1.00 0.00 C ATOM 339 C SER A 23 12.883 9.948 0.731 1.00 0.00 C ATOM 340 O SER A 23 12.281 9.171 1.482 1.00 0.00 O ATOM 341 CB SER A 23 13.191 10.087 -1.781 1.00 0.00 C ATOM 342 OG SER A 23 13.968 9.646 -2.895 1.00 0.00 O ATOM 0 H SER A 23 14.544 7.552 -0.438 1.00 0.00 H new ATOM 0 HA SER A 23 14.720 9.731 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.142 9.837 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.251 11.172 -1.697 1.00 0.00 H new ATOM 0 HG SER A 23 13.636 10.070 -3.714 1.00 0.00 H new ATOM 348 N SER A 24 12.903 11.236 0.931 1.00 0.00 N ATOM 349 CA SER A 24 12.172 11.859 2.007 1.00 0.00 C ATOM 350 C SER A 24 10.915 12.509 1.446 1.00 0.00 C ATOM 351 O SER A 24 10.306 13.386 2.060 1.00 0.00 O ATOM 352 CB SER A 24 13.067 12.877 2.654 1.00 0.00 C ATOM 353 OG SER A 24 14.305 12.269 3.026 1.00 0.00 O ATOM 0 H SER A 24 13.429 11.890 0.351 1.00 0.00 H new ATOM 0 HA SER A 24 11.870 11.125 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.250 13.703 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.579 13.296 3.534 1.00 0.00 H new ATOM 0 HG SER A 24 14.885 12.938 3.446 1.00 0.00 H new ATOM 359 N THR A 25 10.544 12.034 0.291 1.00 0.00 N ATOM 360 CA THR A 25 9.390 12.480 -0.428 1.00 0.00 C ATOM 361 C THR A 25 8.106 12.179 0.352 1.00 0.00 C ATOM 362 O THR A 25 8.055 11.202 1.116 1.00 0.00 O ATOM 363 CB THR A 25 9.378 11.821 -1.819 1.00 0.00 C ATOM 364 OG1 THR A 25 9.835 10.454 -1.701 1.00 0.00 O ATOM 365 CG2 THR A 25 10.286 12.577 -2.768 1.00 0.00 C ATOM 0 H THR A 25 11.058 11.297 -0.192 1.00 0.00 H new ATOM 0 HA THR A 25 9.435 13.562 -0.553 1.00 0.00 H new ATOM 0 HB THR A 25 8.362 11.841 -2.214 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.828 10.029 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.267 12.099 -3.748 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.940 13.607 -2.860 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.305 12.570 -2.380 1.00 0.00 H new ATOM 373 N PRO A 26 7.068 13.009 0.196 1.00 0.00 N ATOM 374 CA PRO A 26 5.848 12.867 0.952 1.00 0.00 C ATOM 375 C PRO A 26 4.954 11.725 0.480 1.00 0.00 C ATOM 376 O PRO A 26 4.177 11.861 -0.477 1.00 0.00 O ATOM 377 CB PRO A 26 5.140 14.207 0.795 1.00 0.00 C ATOM 378 CG PRO A 26 5.663 14.783 -0.479 1.00 0.00 C ATOM 379 CD PRO A 26 7.009 14.152 -0.734 1.00 0.00 C ATOM 0 HA PRO A 26 6.075 12.614 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.059 14.078 0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.350 14.864 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.980 14.578 -1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.754 15.866 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.104 13.825 -1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.819 14.857 -0.547 1.00 0.00 H new ATOM 387 N GLN A 27 5.125 10.584 1.101 1.00 0.00 N ATOM 388 CA GLN A 27 4.272 9.444 0.911 1.00 0.00 C ATOM 389 C GLN A 27 3.209 9.400 1.992 1.00 0.00 C ATOM 390 O GLN A 27 2.385 8.479 2.068 1.00 0.00 O ATOM 391 CB GLN A 27 5.061 8.174 0.888 1.00 0.00 C ATOM 392 CG GLN A 27 5.747 7.831 -0.437 1.00 0.00 C ATOM 393 CD GLN A 27 6.779 8.835 -0.924 1.00 0.00 C ATOM 394 OE1 GLN A 27 6.455 9.775 -1.658 1.00 0.00 O ATOM 395 NE2 GLN A 27 8.023 8.635 -0.558 1.00 0.00 N ATOM 0 H GLN A 27 5.880 10.422 1.768 1.00 0.00 H new ATOM 0 HA GLN A 27 3.781 9.543 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.824 8.230 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.396 7.352 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.232 6.860 -0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.981 7.724 -1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.256 7.849 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.757 9.266 -0.880 1.00 0.00 H new ATOM 404 N GLN A 28 3.236 10.454 2.743 1.00 0.00 N ATOM 405 CA GLN A 28 2.397 10.750 3.890 1.00 0.00 C ATOM 406 C GLN A 28 2.670 9.826 5.078 1.00 0.00 C ATOM 407 O GLN A 28 2.167 8.692 5.132 1.00 0.00 O ATOM 408 CB GLN A 28 0.914 10.797 3.534 1.00 0.00 C ATOM 409 CG GLN A 28 0.557 11.838 2.477 1.00 0.00 C ATOM 410 CD GLN A 28 1.085 13.222 2.809 1.00 0.00 C ATOM 411 OE1 GLN A 28 2.197 13.581 2.426 1.00 0.00 O ATOM 412 NE2 GLN A 28 0.323 14.001 3.521 1.00 0.00 N ATOM 0 H GLN A 28 3.902 11.206 2.564 1.00 0.00 H new ATOM 0 HA GLN A 28 2.675 11.754 4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.606 9.814 3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.341 11.003 4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.958 11.523 1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.527 11.884 2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.595 13.677 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.644 14.935 3.775 1.00 0.00 H new ATOM 421 N PRO A 29 3.465 10.304 6.057 1.00 0.00 N ATOM 422 CA PRO A 29 3.827 9.524 7.224 1.00 0.00 C ATOM 423 C PRO A 29 2.673 9.379 8.216 1.00 0.00 C ATOM 424 O PRO A 29 2.449 10.224 9.090 1.00 0.00 O ATOM 425 CB PRO A 29 5.001 10.289 7.841 1.00 0.00 C ATOM 426 CG PRO A 29 4.791 11.703 7.416 1.00 0.00 C ATOM 427 CD PRO A 29 4.069 11.653 6.094 1.00 0.00 C ATOM 0 HA PRO A 29 4.085 8.500 6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.007 10.198 8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.956 9.905 7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.205 12.247 8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.744 12.224 7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.309 12.431 6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.755 11.805 5.260 1.00 0.00 H new ATOM 435 N GLN A 30 1.889 8.371 7.991 1.00 0.00 N ATOM 436 CA GLN A 30 0.807 7.980 8.828 1.00 0.00 C ATOM 437 C GLN A 30 0.900 6.483 8.903 1.00 0.00 C ATOM 438 O GLN A 30 1.071 5.881 9.964 1.00 0.00 O ATOM 439 CB GLN A 30 -0.509 8.384 8.212 1.00 0.00 C ATOM 440 CG GLN A 30 -0.631 9.858 7.872 1.00 0.00 C ATOM 441 CD GLN A 30 -1.995 10.225 7.357 1.00 0.00 C ATOM 442 OE1 GLN A 30 -2.878 10.593 8.125 1.00 0.00 O ATOM 443 NE2 GLN A 30 -2.189 10.129 6.072 1.00 0.00 N ATOM 0 H GLN A 30 1.996 7.770 7.174 1.00 0.00 H new ATOM 0 HA GLN A 30 0.859 8.451 9.810 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.661 7.803 7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.312 8.117 8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.411 10.451 8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.117 10.117 7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.431 9.819 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.099 10.364 5.675 1.00 0.00 H new ATOM 452 N GLN A 31 0.824 5.916 7.745 1.00 0.00 N ATOM 453 CA GLN A 31 1.093 4.558 7.474 1.00 0.00 C ATOM 454 C GLN A 31 2.024 4.584 6.296 1.00 0.00 C ATOM 455 O GLN A 31 2.573 5.661 5.975 1.00 0.00 O ATOM 456 CB GLN A 31 -0.177 3.866 7.089 1.00 0.00 C ATOM 457 CG GLN A 31 -1.169 3.682 8.209 1.00 0.00 C ATOM 458 CD GLN A 31 -2.443 3.006 7.753 1.00 0.00 C ATOM 459 OE1 GLN A 31 -3.404 3.660 7.367 1.00 0.00 O ATOM 460 NE2 GLN A 31 -2.463 1.709 7.776 1.00 0.00 N ATOM 0 H GLN A 31 0.552 6.434 6.909 1.00 0.00 H new ATOM 0 HA GLN A 31 1.516 4.035 8.332 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.655 4.434 6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.071 2.887 6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.711 3.089 9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.412 4.654 8.638 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.647 1.192 8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.295 1.206 7.467 1.00 0.00 H new ATOM 469 N ASN A 32 2.210 3.484 5.648 1.00 0.00 N ATOM 470 CA ASN A 32 2.939 3.466 4.416 1.00 0.00 C ATOM 471 C ASN A 32 1.996 4.016 3.342 1.00 0.00 C ATOM 472 O ASN A 32 0.801 4.207 3.642 1.00 0.00 O ATOM 473 CB ASN A 32 3.367 2.031 4.075 1.00 0.00 C ATOM 474 CG ASN A 32 4.411 1.463 5.021 1.00 0.00 C ATOM 475 OD1 ASN A 32 5.613 1.628 4.813 1.00 0.00 O ATOM 476 ND2 ASN A 32 3.970 0.783 6.047 1.00 0.00 N ATOM 0 H ASN A 32 1.865 2.574 5.952 1.00 0.00 H new ATOM 0 HA ASN A 32 3.845 4.068 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.488 1.386 4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.761 2.011 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.629 0.369 6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.967 0.666 6.188 1.00 0.00 H new ATOM 483 N PRO A 33 2.476 4.371 2.127 1.00 0.00 N ATOM 484 CA PRO A 33 1.595 4.790 1.029 1.00 0.00 C ATOM 485 C PRO A 33 0.423 3.811 0.894 1.00 0.00 C ATOM 486 O PRO A 33 0.621 2.603 0.926 1.00 0.00 O ATOM 487 CB PRO A 33 2.509 4.707 -0.214 1.00 0.00 C ATOM 488 CG PRO A 33 3.817 4.158 0.271 1.00 0.00 C ATOM 489 CD PRO A 33 3.878 4.433 1.732 1.00 0.00 C ATOM 0 HA PRO A 33 1.163 5.780 1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.073 4.061 -0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.642 5.690 -0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.885 3.088 0.075 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.651 4.630 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.480 3.693 2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.316 5.409 1.943 1.00 0.00 H new ATOM 497 N SER A 34 -0.776 4.307 0.773 1.00 0.00 N ATOM 498 CA SER A 34 -1.920 3.435 0.763 1.00 0.00 C ATOM 499 C SER A 34 -2.912 3.885 -0.294 1.00 0.00 C ATOM 500 O SER A 34 -2.832 5.012 -0.799 1.00 0.00 O ATOM 501 CB SER A 34 -2.613 3.406 2.146 1.00 0.00 C ATOM 502 OG SER A 34 -1.705 3.150 3.220 1.00 0.00 O ATOM 0 H SER A 34 -0.988 5.301 0.681 1.00 0.00 H new ATOM 0 HA SER A 34 -1.571 2.429 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.110 4.361 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.388 2.639 2.142 1.00 0.00 H new ATOM 0 HG SER A 34 -0.955 3.779 3.171 1.00 0.00 H new ATOM 508 N VAL A 35 -3.822 3.012 -0.627 1.00 0.00 N ATOM 509 CA VAL A 35 -4.881 3.294 -1.552 1.00 0.00 C ATOM 510 C VAL A 35 -6.060 2.465 -1.182 1.00 0.00 C ATOM 511 O VAL A 35 -5.904 1.396 -0.627 1.00 0.00 O ATOM 512 CB VAL A 35 -4.477 3.018 -3.040 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.032 1.592 -3.261 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.604 3.333 -4.005 1.00 0.00 C ATOM 0 H VAL A 35 -3.847 2.063 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.114 4.357 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.638 3.684 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.763 1.453 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.167 1.379 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.844 0.913 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.278 3.127 -5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.469 2.714 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.875 4.385 -3.917 1.00 0.00 H new ATOM 524 N SER A 36 -7.214 2.961 -1.425 1.00 0.00 N ATOM 525 CA SER A 36 -8.371 2.208 -1.227 1.00 0.00 C ATOM 526 C SER A 36 -8.729 1.629 -2.608 1.00 0.00 C ATOM 527 O SER A 36 -9.148 2.352 -3.515 1.00 0.00 O ATOM 528 CB SER A 36 -9.419 3.068 -0.660 1.00 0.00 C ATOM 529 OG SER A 36 -8.895 3.872 0.397 1.00 0.00 O ATOM 0 H SER A 36 -7.373 3.908 -1.769 1.00 0.00 H new ATOM 0 HA SER A 36 -8.245 1.392 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.833 3.708 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.237 2.453 -0.285 1.00 0.00 H new ATOM 0 HG SER A 36 -9.607 4.439 0.761 1.00 0.00 H new ATOM 535 N HIS A 37 -8.514 0.352 -2.759 1.00 0.00 N ATOM 536 CA HIS A 37 -8.601 -0.299 -4.009 1.00 0.00 C ATOM 537 C HIS A 37 -9.773 -1.261 -4.022 1.00 0.00 C ATOM 538 O HIS A 37 -10.092 -1.870 -3.016 1.00 0.00 O ATOM 539 CB HIS A 37 -7.254 -1.008 -4.269 1.00 0.00 C ATOM 540 CG HIS A 37 -7.175 -1.772 -5.545 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.635 -1.283 -6.702 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.591 -2.996 -5.821 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.735 -2.184 -7.640 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.323 -3.245 -7.138 1.00 0.00 N ATOM 0 H HIS A 37 -8.268 -0.269 -1.988 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.783 0.417 -4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.461 -0.260 -4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.056 -1.691 -3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.060 -3.679 -5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.392 -2.075 -8.658 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.542 -4.104 -7.642 1.00 0.00 H new ATOM 553 N ILE A 38 -10.378 -1.370 -5.163 1.00 0.00 N ATOM 554 CA ILE A 38 -11.571 -2.196 -5.425 1.00 0.00 C ATOM 555 C ILE A 38 -11.015 -3.631 -5.680 1.00 0.00 C ATOM 556 O ILE A 38 -10.275 -3.871 -6.646 1.00 0.00 O ATOM 557 CB ILE A 38 -12.141 -1.696 -6.690 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.503 -0.191 -6.576 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.393 -2.528 -6.932 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.530 0.145 -5.496 1.00 0.00 C ATOM 0 H ILE A 38 -10.058 -0.871 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.310 -2.176 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.430 -1.786 -7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.591 0.373 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.885 0.149 -7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.869 -2.208 -7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.121 -3.581 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.087 -2.391 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.717 1.219 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.460 -0.385 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.146 -0.158 -4.522 1.00 0.00 H new ATOM 572 N PHE A 39 -11.295 -4.510 -4.810 1.00 0.00 N ATOM 573 CA PHE A 39 -10.894 -5.855 -4.955 1.00 0.00 C ATOM 574 C PHE A 39 -12.089 -6.725 -5.171 1.00 0.00 C ATOM 575 O PHE A 39 -13.149 -6.492 -4.596 1.00 0.00 O ATOM 576 CB PHE A 39 -10.142 -6.341 -3.761 1.00 0.00 C ATOM 577 CG PHE A 39 -8.774 -5.799 -3.588 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.688 -6.445 -4.145 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.564 -4.686 -2.831 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.415 -5.975 -3.952 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.300 -4.211 -2.619 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.217 -4.857 -3.184 1.00 0.00 C ATOM 0 H PHE A 39 -11.820 -4.318 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.232 -5.907 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.721 -6.101 -2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.076 -7.428 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.844 -7.332 -4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.407 -4.172 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.574 -6.482 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.148 -3.332 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.217 -4.482 -3.021 1.00 0.00 H new ATOM 592 N ASP A 40 -11.900 -7.703 -6.001 1.00 0.00 N ATOM 593 CA ASP A 40 -12.884 -8.673 -6.344 1.00 0.00 C ATOM 594 C ASP A 40 -12.200 -9.976 -6.611 1.00 0.00 C ATOM 595 O ASP A 40 -10.962 -10.024 -6.765 1.00 0.00 O ATOM 596 CB ASP A 40 -13.688 -8.271 -7.602 1.00 0.00 C ATOM 597 CG ASP A 40 -12.842 -7.997 -8.836 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.145 -8.896 -9.308 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.895 -6.869 -9.369 1.00 0.00 O ATOM 0 H ASP A 40 -11.011 -7.851 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.582 -8.751 -5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.397 -9.066 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.272 -7.380 -7.374 1.00 0.00 H new ATOM 604 N GLY A 41 -12.971 -10.995 -6.674 1.00 0.00 N ATOM 605 CA GLY A 41 -12.465 -12.308 -6.951 1.00 0.00 C ATOM 606 C GLY A 41 -12.656 -12.691 -8.381 1.00 0.00 C ATOM 607 O GLY A 41 -12.557 -13.866 -8.743 1.00 0.00 O ATOM 0 H GLY A 41 -13.981 -10.954 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.404 -12.347 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.968 -13.033 -6.311 1.00 0.00 H new ATOM 611 N GLU A 42 -12.885 -11.713 -9.198 1.00 0.00 N ATOM 612 CA GLU A 42 -13.156 -11.917 -10.564 1.00 0.00 C ATOM 613 C GLU A 42 -11.942 -11.618 -11.415 1.00 0.00 C ATOM 614 O GLU A 42 -11.743 -12.199 -12.485 1.00 0.00 O ATOM 615 CB GLU A 42 -14.359 -11.122 -10.934 1.00 0.00 C ATOM 616 CG GLU A 42 -15.636 -11.676 -10.360 1.00 0.00 C ATOM 617 CD GLU A 42 -15.948 -13.031 -10.939 1.00 0.00 C ATOM 618 OE1 GLU A 42 -16.533 -13.080 -12.040 1.00 0.00 O ATOM 619 OE2 GLU A 42 -15.589 -14.067 -10.333 1.00 0.00 O ATOM 0 H GLU A 42 -12.886 -10.733 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.380 -12.967 -10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.229 -10.096 -10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.442 -11.085 -12.020 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.548 -11.752 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.458 -10.991 -10.566 1.00 0.00 H new ATOM 626 N THR A 43 -11.152 -10.727 -10.929 1.00 0.00 N ATOM 627 CA THR A 43 -9.934 -10.376 -11.493 1.00 0.00 C ATOM 628 C THR A 43 -8.813 -11.091 -10.736 1.00 0.00 C ATOM 629 O THR A 43 -8.879 -11.220 -9.491 1.00 0.00 O ATOM 630 CB THR A 43 -9.788 -8.884 -11.332 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.895 -8.210 -11.944 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.472 -8.361 -11.839 1.00 0.00 C ATOM 0 H THR A 43 -11.367 -10.205 -10.079 1.00 0.00 H new ATOM 0 HA THR A 43 -9.883 -10.657 -12.545 1.00 0.00 H new ATOM 0 HB THR A 43 -9.795 -8.673 -10.263 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.650 -8.187 -11.319 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.429 -7.281 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.657 -8.833 -11.290 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.374 -8.589 -12.900 1.00 0.00 H new ATOM 640 N ALA A 44 -7.842 -11.608 -11.475 1.00 0.00 N ATOM 641 CA ALA A 44 -6.669 -12.222 -10.907 1.00 0.00 C ATOM 642 C ALA A 44 -5.970 -11.263 -9.976 1.00 0.00 C ATOM 643 O ALA A 44 -5.984 -10.031 -10.187 1.00 0.00 O ATOM 644 CB ALA A 44 -5.699 -12.666 -11.990 1.00 0.00 C ATOM 0 H ALA A 44 -7.854 -11.609 -12.495 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.996 -13.099 -10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.824 -13.125 -11.529 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.188 -13.390 -12.642 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.388 -11.802 -12.577 1.00 0.00 H new ATOM 650 N VAL A 45 -5.373 -11.820 -8.963 1.00 0.00 N ATOM 651 CA VAL A 45 -4.646 -11.084 -7.954 1.00 0.00 C ATOM 652 C VAL A 45 -3.611 -10.198 -8.605 1.00 0.00 C ATOM 653 O VAL A 45 -3.595 -8.994 -8.383 1.00 0.00 O ATOM 654 CB VAL A 45 -3.856 -12.014 -7.037 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.046 -11.185 -6.063 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.839 -12.874 -6.284 1.00 0.00 C ATOM 0 H VAL A 45 -5.375 -12.828 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.390 -10.519 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.178 -12.641 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.480 -11.845 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.357 -10.545 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.716 -10.567 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.298 -13.549 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.501 -12.239 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.429 -13.457 -6.991 1.00 0.00 H new ATOM 666 N LYS A 46 -2.772 -10.817 -9.427 1.00 0.00 N ATOM 667 CA LYS A 46 -1.655 -10.126 -10.104 1.00 0.00 C ATOM 668 C LYS A 46 -2.144 -8.940 -10.914 1.00 0.00 C ATOM 669 O LYS A 46 -1.463 -7.958 -11.053 1.00 0.00 O ATOM 670 CB LYS A 46 -0.861 -11.077 -11.011 1.00 0.00 C ATOM 671 CG LYS A 46 -1.700 -11.731 -12.099 1.00 0.00 C ATOM 672 CD LYS A 46 -0.863 -12.593 -13.010 1.00 0.00 C ATOM 673 CE LYS A 46 -1.733 -13.343 -14.002 1.00 0.00 C ATOM 674 NZ LYS A 46 -2.533 -12.443 -14.879 1.00 0.00 N ATOM 0 H LYS A 46 -2.837 -11.810 -9.650 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.992 -9.766 -9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.046 -10.524 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.408 -11.856 -10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.481 -12.338 -11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.199 -10.960 -12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.146 -11.972 -13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.287 -13.303 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.100 -13.977 -14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.408 -14.003 -13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.027 -13.009 -15.