USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 872 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 100 LYS NZ :NH3+ 145:sc= 0.0624 (180deg=0) USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 MET CE :methyl -135:sc= -2.15 (180deg=-4.77!) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.41) USER MOD Set 3.2: A 89 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.3) USER MOD Single : A 1 ASP N :NH3+ 180:sc= -0.488 (180deg=-0.488) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 6 GLN : amide:sc= -0.0398 K(o=-0.04,f=-1.1) USER MOD Single : A 9 ASN : amide:sc= -0.479 K(o=-0.48,f=-1.1!) USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0376) USER MOD Single : A 13 LYS NZ :NH3+ -126:sc= -0.164 (180deg=-2.75!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.705 K(o=0.7,f=-0.061) USER MOD Single : A 27 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.18) USER MOD Single : A 30 THR OG1 : rot -17:sc= -0.189 USER MOD Single : A 38 SER OG : rot 24:sc= 0.39 USER MOD Single : A 39 ASN : amide:sc= -2.62 K(o=-2.6,f=-5.1!) USER MOD Single : A 41 GLN : amide:sc= -0.177 K(o=-0.18,f=-2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-4.3) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.4! C(o=-2.4!,f=-8.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -162:sc= -0.556 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 127:sc= -0.134 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.547 K(o=-0.55,f=-1.6) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 108 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.053) USER MOD Single : A 109 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 6.081 -36.247 -1.681 1.00 44.31 N ATOM 2 CA ASP A 1 5.425 -37.247 -2.515 1.00 50.43 C ATOM 3 C ASP A 1 4.667 -36.585 -3.662 1.00 11.11 C ATOM 4 O ASP A 1 3.648 -37.099 -4.125 1.00 13.21 O ATOM 5 CB ASP A 1 4.467 -38.093 -1.676 1.00 21.24 C ATOM 6 CG ASP A 1 5.139 -38.686 -0.453 1.00 13.15 C ATOM 7 OD1 ASP A 1 6.238 -39.259 -0.599 1.00 61.32 O ATOM 8 OD2 ASP A 1 4.564 -38.577 0.651 1.00 25.34 O ATOM 0 H1 ASP A 1 6.590 -36.720 -0.907 1.00 44.31 H new ATOM 0 H2 ASP A 1 6.754 -35.702 -2.257 1.00 44.31 H new ATOM 0 H3 ASP A 1 5.367 -35.604 -1.283 1.00 44.31 H new ATOM 0 HA ASP A 1 6.194 -37.894 -2.937 1.00 50.43 H new ATOM 0 HB2 ASP A 1 3.624 -37.478 -1.362 1.00 21.24 H new ATOM 0 HB3 ASP A 1 4.063 -38.897 -2.291 1.00 21.24 H new ATOM 13 N LEU A 2 5.170 -35.442 -4.115 1.00 11.10 N ATOM 14 CA LEU A 2 4.540 -34.708 -5.207 1.00 72.42 C ATOM 15 C LEU A 2 5.585 -33.992 -6.056 1.00 61.24 C ATOM 16 O LEU A 2 6.671 -33.663 -5.578 1.00 11.22 O ATOM 17 CB LEU A 2 3.534 -33.697 -4.655 1.00 43.50 C ATOM 18 CG LEU A 2 3.952 -32.963 -3.380 1.00 52.21 C ATOM 19 CD1 LEU A 2 5.159 -32.077 -3.645 1.00 41.11 C ATOM 20 CD2 LEU A 2 2.794 -32.140 -2.835 1.00 14.12 C ATOM 0 H LEU A 2 6.012 -35.003 -3.743 1.00 11.10 H new ATOM 0 HA LEU A 2 4.015 -35.425 -5.839 1.00 72.42 H new ATOM 0 HB2 LEU A 2 3.333 -32.955 -5.428 1.00 43.50 H new ATOM 0 HB3 LEU A 2 2.596 -34.217 -4.460 1.00 43.50 H new ATOM 0 HG LEU A 2 4.229 -33.705 -2.631 1.00 52.21 H new ATOM 0 HD11 LEU A 2 5.442 -31.563 -2.726 1.00 41.11 H new ATOM 0 HD12 LEU A 2 5.992 -32.690 -3.989 1.00 41.11 H new ATOM 0 HD13 LEU A 2 4.910 -31.342 -4.410 1.00 41.11 H new ATOM 0 HD21 LEU A 2 3.109 -31.625 -1.928 1.00 14.12 H new ATOM 0 HD22 LEU A 2 2.486 -31.407 -3.581 1.00 14.12 H new ATOM 0 HD23 LEU A 2 1.956 -32.798 -2.606 1.00 14.12 H new ATOM 32 N THR A 3 5.250 -33.751 -7.320 1.00 73.52 N ATOM 33 CA THR A 3 6.158 -33.073 -8.236 1.00 61.32 C ATOM 34 C THR A 3 6.338 -31.610 -7.849 1.00 54.23 C ATOM 35 O THR A 3 5.525 -31.047 -7.115 1.00 41.15 O ATOM 36 CB THR A 3 5.652 -33.150 -9.689 1.00 32.11 C ATOM 37 OG1 THR A 3 6.569 -32.484 -10.563 1.00 43.43 O ATOM 38 CG2 THR A 3 4.273 -32.519 -9.816 1.00 24.33 C ATOM 0 H THR A 3 4.355 -34.016 -7.732 1.00 73.52 H new ATOM 0 HA THR A 3 7.118 -33.585 -8.166 1.00 61.32 H new ATOM 0 HB THR A 3 5.581 -34.201 -9.970 1.00 32.11 H new ATOM 0 HG1 THR A 3 6.241 -32.539 -11.485 1.00 43.43 H new ATOM 0 HG21 THR A 3 3.936 -32.585 -10.851 1.00 24.33 H new ATOM 0 HG22 THR A 3 3.570 -33.047 -9.171 1.00 24.33 H new ATOM 0 HG23 THR A 3 4.323 -31.472 -9.517 1.00 24.33 H new ATOM 46 N VAL A 4 7.407 -30.997 -8.348 1.00 71.51 N ATOM 47 CA VAL A 4 7.692 -29.598 -8.056 1.00 1.21 C ATOM 48 C VAL A 4 6.805 -28.672 -8.880 1.00 74.45 C ATOM 49 O VAL A 4 5.914 -28.011 -8.346 1.00 71.33 O ATOM 50 CB VAL A 4 9.168 -29.256 -8.332 1.00 64.35 C ATOM 51 CG1 VAL A 4 9.458 -27.807 -7.973 1.00 55.34 C ATOM 52 CG2 VAL A 4 10.085 -30.197 -7.566 1.00 22.24 C ATOM 0 H VAL A 4 8.090 -31.448 -8.957 1.00 71.51 H new ATOM 0 HA VAL A 4 7.484 -29.448 -6.997 1.00 1.21 H new ATOM 0 HB VAL A 4 9.359 -29.386 -9.397 1.00 64.35 H new ATOM 0 HG11 VAL A 4 10.506 -27.585 -8.175 1.00 55.34 H new ATOM 0 HG12 VAL A 4 8.826 -27.150 -8.571 1.00 55.34 H new ATOM 0 HG13 VAL A 4 9.250 -27.646 -6.915 1.00 55.34 H new ATOM 0 HG21 VAL A 4 11.124 -29.941 -7.773 1.00 22.24 H new ATOM 0 HG22 VAL A 4 9.894 -30.102 -6.497 1.00 22.24 H new ATOM 0 HG23 VAL A 4 9.895 -31.224 -7.878 1.00 22.24 H new ATOM 62 N ARG A 5 7.054 -28.631 -10.185 1.00 54.43 N ATOM 63 CA ARG A 5 6.277 -27.785 -11.084 1.00 63.35 C ATOM 64 C ARG A 5 6.230 -26.348 -10.574 1.00 44.04 C ATOM 65 O ARG A 5 5.266 -25.624 -10.820 1.00 31.15 O ATOM 66 CB ARG A 5 4.856 -28.332 -11.233 1.00 2.23 C ATOM 67 CG ARG A 5 4.719 -29.384 -12.321 1.00 13.11 C ATOM 68 CD ARG A 5 4.788 -28.764 -13.708 1.00 3.44 C ATOM 69 NE ARG A 5 4.906 -29.775 -14.754 1.00 71.14 N ATOM 70 CZ ARG A 5 4.732 -29.519 -16.046 1.00 63.33 C ATOM 71 NH1 ARG A 5 4.435 -28.291 -16.448 1.00 64.23 N ATOM 72 NH2 ARG A 5 4.856 -30.493 -16.939 1.00 41.02 N ATOM 0 H ARG A 5 7.787 -29.173 -10.643 1.00 54.43 H new ATOM 0 HA ARG A 5 6.765 -27.790 -12.059 1.00 63.35 H new ATOM 0 HB2 ARG A 5 4.540 -28.761 -10.282 1.00 2.23 H new ATOM 0 HB3 ARG A 5 4.179 -27.506 -11.451 1.00 2.23 H new ATOM 0 HG2 ARG A 5 5.510 -30.126 -12.213 1.00 13.11 H new ATOM 0 HG3 ARG A 5 3.771 -29.910 -12.203 1.00 13.11 H new ATOM 0 HD2 ARG A 5 3.894 -28.165 -13.882 1.00 3.44 H new ATOM 0 HD3 ARG A 5 5.641 -28.087 -13.760 1.00 3.44 H new ATOM 0 HE ARG A 5 5.134 -30.730 -14.478 1.00 71.14 H new ATOM 0 HH11 ARG A 5 4.340 -27.540 -15.765 1.00 64.23 H new ATOM 0 HH12 ARG A 5 4.302 -28.097 -17.441 1.00 64.23 H new ATOM 0 HH21 ARG A 5 5.085 -31.439 -16.634 1.00 41.02 H new ATOM 0 HH22 ARG A 5 4.722 -30.296 -17.931 1.00 41.02 H new ATOM 86 N GLN A 6 7.278 -25.943 -9.864 1.00 22.21 N ATOM 87 CA GLN A 6 7.355 -24.593 -9.319 1.00 22.15 C ATOM 88 C GLN A 6 7.305 -23.552 -10.432 1.00 62.43 C ATOM 89 O GLN A 6 7.796 -23.786 -11.537 1.00 52.52 O ATOM 90 CB GLN A 6 8.638 -24.422 -8.502 1.00 75.52 C ATOM 91 CG GLN A 6 8.867 -22.999 -8.020 1.00 62.14 C ATOM 92 CD GLN A 6 9.936 -22.911 -6.949 1.00 11.11 C ATOM 93 OE1 GLN A 6 10.120 -23.840 -6.162 1.00 0.45 O ATOM 94 NE2 GLN A 6 10.648 -21.791 -6.913 1.00 52.52 N ATOM 0 H GLN A 6 8.085 -26.530 -9.653 1.00 22.21 H new ATOM 0 HA GLN A 6 6.494 -24.443 -8.667 1.00 22.15 H new ATOM 0 HB2 GLN A 6 8.601 -25.087 -7.639 1.00 75.52 H new ATOM 0 HB3 GLN A 6 9.489 -24.733 -9.108 1.00 75.52 H new ATOM 0 HG2 GLN A 6 9.153 -22.374 -8.866 1.00 62.14 H new ATOM 0 HG3 GLN A 6 7.932 -22.597 -7.629 1.00 62.14 H new ATOM 0 HE21 GLN A 6 10.462 -21.046 -7.585 1.00 52.52 H new ATOM 0 HE22 GLN A 6 11.381 -21.675 -6.214 1.00 52.52 H new ATOM 103 N LYS A 7 6.709 -22.403 -10.135 1.00 13.02 N ATOM 104 CA LYS A 7 6.595 -21.325 -11.110 1.00 15.12 C ATOM 105 C LYS A 7 7.602 -20.217 -10.817 1.00 33.51 C ATOM 106 O LYS A 7 7.685 -19.722 -9.694 1.00 24.32 O ATOM 107 CB LYS A 7 5.175 -20.753 -11.104 1.00 42.41 C ATOM 108 CG LYS A 7 4.731 -20.214 -12.453 1.00 70.53 C ATOM 109 CD LYS A 7 4.040 -21.285 -13.281 1.00 23.52 C ATOM 110 CE LYS A 7 2.989 -20.686 -14.202 1.00 72.31 C ATOM 111 NZ LYS A 7 3.578 -20.221 -15.488 1.00 63.31 N ATOM 0 H LYS A 7 6.297 -22.194 -9.226 1.00 13.02 H new ATOM 0 HA LYS A 7 6.811 -21.736 -12.096 1.00 15.12 H new ATOM 0 HB2 LYS A 7 4.480 -21.531 -10.786 1.00 42.41 H new ATOM 0 HB3 LYS A 7 5.118 -19.953 -10.366 1.00 42.41 H new ATOM 0 HG2 LYS A 7 4.053 -19.373 -12.305 1.00 70.53 H new ATOM 0 HG3 LYS A 7 5.596 -19.834 -12.997 1.00 70.53 H new ATOM 0 HD2 LYS A 7 4.780 -21.823 -13.873 1.00 23.52 H new ATOM 0 HD3 LYS A 7 3.572 -22.013 -12.618 1.00 23.52 H new ATOM 0 HE2 LYS A 7 2.217 -21.429 -14.404 1.00 72.31 H new ATOM 0 HE3 LYS A 7 2.503 -19.849 -13.702 1.00 72.31 H new ATOM 0 HZ1 LYS A 7 3.018 -19.428 -15.860 1.00 63.31 H new ATOM 0 HZ2 LYS A 7 4.557 -19.909 -15.329 1.00 63.31 H new ATOM 0 HZ3 LYS A 7 3.571 -21.001 -16.175 1.00 63.31 H new ATOM 125 N GLY A 8 8.364 -19.832 -11.836 1.00 23.22 N ATOM 126 CA GLY A 8 9.355 -18.785 -11.667 1.00 15.12 C ATOM 127 C GLY A 8 8.769 -17.526 -11.060 1.00 13.45 C ATOM 128 O GLY A 8 7.552 -17.402 -10.925 1.00 2.34 O ATOM 0 H GLY A 8 8.313 -20.226 -12.775 1.00 23.22 H new ATOM 0 HA2 GLY A 8 10.161 -19.151 -11.030 1.00 15.12 H new ATOM 0 HA3 GLY A 8 9.796 -18.547 -12.635 1.00 15.12 H new ATOM 132 N ASN A 9 9.637 -16.589 -10.691 1.00 32.23 N ATOM 133 CA ASN A 9 9.198 -15.334 -10.092 1.00 2.30 C ATOM 134 C ASN A 9 8.415 -14.496 -11.098 1.00 13.23 C ATOM 135 O ASN A 9 8.971 -14.004 -12.080 1.00 74.11 O ATOM 136 CB ASN A 9 10.402 -14.541 -9.579 1.00 63.22 C ATOM 137 CG ASN A 9 10.041 -13.116 -9.207 1.00 35.33 C ATOM 138 OD1 ASN A 9 9.791 -12.280 -10.075 1.00 61.22 O ATOM 139 ND2 ASN A 9 10.011 -12.833 -7.910 1.00 32.54 N ATOM 0 H ASN A 9 10.648 -16.675 -10.796 1.00 32.23 H new ATOM 0 HA ASN A 9 8.543 -15.570 -9.254 1.00 2.30 H new ATOM 0 HB2 ASN A 9 10.821 -15.045 -8.709 1.00 63.22 H new ATOM 0 HB3 ASN A 9 11.178 -14.528 -10.345 1.00 63.22 H new ATOM 0 HD21 ASN A 9 9.774 -11.891 -7.599 1.00 32.54 H new ATOM 0 HD22 ASN A 9 10.225 -13.558 -7.225 1.00 32.54 H new ATOM 146 N LYS A 10 7.120 -14.337 -10.845 1.00 51.45 N ATOM 147 CA LYS A 10 6.258 -13.557 -11.726 1.00 45.14 C ATOM 148 C LYS A 10 5.127 -12.902 -10.941 1.00 10.23 C ATOM 149 O LYS A 10 5.072 -12.998 -9.715 1.00 20.53 O ATOM 150 CB LYS A 10 5.680 -14.448 -12.827 1.00 74.44 C ATOM 151 CG LYS A 10 6.729 -15.005 -13.774 1.00 1.10 C ATOM 152 CD LYS A 10 6.126 -15.997 -14.754 1.00 70.11 C ATOM 153 CE LYS A 10 6.165 -17.416 -14.206 1.00 42.43 C ATOM 154 NZ LYS A 10 7.487 -18.062 -14.436 1.00 33.51 N ATOM 0 H LYS A 10 6.644 -14.738 -10.037 1.00 51.45 H new ATOM 0 HA LYS A 10 6.862 -12.772 -12.182 1.00 45.14 H new ATOM 0 HB2 LYS A 10 5.142 -15.277 -12.367 1.00 74.44 H new ATOM 0 HB3 LYS A 10 4.952 -13.875 -13.401 1.00 74.44 H new ATOM 0 HG2 LYS A 10 7.195 -14.187 -14.323 1.00 1.10 H new ATOM 0 HG3 LYS A 10 7.517 -15.493 -13.200 1.00 1.10 H new ATOM 0 HD2 LYS A 10 5.095 -15.717 -14.969 1.00 70.11 H new ATOM 0 HD3 LYS A 10 6.671 -15.955 -15.697 1.00 70.11 H new ATOM 0 HE2 LYS A 10 5.950 -17.399 -13.138 1.00 42.43 H new ATOM 0 HE3 LYS A 10 5.383 -18.010 -14.679 1.00 42.43 H new ATOM 0 HZ1 LYS A 10 7.447 -19.054 -14.126 1.00 33.51 H new ATOM 0 HZ2 LYS A 10 7.720 -18.025 -15.449 1.00 33.51 H new ATOM 0 HZ3 LYS A 10 8.218 -17.559 -13.894 1.00 33.51 H new ATOM 168 N VAL A 11 4.225 -12.236 -11.655 1.00 33.22 N ATOM 169 CA VAL A 11 3.093 -11.567 -11.024 1.00 72.54 C ATOM 170 C VAL A 11 1.771 -12.158 -11.501 1.00 54.11 C ATOM 171 O VAL A 11 1.743 -12.995 -12.404 1.00 13.11 O ATOM 172 CB VAL A 11 3.102 -10.055 -11.315 1.00 55.12 C ATOM 173 CG1 VAL A 11 4.251 -9.377 -10.585 1.00 61.32 C ATOM 174 CG2 VAL A 11 3.187 -9.801 -12.813 1.00 34.23 C ATOM 0 H VAL A 11 4.256 -12.145 -12.670 1.00 33.22 H new ATOM 0 HA VAL A 11 3.191 -11.723 -9.950 1.00 72.54 H new ATOM 0 HB VAL A 11 2.168 -9.627 -10.950 1.00 55.12 H new ATOM 0 HG11 VAL A 11 4.241 -8.309 -10.803 1.00 61.32 H new ATOM 0 HG12 VAL A 11 4.140 -9.529 -9.511 1.00 61.32 H new ATOM 0 HG13 VAL A 11 5.197 -9.806 -10.917 1.00 61.32 H new ATOM 0 HG21 VAL A 11 3.192 -8.727 -13.000 1.00 34.23 H new ATOM 0 HG22 VAL A 11 4.103 -10.242 -13.205 1.00 34.23 H new ATOM 0 HG23 VAL A 11 2.327 -10.251 -13.308 1.00 34.23 H new ATOM 184 N ILE A 12 0.677 -11.716 -10.889 1.00 60.32 N ATOM 185 CA ILE A 12 -0.649 -12.200 -11.252 1.00 71.15 C ATOM 186 C ILE A 12 -1.132 -11.559 -12.549 1.00 61.22 C ATOM 187 O ILE A 12 -0.767 -10.428 -12.869 1.00 40.23 O ATOM 188 CB ILE A 12 -1.676 -11.917 -10.140 1.00 22.21 C ATOM 189 CG1 ILE A 12 -1.128 -12.366 -8.784 1.00 22.51 C ATOM 190 CG2 ILE A 12 -2.992 -12.617 -10.444 1.00 12.04 C ATOM 191 CD1 ILE A 12 -0.869 -13.854 -8.700 1.00 31.53 C ATOM 0 H ILE A 12 0.683 -11.024 -10.140 1.00 60.32 H new ATOM 0 HA ILE A 12 -0.564 -13.278 -11.391 1.00 71.15 H new ATOM 0 HB ILE A 12 -1.859 -10.843 -10.099 1.00 22.21 H new ATOM 0 HG12 ILE A 12 -0.200 -11.832 -8.581 1.00 22.51 H new ATOM 0 HG13 ILE A 12 -1.835 -12.084 -8.004 1.00 22.51 H new ATOM 0 HG21 ILE A 12 -3.708 -12.407 -9.649 1.00 12.04 H new ATOM 0 HG22 ILE A 12 -3.387 -12.254 -11.393 1.00 12.04 H new ATOM 0 HG23 ILE A 12 -2.826 -13.692 -10.508 1.00 12.04 H new ATOM 0 HD11 ILE A 12 -0.482 -14.101 -7.711 1.00 31.53 H new ATOM 0 HD12 ILE A 12 -1.799 -14.395 -8.871 1.00 31.53 H new ATOM 0 HD13 ILE A 12 -0.139 -14.140 -9.457 1.00 31.53 H new ATOM 203 N LYS A 13 -1.957 -12.289 -13.292 1.00 64.43 N ATOM 204 CA LYS A 13 -2.494 -11.793 -14.554 1.00 5.34 C ATOM 205 C LYS A 13 -3.581 -10.751 -14.309 1.00 71.45 C ATOM 206 O LYS A 13 -4.220 -10.721 -13.257 1.00 43.33 O ATOM 207 CB LYS A 13 -3.057 -12.949 -15.383 1.00 23.24 C ATOM 208 CG LYS A 13 -4.496 -13.296 -15.043 1.00 61.35 C ATOM 209 CD LYS A 13 -4.634 -13.753 -13.601 1.00 13.12 C ATOM 210 CE LYS A 13 -3.892 -15.057 -13.355 1.00 64.44 C ATOM 211 NZ LYS A 13 -4.004 -15.502 -11.938 1.00 53.45 N ATOM 0 H LYS A 13 -2.269 -13.227 -13.042 1.00 64.43 H new ATOM 0 HA LYS A 13 -1.681 -11.322 -15.106 1.00 5.34 H new ATOM 0 HB2 LYS A 13 -2.994 -12.691 -16.440 1.00 23.24 H new ATOM 0 HB3 LYS A 13 -2.434 -13.831 -15.232 1.00 23.24 H new ATOM 0 HG2 LYS A 13 -5.131 -12.426 -15.212 1.00 61.35 H new ATOM 0 HG3 LYS A 13 -4.849 -14.082 -15.710 1.00 61.35 H new ATOM 0 HD2 LYS A 13 -4.246 -12.982 -12.935 1.00 13.12 H new ATOM 0 HD3 LYS A 13 -5.689 -13.882 -13.359 1.00 13.12 H new ATOM 0 HE2 LYS A 13 -4.291 -15.831 -14.011 1.00 64.44 H new ATOM 0 HE3 LYS A 13 -2.841 -14.931 -13.614 1.00 64.44 H new ATOM 0 HZ1 LYS A 13 -3.053 -15.662 -11.548 1.00 53.45 H new ATOM 0 HZ2 LYS A 13 -4.488 -14.769 -11.381 1.00 53.45 H new ATOM 0 HZ3 LYS A 13 -4.549 -16.387 -11.894 1.00 53.45 H new ATOM 225 N PRO A 14 -3.800 -9.878 -15.304 1.00 25.21 N ATOM 226 CA PRO A 14 -4.812 -8.821 -15.221 1.00 5.10 C ATOM 227 C PRO A 14 -6.232 -9.374 -15.263 1.00 11.32 C ATOM 228 O PRO A 14 -6.440 -10.559 -15.523 1.00 43.14 O ATOM 229 CB PRO A 14 -4.534 -7.966 -16.460 1.00 23.00 C ATOM 230 CG PRO A 14 -3.875 -8.895 -17.421 1.00 53.40 C ATOM 231 CD PRO A 14 -3.076 -9.856 -16.586 1.00 64.11 C ATOM 0 HA PRO A 14 -4.750 -8.269 -14.283 1.00 5.10 H new ATOM 0 HB2 PRO A 14 -5.456 -7.557 -16.874 1.00 23.00 H new ATOM 0 HB3 PRO A 14 -3.889 -7.120 -16.221 1.00 23.00 H new ATOM 0 HG2 PRO A 14 -4.615 -9.423 -18.023 1.00 53.40 H new ATOM 0 HG3 PRO A 14 -3.232 -8.350 -18.112 1.00 53.40 H new ATOM 0 HD2 PRO A 14 -3.035 -10.846 -17.041 1.00 64.11 H new ATOM 0 HD3 PRO A 14 -2.047 -9.520 -16.461 1.00 64.11 H new ATOM 239 N ASP A 15 -7.206 -8.508 -15.005 1.00 74.21 N ATOM 240 CA ASP A 15 -8.608 -8.910 -15.015 1.00 12.11 C ATOM 241 C ASP A 15 -9.313 -8.392 -16.265 1.00 12.34 C ATOM 242 O ASP A 15 -9.858 -7.288 -16.268 1.00 63.35 O ATOM 243 CB ASP A 15 -9.318 -8.393 -13.763 1.00 2.25 C ATOM 244 CG ASP A 15 -8.875 -9.116 -12.506 1.00 22.01 C ATOM 245 OD1 ASP A 15 -8.043 -10.041 -12.616 1.00 41.50 O ATOM 246 OD2 ASP A 15 -9.361 -8.758 -11.412 1.00 62.14 O ATOM 0 H ASP A 15 -7.051 -7.524 -14.787 1.00 74.21 H new ATOM 0 HA ASP A 15 -8.648 -9.999 -15.022 1.00 12.11 H new ATOM 0 HB2 ASP A 15 -9.123 -7.326 -13.653 1.00 2.25 H new ATOM 0 HB3 ASP A 15 -10.395 -8.509 -13.885 1.00 2.25 H new ATOM 251 N GLU A 16 -9.297 -9.196 -17.323 1.00 55.32 N ATOM 252 CA GLU A 16 -9.934 -8.816 -18.579 1.00 61.51 C ATOM 253 C GLU A 16 -11.427 -8.575 -18.381 1.00 15.41 C ATOM 254 O GLU A 16 -12.020 -7.710 -19.028 1.00 71.51 O ATOM 255 CB GLU A 16 -9.718 -9.903 -19.635 1.00 3.04 C ATOM 256 CG GLU A 16 -8.429 -9.738 -20.423 1.00 53.10 C ATOM 257 CD GLU A 16 -8.309 -10.734 -21.560 1.00 33.22 C ATOM 258 OE1 GLU A 16 -9.002 -11.772 -21.514 1.00 33.23 O ATOM 259 OE2 GLU A 16 -7.523 -10.476 -22.495 1.00 21.52 O ATOM 0 H GLU A 16 -8.851 -10.113 -17.336 1.00 55.32 H new ATOM 0 HA GLU A 16 -9.476 -7.888 -18.923 1.00 61.51 H new ATOM 0 HB2 GLU A 16 -9.713 -10.877 -19.146 1.00 3.04 H new ATOM 0 HB3 GLU A 16 -10.560 -9.898 -20.327 1.00 3.04 H new ATOM 0 HG2 GLU A 16 -8.380 -8.726 -20.825 1.00 53.10 H new ATOM 0 HG3 GLU A 16 -7.579 -9.855 -19.751 1.00 53.10 H new ATOM 266 N THR A 17 -12.032 -9.345 -17.481 1.00 44.13 N ATOM 267 CA THR A 17 -13.455 -9.217 -17.198 1.00 55.32 C ATOM 268 C THR A 17 -13.764 -7.885 -16.523 1.00 72.32 C ATOM 269 O THR A 17 -14.824 -7.298 -16.743 1.00 44.03 O ATOM 270 CB THR A 17 -13.955 -10.363 -16.299 1.00 22.31 C ATOM 271 OG1 THR A 17 -13.462 -10.190 -14.966 1.00 32.14 O ATOM 272 CG2 THR A 17 -13.504 -11.711 -16.840 1.00 70.55 C ATOM 0 H THR A 17 -11.557 -10.064 -16.936 1.00 44.13 H new ATOM 0 HA THR A 17 -13.973 -9.265 -18.156 1.00 55.32 H new ATOM 0 HB THR A 17 -15.045 -10.339 -16.289 1.00 22.31 H new ATOM 0 HG1 THR A 17 -13.786 -10.922 -14.400 1.00 32.14 H new ATOM 0 HG21 THR A 17 -13.869 -12.505 -16.189 1.00 70.55 H new ATOM 0 HG22 THR A 17 -13.904 -11.853 -17.844 1.00 70.55 H new ATOM 0 HG23 THR A 17 -12.415 -11.743 -16.876 1.00 70.55 H new ATOM 280 N ARG A 18 -12.832 -7.414 -15.701 1.00 55.21 N ATOM 281 CA ARG A 18 -13.006 -6.151 -14.993 1.00 70.15 C ATOM 282 C ARG A 18 -12.463 -4.987 -15.817 1.00 63.12 C ATOM 283 O ARG A 18 -11.748 -5.188 -16.799 1.00 73.14 O ATOM 284 CB ARG A 18 -12.302 -6.202 -13.636 1.00 52.42 C ATOM 285 CG ARG A 18 -12.746 -7.364 -12.763 1.00 1.10 C ATOM 286 CD ARG A 18 -12.405 -7.124 -11.301 1.00 23.04 C ATOM 287 NE ARG A 18 -13.422 -6.323 -10.625 1.00 74.24 N ATOM 288 CZ ARG A 18 -13.317 -5.910 -9.367 1.00 52.03 C ATOM 289 NH1 ARG A 18 -12.245 -6.220 -8.652 1.00 21.03 N ATOM 290 NH2 ARG A 18 -14.286 -5.185 -8.823 1.00 4.52 N ATOM 0 H ARG A 18 -11.949 -7.887 -15.509 1.00 55.21 H new ATOM 0 HA ARG A 18 -14.073 -5.995 -14.835 1.00 70.15 H new ATOM 0 HB2 ARG A 18 -11.226 -6.270 -13.797 1.00 52.42 H new ATOM 0 HB3 ARG A 18 -12.487 -5.268 -13.105 1.00 52.42 H new ATOM 0 HG2 ARG A 18 -13.821 -7.509 -12.868 1.00 1.10 H new ATOM 0 HG3 ARG A 18 -12.266 -8.281 -13.104 1.00 1.10 H new ATOM 0 HD2 ARG A 18 -12.300 -8.082 -10.791 1.00 23.04 H new ATOM 0 HD3 ARG A 18 -11.441 -6.619 -11.232 1.00 23.04 H new ATOM 0 HE ARG A 18 -14.259 -6.067 -11.148 1.00 74.24 H new ATOM 0 HH11 ARG A 18 -11.498 -6.777 -9.068 1.00 21.03 H new ATOM 0 HH12 ARG A 18 -12.167 -5.902 -7.686 1.00 21.03 H new ATOM 0 HH21 ARG A 18 -15.112 -4.945 -9.371 1.00 4.52 H new ATOM 0 HH22 ARG A 18 -14.205 -4.868 -7.857 1.00 4.52 H new ATOM 304 N VAL A 19 -12.807 -3.769 -15.410 1.00 62.32 N ATOM 305 CA VAL A 19 -12.353 -2.573 -16.110 1.00 35.04 C ATOM 306 C VAL A 19 -11.436 -1.735 -15.227 1.00 2.12 C ATOM 307 O VAL A 19 -11.564 -1.735 -14.002 1.00 42.32 O ATOM 308 CB VAL A 19 -13.542 -1.706 -16.566 1.00 4.52 C ATOM 309 CG1 VAL A 19 -13.063 -0.572 -17.461 1.00 31.44 C ATOM 310 CG2 VAL A 19 -14.580 -2.558 -17.280 1.00 42.30 C ATOM 0 H VAL A 19 -13.398 -3.585 -14.600 1.00 62.32 H new ATOM 0 HA VAL A 19 -11.800 -2.909 -16.987 1.00 35.04 H new ATOM 0 HB VAL A 19 -14.010 -1.268 -15.684 1.00 4.52 H new ATOM 0 HG11 VAL A 19 -13.916 0.030 -17.774 1.00 31.44 H new ATOM 0 HG12 VAL A 19 -12.360 0.053 -16.911 1.00 31.44 H new ATOM 0 HG13 VAL A 19 -12.570 -0.986 -18.340 1.00 31.44 H new ATOM 0 HG21 VAL A 19 -15.413 -1.929 -17.595 1.00 42.30 H new ATOM 0 HG22 VAL A 19 -14.128 -3.026 -18.154 1.00 42.30 H new ATOM 0 HG23 VAL A 19 -14.945 -3.331 -16.603 1.00 42.30 H new ATOM 320 N LYS A 20 -10.509 -1.020 -15.856 1.00 73.13 N ATOM 321 CA LYS A 20 -9.570 -0.175 -15.129 1.00 44.34 C ATOM 322 C LYS A 20 -10.014 1.284 -15.160 1.00 51.11 C ATOM 323 O LYS A 20 -10.397 1.847 -14.135 1.00 30.43 O ATOM 324 CB LYS A 20 -8.167 -0.304 -15.728 1.00 31.32 C ATOM 325 CG LYS A 20 -7.812 -1.721 -16.145 1.00 54.04 C ATOM 326 CD LYS A 20 -8.030 -2.708 -15.011 1.00 0.34 C ATOM 327 CE LYS A 20 -7.173 -2.365 -13.802 1.00 10.34 C ATOM 328 NZ LYS A 20 -6.832 -3.574 -13.002 1.00 54.10 N ATOM 0 H LYS A 20 -10.388 -1.009 -16.869 1.00 73.13 H new ATOM 0 HA LYS A 20 -9.548 -0.508 -14.091 1.00 44.34 H new ATOM 0 HB2 LYS A 20 -8.090 0.351 -16.596 1.00 31.32 H new ATOM 0 HB3 LYS A 20 -7.436 0.045 -14.999 1.00 31.32 H new ATOM 0 HG2 LYS A 20 -8.419 -2.011 -17.003 1.00 54.04 H new ATOM 0 HG3 LYS A 20 -6.770 -1.757 -16.464 1.00 54.04 H new ATOM 0 HD2 LYS A 20 -9.082 -2.708 -14.725 1.00 0.34 H new ATOM 0 HD3 LYS A 20 -7.792 -3.715 -15.353 1.00 0.34 H new ATOM 0 HE2 LYS A 20 -6.256 -1.878 -14.134 1.00 10.34 H new ATOM 0 HE3 LYS A 20 -7.703 -1.651 -13.172 1.00 10.34 H new ATOM 0 HZ1 LYS A 20 -6.247 -3.298 -12.187 1.00 54.10 H new ATOM 0 HZ2 LYS A 20 -7.706 -4.024 -12.664 1.00 54.10 H new ATOM 0 HZ3 LYS A 20 -6.304 -4.245 -13.595 1.00 54.10 H new ATOM 342 N GLN A 21 -9.962 1.889 -16.342 1.00 45.33 N ATOM 343 CA GLN A 21 -10.360 3.282 -16.505 1.00 42.50 C ATOM 344 C GLN A 21 -11.019 3.505 -17.862 1.00 53.10 C ATOM 345 O GLN A 21 -11.208 2.565 -18.634 1.00 34.43 O ATOM 346 CB GLN A 21 -9.147 4.202 -16.357 1.00 44.42 C ATOM 347 CG GLN A 21 -8.680 4.367 -14.920 1.00 5.10 C ATOM 348 CD GLN A 21 -9.627 5.212 -14.092 1.00 1.43 C ATOM 349 OE1 GLN A 21 -9.475 6.431 -14.005 1.00 12.31 O ATOM 350 NE2 GLN A 21 -10.612 4.568 -13.477 1.00 53.33 N ATOM 0 H GLN A 21 -9.648 1.437 -17.201 1.00 45.33 H new ATOM 0 HA GLN A 21 -11.085 3.520 -15.726 1.00 42.50 H new ATOM 0 HB2 GLN A 21 -8.326 3.805 -16.954 1.00 44.42 H new ATOM 0 HB3 GLN A 21 -9.393 5.182 -16.765 1.00 44.42 H new ATOM 0 HG2 GLN A 21 -8.579 3.384 -14.460 1.00 5.10 H new ATOM 0 HG3 GLN A 21 -7.691 4.825 -14.914 1.00 5.10 H new ATOM 0 HE21 GLN A 21 -10.701 3.557 -13.577 1.00 53.33 H new ATOM 0 HE22 GLN A 21 -11.280 5.085 -12.905 1.00 53.33 H new ATOM 359 N PHE A 22 -11.368 4.755 -18.147 1.00 2.51 N ATOM 360 CA PHE A 22 -12.008 5.102 -19.411 1.00 23.33 C ATOM 361 C PHE A 22 -11.003 5.062 -20.558 1.00 64.01 C ATOM 362 O PHE A 22 -11.273 4.493 -21.616 1.00 72.34 O ATOM 363 CB PHE A 22 -12.642 6.491 -19.322 1.00 14.04 C ATOM 364 CG PHE A 22 -13.170 6.995 -20.635 1.00 22.53 C ATOM 365 CD1 PHE A 22 -13.978 6.193 -21.425 1.00 62.20 C ATOM 366 CD2 PHE A 22 -12.858 8.269 -21.079 1.00 12.54 C ATOM 367 CE1 PHE A 22 -14.464 6.653 -22.634 1.00 44.51 C ATOM 368 CE2 PHE A 22 -13.342 8.736 -22.287 1.00 24.23 C ATOM 369 CZ PHE A 22 -14.146 7.927 -23.065 1.00 33.11 C ATOM 0 H PHE A 22 -11.218 5.545 -17.520 1.00 2.51 H new ATOM 0 HA PHE A 22 -12.788 4.367 -19.608 1.00 23.33 H new ATOM 0 HB2 PHE A 22 -13.457 6.464 -18.598 1.00 14.04 H new ATOM 0 HB3 PHE A 22 -11.902 7.196 -18.943 1.00 14.04 H new ATOM 0 HD1 PHE A 22 -14.231 5.197 -21.092 1.00 62.20 H new ATOM 0 HD2 PHE A 22 -12.229 8.906 -20.474 1.00 12.54 H new ATOM 0 HE1 PHE A 22 -15.092 6.018 -23.241 1.00 44.51 H new ATOM 0 HE2 PHE A 22 -13.092 9.732 -22.621 1.00 24.23 H new ATOM 0 HZ PHE A 22 -14.526 8.289 -24.009 1.00 33.11 H new ATOM 379 N LEU A 23 -9.842 5.671 -20.341 1.00 71.11 N ATOM 380 CA LEU A 23 -8.795 5.707 -21.356 1.00 72.54 C ATOM 381 C LEU A 23 -7.992 4.410 -21.356 1.00 70.22 C ATOM 382 O LEU A 23 -7.255 4.125 -22.300 1.00 13.33 O ATOM 383 CB LEU A 23 -7.864 6.896 -21.116 1.00 14.31 C ATOM 384 CG LEU A 23 -8.517 8.278 -21.157 1.00 13.41 C ATOM 385 CD1 LEU A 23 -9.490 8.375 -22.322 1.00 31.21 C ATOM 386 CD2 LEU A 23 -9.226 8.573 -19.843 1.00 25.24 C ATOM 0 H LEU A 23 -9.602 6.147 -19.471 1.00 71.11 H new ATOM 0 HA LEU A 23 -9.272 5.818 -22.330 1.00 72.54 H new ATOM 0 HB2 LEU A 23 -7.389 6.769 -20.143 1.00 14.31 H new ATOM 0 HB3 LEU A 23 -7.072 6.868 -21.864 1.00 14.31 H new ATOM 0 HG LEU A 23 -7.735 9.023 -21.300 1.00 13.41 H new ATOM 0 HD11 LEU A 23 -9.945 9.366 -22.335 1.00 31.21 H new ATOM 0 HD12 LEU A 23 -8.955 8.209 -23.257 1.00 31.21 H new ATOM 0 HD13 LEU A 23 -10.268 7.620 -22.210 1.00 31.21 H new ATOM 0 HD21 LEU A 23 -9.685 9.561 -19.891 1.00 25.24 H new ATOM 0 HD22 LEU A 23 -9.997 7.823 -19.669 1.00 25.24 H new ATOM 0 HD23 LEU A 23 -8.504 8.547 -19.026 1.00 25.24 H new ATOM 398 N GLU A 24 -8.142 3.627 -20.292 1.00 61.02 N ATOM 399 CA GLU A 24 -7.431 2.360 -20.171 1.00 20.41 C ATOM 400 C GLU A 24 -8.138 1.262 -20.960 1.00 70.51 C ATOM 401 O GLU A 24 -7.692 0.115 -20.986 1.00 50.31 O ATOM 402 CB GLU A 24 -7.316 1.953 -18.700 1.00 60.44 C ATOM 403 CG GLU A 24 -6.157 2.615 -17.974 1.00 52.03 C ATOM 404 CD GLU A 24 -5.721 1.842 -16.745 1.00 11.54 C ATOM 405 OE1 GLU A 24 -5.360 0.655 -16.888 1.00 14.34 O ATOM 406 OE2 GLU A 24 -5.741 2.424 -15.640 1.00 3.21 O ATOM 0 H GLU A 24 -8.749 3.848 -19.502 1.00 61.02 H new ATOM 0 HA GLU A 24 -6.431 2.493 -20.583 1.00 20.41 H new ATOM 0 HB2 GLU A 24 -8.245 2.204 -18.189 1.00 60.44 H new ATOM 0 HB3 GLU A 24 -7.201 0.871 -18.639 1.00 60.44 H new ATOM 0 HG2 GLU A 24 -5.313 2.711 -18.657 1.00 52.03 H new ATOM 0 HG3 GLU A 24 -6.446 3.624 -17.680 1.00 52.03 H new ATOM 413 N GLY A 25 -9.245 1.622 -21.603 1.00 31.43 N ATOM 414 CA GLY A 25 -9.997 0.656 -22.383 1.00 50.52 C ATOM 415 C GLY A 25 -9.560 0.618 -23.834 1.00 72.12 C ATOM 416 O GLY A 25 -10.119 -0.128 -24.639 1.00 20.24 O ATOM 0 H GLY A 25 -9.634 2.565 -21.598 1.00 31.43 H new ATOM 0 HA2 GLY A 25 -9.876 -0.334 -21.944 1.00 50.52 H new ATOM 0 HA3 GLY A 25 -11.058 0.900 -22.332 1.00 50.52 H new ATOM 420 N PHE A 26 -8.560 1.425 -24.171 1.00 24.11 N ATOM 421 CA PHE A 26 -8.050 1.482 -25.536 1.00 2.00 C ATOM 422 C PHE A 26 -6.557 1.168 -25.573 1.00 0.14 C ATOM 423 O PHE A 26 -5.888 1.159 -24.540 1.00 54.20 O ATOM 424 CB PHE A 26 -8.307 2.863 -26.142 1.00 0.44 C ATOM 425 CG PHE A 26 -9.734 3.315 -26.020 1.00 33.01 C ATOM 426 CD1 PHE A 26 -10.192 3.901 -24.851 1.00 32.54 C ATOM 427 CD2 PHE A 26 -10.618 3.154 -27.075 1.00 1.40 C ATOM 428 CE1 PHE A 26 -11.505 4.316 -24.736 1.00 14.10 C ATOM 429 CE2 PHE A 26 -11.932 3.568 -26.966 1.00 52.53 C ATOM 430 CZ PHE A 26 -12.376 4.151 -25.795 1.00 51.04 C ATOM 0 H PHE A 26 -8.086 2.049 -23.518 1.00 24.11 H new ATOM 0 HA PHE A 26 -8.576 0.731 -26.125 1.00 2.00 H new ATOM 0 HB2 PHE A 26 -7.660 3.592 -25.653 1.00 0.44 H new ATOM 0 HB3 PHE A 26 -8.028 2.846 -27.196 1.00 0.44 H new ATOM 0 HD1 PHE A 26 -9.515 4.035 -24.020 1.00 32.54 H new ATOM 0 HD2 PHE A 26 -10.276 2.700 -27.993 1.00 1.40 H new ATOM 0 HE1 PHE A 26 -11.850 4.769 -23.818 1.00 14.10 H new ATOM 0 HE2 PHE A 26 -12.611 3.436 -27.795 1.00 52.53 H new ATOM 0 HZ PHE A 26 -13.402 4.477 -25.708 1.00 51.04 H new ATOM 440 N ASN A 27 -6.042 0.910 -26.770 1.00 42.54 N ATOM 441 CA ASN A 27 -4.628 0.595 -26.943 1.00 35.33 C ATOM 442 C ASN A 27 -3.750 1.718 -26.400 1.00 51.03 C ATOM 443 O ASN A 27 -4.159 2.879 -26.368 1.00 35.15 O ATOM 444 CB ASN A 27 -4.315 0.355 -28.421 1.00 5.21 C ATOM 445 CG ASN A 27 -4.265 -1.120 -28.770 1.00 14.21 C ATOM 446 OD1 ASN A 27 -5.294 -1.795 -28.806 1.00 72.12 O ATOM 447 ND2 ASN A 27 -3.066 -1.627 -29.029 1.00 4.24 N ATOM 0 H ASN A 27 -6.582 0.913 -27.635 1.00 42.54 H new ATOM 0 HA ASN A 27 -4.412 -0.314 -26.381 1.00 35.33 H new ATOM 0 HB2 ASN A 27 -5.072 0.845 -29.034 1.00 5.21 H new ATOM 0 HB3 ASN A 27 -3.358 0.816 -28.666 1.00 5.21 H new ATOM 0 HD21 ASN A 27 -2.971 -2.614 -29.270 1.00 4.24 H new ATOM 0 HD22 ASN A 27 -2.240 -1.030 -28.987 1.00 4.24 H new ATOM 454 N ILE A 28 -2.541 1.364 -25.977 1.00 14.34 N ATOM 455 CA ILE A 28 -1.605 2.343 -25.437 1.00 61.55 C ATOM 456 C ILE A 28 -0.829 3.033 -26.553 1.00 44.44 C ATOM 457 O ILE A 28 -0.329 4.144 -26.379 1.00 1.21 O ATOM 458 CB ILE A 28 -0.608 1.689 -24.462 1.00 41.41 C ATOM 459 CG1 ILE A 28 0.235 2.760 -23.767 1.00 42.51 C ATOM 460 CG2 ILE A 28 0.284 0.701 -25.199 1.00 52.30 C ATOM 461 CD1 ILE A 28 -0.582 3.736 -22.950 1.00 1.43 C ATOM 0 H ILE A 28 -2.187 0.408 -25.998 1.00 14.34 H new ATOM 0 HA ILE A 28 -2.196 3.083 -24.897 1.00 61.55 H new ATOM 0 HB ILE A 28 -1.169 1.145 -23.702 1.00 41.41 H new ATOM 0 HG12 ILE A 28 0.962 2.273 -23.117 1.00 42.51 H new ATOM 0 HG13 ILE A 28 0.799 3.311 -24.519 1.00 42.51 H new ATOM 0 HG21 ILE A 28 0.983 0.247 -24.496 1.00 52.30 H new ATOM 0 HG22 ILE A 28 -0.331 -0.077 -25.652 1.00 52.30 H new ATOM 0 HG23 ILE A 28 0.840 1.223 -25.977 1.00 52.30 H new ATOM 0 HD11 ILE A 28 0.081 4.466 -22.486 1.00 1.43 H new ATOM 0 HD12 ILE A 28 -1.291 4.250 -23.599 1.00 1.43 H new ATOM 0 HD13 ILE A 28 -1.126 3.196 -22.175 1.00 1.43 H new ATOM 473 N GLU A 29 -0.734 2.368 -27.701 1.00 4.25 N ATOM 474 CA GLU A 29 -0.019 2.920 -28.846 1.00 22.34 C ATOM 475 C GLU A 29 -0.916 3.860 -29.646 1.00 21.32 C ATOM 476 O GLU A 29 -0.435 4.763 -30.331 1.00 1.35 O ATOM 477 CB GLU A 29 0.491 1.793 -29.747 1.00 43.51 C ATOM 478 CG GLU A 29 -0.615 1.048 -30.475 1.00 42.21 C ATOM 479 CD GLU A 29 -0.081 0.077 -31.510 1.00 23.12 C ATOM 480 OE1 GLU A 29 0.953 -0.569 -31.239 1.00 5.45 O ATOM 481 OE2 GLU A 29 -0.696 -0.038 -32.590 1.00 51.42 O ATOM 0 H GLU A 29 -1.143 1.448 -27.862 1.00 4.25 H new ATOM 0 HA GLU A 29 0.832 3.490 -28.472 1.00 22.34 H new ATOM 0 HB2 GLU A 29 1.181 2.210 -30.481 1.00 43.51 H new ATOM 0 HB3 GLU A 29 1.058 1.085 -29.143 1.00 43.51 H new ATOM 0 HG2 GLU A 29 -1.220 0.504 -29.750 1.00 42.21 H new ATOM 0 HG3 GLU A 29 -1.273 1.768 -30.963 1.00 42.21 H new ATOM 488 N THR A 30 -2.224 3.640 -29.555 1.00 0.01 N ATOM 489 CA THR A 30 -3.189 4.465 -30.271 1.00 30.13 C ATOM 490 C THR A 30 -3.141 5.910 -29.789 1.00 13.33 C ATOM 491 O THR A 30 -3.573 6.824 -30.492 1.00 11.23 O ATOM 492 CB THR A 30 -4.622 3.927 -30.102 1.00 74.43 C ATOM 493 OG1 THR A 30 -4.902 3.703 -28.716 1.00 12.52 O ATOM 494 CG2 THR A 30 -4.808 2.631 -30.877 1.00 73.13 C ATOM 0 H THR A 30 -2.639 2.897 -28.992 1.00 0.01 H new ATOM 0 HA THR A 30 -2.916 4.427 -31.326 1.00 30.13 H new ATOM 0 HB THR A 30 -5.314 4.671 -30.496 1.00 74.43 H new ATOM 0 HG1 THR A 30 -4.061 3.670 -28.214 1.00 12.52 H new ATOM 0 HG21 THR A 30 -5.828 2.270 -30.743 1.00 73.13 H new ATOM 0 HG22 THR A 30 -4.623 2.811 -31.936 1.00 73.13 H new ATOM 0 HG23 THR A 30 -4.107 1.883 -30.508 1.00 73.13 H new ATOM 502 N PHE A 31 -2.613 6.111 -28.586 1.00 32.01 N ATOM 503 CA PHE A 31 -2.509 7.447 -28.010 1.00 32.53 C ATOM 504 C PHE A 31 -1.256 8.159 -28.510 1.00 60.31 C ATOM 505 O PHE A 31 -0.269 7.519 -28.870 1.00 65.11 O ATOM 506 CB PHE A 31 -2.488 7.366 -26.482 1.00 21.41 C ATOM 507 CG PHE A 31 -3.682 6.663 -25.902 1.00 60.21 C ATOM 508 CD1 PHE A 31 -4.943 6.849 -26.445 1.00 11.03 C ATOM 509 CD2 PHE A 31 -3.543 5.816 -24.814 1.00 13.31 C ATOM 510 CE1 PHE A 31 -6.044 6.204 -25.914 1.00 30.52 C ATOM 511 CE2 PHE A 31 -4.640 5.168 -24.279 1.00 73.21 C ATOM 512 CZ PHE A 31 -5.892 5.363 -24.829 1.00 34.41 C ATOM 0 H PHE A 31 -2.251 5.366 -27.991 1.00 32.01 H new ATOM 0 HA PHE A 31 -3.381 8.020 -28.325 1.00 32.53 H new ATOM 0 HB2 PHE A 31 -1.583 6.848 -26.166 1.00 21.41 H new ATOM 0 HB3 PHE A 31 -2.437 8.375 -26.073 1.00 21.41 H new ATOM 0 HD1 PHE A 31 -5.067 7.506 -27.293 1.00 11.03 H new ATOM 0 HD2 PHE A 31 -2.567 5.661 -24.379 1.00 13.31 H new ATOM 0 HE1 PHE A 31 -7.022 6.357 -26.347 1.00 30.52 H new ATOM 0 HE2 PHE A 31 -4.519 4.510 -23.432 1.00 73.21 H new ATOM 0 HZ PHE A 31 -6.751 4.859 -24.411 1.00 34.41 H new ATOM 522 N GLU A 32 -1.305 9.487 -28.530 1.00 13.12 N ATOM 523 CA GLU A 32 -0.175 10.286 -28.987 1.00 43.14 C ATOM 524 C GLU A 32 0.014 11.517 -28.105 1.00 61.02 C ATOM 525 O GLU A 32 -0.926 12.275 -27.870 1.00 52.34 O ATOM 526 CB GLU A 32 -0.380 10.714 -30.442 1.00 3.30 C ATOM 527 CG GLU A 32 -1.581 11.622 -30.646 1.00 31.12 C ATOM 528 CD GLU A 32 -1.186 13.041 -31.006 1.00 61.34 C ATOM 529 OE1 GLU A 32 -0.770 13.264 -32.163 1.00 2.34 O ATOM 530 OE2 GLU A 32 -1.292 13.927 -30.133 1.00 71.12 O ATOM 0 H GLU A 32 -2.115 10.032 -28.235 1.00 13.12 H new ATOM 0 HA GLU A 32 0.722 9.671 -28.919 1.00 43.14 H new ATOM 0 HB2 GLU A 32 0.516 11.227 -30.791 1.00 3.30 H new ATOM 0 HB3 GLU A 32 -0.499 9.824 -31.060 1.00 3.30 H new ATOM 0 HG2 GLU A 32 -2.211 11.213 -31.436 1.00 31.12 H new ATOM 0 HG3 GLU A 32 -2.180 11.636 -29.735 1.00 31.12 H new ATOM 537 N MET A 33 1.236 11.708 -27.619 1.00 64.54 N ATOM 538 CA MET A 33 1.549 12.846 -26.764 1.00 1.24 C ATOM 539 C MET A 33 1.098 14.152 -27.410 1.00 43.21 C ATOM 540 O MET A 33 1.473 14.458 -28.542 1.00 60.33 O ATOM 541 CB MET A 33 3.051 12.898 -26.476 1.00 32.22 C ATOM 542 CG MET A 33 3.472 14.111 -25.662 1.00 63.32 C ATOM 543 SD MET A 33 5.264 14.287 -25.555 1.00 74.12 S ATOM 544 CE MET A 33 5.404 15.555 -24.298 1.00 45.34 C ATOM 0 H MET A 33 2.026 11.089 -27.803 1.00 64.54 H new ATOM 0 HA MET A 33 1.011 12.721 -25.825 1.00 1.24 H new ATOM 0 HB2 MET A 33 3.342 11.993 -25.942 1.00 32.22 H new ATOM 0 HB3 MET A 33 3.594 12.899 -27.421 1.00 32.22 H new ATOM 0 HG2 MET A 33 3.049 15.010 -26.111 1.00 63.32 H new ATOM 0 HG3 MET A 33 3.058 14.031 -24.657 1.00 63.32 H new ATOM 0 HE1 MET A 33 6.137 16.299 -24.611 1.00 45.34 H new ATOM 0 HE2 MET A 33 4.436 16.036 -24.157 1.00 45.34 H new ATOM 0 HE3 MET A 33 5.724 15.103 -23.359 1.00 45.34 H new ATOM 554 N VAL A 34 0.292 14.919 -26.684 1.00 14.42 N ATOM 555 CA VAL A 34 -0.210 16.193 -27.187 1.00 24.15 C ATOM 556 C VAL A 34 0.481 17.365 -26.499 1.00 42.30 C ATOM 557 O VAL A 34 0.568 18.460 -27.053 1.00 52.23 O ATOM 558 CB VAL A 34 -1.731 16.317 -26.983 1.00 73.12 C ATOM 559 CG1 VAL A 34 -2.078 16.266 -25.503 1.00 53.31 C ATOM 560 CG2 VAL A 34 -2.250 17.598 -27.617 1.00 55.44 C ATOM 0 H VAL A 34 -0.028 14.681 -25.745 1.00 14.42 H new ATOM 0 HA VAL A 34 0.009 16.221 -28.254 1.00 24.15 H new ATOM 0 HB VAL A 34 -2.216 15.473 -27.474 1.00 73.12 H new ATOM 0 HG11 VAL A 34 -3.157 16.355 -25.379 1.00 53.31 H new ATOM 0 HG12 VAL A 34 -1.742 15.318 -25.083 1.00 53.31 H new ATOM 0 HG13 VAL A 34 -1.584 17.088 -24.985 1.00 53.31 H new ATOM 0 HG21 VAL A 34 -3.327 17.670 -27.463 1.00 55.44 H new ATOM 0 HG22 VAL A 34 -1.760 18.456 -27.157 1.00 55.44 H new ATOM 0 HG23 VAL A 34 -2.036 17.588 -28.686 1.00 55.44 H new ATOM 570 N GLY A 35 0.973 17.127 -25.287 1.00 14.54 N ATOM 571 CA GLY A 35 1.650 18.173 -24.543 1.00 2.14 C ATOM 572 C GLY A 35 2.078 17.718 -23.162 1.00 23.24 C ATOM 573 O GLY A 35 1.796 16.590 -22.755 1.00 51.05 O ATOM 0 H GLY A 35 0.915 16.229 -24.807 1.00 14.54 H new ATOM 0 HA2 GLY A 35 2.526 18.503 -25.101 1.00 2.14 H new ATOM 0 HA3 GLY A 35 0.989 19.034 -24.450 1.00 2.14 H new ATOM 577 N THR A 36 2.764 18.596 -22.437 1.00 10.25 N ATOM 578 CA THR A 36 3.235 18.278 -21.094 1.00 75.15 C ATOM 579 C THR A 36 3.281 19.524 -20.218 1.00 44.31 C ATOM 580 O THR A 36 3.596 20.617 -20.691 1.00 51.15 O ATOM 581 CB THR A 36 4.634 17.635 -21.128 1.00 32.44 C ATOM 582 OG1 THR A 36 5.395 18.173 -22.215 1.00 32.14 O ATOM 583 CG2 THR A 36 4.531 16.124 -21.273 1.00 25.23 C ATOM 0 H THR A 36 3.006 19.534 -22.757 1.00 10.25 H new ATOM 0 HA THR A 36 2.526 17.566 -20.670 1.00 75.15 H new ATOM 0 HB THR A 36 5.136 17.861 -20.187 1.00 32.44 H new ATOM 0 HG1 THR A 36 6.284 17.760 -22.228 1.00 32.14 H new ATOM 0 HG21 THR A 36 5.531 15.692 -21.295 1.00 25.23 H new ATOM 0 HG22 THR A 36 3.977 15.714 -20.428 1.00 25.23 H new ATOM 0 HG23 THR A 36 4.011 15.882 -22.200 1.00 25.23 H new ATOM 591 N LEU A 37 2.968 19.354 -18.939 1.00 15.24 N ATOM 592 CA LEU A 37 2.975 20.466 -17.995 1.00 13.44 C ATOM 593 C LEU A 37 3.919 20.186 -16.830 1.00 42.42 C ATOM 594 O LEU A 37 3.995 19.062 -16.336 1.00 31.50 O ATOM 595 CB LEU A 37 1.561 20.724 -17.469 1.00 44.12 C ATOM 596 CG LEU A 37 1.371 22.004 -16.655 1.00 1.23 C ATOM 597 CD1 LEU A 37 1.903 21.822 -15.242 1.00 32.24 C ATOM 598 CD2 LEU A 37 2.058 23.178 -17.338 1.00 21.14 C ATOM 0 H LEU A 37 2.706 18.457 -18.531 1.00 15.24 H new ATOM 0 HA LEU A 37 3.329 21.353 -18.520 1.00 13.44 H new ATOM 0 HB2 LEU A 37 0.879 20.753 -18.318 1.00 44.12 H new ATOM 0 HB3 LEU A 37 1.265 19.877 -16.851 1.00 44.12 H new ATOM 0 HG LEU A 37 0.304 22.218 -16.595 1.00 1.23 H new ATOM 0 HD11 LEU A 37 1.759 22.743 -14.678 1.00 32.24 H new ATOM 0 HD12 LEU A 37 1.366 21.009 -14.753 1.00 32.24 H new ATOM 0 HD13 LEU A 37 2.966 21.583 -15.281 1.00 32.24 H new ATOM 0 HD21 LEU A 37 1.912 24.080 -16.744 1.00 21.14 H new ATOM 0 HD22 LEU A 37 3.124 22.972 -17.430 1.00 21.14 H new ATOM 0 HD23 LEU A 37 1.630 23.323 -18.330 1.00 21.14 H new ATOM 610 N SER A 38 4.636 21.218 -16.395 1.00 63.44 N ATOM 611 CA SER A 38 5.577 21.082 -15.290 1.00 3.33 C ATOM 612 C SER A 38 5.653 22.373 -14.480 1.00 2.12 C ATOM 613 O SER A 38 5.878 23.451 -15.029 1.00 31.31 O ATOM 614 CB SER A 38 6.966 20.715 -15.816 1.00 70.11 C ATOM 615 OG SER A 38 7.515 21.770 -16.586 1.00 5.45 O ATOM 0 H SER A 38 4.583 22.156 -16.791 1.00 63.44 H new ATOM 0 HA SER A 38 5.221 20.284 -14.639 1.00 3.33 H new ATOM 0 HB2 SER A 38 7.627 20.489 -14.979 1.00 70.11 H new ATOM 0 HB3 SER A 38 6.901 19.813 -16.424 1.00 70.11 H new ATOM 0 HG SER A 38 7.096 22.617 -16.326 1.00 5.45 H new ATOM 621 N ASN A 39 5.464 22.254 -13.170 1.00 14.23 N ATOM 622 CA ASN A 39 5.510 23.411 -12.283 1.00 34.03 C ATOM 623 C ASN A 39 5.740 22.979 -10.838 1.00 13.55 C ATOM 624 O ASN A 39 6.045 21.818 -10.567 1.00 15.42 O ATOM 625 CB ASN A 39 4.210 24.212 -12.387 1.00 21.20 C ATOM 626 CG ASN A 39 3.049 23.521 -11.698 1.00 54.35 C ATOM 627 OD1 ASN A 39 2.415 24.088 -10.808 1.00 74.22 O ATOM 628 ND2 ASN A 39 2.765 22.291 -12.109 1.00 32.43 N ATOM 0 H ASN A 39 5.278 21.369 -12.699 1.00 14.23 H new ATOM 0 HA ASN A 39 6.343 24.042 -12.592 1.00 34.03 H new ATOM 0 HB2 ASN A 39 4.357 25.197 -11.945 1.00 21.20 H new ATOM 0 HB3 ASN A 39 3.965 24.367 -13.438 1.00 21.20 H new ATOM 0 HD21 ASN A 39 1.994 21.776 -11.684 1.00 32.43 H new ATOM 0 HD22 ASN A 39 3.318 21.861 -12.850 1.00 32.43 H new ATOM 635 N ALA A 40 5.591 23.923 -9.913 1.00 73.23 N ATOM 636 CA ALA A 40 5.779 23.640 -8.496 1.00 3.11 C ATOM 637 C ALA A 40 4.930 22.453 -8.055 1.00 15.10 C ATOM 638 O ALA A 40 5.333 21.678 -7.188 1.00 52.13 O ATOM 639 CB ALA A 40 5.445 24.869 -7.663 1.00 41.15 C ATOM 0 H ALA A 40 5.341 24.890 -10.121 1.00 73.23 H new ATOM 0 HA ALA A 40 6.826 23.382 -8.339 1.00 3.11 H new ATOM 0 HB1 ALA A 40 5.590 24.643 -6.607 1.00 41.15 H new ATOM 0 HB2 ALA A 40 6.099 25.692 -7.951 1.00 41.15 H new ATOM 0 HB3 ALA A 40 4.407 25.153 -7.834 1.00 41.15 H new ATOM 645 N GLN A 41 3.752 22.318 -8.657 1.00 1.33 N ATOM 646 CA GLN A 41 2.845 21.226 -8.324 1.00 24.11 C ATOM 647 C GLN A 41 3.473 19.877 -8.659 1.00 75.32 C ATOM 648 O GLN A 41 3.187 18.870 -8.012 1.00 51.10 O ATOM 649 CB GLN A 41 1.522 21.387 -9.074 1.00 0.01 C ATOM 650 CG GLN A 41 0.349 21.730 -8.170 1.00 54.25 C ATOM 651 CD GLN A 41 -0.978 21.257 -8.731 1.00 62.53 C ATOM 652 OE1 GLN A 41 -1.021 20.520 -9.717 1.00 25.30 O ATOM 653 NE2 GLN A 41 -2.070 21.678 -8.105 1.00 31.12 N ATOM 0 H GLN A 41 3.404 22.951 -9.377 1.00 1.33 H new ATOM 0 HA GLN A 41 2.652 21.261 -7.252 1.00 24.11 H new ATOM 0 HB2 GLN A 41 1.632 22.169 -9.825 1.00 0.01 H new ATOM 0 HB3 GLN A 41 1.301 20.462 -9.607 1.00 0.01 H new ATOM 0 HG2 GLN A 41 0.506 21.279 -7.190 1.00 54.25 H new ATOM 0 HG3 GLN A 41 0.313 22.809 -8.022 1.00 54.25 H new ATOM 0 HE21 GLN A 41 -1.988 22.288 -7.292 1.00 31.12 H new ATOM 0 HE22 GLN A 41 -2.991 21.392 -8.437 1.00 31.12 H new ATOM 662 N GLY A 42 4.329 19.864 -9.676 1.00 61.22 N ATOM 663 CA GLY A 42 4.983 18.633 -10.080 1.00 73.30 C ATOM 664 C GLY A 42 5.074 18.492 -11.587 1.00 21.05 C ATOM 665 O GLY A 42 5.179 19.486 -12.306 1.00 14.00 O ATOM 0 H GLY A 42 4.581 20.684 -10.227 1.00 61.22 H new ATOM 0 HA2 GLY A 42 5.986 18.601 -9.654 1.00 73.30 H new ATOM 0 HA3 GLY A 42 4.436 17.783 -9.671 1.00 73.30 H new ATOM 669 N THR A 43 5.036 17.253 -12.067 1.00 63.01 N ATOM 670 CA THR A 43 5.119 16.985 -13.497 1.00 55.13 C ATOM 671 C THR A 43 3.894 16.218 -13.984 1.00 43.44 C ATOM 672 O THR A 43 3.521 15.195 -13.410 1.00 11.51 O ATOM 673 CB THR A 43 6.386 16.182 -13.847 1.00 34.15 C ATOM 