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.231 -11.929 -14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.901 -11.763 -15.347 1.00 0.00 H new ATOM 688 N ASP A 47 -3.334 -9.033 -11.414 1.00 0.00 N ATOM 689 CA ASP A 47 -3.904 -7.983 -12.192 1.00 0.00 C ATOM 690 C ASP A 47 -4.355 -6.844 -11.314 1.00 0.00 C ATOM 691 O ASP A 47 -4.227 -5.680 -11.688 1.00 0.00 O ATOM 692 CB ASP A 47 -5.012 -8.505 -13.075 1.00 0.00 C ATOM 693 CG ASP A 47 -4.501 -9.323 -14.240 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.282 -10.547 -14.096 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.300 -8.757 -15.335 1.00 0.00 O ATOM 0 H ASP A 47 -3.940 -9.844 -11.293 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.134 -7.586 -12.853 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.688 -9.116 -12.477 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.593 -7.665 -13.455 1.00 0.00 H new ATOM 700 N HIS A 48 -4.865 -7.177 -10.138 1.00 0.00 N ATOM 701 CA HIS A 48 -5.180 -6.183 -9.118 1.00 0.00 C ATOM 702 C HIS A 48 -3.864 -5.503 -8.706 1.00 0.00 C ATOM 703 O HIS A 48 -3.805 -4.292 -8.514 1.00 0.00 O ATOM 704 CB HIS A 48 -5.847 -6.817 -7.877 1.00 0.00 C ATOM 705 CG HIS A 48 -7.221 -7.390 -8.046 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.350 -6.631 -8.229 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.648 -8.670 -8.004 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.398 -7.406 -8.285 1.00 0.00 C ATOM 709 NE2 HIS A 48 -9.002 -8.645 -8.149 1.00 0.00 N ATOM 0 H HIS A 48 -5.072 -8.137 -9.863 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.888 -5.464 -9.530 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.194 -7.610 -7.513 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.893 -6.058 -7.096 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.032 -9.548 -7.879 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.419 -7.080 -8.421 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.611 -9.463 -8.151 1.00 0.00 H new ATOM 718 N ILE A 49 -2.837 -6.316 -8.610 1.00 0.00 N ATOM 719 CA ILE A 49 -1.505 -5.890 -8.262 1.00 0.00 C ATOM 720 C ILE A 49 -0.898 -4.998 -9.336 1.00 0.00 C ATOM 721 O ILE A 49 -0.334 -3.973 -9.002 1.00 0.00 O ATOM 722 CB ILE A 49 -0.613 -7.080 -7.862 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.189 -7.714 -6.599 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.840 -6.635 -7.629 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.339 -8.799 -6.038 1.00 0.00 C ATOM 0 H ILE A 49 -2.910 -7.320 -8.777 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.574 -5.265 -7.372 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.600 -7.809 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.323 -6.941 -5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.177 -8.116 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.444 -7.498 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.237 -6.196 -8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.870 -5.895 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.810 -9.204 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.225 -9.592 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.642 -8.398 -5.783 1.00 0.00 H new ATOM 737 N LYS A 50 -1.061 -5.341 -10.626 1.00 0.00 N ATOM 738 CA LYS A 50 -0.589 -4.462 -11.700 1.00 0.00 C ATOM 739 C LYS A 50 -1.220 -3.066 -11.593 1.00 0.00 C ATOM 740 O LYS A 50 -0.567 -2.054 -11.880 1.00 0.00 O ATOM 741 CB LYS A 50 -0.816 -5.068 -13.095 1.00 0.00 C ATOM 742 CG LYS A 50 -0.018 -6.318 -13.373 1.00 0.00 C ATOM 743 CD LYS A 50 -0.089 -6.710 -14.840 1.00 0.00 C ATOM 744 CE LYS A 50 0.766 -7.934 -15.111 1.00 0.00 C ATOM 745 NZ LYS A 50 0.788 -8.301 -16.539 1.00 0.00 N ATOM 0 H LYS A 50 -1.507 -6.202 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 50 0.488 -4.358 -11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.876 -5.296 -13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.568 -4.319 -13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.022 -6.158 -13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.395 -7.136 -12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.123 -6.914 -15.117 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.249 -5.880 -15.460 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.784 -7.744 -14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.387 -8.774 -14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.385 -9.142 -16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.179 -8.509 -16.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.174 -7.511 -17.095 1.00 0.00 H new ATOM 759 N VAL A 51 -2.470 -3.015 -11.149 1.00 0.00 N ATOM 760 CA VAL A 51 -3.163 -1.753 -10.924 1.00 0.00 C ATOM 761 C VAL A 51 -2.554 -1.019 -9.748 1.00 0.00 C ATOM 762 O VAL A 51 -2.165 0.139 -9.881 1.00 0.00 O ATOM 763 CB VAL A 51 -4.662 -1.911 -10.670 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.296 -0.567 -10.399 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.350 -2.620 -11.798 1.00 0.00 C ATOM 0 H VAL A 51 -3.029 -3.841 -10.936 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.043 -1.186 -11.847 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.784 -2.534 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.363 -0.698 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.833 -0.117 -9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.149 0.085 -11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.413 -2.711 -11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.219 -2.052 -12.719 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.919 -3.614 -11.920 1.00 0.00 H new ATOM 775 N LEU A 52 -2.483 -1.679 -8.614 1.00 0.00 N ATOM 776 CA LEU A 52 -1.898 -1.103 -7.413 1.00 0.00 C ATOM 777 C LEU A 52 -0.512 -0.588 -7.682 1.00 0.00 C ATOM 778 O LEU A 52 -0.214 0.546 -7.338 1.00 0.00 O ATOM 779 CB LEU A 52 -1.862 -2.160 -6.345 1.00 0.00 C ATOM 780 CG LEU A 52 -3.221 -2.581 -5.870 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.154 -3.954 -5.300 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.734 -1.604 -4.852 1.00 0.00 C ATOM 0 H LEU A 52 -2.828 -2.631 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.505 -0.259 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.334 -3.033 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.289 -1.787 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.911 -2.591 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.144 -4.254 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.809 -4.649 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.460 -3.966 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.721 -1.917 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.052 -1.571 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.802 -0.613 -5.301 1.00 0.00 H new ATOM 794 N LEU A 53 0.318 -1.402 -8.338 1.00 0.00 N ATOM 795 CA LEU A 53 1.653 -1.004 -8.687 1.00 0.00 C ATOM 796 C LEU A 53 1.611 0.257 -9.510 1.00 0.00 C ATOM 797 O LEU A 53 2.287 1.202 -9.199 1.00 0.00 O ATOM 798 CB LEU A 53 2.371 -2.124 -9.424 1.00 0.00 C ATOM 799 CG LEU A 53 2.570 -3.404 -8.640 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.273 -4.407 -9.493 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.344 -3.150 -7.364 1.00 0.00 C ATOM 0 H LEU A 53 0.071 -2.346 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 53 2.215 -0.800 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.809 -2.357 -10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.348 -1.758 -9.741 1.00 0.00 H new ATOM 0 HG LEU A 53 1.593 -3.796 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.416 -5.328 -8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.674 -4.614 -10.380 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.243 -4.012 -9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.471 -4.088 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.323 -2.737 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.797 -2.443 -6.741 1.00 0.00 H new ATOM 813 N THR A 54 0.761 0.278 -10.515 1.00 0.00 N ATOM 814 CA THR A 54 0.582 1.409 -11.321 1.00 0.00 C ATOM 815 C THR A 54 0.132 2.659 -10.561 1.00 0.00 C ATOM 816 O THR A 54 0.640 3.759 -10.790 1.00 0.00 O ATOM 817 CB THR A 54 -0.316 1.060 -12.516 1.00 0.00 C ATOM 818 OG1 THR A 54 0.296 0.092 -13.375 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.799 2.239 -13.277 1.00 0.00 C ATOM 0 H THR A 54 0.178 -0.517 -10.778 1.00 0.00 H new ATOM 0 HA THR A 54 1.562 1.694 -11.704 1.00 0.00 H new ATOM 0 HB THR A 54 -1.209 0.611 -12.081 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.121 -0.808 -13.030 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.426 1.906 -14.104 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.380 2.884 -12.618 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.054 2.794 -13.669 1.00 0.00 H new ATOM 827 N HIS A 55 -0.743 2.480 -9.614 1.00 0.00 N ATOM 828 CA HIS A 55 -1.209 3.564 -8.786 1.00 0.00 C ATOM 829 C HIS A 55 -0.126 4.042 -7.802 1.00 0.00 C ATOM 830 O HIS A 55 -0.087 5.206 -7.436 1.00 0.00 O ATOM 831 CB HIS A 55 -2.536 3.158 -8.116 1.00 0.00 C ATOM 832 CG HIS A 55 -3.112 4.190 -7.182 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.056 5.110 -7.560 1.00 0.00 N ATOM 834 CD2 HIS A 55 -2.850 4.440 -5.878 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.346 5.890 -6.539 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.625 5.503 -5.506 1.00 0.00 N ATOM 0 H HIS A 55 -1.158 1.575 -9.390 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.414 4.437 -9.405 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.269 2.943 -8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.379 2.233 -7.561 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.158 3.900 -5.249 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.053 6.706 -6.547 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.642 5.928 -4.579 1.00 0.00 H new ATOM 845 N PHE A 56 0.733 3.143 -7.400 1.00 0.00 N ATOM 846 CA PHE A 56 1.861 3.465 -6.546 1.00 0.00 C ATOM 847 C PHE A 56 3.101 3.852 -7.351 1.00 0.00 C ATOM 848 O PHE A 56 4.173 4.086 -6.799 1.00 0.00 O ATOM 849 CB PHE A 56 2.157 2.311 -5.631 1.00 0.00 C ATOM 850 CG PHE A 56 1.112 2.118 -4.589 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.813 3.147 -3.727 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.457 0.913 -4.452 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.125 2.988 -2.737 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.491 0.739 -3.469 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.780 1.782 -2.605 1.00 0.00 C ATOM 0 H PHE A 56 0.675 2.157 -7.654 1.00 0.00 H new ATOM 0 HA PHE A 56 1.588 4.335 -5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.248 1.399 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.120 2.475 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.323 4.093 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.690 0.098 -5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.349 3.803 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.006 -0.205 -3.372 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.518 1.651 -1.828 1.00 0.00 H new ATOM 865 N LYS A 57 2.920 3.894 -8.652 1.00 0.00 N ATOM 866 CA LYS A 57 3.940 4.298 -9.644 