674 OG1 THR A 43 6.883 15.520 -12.679 1.00 22.54 O ATOM 675 CG2 THR A 43 7.463 17.092 -14.417 1.00 71.34 C ATOM 0 H THR A 43 4.948 16.419 -11.486 1.00 63.01 H new ATOM 0 HA THR A 43 5.162 17.952 -13.997 1.00 55.13 H new ATOM 0 HB THR A 43 6.123 15.440 -14.601 1.00 34.15 H new ATOM 0 HG1 THR A 43 7.688 15.010 -12.909 1.00 22.54 H new ATOM 0 HG21 THR A 43 8.348 16.503 -14.657 1.00 71.34 H new ATOM 0 HG22 THR A 43 7.091 17.573 -15.322 1.00 71.34 H new ATOM 0 HG23 THR A 43 7.722 17.854 -13.682 1.00 71.34 H new ATOM 683 N PHE A 44 3.273 16.718 -15.047 1.00 40.53 N ATOM 684 CA PHE A 44 2.090 16.080 -15.612 1.00 33.02 C ATOM 685 C PHE A 44 2.252 15.864 -17.114 1.00 3.34 C ATOM 686 O PHE A 44 2.916 16.645 -17.795 1.00 54.04 O ATOM 687 CB PHE A 44 0.847 16.929 -15.339 1.00 14.32 C ATOM 688 CG PHE A 44 0.724 17.369 -13.908 1.00 14.11 C ATOM 689 CD1 PHE A 44 1.392 18.495 -13.456 1.00 2.25 C ATOM 690 CD2 PHE A 44 -0.061 16.657 -13.015 1.00 71.34 C ATOM 691 CE1 PHE A 44 1.281 18.901 -12.139 1.00 42.52 C ATOM 692 CE2 PHE A 44 -0.176 17.058 -11.698 1.00 13.51 C ATOM 693 CZ PHE A 44 0.495 18.183 -11.260 1.00 1.04 C ATOM 0 H PHE A 44 3.570 17.563 -15.535 1.00 40.53 H new ATOM 0 HA PHE A 44 1.970 15.108 -15.134 1.00 33.02 H new ATOM 0 HB2 PHE A 44 0.870 17.810 -15.981 1.00 14.32 H new ATOM 0 HB3 PHE A 44 -0.040 16.358 -15.613 1.00 14.32 H new ATOM 0 HD1 PHE A 44 2.006 19.062 -14.140 1.00 2.25 H new ATOM 0 HD2 PHE A 44 -0.589 15.778 -13.353 1.00 71.34 H new ATOM 0 HE1 PHE A 44 1.809 19.779 -11.798 1.00 42.52 H new ATOM 0 HE2 PHE A 44 -0.790 16.493 -11.012 1.00 13.51 H new ATOM 0 HZ PHE A 44 0.405 18.500 -10.232 1.00 1.04 H new ATOM 703 N ALA A 45 1.642 14.799 -17.622 1.00 21.43 N ATOM 704 CA ALA A 45 1.717 14.480 -19.042 1.00 43.01 C ATOM 705 C ALA A 45 0.351 14.607 -19.706 1.00 54.55 C ATOM 706 O ALA A 45 -0.658 14.150 -19.168 1.00 11.04 O ATOM 707 CB ALA A 45 2.274 13.078 -19.240 1.00 33.22 C ATOM 0 H ALA A 45 1.090 14.142 -17.071 1.00 21.43 H new ATOM 0 HA ALA A 45 2.390 15.196 -19.514 1.00 43.01 H new ATOM 0 HB1 ALA A 45 2.324 12.854 -20.305 1.00 33.22 H new ATOM 0 HB2 ALA A 45 3.274 13.019 -18.809 1.00 33.22 H new ATOM 0 HB3 ALA A 45 1.624 12.355 -18.747 1.00 33.22 H new ATOM 713 N LEU A 46 0.324 15.232 -20.879 1.00 31.14 N ATOM 714 CA LEU A 46 -0.920 15.420 -21.617 1.00 11.31 C ATOM 715 C LEU A 46 -0.911 14.617 -22.914 1.00 2.14 C ATOM 716 O LEU A 46 -0.088 14.855 -23.798 1.00 53.50 O ATOM 717 CB LEU A 46 -1.134 16.903 -21.924 1.00 14.51 C ATOM 718 CG LEU A 46 -0.768 17.880 -20.806 1.00 13.13 C ATOM 719 CD1 LEU A 46 -1.146 19.301 -21.194 1.00 3.44 C ATOM 720 CD2 LEU A 46 -1.450 17.481 -19.505 1.00 51.40 C ATOM 0 H LEU A 46 1.149 15.617 -21.339 1.00 31.14 H new ATOM 0 HA LEU A 46 -1.740 15.061 -20.995 1.00 11.31 H new ATOM 0 HB2 LEU A 46 -0.550 17.158 -22.808 1.00 14.51 H new ATOM 0 HB3 LEU A 46 -2.183 17.053 -22.181 1.00 14.51 H new ATOM 0 HG LEU A 46 0.311 17.842 -20.654 1.00 13.13 H new ATOM 0 HD11 LEU A 46 -0.878 19.982 -20.386 1.00 3.44 H new ATOM 0 HD12 LEU A 46 -0.612 19.585 -22.101 1.00 3.44 H new ATOM 0 HD13 LEU A 46 -2.220 19.356 -21.374 1.00 3.44 H new ATOM 0 HD21 LEU A 46 -1.178 18.187 -18.720 1.00 51.40 H new ATOM 0 HD22 LEU A 46 -2.531 17.490 -19.643 1.00 51.40 H new ATOM 0 HD23 LEU A 46 -1.130 16.479 -19.219 1.00 51.40 H new ATOM 732 N VAL A 47 -1.832 13.665 -23.021 1.00 15.23 N ATOM 733 CA VAL A 47 -1.933 12.829 -24.211 1.00 22.33 C ATOM 734 C VAL A 47 -3.307 12.958 -24.859 1.00 24.21 C ATOM 735 O VAL A 47 -4.279 13.340 -24.208 1.00 74.21 O ATOM 736 CB VAL A 47 -1.671 11.348 -23.879 1.00 62.52 C ATOM 737 CG1 VAL A 47 -2.838 10.760 -23.102 1.00 34.45 C ATOM 738 CG2 VAL A 47 -1.414 10.555 -25.152 1.00 20.42 C ATOM 0 H VAL A 47 -2.519 13.453 -22.298 1.00 15.23 H new ATOM 0 HA VAL A 47 -1.172 13.178 -24.909 1.00 22.33 H new ATOM 0 HB VAL A 47 -0.781 11.286 -23.253 1.00 62.52 H new ATOM 0 HG11 VAL A 47 -2.634 9.713 -22.877 1.00 34.45 H new ATOM 0 HG12 VAL A 47 -2.971 11.312 -22.172 1.00 34.45 H new ATOM 0 HG13 VAL A 47 -3.747 10.832 -23.700 1.00 34.45 H new ATOM 0 HG21 VAL A 47 -1.231 9.511 -24.899 1.00 20.42 H new ATOM 0 HG22 VAL A 47 -2.284 10.623 -25.805 1.00 20.42 H new ATOM 0 HG23 VAL A 47 -0.543 10.962 -25.665 1.00 20.42 H new ATOM 748 N LYS A 48 -3.380 12.636 -26.146 1.00 42.31 N ATOM 749 CA LYS A 48 -4.635 12.714 -26.884 1.00 62.14 C ATOM 750 C LYS A 48 -5.064 11.335 -27.375 1.00 23.20 C ATOM 751 O LYS A 48 -4.234 10.529 -27.796 1.00 14.51 O ATOM 752 CB LYS A 48 -4.493 13.668 -28.072 1.00 52.23 C ATOM 753 CG LYS A 48 -5.781 13.861 -28.855 1.00 22.23 C ATOM 754 CD LYS A 48 -5.510 14.393 -30.252 1.00 70.41 C ATOM 755 CE LYS A 48 -6.755 15.018 -30.861 1.00 53.43 C ATOM 756 NZ LYS A 48 -6.585 15.290 -32.315 1.00 43.44 N ATOM 0 H LYS A 48 -2.584 12.318 -26.700 1.00 42.31 H new ATOM 0 HA LYS A 48 -5.401 13.095 -26.209 1.00 62.14 H new ATOM 0 HB2 LYS A 48 -4.149 14.637 -27.710 1.00 52.23 H new ATOM 0 HB3 LYS A 48 -3.723 13.287 -28.743 1.00 52.23 H new ATOM 0 HG2 LYS A 48 -6.312 12.912 -28.923 1.00 22.23 H new ATOM 0 HG3 LYS A 48 -6.432 14.553 -28.321 1.00 22.23 H new ATOM 0 HD2 LYS A 48 -4.712 15.134 -30.212 1.00 70.41 H new ATOM 0 HD3 LYS A 48 -5.160 13.582 -30.890 1.00 70.41 H new ATOM 0 HE2 LYS A 48 -7.605 14.352 -30.713 1.00 53.43 H new ATOM 0 HE3 LYS A 48 -6.985 15.948 -30.342 1.00 53.43 H new ATOM 0 HZ1 LYS A 48 -7.455 15.716 -32.693 1.00 43.44 H new ATOM 0 HZ2 LYS A 48 -5.790 15.946 -32.455 1.00 43.44 H new ATOM 0 HZ3 LYS A 48 -6.391 14.399 -32.815 1.00 43.44 H new ATOM 770 N GLY A 49 -6.365 11.070 -27.319 1.00 35.12 N ATOM 771 CA GLY A 49 -6.881 9.788 -27.762 1.00 34.21 C ATOM 772 C GLY A 49 -8.380 9.667 -27.567 1.00 3.03 C ATOM 773 O GLY A 49 -9.117 10.633 -27.759 1.00 73.04 O ATOM 0 H GLY A 49 -7.071 11.720 -26.975 1.00 35.12 H new ATOM 0 HA2 GLY A 49 -6.643 9.649 -28.816 1.00 34.21 H new ATOM 0 HA3 GLY A 49 -6.381 8.990 -27.214 1.00 34.21 H new ATOM 777 N ALA A 50 -8.831 8.477 -27.185 1.00 30.23 N ATOM 778 CA ALA A 50 -10.251 8.233 -26.963 1.00 40.32 C ATOM 779 C ALA A 50 -10.849 9.282 -26.032 1.00 30.04 C ATOM 780 O ALA A 50 -10.500 9.351 -24.854 1.00 13.32 O ATOM 781 CB ALA A 50 -10.465 6.838 -26.397 1.00 30.54 C ATOM 0 H ALA A 50 -8.233 7.666 -27.023 1.00 30.23 H new ATOM 0 HA ALA A 50 -10.761 8.305 -27.924 1.00 40.32 H new ATOM 0 HB1 ALA A 50 -11.530 6.670 -26.236 1.00 30.54 H new ATOM 0 HB2 ALA A 50 -10.083 6.098 -27.100 1.00 30.54 H new ATOM 0 HB3 ALA A 50 -9.936 6.745 -25.449 1.00 30.54 H new ATOM 787 N GLY A 51 -11.752 10.098 -26.568 1.00 22.32 N ATOM 788 CA GLY A 51 -12.383 11.133 -25.770 1.00 71.31 C ATOM 789 C GLY A 51 -11.863 12.518 -26.101 1.00 34.40 C ATOM 790 O GLY A 51 -12.616 13.491 -26.085 1.00 62.23 O ATOM 0 H GLY A 51 -12.058 10.061 -27.540 1.00 22.32 H new ATOM 0 HA2 GLY A 51 -13.461 11.105 -25.931 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -12.213 10.927 -24.713 1.00 71.31 H new ATOM 794 N GLY A 52 -10.571 12.607 -26.400 1.00 41.43 N ATOM 795 CA GLY A 52 -9.973 13.888 -26.730 1.00 71.01 C ATOM 796 C GLY A 52 -8.622 14.084 -26.071 1.00 51.03 C ATOM 797 O GLY A 52 -7.603 13.614 -26.576 1.00 63.43 O ATOM 0 H GLY A 52 -9.928 11.816 -26.420 1.00 41.43 H new ATOM 0 HA2 GLY A 52 -9.861 13.965 -27.811 1.00 71.01 H new ATOM 0 HA3 GLY A 52 -10.644 14.689 -26.421 1.00 71.01 H new ATOM 801 N VAL A 53 -8.613 14.782 -24.940 1.00 42.42 N ATOM 802 CA VAL A 53 -7.377 15.041 -24.211 1.00 63.53 C ATOM 803 C VAL A 53 -7.413 14.407 -22.825 1.00 75.33 C ATOM 804 O VAL A 53 -8.426 14.471 -22.128 1.00 14.22 O ATOM 805 CB VAL A 53 -7.116 16.552 -24.066 1.00 61.50 C ATOM 806 CG1 VAL A 53 -6.556 17.124 -25.359 1.00 64.43 C ATOM 807 CG2 VAL A 53 -8.391 17.275 -23.662 1.00 12.44 C ATOM 0 H VAL A 53 -9.448 15.178 -24.509 1.00 42.42 H new ATOM 0 HA VAL A 53 -6.569 14.595 -24.791 1.00 63.53 H new ATOM 0 HB VAL A 53 -6.375 16.702 -23.280 1.00 61.50 H new ATOM 0 HG11 VAL A 53 -6.378 18.192 -25.237 1.00 64.43 H new ATOM 0 HG12 VAL A 53 -5.618 16.625 -25.601 1.00 64.43 H new ATOM 0 HG13 VAL A 53 -7.270 16.965 -26.167 1.00 64.43 H new ATOM 0 HG21 VAL A 53 -8.189 18.342 -23.564 1.00 12.44 H new ATOM 0 HG22 VAL A 53 -9.155 17.119 -24.424 1.00 12.44 H new ATOM 0 HG23 VAL A 53 -8.745 16.883 -22.708 1.00 12.44 H new ATOM 817 N HIS A 54 -6.302 13.794 -22.431 1.00 4.10 N ATOM 818 CA HIS A 54 -6.206 13.149 -21.126 1.00 62.34 C ATOM 819 C HIS A 54 -4.990 13.657 -20.357 1.00 33.31 C ATOM 820 O HIS A 54 -3.940 13.921 -20.942 1.00 3.34 O ATOM 821 CB HIS A 54 -6.123 11.631 -21.290 1.00 23.32 C ATOM 822 CG HIS A 54 -6.786 11.125 -22.534 1.00 32.04 C ATOM 823 ND1 HIS A 54 -6.192 10.223 -23.390 1.00 64.41 N ATOM 824 CD2 HIS A 54 -8.001 11.399 -23.063 1.00 15.11 C ATOM 825 CE1 HIS A 54 -7.012 9.965 -24.393 1.00 63.12 C ATOM 826 NE2 HIS A 54 -8.117 10.666 -24.218 1.00 73.12 N ATOM 0 H HIS A 54 -5.455 13.730 -22.996 1.00 4.10 H new ATOM 0 HA HIS A 54 -7.102 13.397 -20.558 1.00 62.34 H new ATOM 0 HB2 HIS A 54 -5.075 11.332 -21.300 1.00 23.32 H new ATOM 0 HB3 HIS A 54 -6.583 11.155 -20.424 1.00 23.32 H new ATOM 0 HD2 HIS A 54 -8.742 12.070 -22.653 1.00 15.11 H new ATOM 0 HE1 HIS A 54 -6.812 9.295 -25.216 1.00 63.12 H new ATOM 0 HE2 HIS A 54 -8.926 10.663 -24.840 1.00 73.12 H new ATOM 834 N ARG A 55 -5.141 13.791 -19.043 1.00 53.14 N ATOM 835 CA ARG A 55 -4.057 14.269 -18.195 1.00 3.34 C ATOM 836 C ARG A 55 -3.682 13.223 -17.149 1.00 73.54 C ATOM 837 O ARG A 55 -4.538 12.733 -16.411 1.00 45.42 O ATOM 838 CB ARG A 55 -4.458 15.574 -17.504 1.00 53.01 C ATOM 839 CG ARG A 55 -5.604 15.414 -16.518 1.00 72.25 C ATOM 840 CD ARG A 55 -6.113 16.762 -16.032 1.00 21.32 C ATOM 841 NE ARG A 55 -7.559 16.889 -16.187 1.00 55.30 N ATOM 842 CZ ARG A 55 -8.241 17.979 -15.852 1.00 33.13 C ATOM 843 NH1 ARG A 55 -7.611 19.030 -15.345 1.00 70.25 N ATOM 844 NH2 ARG A 55 -9.557 18.019 -16.023 1.00 65.10 N ATOM 0 H ARG A 55 -6.004 13.575 -18.543 1.00 53.14 H new ATOM 0 HA ARG A 55 -3.189 14.452 -18.828 1.00 3.34 H new ATOM 0 HB2 ARG A 55 -3.592 15.978 -16.979 1.00 53.01 H new ATOM 0 HB3 ARG A 55 -4.741 16.304 -18.262 1.00 53.01 H new ATOM 0 HG2 ARG A 55 -6.418 14.865 -16.991 1.00 72.25 H new ATOM 0 HG3 ARG A 55 -5.272 14.820 -15.666 1.00 72.25 H new ATOM 0 HD2 ARG A 55 -5.848 16.893 -14.983 1.00 21.32 H new ATOM 0 HD3 ARG A 55 -5.618 17.558 -16.587 1.00 21.32 H new ATOM 0 HE ARG A 55 -8.074 16.098 -16.574 1.00 55.30 H new ATOM 0 HH11 ARG A 55 -6.600 19.003 -15.211 1.00 70.25 H new ATOM 0 HH12 ARG A 55 -8.137 19.865 -15.089 1.00 70.25 H new ATOM 0 HH21 ARG A 55 -10.045 17.212 -16.412 1.00 65.10 H new ATOM 0 HH22 ARG A 55 -10.080 18.856 -15.765 1.00 65.10 H new ATOM 858 N VAL A 56 -2.398 12.883 -17.093 1.00 74.21 N ATOM 859 CA VAL A 56 -1.910 11.895 -16.138 1.00 72.25 C ATOM 860 C VAL A 56 -0.529 12.272 -15.615 1.00 12.34 C ATOM 861 O VAL A 56 0.323 12.747 -16.366 1.00 73.32 O ATOM 862 CB VAL A 56 -1.842 10.491 -16.769 1.00 1.10 C ATOM 863 CG1 VAL A 56 -3.238 9.907 -16.925 1.00 42.43 C ATOM 864 CG2 VAL A 56 -1.124 10.544 -18.109 1.00 70.11 C ATOM 0 H VAL A 56 -1.677 13.277 -17.698 1.00 74.21 H new ATOM 0 HA VAL A 56 -2.618 11.879 -15.309 1.00 72.25 H new ATOM 0 HB VAL A 56 -1.275 9.840 -16.104 1.00 1.10 H new ATOM 0 HG11 VAL A 56 -3.170 8.915 -17.372 1.00 42.43 H new ATOM 0 HG12 VAL A 56 -3.712 9.832 -15.947 1.00 42.43 H new ATOM 0 HG13 VAL A 56 -3.834 10.555 -17.568 1.00 42.43 H new ATOM 0 HG21 VAL A 56 -1.085 9.544 -18.541 1.00 70.11 H new ATOM 0 HG22 VAL A 56 -1.662 11.210 -18.784 1.00 70.11 H new ATOM 0 HG23 VAL A 56 -0.110 10.916 -17.964 1.00 70.11 H new ATOM 874 N ARG A 57 -0.314 12.058 -14.321 1.00 13.03 N ATOM 875 CA ARG A 57 0.964 12.377 -13.695 1.00 73.55 C ATOM 876 C ARG A 57 1.742 11.105 -13.370 1.00 35.22 C ATOM 877 O ARG A 57 1.258 9.995 -13.591 1.00 74.42 O ATOM 878 CB ARG A 57 0.743 13.192 -12.420 1.00 54.45 C ATOM 879 CG ARG A 57 0.060 12.412 -11.309 1.00 12.41 C ATOM 880 CD ARG A 57 -0.293 13.310 -10.134 1.00 1.45 C ATOM 881 NE ARG A 57 -0.919 12.566 -9.044 1.00 63.22 N ATOM 882 CZ ARG A 57 -1.469 13.142 -7.981 1.00 73.14 C ATOM 883 NH1 ARG A 57 -1.472 14.463 -7.866 1.00 23.30 N ATOM 884 NH2 ARG A 57 -2.020 12.396 -7.032 1.00 4.44 N ATOM 0 H ARG A 57 -1.008 11.665 -13.685 1.00 13.03 H new ATOM 0 HA ARG A 57 1.547 12.970 -14.400 1.00 73.55 H new ATOM 0 HB2 ARG A 57 1.706 13.554 -12.059 1.00 54.45 H new ATOM 0 HB3 ARG A 57 0.142 14.069 -12.659 1.00 54.45 H new ATOM 0 HG2 ARG A 57 -0.845 11.944 -11.695 1.00 12.41 H new ATOM 0 HG3 ARG A 57 0.715 11.609 -10.971 1.00 12.41 H new ATOM 0 HD2 ARG A 57 0.610 13.799 -9.767 1.00 1.45 H new ATOM 0 HD3 ARG A 57 -0.968 14.097 -10.470 1.00 1.45 H new ATOM 0 HE ARG A 57 -0.935 11.548 -9.102 1.00 63.22 H new ATOM 0 HH11 ARG A 57 -1.051 15.039 -8.595 1.00 23.30 H new ATOM 0 HH12 ARG A 57 -1.895 14.903 -7.049 1.00 23.30 H new ATOM 0 HH21 ARG A 57 -2.021 11.380 -7.119 1.00 4.44 H new ATOM 0 HH22 ARG A 57 -2.442 12.839 -6.216 1.00 4.44 H new ATOM 898 N VAL A 58 2.950 11.275 -12.843 1.00 61.12 N ATOM 899 CA VAL A 58 3.795 10.141 -12.487 1.00 1.55 C ATOM 900 C VAL A 58 3.040 9.147 -11.612 1.00 72.34 C ATOM 901 O VAL A 58 2.535 9.499 -10.547 1.00 62.50 O ATOM 902 CB VAL A 58 5.065 10.600 -11.745 1.00 33.55 C ATOM 903 CG1 VAL A 58 4.700 11.427 -10.522 1.00 15.42 C ATOM 904 CG2 VAL A 58 5.914 9.400 -11.352 1.00 70.02 C ATOM 0 H VAL A 58 3.366 12.187 -12.653 1.00 61.12 H new ATOM 0 HA VAL A 58 4.083 9.655 -13.419 1.00 1.55 H new ATOM 0 HB VAL A 58 5.650 11.228 -12.417 1.00 33.55 H new ATOM 0 HG11 VAL A 58 5.610 11.742 -10.011 1.00 15.42 H new ATOM 0 HG12 VAL A 58 4.135 12.306 -10.833 1.00 15.42 H new ATOM 0 HG13 VAL A 58 4.093 10.826 -9.845 1.00 15.42 H new ATOM 0 HG21 VAL A 58 6.807 9.742 -10.829 1.00 70.02 H new ATOM 0 HG22 VAL A 58 5.338 8.746 -10.697 1.00 70.02 H new ATOM 0 HG23 VAL A 58 6.206 8.852 -12.248 1.00 70.02 H new ATOM 914 N GLY A 59 2.967 7.901 -12.071 1.00 34.42 N ATOM 915 CA GLY A 59 2.271 6.873 -11.318 1.00 63.01 C ATOM 916 C GLY A 59 0.955 6.477 -11.956 1.00 54.55 C ATOM 917 O GLY A 59 0.539 5.321 -11.874 1.00 5.40 O ATOM 0 H GLY A 59 3.377 7.585 -12.950 1.00 34.42 H new ATOM 0 HA2 GLY A 59 2.910 5.994 -11.234 1.00 63.01 H new ATOM 0 HA3 GLY A 59 2.087 7.231 -10.305 1.00 63.01 H new ATOM 921 N ASP A 60 0.295 7.439 -12.593 1.00 44.12 N ATOM 922 CA ASP A 60 -0.983 7.186 -13.248 1.00 22.42 C ATOM 923 C ASP A 60 -0.854 6.066 -14.276 1.00 51.22 C ATOM 924 O ASP A 60 0.251 5.634 -14.603 1.00 65.02 O ATOM 925 CB ASP A 60 -1.496 8.459 -13.923 1.00 23.41 C ATOM 926 CG ASP A 60 -2.110 9.430 -12.935 1.00 12.52 C ATOM 927 OD1 ASP A 60 -1.599 9.524 -11.800 1.00 0.44 O ATOM 928 OD2 ASP A 60 -3.103 10.097 -13.297 1.00 30.45 O ATOM 0 H ASP A 60 0.624 8.401 -12.669 1.00 44.12 H new ATOM 0 HA ASP A 60 -1.698 6.875 -12.487 1.00 22.42 H new ATOM 0 HB2 ASP A 60 -0.673 8.947 -14.444 1.00 23.41 H new ATOM 0 HB3 ASP A 60 -2.238 8.194 -14.676 1.00 23.41 H new ATOM 933 N TYR A 61 -1.991 5.601 -14.781 1.00 61.54 N ATOM 934 CA TYR A 61 -2.006 4.529 -15.770 1.00 24.20 C ATOM 935 C TYR A 61 -2.827 4.927 -16.993 1.00 25.12 C ATOM 936 O TYR A 61 -3.724 5.766 -16.907 1.00 33.24 O ATOM 937 CB TYR A 61 -2.573 3.248 -15.156 1.00 20.10 C ATOM 938 CG TYR A 61 -1.788 2.749 -13.964 1.00 34.23 C ATOM 939 CD1 TYR A 61 -2.076 3.197 -12.681 1.00 2.34 C ATOM 940 CD2 TYR A 61 -0.760 1.828 -14.121 1.00 21.44 C ATOM 941 CE1 TYR A 61 -1.361 2.745 -11.589 1.00 21.52 C ATOM 942 CE2 TYR A 61 -0.041 1.368 -13.034 1.00 43.23 C ATOM 943 CZ TYR A 61 -0.345 1.830 -11.771 1.00 24.14 C ATOM 944 OH TYR A 61 0.369 1.375 -10.685 1.00 50.33 O ATOM 0 H TYR A 61 -2.914 5.949 -14.522 1.00 61.54 H new ATOM 0 HA TYR A 61 -0.979 4.348 -16.088 1.00 24.20 H new ATOM 0 HB2 TYR A 61 -3.605 3.426 -14.852 1.00 20.10 H new ATOM 0 HB3 TYR A 61 -2.595 2.469 -15.918 1.00 20.10 H new ATOM 0 HD1 TYR A 61 -2.873 3.911 -12.535 1.00 2.34 H new ATOM 0 HD2 TYR A 61 -0.519 1.465 -15.109 1.00 21.44 H new ATOM 0 HE1 TYR A 61 -1.596 3.106 -10.599 1.00 21.52 H new ATOM 0 HE2 TYR A 61 0.754 0.651 -13.173 1.00 43.23 H new ATOM 0 HH TYR A 61 1.048 0.735 -10.985 1.00 50.33 H new ATOM 954 N LEU A 62 -2.513 4.319 -18.131 1.00 64.52 N ATOM 955 CA LEU A 62 -3.221 4.607 -19.374 1.00 4.44 C ATOM 956 C LEU A 62 -3.144 3.423 -20.332 1.00 12.20 C ATOM 957 O LEU A 62 -2.229 2.605 -20.252 1.00 41.12 O ATOM 958 CB LEU A 62 -2.636 5.855 -20.039 1.00 31.15 C ATOM 959 CG LEU A 62 -1.119 6.017 -19.945 1.00 25.23 C ATOM 960 CD1 LEU A 62 -0.582 6.739 -21.171 1.00 0.12 C ATOM 961 CD2 LEU A 62 -0.739 6.764 -18.675 1.00 14.44 C ATOM 0 H LEU A 62 -1.773 3.623 -18.219 1.00 64.52 H new ATOM 0 HA LEU A 62 -4.269 4.788 -19.133 1.00 4.44 H new ATOM 0 HB2 LEU A 62 -2.916 5.846 -21.092 1.00 31.15 H new ATOM 0 HB3 LEU A 62 -3.103 6.733 -19.593 1.00 31.15 H new ATOM 0 HG LEU A 62 -0.669 5.025 -19.907 1.00 25.23 H new ATOM 0 HD11 LEU A 62 0.499 6.845 -21.086 1.00 0.12 H new ATOM 0 HD12 LEU A 62 -0.821 6.164 -22.066 1.00 0.12 H new ATOM 0 HD13 LEU A 62 -1.039 7.726 -21.241 1.00 0.12 H new ATOM 0 HD21 LEU A 62 0.345 6.870 -18.626 1.00 14.44 H new ATOM 0 HD22 LEU A 62 -1.200 7.752 -18.682 1.00 14.44 H new ATOM 0 HD23 LEU A 62 -1.089 6.206 -17.806 1.00 14.44 H new ATOM 973 N GLY A 63 -4.112 3.340 -21.240 1.00 61.30 N ATOM 974 CA GLY A 63 -4.134 2.254 -22.202 1.00 74.34 C ATOM 975 C GLY A 63 -4.514 0.928 -21.572 1.00 50.41 C ATOM 976 O GLY A 63 -4.614 0.821 -20.350 1.00 33.22 O ATOM 0 H GLY A 63 -4.881 4.005 -21.326 1.00 61.30 H new ATOM 0 HA2 GLY A 63 -4.841 2.491 -22.997 1.00 74.34 H new ATOM 0 HA3 GLY A 63 -3.152 2.164 -22.666 1.00 74.34 H new ATOM 980 N ARG A 64 -4.727 -0.083 -22.408 1.00 13.13 N ATOM 981 CA ARG A 64 -5.101 -1.407 -21.925 1.00 50.10 C ATOM 982 C ARG A 64 -3.866 -2.209 -21.526 1.00 3.31 C ATOM 983 O ARG A 64 -3.976 -3.303 -20.974 1.00 5.42 O ATOM 984 CB ARG A 64 -5.887 -2.161 -22.999 1.00 21.40 C ATOM 985 CG ARG A 64 -7.230 -1.530 -23.327 1.00 33.52 C ATOM 986 CD ARG A 64 -7.778 -2.043 -24.649 1.00 55.14 C ATOM 987 NE ARG A 64 -9.080 -2.685 -24.490 1.00 73.33 N ATOM 988 CZ ARG A 64 -9.239 -3.920 -24.026 1.00 42.22 C ATOM 989 NH1 ARG A 64 -8.182 -4.641 -23.677 1.00 35.00 N ATOM 990 NH2 ARG A 64 -10.456 -4.435 -23.910 1.00 70.11 N ATOM 0 H ARG A 64 -4.647 -0.011 -23.422 1.00 13.13 H new ATOM 0 HA ARG A 64 -5.731 -1.281 -21.044 1.00 50.10 H new ATOM 0 HB2 ARG A 64 -5.287 -2.211 -23.908 1.00 21.40 H new ATOM 0 HB3 ARG A 64 -6.049 -3.186 -22.666 1.00 21.40 H new ATOM 0 HG2 ARG A 64 -7.940 -1.747 -22.529 1.00 33.52 H new ATOM 0 HG3 ARG A 64 -7.123 -0.446 -23.372 1.00 33.52 H new ATOM 0 HD2 ARG A 64 -7.866 -1.214 -25.351 1.00 55.14 H new ATOM 0 HD3 ARG A 64 -7.074 -2.754 -25.082 1.00 55.14 H new ATOM 0 HE ARG A 64 -9.913 -2.156 -24.749 1.00 73.33 H new ATOM 0 HH11 ARG A 64 -7.245 -4.248 -23.765 1.00 35.00 H new ATOM 0 HH12 ARG A 64 -8.306 -5.589 -23.321 1.00 35.00 H new ATOM 0 HH21 ARG A 64 -11.271 -3.883 -24.177 1.00 70.11 H new ATOM 0 HH22 ARG A 64 -10.577 -5.383 -23.554 1.00 70.11 H new ATOM 1004 N ASN A 65 -2.691 -1.656 -21.810 1.00 23.30 N ATOM 1005 CA ASN A 65 -1.435 -2.321 -21.482 1.00 5.43 C ATOM 1006 C ASN A 65 -0.899 -1.837 -20.138 1.00 4.04 C ATOM 1007 O ASN A 65 0.297 -1.938 -19.862 1.00 0.22 O ATOM 1008 CB ASN A 65 -0.398 -2.067 -22.578 1.00 2.01 C ATOM 1009 CG ASN A 65 -0.809 -2.661 -23.911 1.00 50.02 C ATOM 1010 OD1 ASN A 65 -0.749 -1.995 -24.945 1.00 62.20 O ATOM 1011 ND2 ASN A 65 -1.230 -3.920 -23.893 1.00 34.20 N ATOM 0 H ASN A 65 -2.582 -0.750 -22.266 1.00 23.30 H new ATOM 0 HA ASN A 65 -1.626 -3.392 -21.413 1.00 5.43 H new ATOM 0 HB2 ASN A 65 -0.249 -0.993 -22.692 1.00 2.01 H new ATOM 0 HB3 ASN A 65 0.559 -2.491 -22.274 1.00 2.01 H new ATOM 0 HD21 ASN A 65 -1.520 -4.373 -24.760 1.00 34.20 H new ATOM 0 HD22 ASN A 65 -1.263 -4.434 -23.013 1.00 34.20 H new ATOM 1018 N ASP A 66 -1.791 -1.312 -19.305 1.00 72.42 N ATOM 1019 CA ASP A 66 -1.409 -0.815 -17.989 1.00 10.41 C ATOM 1020 C ASP A 66 -0.243 0.164 -18.095 1.00 73.33 C ATOM 1021 O ASP A 66 0.686 0.128 -17.290 1.00 31.13 O ATOM 1022 CB ASP A 66 -1.033 -1.978 -17.070 1.00 3.43 C ATOM 1023 CG ASP A 66 -2.247 -2.656 -16.467 1.00 54.31 C ATOM 1024 OD1 ASP A 66 -3.379 -2.218 -16.763 1.00 33.04 O ATOM 1025 OD2 ASP A 66 -2.066 -3.625 -15.701 1.00 13.33 O ATOM 0 H ASP A 66 -2.784 -1.220 -19.518 1.00 72.42 H new ATOM 0 HA ASP A 66 -2.264 -0.289 -17.564 1.00 10.41 H new ATOM 0 HB2 ASP A 66 -0.454 -2.710 -17.634 1.00 3.43 H new ATOM 0 HB3 ASP A 66 -0.390 -1.611 -16.270 1.00 3.43 H new ATOM 1030 N GLY A 67 -0.299 1.037 -19.097 1.00 32.33 N ATOM 1031 CA GLY A 67 0.758 2.011 -19.291 1.00 3.40 C ATOM 1032 C GLY A 67 0.921 2.935 -18.100 1.00 41.34 C ATOM 1033 O GLY A 67 0.205 3.928 -17.973 1.00 14.44 O ATOM 0 H GLY A 67 -1.058 1.086 -19.777 1.00 32.33 H new ATOM 0 HA2 GLY A 67 1.698 1.491 -19.475 1.00 3.40 H new ATOM 0 HA3 GLY A 67 0.543 2.604 -20.180 1.00 3.40 H new ATOM 1037 N LYS A 68 1.865 2.608 -17.224 1.00 40.24 N ATOM 1038 CA LYS A 68 2.120 3.415 -16.037 1.00 44.10 C ATOM 1039 C LYS A 68 3.174 4.481 -16.320 1.00 24.11 C ATOM 1040 O LYS A 68 4.227 4.192 -16.889 1.00 21.31 O ATOM 1041 CB LYS A 68 2.578 2.525 -14.879 1.00 52.11 C ATOM 1042 CG LYS A 68 2.683 3.258 -13.553 1.00 43.52 C ATOM 1043 CD LYS A 68 3.418 2.428 -12.514 1.00 11.52 C ATOM 1044 CE LYS A 68 4.891 2.276 -12.862 1.00 34.42 C ATOM 1045 NZ LYS A 68 5.676 1.729 -11.721 1.00 63.21 N ATOM 0 H LYS A 68 2.466 1.789 -17.314 1.00 40.24 H new ATOM 0 HA LYS A 68 1.191 3.912 -15.760 1.00 44.10 H new ATOM 0 HB2 LYS A 68 1.880 1.695 -14.771 1.00 52.11 H new ATOM 0 HB3 LYS A 68 3.549 2.095 -15.125 1.00 52.11 H new ATOM 0 HG2 LYS A 68 3.204 4.204 -13.699 1.00 43.52 H new ATOM 0 HG3 LYS A 68 1.684 3.498 -13.188 1.00 43.52 H new ATOM 0 HD2 LYS A 68 3.321 2.899 -11.536 1.00 11.52 H new ATOM 0 HD3 LYS A 68 2.957 1.443 -12.441 1.00 11.52 H new ATOM 0 HE2 LYS A 68 4.995 1.616 -13.724 1.00 34.42 H new ATOM 0 HE3 LYS A 68 5.298 3.245 -13.152 1.00 34.42 H new ATOM 0 HZ1 LYS A 68 6.675 1.640 -11.998 1.00 63.21 H new ATOM 0 HZ2 LYS A 68 5.598 2.371 -10.907 1.00 63.21 H new ATOM 0 HZ3 LYS A 68 5.304 0.793 -11.461 1.00 63.21 H new ATOM 1059 N VAL A 69 2.885 5.714 -15.918 1.00 10.43 N ATOM 1060 CA VAL A 69 3.809 6.823 -16.126 1.00 20.24 C ATOM 1061 C VAL A 69 4.995 6.736 -15.171 1.00 53.33 C ATOM 1062 O VAL A 69 4.823 6.689 -13.953 1.00 50.31 O ATOM 1063 CB VAL A 69 3.108 8.181 -15.934 1.00 43.15 C ATOM 1064 CG1 VAL A 69 4.094 9.323 -16.130 1.00 70.14 C ATOM 1065 CG2 VAL A 69 1.931 8.312 -16.889 1.00 64.04 C ATOM 0 H VAL A 69 2.018 5.971 -15.446 1.00 10.43 H new ATOM 0 HA VAL A 69 4.167 6.749 -17.153 1.00 20.24 H new ATOM 0 HB VAL A 69 2.727 8.233 -14.914 1.00 43.15 H new ATOM 0 HG11 VAL A 69 3.581 10.275 -15.991 1.00 70.14 H new ATOM 0 HG12 VAL A 69 4.901 9.236 -15.403 1.00 70.14 H new ATOM 0 HG13 VAL A 69 4.507 9.278 -17.138 1.00 70.14 H new ATOM 0 HG21 VAL A 69 1.447 9.277 -16.740 1.00 64.04 H new ATOM 0 HG22 VAL A 69 2.287 8.239 -17.917 1.00 64.04 H new ATOM 0 HG23 VAL A 69 1.215 7.513 -16.695 1.00 64.04 H new ATOM 1075 N VAL A 70 6.199 6.716 -15.733 1.00 43.10 N ATOM 1076 CA VAL A 70 7.415 6.637 -14.932 1.00 61.12 C ATOM 1077 C VAL A 70 8.295 7.863 -15.146 1.00 40.33 C ATOM 1078 O VAL A 70 9.038 8.270 -14.254 1.00 44.45 O ATOM 1079 CB VAL A 70 8.227 5.372 -15.268 1.00 33.54 C ATOM 1080 CG1 VAL A 70 7.350 4.132 -15.166 1.00 43.42 C ATOM 1081 CG2 VAL A 70 8.844 5.486 -16.653 1.00 54.53 C ATOM 0 H VAL A 70 6.359 6.753 -16.740 1.00 43.10 H new ATOM 0 HA VAL A 70 7.104 6.594 -13.888 1.00 61.12 H new ATOM 0 HB VAL A 70 9.035 5.277 -14.543 1.00 33.54 H new ATOM 0 HG11 VAL A 70 7.940 3.248 -15.407 1.00 43.42 H new ATOM 0 HG12 VAL A 70 6.961 4.044 -14.151 1.00 43.42 H new ATOM 0 HG13 VAL A 70 6.519 4.215 -15.867 1.00 43.42 H new ATOM 0 HG21 VAL A 70 9.414 4.583 -16.873 1.00 54.53 H new ATOM 0 HG22 VAL A 70 8.054 5.606 -17.394 1.00 54.53 H new ATOM 0 HG23 VAL A 70 9.507 6.351 -16.686 1.00 54.53 H new ATOM 1091 N GLY A 71 8.205 8.449 -16.336 1.00 51.35 N ATOM 1092 CA GLY A 71 8.998 9.624 -16.647 1.00 1.33 C ATOM 1093 C GLY A 71 8.227 10.646 -17.459 1.00 3.33 C ATOM 1094 O GLY A 71 7.449 10.287 -18.342 1.00 54.03 O ATOM 0 H GLY A 71 7.597 8.131 -17.090 1.00 51.35 H new ATOM 0 HA2 GLY A 71 9.339 10.084 -15.720 1.00 1.33 H new ATOM 0 HA3 GLY A 71 9.888 9.322 -17.199 1.00 1.33 H new ATOM 1098 N ILE A 72 8.443 11.923 -17.158 1.00 73.54 N ATOM 1099 CA ILE A 72 7.762 12.999 -17.867 1.00 34.11 C ATOM 1100 C ILE A 72 8.750 14.064 -18.331 1.00 30.44 C ATOM 1101 O ILE A 72 9.266 14.839 -17.526 1.00 31.13 O ATOM 1102 CB ILE A 72 6.687 13.662 -16.985 1.00 72.40 C ATOM 1103 CG1 ILE A 72 5.625 12.637 -16.580 1.00 63.20 C ATOM 1104 CG2 ILE A 72 6.048 14.832 -17.718 1.00 4.23 C ATOM 1105 CD1 ILE A 72 4.775 13.078 -15.409 1.00 62.12 C ATOM 0 H ILE A 72 9.083 12.237 -16.429 1.00 73.54 H new ATOM 0 HA ILE A 72 7.282 12.549 -18.736 1.00 34.11 H new ATOM 0 HB ILE A 72 7.163 14.041 -16.081 1.00 72.40 H new ATOM 0 HG12 ILE A 72 4.978 12.440 -17.434 1.00 63.20 H new ATOM 0 HG13 ILE A 72 6.116 11.697 -16.328 1.00 63.20 H new ATOM 0 HG21 ILE A 72 5.291 15.290 -17.082 1.00 4.23 H new ATOM 0 HG22 ILE A 72 6.812 15.570 -17.961 1.00 4.23 H new ATOM 0 HG23 ILE A 72 5.583 14.475 -18.637 1.00 4.23 H new ATOM 0 HD11 ILE A 72 4.044 12.303 -15.177 1.00 62.12 H new ATOM 0 HD12 ILE A 72 5.412 13.248 -14.541 1.00 62.12 H new ATOM 0 HD13 ILE A 72 4.255 14.002 -15.664 1.00 62.12 H new ATOM 1117 N SER A 73 9.008 14.096 -19.634 1.00 51.11 N ATOM 1118 CA SER A 73 9.936 15.065 -20.206 1.00 21.33 C ATOM 1119 C SER A 73 9.183 16.221 -20.856 1.00 74.34 C ATOM 1120 O SER A 73 7.970 16.353 -20.696 1.00 72.11 O ATOM 1121 CB SER A 73 10.843 14.388 -21.236 1.00 34.24 C ATOM 1122 OG SER A 73 11.111 13.044 -20.874 1.00 12.11 O ATOM 0 H SER A 73 8.588 13.462 -20.314 1.00 51.11 H new ATOM 0 HA SER A 73 10.550 15.463 -19.398 1.00 21.33 H new ATOM 0 HB2 SER A 73 10.369 14.416 -22.217 1.00 34.24 H new ATOM 0 HB3 SER A 73 11.780 14.939 -21.319 1.00 34.24 H new ATOM 0 HG SER A 73 11.896 12.723 -21.366 1.00 12.11 H new ATOM 1128 N GLU A 74 9.912 17.055 -21.591 1.00 55.02 N ATOM 1129 CA GLU A 74 9.312 18.201 -22.266 1.00 24.44 C ATOM 1130 C GLU A 74 8.922 17.846 -23.698 1.00 20.14 C ATOM 1131 O GLU A 74 8.091 18.515 -24.310 1.00 1.30 O ATOM 1132 CB GLU A 74 10.282 19.384 -22.268 1.00 64.10 C ATOM 1133 CG GLU A 74 11.599 19.090 -22.966 1.00 65.14 C ATOM 1134 CD GLU A 74 12.443 20.333 -23.168 1.00 3.50 C ATOM 1135 OE1 GLU A 74 12.375 21.242 -22.315 1.00 12.44 O ATOM 1136 OE2 GLU A 74 13.173 20.397 -24.180 1.00 13.12 O ATOM 0 H GLU A 74 10.917 16.959 -21.734 1.00 55.02 H new ATOM 0 HA GLU A 74 8.410 18.481 -21.721 1.00 24.44 H new ATOM 0 HB2 GLU A 74 9.804 20.234 -22.755 1.00 64.10 H new ATOM 0 HB3 GLU A 74 10.484 19.679 -21.238 1.00 64.10 H new ATOM 0 HG2 GLU A 74 12.162 18.364 -22.380 1.00 65.14 H new ATOM 0 HG3 GLU A 74 11.398 18.631 -23.934 1.00 65.14 H new ATOM 1143 N GLY A 75 9.529 16.787 -24.226 1.00 3.45 N ATOM 1144 CA GLY A 75 9.234 16.362 -25.581 1.00 75.11 C ATOM 1145 C GLY A 75 8.933 14.879 -25.671 1.00 33.03 C ATOM 1146 O GLY A 75 8.898 14.309 -26.762 1.00 14.43 O ATOM 0 H GLY A 75 10.220 16.216 -23.739 1.00 3.45 H new ATOM 0 HA2 GLY A 75 8.381 16.926 -25.958 1.00 75.11 H new ATOM 0 HA3 GLY A 75 10.081 16.597 -26.225 1.00 75.11 H new ATOM 1150 N LYS A 76 8.717 14.250 -24.520 1.00 54.23 N ATOM 1151 CA LYS A 76 8.418 12.824 -24.472 1.00 33.12 C ATOM 1152 C LYS A 76 7.976 12.408 -23.072 1.00 70.14 C ATOM 1153 O LYS A 76 8.302 13.070 -22.086 1.00 71.44 O ATOM 1154 CB LYS A 76 9.643 12.010 -24.894 1.00 41.43 C ATOM 1155 CG LYS A 76 10.884 12.307 -24.070 1.00 51.32 C ATOM 1156 CD LYS A 76 11.679 13.463 -24.655 1.00 72.44 C ATOM 1157 CE LYS A 76 13.118 13.454 -24.164 1.00 2.30 C ATOM 1158 NZ LYS A 76 13.943 14.490 -24.846 1.00 11.15 N ATOM 0 H LYS A 76 8.744 14.706 -23.608 1.00 54.23 H new ATOM 0 HA LYS A 76 7.601 12.626 -25.166 1.00 33.12 H new ATOM 0 HB2 LYS A 76 9.409 10.949 -24.813 1.00 41.43 H new ATOM 0 HB3 LYS A 76 9.858 12.210 -25.944 1.00 41.43 H new ATOM 0 HG2 LYS A 76 10.594 12.545 -23.047 1.00 51.32 H new ATOM 0 HG3 LYS A 76 11.513 11.418 -24.025 1.00 51.32 H new ATOM 0 HD2 LYS A 76 11.664 13.402 -25.743 1.00 72.44 H new ATOM 0 HD3 LYS A 76 11.206 14.406 -24.382 1.00 72.44 H new ATOM 0 HE2 LYS A 76 13.136 13.626 -23.088 1.00 2.30 H new ATOM 0 HE3 LYS A 76 13.555 12.470 -24.337 1.00 2.30 H new ATOM 0 HZ1 LYS A 76 14.917 14.452 -24.484 1.00 11.15 H new ATOM 0 HZ2 LYS A 76 13.947 14.311 -25.871 1.00 11.15 H new ATOM 0 HZ3 LYS A 76 13.541 15.431 -24.660 1.00 11.15 H new ATOM 1172 N ILE A 77 7.235 11.308 -22.993 1.00 53.04 N ATOM 1173 CA ILE A 77 6.751 10.803 -21.714 1.00 44.32 C ATOM 1174 C ILE A 77 7.064 9.319 -21.555 1.00 52.33 C ATOM 1175 O ILE A 77 6.482 8.475 -22.237 1.00 40.43 O ATOM 1176 CB ILE A 77 5.234 11.016 -21.562 1.00 54.12 C ATOM 1177 CG1 ILE A 77 4.894 12.505 -21.650 1.00 1.43 C ATOM 1178 CG2 ILE A 77 4.746 10.433 -20.244 1.00 64.22 C ATOM 1179 CD1 ILE A 77 3.503 12.778 -22.178 1.00 42.02 C ATOM 0 H ILE A 77 6.957 10.749 -23.800 1.00 53.04 H new ATOM 0 HA ILE A 77 7.268 11.366 -20.937 1.00 44.32 H new ATOM 0 HB ILE A 77 4.727 10.498 -22.376 1.00 54.12 H new ATOM 0 HG12 ILE A 77 4.992 12.951 -20.660 1.00 1.43 H new ATOM 0 HG13 ILE A 77 5.622 12.998 -22.295 1.00 1.43 H new ATOM 0 HG21 ILE A 77 3.672 10.592 -20.152 1.00 64.22 H new ATOM 0 HG22 ILE A 77 4.959 9.364 -20.218 1.00 64.22 H new ATOM 0 HG23 ILE A 77 5.258 10.925 -19.417 1.00 64.22 H new ATOM 0 HD11 ILE A 77 3.332 13.854 -22.213 1.00 42.02 H new ATOM 0 HD12 ILE A 77 3.407 12.362 -23.181 1.00 42.02 H new ATOM 0 HD13 ILE A 77 2.767 12.315 -21.521 1.00 42.02 H new ATOM 1191 N ASP A 78 7.984 9.008 -20.650 1.00 25.13 N ATOM 1192 CA ASP A 78 8.373 7.625 -20.398 1.00 73.13 C ATOM 1193 C ASP A 78 7.300 6.897 -19.593 1.00 45.32 C ATOM 1194 O ASP A 78 6.838 7.392 -18.565 1.00 43.41 O ATOM 1195 CB ASP A 78 9.708 7.575 -19.655 1.00 23.24 C ATOM 1196 CG ASP A 78 10.896 7.608 -20.596 1.00 4.33 C ATOM 1197 OD1 ASP A 78 10.845 8.363 -21.590 1.00 24.22 O ATOM 1198 OD2 ASP A 78 11.878 6.881 -20.338 1.00 33.34 O ATOM 0 H ASP A 78 8.475 9.695 -20.078 1.00 25.13 H new ATOM 