1.00 0.00 C ATOM 867 C LYS A 57 5.105 3.298 -9.740 1.00 0.00 C ATOM 868 O LYS A 57 6.250 3.661 -10.056 1.00 0.00 O ATOM 869 CB LYS A 57 4.438 5.732 -9.384 1.00 0.00 C ATOM 870 CG LYS A 57 3.387 6.859 -9.533 1.00 0.00 C ATOM 871 CD LYS A 57 3.066 7.260 -10.999 1.00 0.00 C ATOM 872 CE LYS A 57 2.410 6.151 -11.824 1.00 0.00 C ATOM 873 NZ LYS A 57 1.984 6.613 -13.153 1.00 0.00 N ATOM 0 H LYS A 57 2.031 3.642 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 57 3.450 4.288 -10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.845 5.775 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.261 5.938 -10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.464 6.542 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.742 7.741 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.408 8.129 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.990 7.565 -11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.111 5.325 -11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.546 5.764 -11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.546 5.824 -13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.294 7.384 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.810 6.958 -13.682 1.00 0.00 H new ATOM 887 N ILE A 58 4.782 2.055 -9.544 1.00 0.00 N ATOM 888 CA ILE A 58 5.686 0.974 -9.616 1.00 0.00 C ATOM 889 C ILE A 58 5.418 0.235 -10.922 1.00 0.00 C ATOM 890 O ILE A 58 4.253 0.098 -11.311 1.00 0.00 O ATOM 891 CB ILE A 58 5.410 0.019 -8.461 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.480 0.797 -7.171 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.420 -1.135 -8.454 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.061 0.004 -6.013 1.00 0.00 C ATOM 0 H ILE A 58 3.830 1.765 -9.319 1.00 0.00 H new ATOM 0 HA ILE A 58 6.715 1.330 -9.567 1.00 0.00 H new ATOM 0 HB ILE A 58 4.418 -0.418 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.501 1.147 -7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.848 1.681 -7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.203 -1.803 -7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.348 -1.687 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.428 -0.735 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.131 0.612 -5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.031 -0.324 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.709 -0.867 -5.914 1.00 0.00 H new ATOM 906 N PRO A 59 6.446 -0.192 -11.652 1.00 0.00 N ATOM 907 CA PRO A 59 6.265 -0.989 -12.854 1.00 0.00 C ATOM 908 C PRO A 59 5.574 -2.297 -12.550 1.00 0.00 C ATOM 909 O PRO A 59 5.907 -3.004 -11.578 1.00 0.00 O ATOM 910 CB PRO A 59 7.689 -1.255 -13.336 1.00 0.00 C ATOM 911 CG PRO A 59 8.533 -1.022 -12.148 1.00 0.00 C ATOM 912 CD PRO A 59 7.859 0.074 -11.392 1.00 0.00 C ATOM 0 HA PRO A 59 5.644 -0.480 -13.591 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.798 -2.274 -13.706 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.962 -0.588 -14.154 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.616 -1.924 -11.542 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.545 -0.737 -12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.091 0.036 -10.328 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.160 1.059 -11.749 1.00 0.00 H new ATOM 920 N VAL A 60 4.637 -2.629 -13.391 1.00 0.00 N ATOM 921 CA VAL A 60 3.875 -3.833 -13.290 1.00 0.00 C ATOM 922 C VAL A 60 4.720 -5.083 -13.434 1.00 0.00 C ATOM 923 O VAL A 60 4.246 -6.175 -13.235 1.00 0.00 O ATOM 924 CB VAL A 60 2.744 -3.863 -14.340 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.769 -2.738 -14.085 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.288 -3.778 -15.741 1.00 0.00 C ATOM 0 H VAL A 60 4.377 -2.049 -14.189 1.00 0.00 H new ATOM 0 HA VAL A 60 3.450 -3.831 -12.286 1.00 0.00 H new ATOM 0 HB VAL A 60 2.223 -4.816 -14.245 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.975 -2.768 -14.831 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.337 -2.850 -13.091 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.291 -1.783 -14.149 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.463 -3.802 -16.454 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.843 -2.848 -15.860 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.952 -4.623 -15.926 1.00 0.00 H new ATOM 936 N ASP A 61 5.975 -4.915 -13.818 1.00 0.00 N ATOM 937 CA ASP A 61 6.891 -6.042 -13.972 1.00 0.00 C ATOM 938 C ASP A 61 7.269 -6.608 -12.616 1.00 0.00 C ATOM 939 O ASP A 61 7.757 -7.722 -12.513 1.00 0.00 O ATOM 940 CB ASP A 61 8.156 -5.674 -14.760 1.00 0.00 C ATOM 941 CG ASP A 61 7.903 -5.361 -16.215 1.00 0.00 C ATOM 942 OD1 ASP A 61 7.587 -4.187 -16.542 1.00 0.00 O ATOM 943 OD2 ASP A 61 8.020 -6.272 -17.068 1.00 0.00 O ATOM 0 H ASP A 61 6.387 -4.007 -14.030 1.00 0.00 H new ATOM 0 HA ASP A 61 6.361 -6.800 -14.549 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.626 -4.811 -14.290 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.866 -6.499 -14.694 1.00 0.00 H new ATOM 948 N LYS A 62 7.019 -5.845 -11.575 1.00 0.00 N ATOM 949 CA LYS A 62 7.352 -6.255 -10.252 1.00 0.00 C ATOM 950 C LYS A 62 6.245 -7.052 -9.579 1.00 0.00 C ATOM 951 O LYS A 62 6.421 -7.556 -8.493 1.00 0.00 O ATOM 952 CB LYS A 62 7.755 -5.065 -9.455 1.00 0.00 C ATOM 953 CG LYS A 62 8.990 -4.451 -10.037 1.00 0.00 C ATOM 954 CD LYS A 62 9.616 -3.511 -9.100 1.00 0.00 C ATOM 955 CE LYS A 62 10.846 -2.898 -9.729 1.00 0.00 C ATOM 956 NZ LYS A 62 11.628 -2.078 -8.797 1.00 0.00 N ATOM 0 H LYS A 62 6.580 -4.926 -11.634 1.00 0.00 H new ATOM 0 HA LYS A 62 8.195 -6.943 -10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.946 -4.334 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.937 -5.355 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.701 -5.236 -10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.738 -3.931 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.907 -2.728 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.887 -4.028 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.479 -3.693 -10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.544 -2.283 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.457 -1.687 -9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.038 -1.299 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.945 -2.665 -7.999 1.00 0.00 H new ATOM 970 N VAL A 63 5.110 -7.161 -10.269 1.00 0.00 N ATOM 971 CA VAL A 63 3.882 -7.927 -9.876 1.00 0.00 C ATOM 972 C VAL A 63 4.242 -9.362 -9.433 1.00 0.00 C ATOM 973 O VAL A 63 3.568 -9.971 -8.609 1.00 0.00 O ATOM 974 CB VAL A 63 3.022 -7.936 -11.161 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.413 -8.953 -12.217 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.580 -8.069 -10.821 1.00 0.00 C ATOM 0 H VAL A 63 4.995 -6.699 -11.171 1.00 0.00 H new ATOM 0 HA VAL A 63 3.361 -7.481 -9.029 1.00 0.00 H new ATOM 0 HB VAL A 63 3.221 -6.971 -11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.741 -8.867 -13.071 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.437 -8.766 -12.540 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.342 -9.957 -11.799 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.989 -8.074 -11.737 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.418 -9.001 -10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.275 -7.230 -10.196 1.00 0.00 H new ATOM 986 N SER A 64 5.316 -9.844 -10.009 1.00 0.00 N ATOM 987 CA SER A 64 5.932 -11.104 -9.704 1.00 0.00 C ATOM 988 C SER A 64 6.300 -11.192 -8.216 1.00 0.00 C ATOM 989 O SER A 64 5.984 -12.175 -7.519 1.00 0.00 O ATOM 990 CB SER A 64 7.254 -11.133 -10.460 1.00 0.00 C ATOM 991 OG SER A 64 7.035 -10.881 -11.851 1.00 0.00 O ATOM 0 H SER A 64 5.808 -9.336 -10.744 1.00 0.00 H new ATOM 0 HA SER A 64 5.248 -11.912 -9.966 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.932 -10.384 -10.050 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.734 -12.103 -10.330 1.00 0.00 H new ATOM 0 HG SER A 64 7.231 -9.941 -12.048 1.00 0.00 H new ATOM 997 N SER A 65 6.928 -10.139 -7.744 1.00 0.00 N ATOM 998 CA SER A 65 7.498 -10.089 -6.448 1.00 0.00 C ATOM 999 C SER A 65 6.584 -9.392 -5.441 1.00 0.00 C ATOM 1000 O SER A 65 6.919 -9.295 -4.258 1.00 0.00 O ATOM 1001 CB SER A 65 8.842 -9.378 -6.510 1.00 0.00 C ATOM 1002 OG SER A 65 9.648 -9.875 -7.583 1.00 0.00 O ATOM 0 H SER A 65 7.051 -9.279 -8.278 1.00 0.00 H new ATOM 0 HA SER A 65 7.633 -11.115 -6.105 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.683 -8.307 -6.638 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.369 -9.511 -5.565 1.00 0.00 H new ATOM 0 HG SER A 65 10.504 -9.398 -7.598 1.00 0.00 H new ATOM 1008 N TYR A 66 5.422 -8.969 -5.887 1.00 0.00 N ATOM 1009 CA TYR A 66 4.515 -8.260 -5.035 1.00 0.00 C ATOM 1010 C TYR A 66 3.393 -9.134 -4.636 1.00 0.00 C ATOM 1011 O TYR A 66 2.913 -9.945 -5.427 1.00 0.00 O ATOM 1012 CB TYR A 66 4.001 -6.979 -5.666 1.00 0.00 C ATOM 1013 CG TYR A 66 4.900 -5.819 -5.421 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.785 -5.110 -4.255 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.876 -5.449 -6.318 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.596 -4.060 -3.974 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.715 -4.391 -6.051 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.565 -3.693 -4.867 1.00 0.00 C ATOM 1019 OH TYR A 66 7.407 -2.658 -4.559 1.00 0.00 O ATOM 0 H TYR A 66 5.089 -9.108 -6.841 1.00 0.00 H new ATOM 0 HA TYR A 66 5.073 -7.969 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.890 -7.127 -6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.010 -6.756 -5.270 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.028 -5.395 -3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.985 -5.996 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.477 -3.516 -3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.481 -4.109 -6.758 1.00 0.00 H new ATOM 0 HH TYR A 66 7.392 -1.998 -5.283 1.00 0.00 H new ATOM 1029 N ALA A 67 2.986 -8.995 -3.418 1.00 0.00 N ATOM 1030 CA ALA A 67 1.947 -9.792 -2.894 1.00 0.00 C ATOM 1031 C ALA A 67 1.215 -9.051 -1.816 1.00 0.00 C ATOM 1032 O ALA A 67 1.790 -8.195 -1.134 1.00 0.00 O ATOM 1033 CB ALA A 67 2.502 -11.095 -2.363 1.00 0.00 C ATOM 0 H ALA A 67 3.373 -8.318 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 67 1.242 -10.019 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.689 -11.700 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.993 -11.637 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.224 -10.888 -1.573 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.046 -9.348 -1.703 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.895 -8.785 -0.699 1.00 0.00 C ATOM 1041 C LEU A 68 -0.705 -9.571 0.576 1.00 0.00 C ATOM 1042 O LEU A 68 -0.838 -10.779 0.573 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.345 -8.920 -1.162 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.687 -8.251 -2.497 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.096 -8.609 -2.912 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.532 -6.737 -2.406 1.00 0.00 C ATOM 0 H LEU A 68 -0.522 -10.004 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.655 -7.735 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.585 -9.981 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.992 -8.501 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.990 -8.618 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.329 -8.128 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.179 -9.690 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.797 -8.267 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.781 -6.287 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.202 -6.348 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.502 -6.492 -2.147 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.366 -8.919 1.627 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.134 -9.591 2.882 1.00 0.00 C ATOM 1060 C GLN A 69 -1.221 -9.217 3.877 1.00 0.00 C ATOM 1061 O GLN A 69 -1.772 -8.110 3.822 1.00 0.00 O ATOM 1062 CB GLN A 69 1.249 -9.209 3.451 1.00 0.00 C ATOM 1063 CG GLN A 69 1.622 -9.945 4.729 1.00 0.00 C ATOM 1064 CD GLN A 69 2.857 -9.396 5.424 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.975 -9.815 5.171 1.00 0.00 O ATOM 1066 NE2 GLN A 69 2.654 -8.484 6.328 1.00 0.00 N ATOM 0 H GLN A 69 -0.238 -7.908 1.657 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.157 -10.667 2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.008 -9.409 2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.266 -8.136 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.780 -9.901 5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.787 -10.997 4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.707 -8.154 6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.441 -8.098 6.849 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.545 -10.146 4.745 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.476 -9.918 5.831 1.00 0.00 C ATOM 1077 C ASN A 70 -1.743 -9.139 6.925 1.00 0.00 C ATOM 1078 O ASN A 70 -0.607 -9.473 7.267 1.00 0.00 O ATOM 1079 CB ASN A 70 -2.967 -11.251 6.413 1.00 0.00 C ATOM 1080 CG ASN A 70 -3.974 -11.070 7.559 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.579 -10.897 8.705 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.251 -11.153 7.283 1.00 0.00 N ATOM 0 H ASN A 70 -1.167 -11.093 4.719 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.338 -9.363 5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.429 -11.839 5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.111 -11.820 6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.941 -11.073 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.556 -11.297 6.321 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.360 -8.099 7.474 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.741 -7.260 8.515 1.00 0.00 C ATOM 1091 C PRO A 71 -1.472 -7.960 9.867 1.00 0.00 C ATOM 1092 O PRO A 71 -0.655 -7.469 10.656 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.748 -6.131 8.704 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.045 -6.671 8.212 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.705 -7.606 7.101 1.00 0.00 C ATOM 0 HA PRO A 71 -0.746 -6.951 8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.817 -5.837 9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.454 -5.244 8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.579 -7.189 9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.694 -5.869 7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.426 -8.420 7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.695 -7.099 6.136 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.118 -9.075 10.139 1.00 0.00 N ATOM 1104 CA PHE A 72 -1.971 -9.706 11.437 1.00 0.00 C ATOM 1105 C PHE A 72 -1.221 -11.013 11.375 1.00 0.00 C ATOM 1106 O PHE A 72 -0.341 -11.284 12.200 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.334 -9.933 12.073 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.071 -8.661 12.359 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -3.795 -7.928 13.494 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.028 -8.190 11.479 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.459 -6.749 13.751 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.695 -7.014 11.730 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.411 -6.291 12.866 1.00 0.00 C ATOM 0 H PHE A 72 -2.741 -9.558 9.491 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.382 -9.021 12.047 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.938 -10.554 11.411 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.206 -10.488 13.002 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.049 -8.283 14.190 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.254 -8.752 10.585 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.234 -6.185 14.644 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.442 -6.658 11.036 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.933 -5.366 13.064 1.00 0.00 H new ATOM 1123 N THR A 73 -1.538 -11.796 10.395 1.00 0.00 N ATOM 1124 CA THR A 73 -0.979 -13.121 10.266 1.00 0.00 C ATOM 1125 C THR A 73 0.287 -13.072 9.435 1.00 0.00 C ATOM 1126 O THR A 73 1.099 -13.991 9.458 1.00 0.00 O ATOM 1127 CB THR A 73 -1.986 -14.054 9.581 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.197 -13.617 8.225 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.314 -14.016 10.319 1.00 0.00 C ATOM 0 H THR A 73 -2.193 -11.543 9.655 1.00 0.00 H new ATOM 0 HA THR A 73 -0.750 -13.497 11.263 1.00 0.00 H new ATOM 0 HB THR A 73 -1.591 -15.070 9.591 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.839 -14.213 7.785 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.023 -14.681 9.826 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.167 -14.341 11.349 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.705 -12.999 10.312 1.00 0.00 H new ATOM 1137 N LEU A 74 0.427 -11.977 8.695 1.00 0.00 N ATOM 1138 CA LEU A 74 1.539 -11.726 7.792 1.00 0.00 C ATOM 1139 C LEU A 74 1.602 -12.748 6.668 1.00 0.00 C ATOM 1140 O LEU A 74 2.640 -12.927 6.030 1.00 0.00 O ATOM 1141 CB LEU A 74 2.878 -11.625 8.519 1.00 0.00 C ATOM 1142 CG LEU A 74 2.966 -10.644 9.663 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.395 -10.278 9.908 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.098 -9.412 9.470 1.00 0.00 C ATOM 0 H LEU A 74 -0.253 -11.217 8.709 1.00 0.00 H new ATOM 0 HA LEU A 74 1.347 -10.751 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.131 -12.614 8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.641 -11.361 7.787 1.00 0.00 H new ATOM 0 HG LEU A 74 2.566 -11.141 10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.453 -9.570 10.735 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.962 -11.174 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.813 -9.823 9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.210 -8.750 10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.406 -8.888 8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.055 -9.713 9.377 1.00 0.00 H new ATOM 1156 N ALA A 75 0.478 -13.376 6.397 1.00 0.00 N ATOM 1157 CA ALA A 75 0.387 -14.319 5.323 1.00 0.00 C ATOM 1158 C ALA A 75 0.163 -13.600 4.033 1.00 0.00 C ATOM 1159 O ALA A 75 -0.553 -12.593 3.988 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.755 -15.268 5.558 1.00 0.00 C ATOM 0 H ALA A 75 -0.390 -13.243 6.917 1.00 0.00 H new ATOM 0 HA ALA A 75 1.320 -14.880 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.813 -15.979 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.594 -15.807 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.688 -14.707 5.619 1.00 0.00 H new ATOM 1166 N TYR A 76 0.757 -14.098 3.002 1.00 0.00 N ATOM 1167 CA TYR A 76 0.633 -13.505 1.705 1.00 0.00 C ATOM 1168 C TYR A 76 -0.396 -14.203 0.891 1.00 0.00 C ATOM 1169 O TYR A 76 -0.604 -15.418 1.035 1.00 0.00 O ATOM 1170 CB TYR A 76 1.936 -13.530 0.965 1.00 0.00 C ATOM 1171 CG TYR A 76 2.944 -12.573 1.475 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.835 -12.928 2.456 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.022 -11.319 0.931 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.788 -12.031 2.885 1.00 0.00 C ATOM 1175 CE2 TYR A 76 3.960 -10.421 1.332 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.846 -10.777 2.309 1.00 0.00 C ATOM 1177 OH TYR A 76 5.792 -9.884 2.718 1.00 0.00 O ATOM 0 H TYR A 76 1.345 -14.931 3.030 1.00 0.00 H new ATOM 0 HA TYR A 76 0.330 -12.470 1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.350 -14.537 1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.747 -13.315 -0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.789 -13.914 2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.319 -11.036 0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.483 -12.306 3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.004 -9.439 0.884 1.00 0.00 H new ATOM 0 HH TYR A 76 6.028 -9.293 1.973 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.045 -13.446 0.067 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.980 -13.943 -0.876 1.00 0.00 C ATOM 1189 C VAL A 77 -1.190 -14.399 -2.087 1.00 0.00 C ATOM 1190 O VAL A 77 -0.643 -13.586 -2.841 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.998 -12.843 -1.277 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -4.013 -13.364 -2.280 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.699 -12.295 -0.036 1.00 0.00 C ATOM 0 H VAL A 77 -0.932 -12.433 0.035 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.550 -14.768 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.448 -12.034 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.711 -12.567 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.497 -13.700 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.561 -14.199 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.411 -11.524 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.228 -13.103 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.959 -11.867 0.640 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.083 -15.682 -2.222 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.327 -16.297 -3.275 1.00 0.00 C ATOM 1205 C GLU A 78 -1.260 -16.908 -4.289 1.00 0.00 C ATOM 1206 O GLU A 78 -0.850 -17.644 -5.181 1.00 0.00 O ATOM 1207 CB GLU A 78 0.577 -17.325 -2.666 1.00 0.00 C ATOM 1208 CG GLU A 78 1.679 -16.675 -1.825 1.00 0.00 C ATOM 1209 CD GLU A 78 2.727 -17.625 -1.341 1.00 0.00 C ATOM 1210 OE1 GLU A 78 3.523 -18.112 -2.169 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.833 -17.844 -0.114 1.00 0.00 O ATOM 0 H GLU A 78 -1.527 -16.349 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 78 0.279 -15.557 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.007 -18.001 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.027 -17.928 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.158 -15.895 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.222 -16.187 -0.964 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.518 -16.549 -4.151 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.590 -16.982 -4.989 1.00 0.00 C ATOM 1220 C ASP A 79 -3.481 -16.393 -6.356 1.00 0.00 C ATOM 1221 O ASP A 79 -2.756 -15.417 -6.586 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.950 -16.507 -4.418 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.274 -17.060 -3.060 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.815 -16.506 -2.051 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.996 -18.073 -2.980 1.00 0.00 O ATOM 0 H ASP A 79 -2.825 -15.916 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.532 -18.070 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.948 -15.418 -4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.742 -16.790 -5.112 1.00 0.00 H new ATOM 1230 N SER A 80 -4.169 -17.003 -7.260 1.00 0.00 N ATOM 1231 CA SER A 80 -4.321 -16.514 -8.571 1.00 0.00 C ATOM 1232 C SER A 80 -5.469 -15.536 -8.609 1.00 0.00 C ATOM 1233 O SER A 80 -5.401 -14.501 -9.252 1.00 0.00 O ATOM 1234 CB SER A 80 -4.563 -17.645 -9.518 1.00 0.00 C ATOM 1235 OG SER A 80 -3.428 -18.502 -9.636 1.00 0.00 O ATOM 0 H SER A 80 -4.654 -17.885 -7.092 1.00 0.00 H new ATOM 0 HA SER A 80 -3.408 -16.003 -8.877 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.420 -18.225 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.819 -17.246 -10.500 1.00 0.00 H new ATOM 0 HG SER A 80 -3.630 -19.228 -10.263 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.506 -15.862 -7.893 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.660 -15.058 -7.780 1.00 0.00 C ATOM 1243 C PHE A 81 -8.037 -14.929 -6.333 1.00 0.00 C ATOM 1244 O PHE A 81 -7.759 -15.808 -5.526 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.800 -15.685 -8.527 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.704 -15.602 -10.010 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.886 -16.463 -10.702 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.434 -14.665 -10.711 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.786 -16.393 -12.070 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.342 -14.588 -12.083 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.516 -15.451 -12.762 1.00 0.00 C ATOM 0 H PHE A 81 -6.560 -16.729 -7.358 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.449 -14.075 -8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.868 -16.735 -8.241 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.728 -15.208 -8.211 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.315 -17.204 -10.163 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.084 -13.986 -10.179 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.138 -17.074 -12.602 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.918 -13.851 -12.624 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.439 -15.391 -13.838 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.673 -13.858 -6.023 1.00 0.00 N ATOM 1262 CA LEU A 82 -9.138 -13.588 -4.692 1.00 0.00 C ATOM 1263 C LEU A 82 -10.465 -14.243 -4.474 1.00 0.00 C ATOM 1264 O LEU A 82 -11.163 -14.611 -5.419 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.282 -12.089 -4.510 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.980 -11.359 -4.207 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.193 -9.867 -4.180 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.425 -11.842 -2.868 1.00 0.00 C ATOM 0 H LEU A 82 -8.894 -13.123 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.421 -13.982 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.718 -11.667 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.986 -11.901 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.262 -11.580 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.249 -9.369 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.563 -9.535 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.922 -9.617 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.493 -11.320 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.148 -11.637 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.237 -12.914 -2.918 1.00 0.00 H new ATOM 1280 N THR A 83 -10.787 -14.424 -3.253 1.00 0.00 N ATOM 1281 CA THR A 83 -12.052 -14.931 -2.878 1.00 0.00 C ATOM 1282 C THR A 83 -12.790 -13.856 -2.097 1.00 0.00 C ATOM 1283 O THR A 83 -12.134 -12.951 -1.545 1.00 0.00 O ATOM 1284 CB THR A 83 -11.892 -16.195 -2.013 1.00 0.00 C ATOM 1285 OG1 THR A 83 -11.016 -15.912 -0.907 1.00 0.00 O ATOM 1286 CG2 THR A 83 -11.312 -17.325 -2.833 1.00 0.00 C ATOM 0 H THR A 83 -10.168 -14.221 -2.468 1.00 0.00 H new ATOM 0 HA THR A 83 -12.617 -15.201 -3.770 1.00 0.00 H new ATOM 0 HB THR A 83 -12.873 -16.493 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.915 -16.716 -0.355 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.205 -18.211 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.977 -17.548 -3.667 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.335 -17.032 -3.217 1.00 0.00 H new ATOM 1294 N PRO A 84 -14.143 -13.900 -2.047 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.940 -12.971 -1.225 1.00 0.00 C ATOM 1296 C PRO A 84 -14.479 -13.041 0.219 1.00 0.00 C ATOM 1297 O PRO A 84 -14.432 -12.045 0.908 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.375 -13.502 -1.350 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.244 -14.860 -1.955 1.00 0.00 C ATOM 1300 CD PRO A 84 -15.011 -14.820 -2.800 1.00 0.00 C ATOM 0 HA PRO A 84 -14.848 -11.932 -1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.862 -13.551 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.982 -12.849 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.162 -15.625 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.120 -15.105 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.560 -15.807 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.219 -14.452 -3.805 1.00 0.00 H new ATOM 1308 N GLU A 85 -14.100 -14.239 0.635 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.558 -14.495 1.947 1.00 0.00 C ATOM 1310 C GLU A 85 -12.328 -13.636 2.198 1.00 0.00 C ATOM 1311 O GLU A 85 -12.234 -12.950 3.210 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.189 -15.964 2.057 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.369 -16.903 1.968 1.00 0.00 C ATOM 1314 CD GLU A 85 -15.305 -16.764 3.133 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -14.897 -17.063 4.270 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -16.475 -16.401 2.931 1.00 0.00 O ATOM 0 H GLU A 85 -14.165 -15.074 0.053 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.310 -14.244 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.481 -16.210 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.677 -16.129 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.914 -16.710 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.008 -17.930 1.917 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.403 -13.650 1.241 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.192 -12.872 1.351 1.00 0.00 C ATOM 1325 C ARG A 86 -10.499 -11.399 1.434 1.00 0.00 C ATOM 1326 O ARG A 86 -9.842 -10.666 2.164 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.227 -13.142 0.218 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.457 -14.448 0.273 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.727 -14.599 1.588 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.039 -13.364 1.997 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.149 -13.305 2.978 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -5.598 -14.421 3.444 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -5.779 -12.123 3.465 1.00 0.00 N ATOM 0 H ARG A 86 -11.478 -14.196 0.383 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.706 -13.184 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.786 -13.116 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.507 -12.324 0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.144 -15.284 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.742 -14.486 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.437 -14.889 2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.999 -15.406 1.505 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.260 -12.503 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.860 -15.323 3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.913 -14.375 4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.180 -11.266 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.095 -12.074 4.220 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.480 -10.989 0.681 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.916 -9.622 0.647 1.00 0.00 C ATOM 1349 C LEU A 87 -12.505 -9.219 1.982 1.00 0.00 C ATOM 1350 O LEU A 87 -12.197 -8.173 2.506 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.940 -9.448 -0.452 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.511 -9.877 -1.836 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.607 -9.581 -2.842 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.221 -9.187 -2.211 1.00 0.00 C ATOM 0 H LEU A 87 -12.008 -11.606 0.063 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.059 -8.980 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.833 -10.010 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.225 -8.397 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.336 -10.953 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.284 -9.895 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.511 -10.124 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.814 -8.511 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.918 -9.501 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.369 -8.107 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.444 -9.454 -1.495 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.341 -10.063 2.503 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.959 -9.883 3.755 1.00 0.00 C ATOM 1368 C VAL A 88 -13.004 -9.845 4.928 1.00 0.00 C ATOM 1369 O VAL A 88 -13.095 -8.951 5.782 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.134 -10.851 3.887 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.588 -10.865 5.289 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.275 -10.551 2.961 1.00 0.00 C ATOM 0 H VAL A 88 -13.614 -10.929 2.038 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.372 -8.875 3.793 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.775 -11.837 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.427 -11.553 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.770 -11.189 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.903 -9.863 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.070 -11.281 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.657 -9.551 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.929 -10.603 1.929 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.072 -10.756 4.960 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.019 -10.699 5.955 1.00 0.00 C ATOM 1384 C GLU A 89 -10.167 -9.446 5.818 1.00 0.00 C ATOM 1385 O GLU A 89 -9.650 -8.910 6.803 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.168 -11.927 5.959 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.647 -13.006 6.872 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.878 -13.727 6.410 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -11.736 -14.756 5.727 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -12.999 -13.337 6.790 1.00 0.00 O ATOM 0 H GLU A 89 -12.013 -11.545 4.316 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.522 -10.652 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.117 -12.322 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.153 -11.650 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.846 -13.733 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.845 -12.571 7.852 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.011 -8.996 4.613 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.253 -7.772 4.361 1.00 0.00 C ATOM 1399 C ALA A 90 -10.070 -6.521 4.722 1.00 0.00 C ATOM 1400 O ALA A 90 -9.514 -5.527 5.192 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.746 -7.719 2.946 1.00 0.00 C ATOM 0 H ALA A 90 -10.390 -9.443 3.778 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.380 -7.786 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.187 -6.796 2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.094 -8.573 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.589 -7.750 2.256 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.382 -6.578 4.512 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.296 -5.487 4.877 1.00 0.00 C ATOM 1409 C GLU A 91 -12.236 -5.140 6.356 1.00 0.00 C ATOM 1410 O GLU A 91 -12.521 -4.004 6.763 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.695 -5.768 4.435 1.00 0.00 C ATOM 1412 CG GLU A 91 -14.008 -5.259 3.064 1.00 0.00 C ATOM 1413 CD GLU A 91 -14.132 -3.765 3.061 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -13.113 -3.059 3.031 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.283 -3.261 3.111 1.00 0.00 O ATOM 0 H GLU A 91 -11.847 -7.379 4.085 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.950 -4.604 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.865 -6.844 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.388 -5.319 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.224 -5.564 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.937 -5.705 2.710 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.884 -6.121 7.139 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.650 -5.976 8.544 1.00 0.00 C ATOM 1424 C LYS A 92 -10.594 -4.911 8.866 1.00 0.00 C ATOM 1425 O LYS A 92 -10.670 -4.231 9.882 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.177 -7.278 9.026 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.260 -8.294 8.928 1.00 0.00 C ATOM 1428 CD LYS A 92 -11.823 -9.575 9.476 1.00 0.00 C ATOM 1429 CE LYS A 92 -12.881 -10.625 9.255 1.00 0.00 C ATOM 1430 NZ LYS A 92 -14.116 -10.361 10.015 1.00 0.00 N ATOM 0 H LYS A 92 -11.748 -7.074 6.803 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.573 -5.655 9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.315 -7.598 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.844 -7.191 10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.141 -7.945 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.552 -8.420 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.891 -9.882 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.620 -9.472 10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.118 -10.677 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.485 -11.599 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.740 -11.191 9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.878 -10.170 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.603 -9.536 9.611 1.00 0.00 H new ATOM 1444 N SER A 93 -9.591 -4.793 8.010 1.00 0.00 N ATOM 1445 CA SER A 93 -8.531 -3.839 8.225 1.00 0.00 C ATOM 1446 C SER A 93 -7.954 -3.191 6.932 1.00 0.00 C ATOM 1447 O SER A 93 -8.267 -2.031 6.613 1.00 0.00 O ATOM 1448 CB SER A 93 -7.451 -4.459 9.082 1.00 0.00 C ATOM 1449 OG SER A 93 -7.953 -4.809 10.378 1.00 0.00 O ATOM 0 H SER A 93 -9.495 -5.350 7.161 1.00 0.00 H new ATOM 0 HA SER A 93 -8.980 -2.998 8.754 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.058 -5.348 8.589 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.621 -3.760 9.187 1.00 0.00 H new ATOM 0 HG SER A 93 -7.230 -4.748 11.036 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.106 -3.929 6.239 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.423 -3.510 5.013 1.00 0.00 C ATOM 1457 C TYR A 94 -5.710 -4.737 4.397 1.00 0.00 C ATOM 1458 O TYR A 94 -5.785 -5.849 4.940 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.274 -2.470 5.272 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.282 -2.650 6.374 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.696 -2.717 7.667 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.927 -2.643 6.114 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.807 -2.783 8.706 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -2.022 -2.722 7.134 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.460 -2.791 8.436 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.540 -2.853 9.474 1.00 0.00 O ATOM 0 H TYR A 94 -6.859 -4.878 6.521 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.189 -3.069 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.705 -2.392 4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.753 -1.505 5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.755 -2.718 7.880 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.579 -2.574 5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.160 -2.828 9.726 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.964 -2.730 6.918 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.632 -2.851 9.106 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.004 -4.500 3.304 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.065 -5.448 2.691 1.00 0.00 C ATOM 1478 C PHE A 95 -2.725 -4.784 2.707 1.00 0.00 C ATOM 1479 O PHE A 95 -2.666 -3.576 2.721 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.378 -5.763 1.217 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.275 -6.933 0.947 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.945 -8.191 1.424 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.404 -6.795 0.157 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.730 -9.291 1.126 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.200 -7.887 -0.140 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.859 -9.139 0.344 1.00 0.00 C ATOM 0 H PHE A 95 -5.065 -3.617 2.797 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.121 -6.382 3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.832 -4.878 0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.434 -5.933 0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.064 -8.315 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.667 -5.822 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.461 -10.266 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.084 -7.763 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.475 -9.995 0.111 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.662 -5.529 2.749 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.353 -4.917 2.678 1.00 0.00 C ATOM 1498 C ILE A 96 0.396 -5.421 1.442 1.00 0.00 C ATOM 1499 O ILE A 96 0.866 -6.539 1.415 1.00 0.00 O ATOM 1500 CB ILE A 96 0.497 -5.182 3.918 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.321 -4.952 5.176 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.689 -4.235 3.907 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.471 -5.098 6.437 1.00 0.00 C ATOM 0 H ILE A 96 -1.664 -6.546 2.831 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.517 -3.841 2.615 1.00 0.00 H new ATOM 0 HB ILE A 96 0.839 -6.217 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.753 -3.952 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.152 -5.658 5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.304 -4.415 4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.282 -4.407 3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.335 -3.204 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.176 -4.920 7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.881 -6.106 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.286 -4.374 6.441 1.00 0.00 H new ATOM 1515 N LEU A 97 0.429 -4.616 0.423 1.00 0.00 N ATOM 1516 CA LEU A 97 1.109 -4.920 -0.815 1.00 0.00 C ATOM 1517 C LEU A 97 2.596 -4.675 -0.615 1.00 0.00 C ATOM 1518 O LEU A 97 3.054 -3.541 -0.515 1.00 0.00 O ATOM 1519 CB LEU A 97 0.503 -4.014 -1.921 1.00 0.00 C ATOM 1520 CG LEU A 97 0.766 -4.329 -3.408 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.844 -3.464 -3.963 1.00 0.00 C ATOM 1522 CD2 LEU A 97 1.070 -5.796 -3.637 1.00 0.00 C ATOM 0 H LEU A 97 -0.026 -3.703 0.423 1.00 0.00 H new ATOM 0 HA LEU A 97 0.981 -5.960 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.578 -4.007 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.856 -2.999 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.155 -4.105 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.005 -3.711 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.551 -2.418 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.766 -3.629 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.248 -5.969 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.957 -6.077 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.223 -6.399 -3.308 1.00 0.00 H new ATOM 1534 N ARG A 98 3.326 -5.754 -0.490 1.00 0.00 N ATOM 1535 CA ARG A 98 4.738 -5.685 -0.172 1.00 0.00 C ATOM 1536 C ARG A 98 5.499 -6.476 -1.164 1.00 0.00 C ATOM 1537 O ARG A 98 4.916 -7.297 -1.902 1.00 0.00 O ATOM 1538 CB ARG A 98 5.033 -6.363 1.175 1.00 0.00 C ATOM 1539 CG ARG A 98 3.974 -6.217 2.215 1.00 0.00 C ATOM 1540 CD ARG A 98 4.361 -6.908 3.497 1.00 0.00 C ATOM 1541 NE ARG A 98 5.472 -6.238 4.176 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.546 -6.839 4.692 1.00 0.00 C ATOM 1543 NH1 ARG A 98 6.699 -8.150 4.600 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.466 -6.117 5.304 1.00 0.00 N ATOM 0 H ARG A 98 2.966 -6.701 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 98 5.014 -4.631 -0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.199 -7.426 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.964 -5.956 1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.797 -5.159 2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.038 -6.634 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.499 -6.943 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.639 -7.940 3.281 1.00 0.00 H new ATOM 0 HE ARG A 98 5.420 -5.223 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.991 -8.714 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.525 -8.596 4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.354 -5.106 5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.289 -6.570 5.701 1.00 0.00 H new ATOM 1558 N MET A 99 6.784 -6.258 -1.182 1.00 0.00 N ATOM 1559 CA MET A 99 7.657 -7.118 -1.888 1.00 0.00 C ATOM 1560 C MET A 99 7.891 -8.285 -1.018 1.00 0.00 C ATOM 1561 O MET A 99 8.101 -8.134 0.191 1.00 0.00 O ATOM 1562 CB MET A 99 8.976 -6.468 -2.216 1.00 0.00 C ATOM 1563 CG MET A 99 8.902 -5.580 -3.391 1.00 0.00 C ATOM 1564 SD MET A 99 8.693 -6.540 -4.886 1.00 0.00 S ATOM 1565 CE MET A 99 10.220 -6.222 -5.711 1.00 0.00 C ATOM 0 H MET A 99 7.242 -5.480 -0.707 1.00 0.00 H new ATOM 0 HA MET A 99 7.201 -7.389 -2.840 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.317 -5.894 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.721 -7.242 -2.398 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.070 -4.885 -3.278 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.810 -4.981 -3.460 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.145 -6.540 -6.751 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.439 -5.155 -5.673 1.00 0.00 H new ATOM 0 HE3 MET A 99 11.021 -6.775 -5.220 1.00 0.00 H new ATOM 1575 N LYS A 100 7.785 -9.414 -1.583 1.00 0.00 N ATOM 1576 CA LYS A 100 8.014 -10.630 -0.886 1.00 0.00 C ATOM 1577 C LYS A 100 9.484 -10.665 -0.430 1.00 0.00 C ATOM 1578 O LYS A 100 10.391 -10.582 -1.267 1.00 0.00 O ATOM 1579 CB LYS A 100 7.630 -11.786 -1.790 1.00 0.00 C ATOM 1580 CG LYS A 100 6.168 -11.721 -2.230 1.00 0.00 C ATOM 1581 CD LYS A 100 5.725 -12.888 -3.122 1.00 0.00 C ATOM 1582 CE LYS A 100 5.344 -14.147 -2.332 1.00 0.00 C ATOM 1583 NZ LYS A 100 6.485 -14.815 -1.684 1.00 0.00 N ATOM 0 H LYS A 100 7.532 -9.535 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 100 7.401 -10.711 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.272 -11.784 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.808 -12.726 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.535 -11.696 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.003 -10.786 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.872 -12.573 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.530 -13.132 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.613 -13.878 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.857 -14.853 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.307 -15.838 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.349 -14.640 -2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.607 -14.439 -0.722 1.00 0.00 H new ATOM 1597 N PRO A 101 9.718 -10.744 0.910 1.00 0.00 N ATOM 1598 CA PRO A 101 11.045 -10.578 1.541 1.00 0.00 C ATOM 1599 C PRO A 101 12.106 -11.446 0.933 1.00 0.00 C ATOM 1600 O PRO A 101 11.982 -12.681 0.908 1.00 0.00 O ATOM 1601 CB PRO A 101 10.805 -10.960 3.004 1.00 0.00 C ATOM 1602 CG PRO A 101 9.541 -11.717 2.970 1.00 0.00 C ATOM 1603 CD PRO A 101 8.719 -11.051 1.921 1.00 0.00 C ATOM 0 HA PRO A 101 11.419 -9.563 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 101 11.622 -11.564 3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.725 -10.078 3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.716 -12.765 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.040 -11.693 3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.937 -11.706 1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.227 -10.153 2.296 1.00 0.00 H new ATOM 1611 N HIS A 102 13.155 -10.783 0.479 1.00 0.00 N ATOM 1612 CA HIS A 102 14.273 -11.370 -0.233 1.00 0.00 C ATOM 1613 C HIS A 102 13.859 -12.414 -1.236 1.00 0.00 C ATOM 1614 O HIS A 102 13.972 -13.619 -1.011 1.00 0.00 O ATOM 1615 CB HIS A 102 15.452 -11.772 0.660 1.00 0.00 C ATOM 1616 CG HIS A 102 15.139 -12.637 1.855 1.00 0.00 C ATOM 1617 ND1 HIS A 102 15.174 -12.167 3.148 1.00 0.00 N ATOM 1618 CD2 HIS A 102 14.811 -13.939 1.947 1.00 0.00 C ATOM 1619 CE1 HIS A 102 14.882 -13.138 3.979 1.00 0.00 C ATOM 1620 NE2 HIS A 102 14.654 -14.226 3.279 1.00 0.00 N ATOM 0 H HIS A 102 13.254 -9.775 0.603 1.00 0.00 H new ATOM 0 HA HIS A 102 14.681 -10.558 -0.834 1.00 0.00 H new ATOM 0 HB2 HIS A 102 16.181 -12.297 0.043 1.00 0.00 H new ATOM 0 HB3 HIS A 102 15.933 -10.861 1.017 1.00 0.00 H new ATOM 0 HD2 HIS A 102 14.693 -14.629 1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.837 -13.057 5.055 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.401 -15.136 3.664 1.00 0.00 H new ATOM 1629 N ALA A 103 13.334 -11.928 -2.308 1.00 0.00 N ATOM 1630 CA ALA A 103 12.771 -12.753 -3.338 1.00 0.00 C ATOM 1631 C ALA A 103 13.837 -13.453 -4.140 1.00 0.00 C ATOM 1632 O ALA A 103 14.917 -12.886 -4.411 1.00 0.00 O ATOM 1633 CB ALA A 103 11.858 -11.943 -4.247 1.00 0.00 C ATOM 0 H ALA A 103 13.280 -10.928 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 103 12.174 -13.521 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.444 -12.592 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.046 -11.515 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.429 -11.141 -4.715 1.00 0.00 H new ATOM 1639 N ILE A 104 13.533 -14.681 -4.497 1.00 0.00 N ATOM 1640 CA ILE A 104 14.358 -15.500 -5.296 1.00 0.00 C ATOM 1641 C ILE A 104 14.406 -14.920 -6.696 1.00 0.00 C ATOM 1642 O ILE A 104 13.361 -14.671 -7.301 1.00 0.00 O ATOM 1643 CB ILE A 104 13.754 -16.894 -5.340 1.00 0.00 C ATOM 1644 CG1 ILE A 104 13.623 -17.491 -3.925 1.00 0.00 C ATOM 1645 CG2 ILE A 104 14.532 -17.798 -6.262 1.00 0.00 C ATOM 1646 CD1 ILE A 104 12.955 -18.847 -3.869 1.00 0.00 C ATOM 0 H ILE A 104 12.664 -15.137 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 104 15.367 -15.549 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 104 12.747 -16.809 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 104 14.618 -17.573 -3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.057 -16.797 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.075 -18.788 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 104 14.523 -17.384 -7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 104 15.561 -17.877 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.907 -19.187 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 104 11.945 -18.772 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.530 -19.561 -4.459 1.00 0.00 H new ATOM 1658 N ALA A 105 15.582 -14.656 -7.195 1.00 0.00 N ATOM 1659 CA ALA A 105 15.688 -14.088 -8.501 1.00 0.00 C ATOM 1660 C ALA A 105 16.614 -14.878 -9.393 1.00 0.00 C ATOM 1661 O ALA A 105 17.821 -14.614 -9.474 1.00 0.00 O ATOM 1662 CB ALA A 105 16.088 -12.632 -8.440 1.00 0.00 C ATOM 0 H ALA A 105 16.469 -14.824 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 105 14.696 -14.140 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 105 16.159 -12.232 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 105 15.339 -12.072 -7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 105 17.055 -12.541 -7.945 1.00 0.00 H new ATOM 1668 N ASP A 106 16.071 -15.903 -9.986 1.00 0.00 N ATOM 1669 CA ASP A 106 16.798 -16.688 -10.991 1.00 0.00 C ATOM 1670 C ASP A 106 16.115 -16.517 -12.322 1.00 0.00 C ATOM 1671 O ASP A 106 16.570 -16.979 -13.373 1.00 0.00 O ATOM 1672 CB ASP A 106 16.909 -18.173 -10.613 1.00 0.00 C ATOM 1673 CG ASP A 106 15.601 -18.933 -10.693 1.00 0.00 C ATOM 1674 OD1 ASP A 106 14.822 -18.893 -9.741 1.00 0.00 O ATOM 1675 OD2 ASP A 106 15.355 -19.612 -11.701 1.00 0.00 O ATOM 0 H ASP A 106 15.123 -16.230 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 106 17.821 -16.317 -11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 106 17.635 -18.651 -11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.300 -18.250 -9.598 1.00 0.00 H new ATOM 1680 N ARG A 107 15.086 -15.781 -12.251 1.00 0.00 N ATOM 1681 CA ARG A 107 14.207 -15.486 -13.339 1.00 0.00 C ATOM 1682 C ARG A 107 14.200 -14.000 -13.533 1.00 0.00 C ATOM 1683 O ARG A 107 14.746 -13.524 -14.543 1.00 0.00 O ATOM 1684 CB ARG A 107 12.798 -15.992 -13.041 1.00 0.00 C ATOM 1685 CG ARG A 107 12.669 -17.503 -13.003 1.00 0.00 C ATOM 1686 CD ARG A 107 11.337 -17.936 -12.418 1.00 0.00 C ATOM 1687 NE ARG A 107 10.170 -17.369 -13.115 1.00 0.00 N ATOM 1688 CZ ARG A 107 8.902 -17.519 -12.703 1.00 0.00 C ATOM 1689 NH1 ARG A 107 8.632 -18.232 -11.613 1.00 0.00 N ATOM 1690 NH2 ARG A 107 7.913 -16.967 -13.393 1.00 0.00 N ATOM 1691 OXT ARG A 107 13.749 -13.291 -12.637 1.00 0.00 O ATOM 0 H ARG A 107 14.801 -15.330 -11.381 1.00 0.00 H new ATOM 0 HA ARG A 107 14.550 -15.984 -14.246 1.00 0.00 H new ATOM 0 HB2 ARG A 107 12.476 -15.588 -12.081 1.00 0.00 H new ATOM 0 HB3 ARG A 107 12.117 -15.600 -13.797 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.771 -17.903 -14.012 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.481 -17.923 -12.410 1.00 0.00 H new ATOM 0 HD2 ARG A 107 11.274 -19.024 -12.448 1.00 0.00 H new ATOM 0 HD3 ARG A 107 11.299 -17.644 -11.369 1.00 0.00 H new ATOM 0 HE ARG A 107 10.336 -16.829 -13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 107 9.390 -18.667 -11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 107 7.667 -18.344 -11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.117 -16.429 -14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.948 -17.080 -13.081 1.00 0.00 H new TER 1705 ARG A 107