0 HA ASP A 78 8.483 7.124 -21.360 1.00 73.13 H new ATOM 0 HB2 ASP A 78 9.769 8.418 -18.967 1.00 23.24 H new ATOM 0 HB3 ASP A 78 9.751 6.668 -19.052 1.00 23.24 H new ATOM 1203 N VAL A 79 6.908 5.719 -20.068 1.00 41.53 N ATOM 1204 CA VAL A 79 5.890 4.923 -19.393 1.00 43.30 C ATOM 1205 C VAL A 79 6.163 3.432 -19.554 1.00 54.04 C ATOM 1206 O VAL A 79 6.784 3.006 -20.529 1.00 15.13 O ATOM 1207 CB VAL A 79 4.482 5.238 -19.932 1.00 43.22 C ATOM 1208 CG1 VAL A 79 4.241 6.740 -19.950 1.00 72.14 C ATOM 1209 CG2 VAL A 79 4.298 4.643 -21.320 1.00 45.52 C ATOM 0 H VAL A 79 7.280 5.295 -20.918 1.00 41.53 H new ATOM 0 HA VAL A 79 5.932 5.185 -18.336 1.00 43.30 H new ATOM 0 HB VAL A 79 3.747 4.784 -19.267 1.00 43.22 H new ATOM 0 HG11 VAL A 79 3.241 6.944 -20.334 1.00 72.14 H new ATOM 0 HG12 VAL A 79 4.328 7.135 -18.938 1.00 72.14 H new ATOM 0 HG13 VAL A 79 4.980 7.219 -20.591 1.00 72.14 H new ATOM 0 HG21 VAL A 79 3.298 4.875 -21.686 1.00 45.52 H new ATOM 0 HG22 VAL A 79 5.039 5.065 -21.998 1.00 45.52 H new ATOM 0 HG23 VAL A 79 4.425 3.561 -21.272 1.00 45.52 H new ATOM 1219 N ILE A 80 5.694 2.643 -18.593 1.00 53.33 N ATOM 1220 CA ILE A 80 5.885 1.199 -18.630 1.00 23.22 C ATOM 1221 C ILE A 80 4.608 0.486 -19.060 1.00 31.54 C ATOM 1222 O ILE A 80 3.557 0.649 -18.441 1.00 73.23 O ATOM 1223 CB ILE A 80 6.327 0.655 -17.259 1.00 22.35 C ATOM 1224 CG1 ILE A 80 7.853 0.667 -17.148 1.00 42.21 C ATOM 1225 CG2 ILE A 80 5.787 -0.752 -17.048 1.00 10.23 C ATOM 1226 CD1 ILE A 80 8.530 -0.370 -18.017 1.00 4.25 C ATOM 0 H ILE A 80 5.179 2.980 -17.779 1.00 53.33 H new ATOM 0 HA ILE A 80 6.670 1.003 -19.360 1.00 23.22 H new ATOM 0 HB ILE A 80 5.920 1.301 -16.481 1.00 22.35 H new ATOM 0 HG12 ILE A 80 8.221 1.656 -17.422 1.00 42.21 H new ATOM 0 HG13 ILE A 80 8.135 0.499 -16.109 1.00 42.21 H new ATOM 0 HG21 ILE A 80 6.108 -1.123 -16.075 1.00 10.23 H new ATOM 0 HG22 ILE A 80 4.698 -0.734 -17.088 1.00 10.23 H new ATOM 0 HG23 ILE A 80 6.168 -1.409 -17.830 1.00 10.23 H new ATOM 0 HD11 ILE A 80 9.610 -0.304 -17.888 1.00 4.25 H new ATOM 0 HD12 ILE A 80 8.190 -1.365 -17.728 1.00 4.25 H new ATOM 0 HD13 ILE A 80 8.278 -0.190 -19.062 1.00 4.25 H new ATOM 1238 N GLU A 81 4.708 -0.307 -20.122 1.00 70.12 N ATOM 1239 CA GLU A 81 3.560 -1.046 -20.634 1.00 31.43 C ATOM 1240 C GLU A 81 3.683 -2.533 -20.312 1.00 62.14 C ATOM 1241 O GLU A 81 4.739 -3.001 -19.884 1.00 53.22 O ATOM 1242 CB GLU A 81 3.430 -0.849 -22.145 1.00 65.15 C ATOM 1243 CG GLU A 81 3.039 0.564 -22.544 1.00 32.14 C ATOM 1244 CD GLU A 81 3.993 1.171 -23.554 1.00 12.23 C ATOM 1245 OE1 GLU A 81 4.178 0.570 -24.632 1.00 72.41 O ATOM 1246 OE2 GLU A 81 4.554 2.249 -23.265 1.00 64.21 O ATOM 0 H GLU A 81 5.572 -0.454 -20.644 1.00 70.12 H new ATOM 0 HA GLU A 81 2.665 -0.659 -20.147 1.00 31.43 H new ATOM 0 HB2 GLU A 81 4.379 -1.102 -22.619 1.00 65.15 H new ATOM 0 HB3 GLU A 81 2.686 -1.545 -22.531 1.00 65.15 H new ATOM 0 HG2 GLU A 81 2.032 0.554 -22.962 1.00 32.14 H new ATOM 0 HG3 GLU A 81 3.009 1.193 -21.655 1.00 32.14 H new ATOM 1253 N ILE A 82 2.597 -3.270 -20.522 1.00 2.42 N ATOM 1254 CA ILE A 82 2.584 -4.703 -20.255 1.00 55.53 C ATOM 1255 C ILE A 82 2.301 -5.496 -21.527 1.00 4.52 C ATOM 1256 O ILE A 82 1.408 -5.151 -22.301 1.00 32.44 O ATOM 1257 CB ILE A 82 1.531 -5.067 -19.192 1.00 32.41 C ATOM 1258 CG1 ILE A 82 1.658 -4.143 -17.979 1.00 30.51 C ATOM 1259 CG2 ILE A 82 1.682 -6.523 -18.774 1.00 40.54 C ATOM 1260 CD1 ILE A 82 3.018 -4.197 -17.318 1.00 72.05 C ATOM 0 H ILE A 82 1.715 -2.899 -20.876 1.00 2.42 H new ATOM 0 HA ILE A 82 3.573 -4.964 -19.879 1.00 55.53 H new ATOM 0 HB ILE A 82 0.539 -4.934 -19.624 1.00 32.41 H new ATOM 0 HG12 ILE A 82 1.455 -3.118 -18.290 1.00 30.51 H new ATOM 0 HG13 ILE A 82 0.896 -4.411 -17.247 1.00 30.51 H new ATOM 0 HG21 ILE A 82 0.931 -6.765 -18.022 1.00 40.54 H new ATOM 0 HG22 ILE A 82 1.547 -7.167 -19.643 1.00 40.54 H new ATOM 0 HG23 ILE A 82 2.677 -6.681 -18.357 1.00 40.54 H new ATOM 0 HD11 ILE A 82 3.036 -3.517 -16.466 1.00 72.05 H new ATOM 0 HD12 ILE A 82 3.216 -5.213 -16.976 1.00 72.05 H new ATOM 0 HD13 ILE A 82 3.783 -3.900 -18.035 1.00 72.05 H new ATOM 1272 N VAL A 83 3.069 -6.561 -21.736 1.00 14.30 N ATOM 1273 CA VAL A 83 2.900 -7.405 -22.912 1.00 74.53 C ATOM 1274 C VAL A 83 2.958 -8.883 -22.541 1.00 5.11 C ATOM 1275 O VAL A 83 3.840 -9.329 -21.806 1.00 70.33 O ATOM 1276 CB VAL A 83 3.976 -7.111 -23.974 1.00 31.00 C ATOM 1277 CG1 VAL A 83 5.368 -7.315 -23.395 1.00 35.52 C ATOM 1278 CG2 VAL A 83 3.766 -7.985 -25.201 1.00 64.31 C ATOM 0 H VAL A 83 3.814 -6.859 -21.106 1.00 14.30 H new ATOM 0 HA VAL A 83 1.919 -7.176 -23.327 1.00 74.53 H new ATOM 0 HB VAL A 83 3.885 -6.069 -24.279 1.00 31.00 H new ATOM 0 HG11 VAL A 83 6.115 -7.103 -24.160 1.00 35.52 H new ATOM 0 HG12 VAL A 83 5.513 -6.642 -22.550 1.00 35.52 H new ATOM 0 HG13 VAL A 83 5.475 -8.347 -23.060 1.00 35.52 H new ATOM 0 HG21 VAL A 83 4.535 -7.764 -25.941 1.00 64.31 H new ATOM 0 HG22 VAL A 83 3.829 -9.035 -24.915 1.00 64.31 H new ATOM 0 HG23 VAL A 83 2.783 -7.783 -25.628 1.00 64.31 H new ATOM 1288 N PRO A 84 1.998 -9.662 -23.060 1.00 21.20 N ATOM 1289 CA PRO A 84 1.919 -11.102 -22.798 1.00 22.34 C ATOM 1290 C PRO A 84 3.047 -11.877 -23.470 1.00 45.33 C ATOM 1291 O PRO A 84 3.516 -11.501 -24.545 1.00 24.11 O ATOM 1292 CB PRO A 84 0.567 -11.498 -23.397 1.00 24.43 C ATOM 1293 CG PRO A 84 0.304 -10.476 -24.448 1.00 5.35 C ATOM 1294 CD PRO A 84 0.916 -9.198 -23.944 1.00 14.55 C ATOM 0 HA PRO A 84 2.013 -11.328 -21.736 1.00 22.34 H new ATOM 0 HB2 PRO A 84 0.601 -12.502 -23.821 1.00 24.43 H new ATOM 0 HB3 PRO A 84 -0.217 -11.498 -22.640 1.00 24.43 H new ATOM 0 HG2 PRO A 84 0.746 -10.772 -25.399 1.00 5.35 H new ATOM 0 HG3 PRO A 84 -0.766 -10.356 -24.617 1.00 5.35 H new ATOM 0 HD2 PRO A 84 1.299 -8.587 -24.761 1.00 14.55 H new ATOM 0 HD3 PRO A 84 0.190 -8.590 -23.405 1.00 14.55 H new ATOM 1302 N ASP A 85 3.478 -12.959 -22.832 1.00 5.13 N ATOM 1303 CA ASP A 85 4.551 -13.788 -23.370 1.00 3.54 C ATOM 1304 C ASP A 85 3.990 -14.901 -24.249 1.00 15.45 C ATOM 1305 O ASP A 85 4.670 -15.404 -25.141 1.00 41.45 O ATOM 1306 CB ASP A 85 5.380 -14.388 -22.233 1.00 11.44 C ATOM 1307 CG ASP A 85 6.427 -15.364 -22.732 1.00 53.11 C ATOM 1308 OD1 ASP A 85 7.157 -15.016 -23.684 1.00 0.03 O ATOM 1309 OD2 ASP A 85 6.516 -16.476 -22.171 1.00 2.43 O ATOM 0 H ASP A 85 3.101 -13.283 -21.941 1.00 5.13 H new ATOM 0 HA ASP A 85 5.193 -13.155 -23.983 1.00 3.54 H new ATOM 0 HB2 ASP A 85 5.869 -13.585 -21.681 1.00 11.44 H new ATOM 0 HB3 ASP A 85 4.717 -14.897 -21.533 1.00 11.44 H new ATOM 1314 N GLY A 86 2.742 -15.282 -23.988 1.00 5.50 N ATOM 1315 CA GLY A 86 2.111 -16.333 -24.763 1.00 31.40 C ATOM 1316 C GLY A 86 1.663 -17.498 -23.903 1.00 22.34 C ATOM 1317 O GLY A 86 0.587 -18.056 -24.114 1.00 11.11 O ATOM 0 H GLY A 86 2.158 -14.881 -23.254 1.00 5.50 H new ATOM 0 HA2 GLY A 86 1.250 -15.924 -25.292 1.00 31.40 H new ATOM 0 HA3 GLY A 86 2.809 -16.691 -25.520 1.00 31.40 H new ATOM 1321 N GLU A 87 2.492 -17.867 -22.931 1.00 20.40 N ATOM 1322 CA GLU A 87 2.176 -18.976 -22.038 1.00 14.32 C ATOM 1323 C GLU A 87 1.266 -18.516 -20.902 1.00 24.34 C ATOM 1324 O GLU A 87 0.517 -19.309 -20.333 1.00 15.41 O ATOM 1325 CB GLU A 87 3.459 -19.581 -21.466 1.00 20.24 C ATOM 1326 CG GLU A 87 4.559 -19.763 -22.498 1.00 3.42 C ATOM 1327 CD GLU A 87 5.406 -20.993 -22.237 1.00 64.04 C ATOM 1328 OE1 GLU A 87 5.716 -21.262 -21.058 1.00 45.12 O ATOM 1329 OE2 GLU A 87 5.759 -21.687 -23.214 1.00 32.30 O ATOM 0 H GLU A 87 3.386 -17.415 -22.742 1.00 20.40 H new ATOM 0 HA GLU A 87 1.651 -19.737 -22.616 1.00 14.32 H new ATOM 0 HB2 GLU A 87 3.827 -18.940 -20.664 1.00 20.24 H new ATOM 0 HB3 GLU A 87 3.227 -20.548 -21.020 1.00 20.24 H new ATOM 0 HG2 GLU A 87 4.113 -19.837 -23.490 1.00 3.42 H new ATOM 0 HG3 GLU A 87 5.198 -18.880 -22.502 1.00 3.42 H new ATOM 1336 N GLY A 88 1.340 -17.229 -20.576 1.00 70.20 N ATOM 1337 CA GLY A 88 0.520 -16.686 -19.509 1.00 52.22 C ATOM 1338 C GLY A 88 1.253 -15.644 -18.688 1.00 14.31 C ATOM 1339 O GLY A 88 0.639 -14.911 -17.913 1.00 44.55 O ATOM 0 H GLY A 88 1.953 -16.553 -21.032 1.00 70.20 H new ATOM 0 HA2 GLY A 88 -0.379 -16.241 -19.936 1.00 52.22 H new ATOM 0 HA3 GLY A 88 0.195 -17.496 -18.856 1.00 52.22 H new ATOM 1343 N ASN A 89 2.569 -15.579 -18.856 1.00 5.21 N ATOM 1344 CA ASN A 89 3.387 -14.620 -18.122 1.00 23.01 C ATOM 1345 C ASN A 89 3.518 -13.311 -18.895 1.00 75.44 C ATOM 1346 O ASN A 89 3.726 -13.314 -20.109 1.00 32.04 O ATOM 1347 CB ASN A 89 4.775 -15.205 -17.850 1.00 12.35 C ATOM 1348 CG ASN A 89 4.730 -16.695 -17.575 1.00 62.50 C ATOM 1349 OD1 ASN A 89 4.148 -17.138 -16.585 1.00 72.51 O ATOM 1350 ND2 ASN A 89 5.348 -17.477 -18.453 1.00 73.31 N ATOM 0 H ASN A 89 3.092 -16.179 -19.494 1.00 5.21 H new ATOM 0 HA ASN A 89 2.894 -14.413 -17.172 1.00 23.01 H new ATOM 0 HB2 ASN A 89 5.421 -15.016 -18.708 1.00 12.35 H new ATOM 0 HB3 ASN A 89 5.221 -14.694 -16.997 1.00 12.35 H new ATOM 0 HD21 ASN A 89 5.353 -18.488 -18.321 1.00 73.31 H new ATOM 0 HD22 ASN A 89 5.818 -17.066 -19.260 1.00 73.31 H new ATOM 1357 N TRP A 90 3.394 -12.196 -18.185 1.00 31.20 N ATOM 1358 CA TRP A 90 3.498 -10.880 -18.805 1.00 4.04 C ATOM 1359 C TRP A 90 4.896 -10.299 -18.617 1.00 73.53 C ATOM 1360 O TRP A 90 5.656 -10.750 -17.759 1.00 41.03 O ATOM 1361 CB TRP A 90 2.455 -9.931 -18.213 1.00 52.12 C ATOM 1362 CG TRP A 90 1.048 -10.424 -18.368 1.00 50.00 C ATOM 1363 CD1 TRP A 90 0.431 -11.388 -17.624 1.00 31.44 C ATOM 1364 CD2 TRP A 90 0.084 -9.978 -19.328 1.00 44.33 C ATOM 1365 NE1 TRP A 90 -0.858 -11.569 -18.063 1.00 53.33 N ATOM 1366 CE2 TRP A 90 -1.096 -10.715 -19.108 1.00 2.44 C ATOM 1367 CE3 TRP A 90 0.103 -9.026 -20.352 1.00 33.25 C ATOM 1368 CZ2 TRP A 90 -2.243 -10.529 -19.874 1.00 12.21 C ATOM 1369 CZ3 TRP A 90 -1.037 -8.843 -21.111 1.00 61.24 C ATOM 1370 CH2 TRP A 90 -2.197 -9.591 -20.869 1.00 51.31 C ATOM 0 H TRP A 90 3.221 -12.176 -17.180 1.00 31.20 H new ATOM 0 HA TRP A 90 3.312 -10.993 -19.873 1.00 4.04 H new ATOM 0 HB2 TRP A 90 2.667 -9.785 -17.154 1.00 52.12 H new ATOM 0 HB3 TRP A 90 2.546 -8.957 -18.694 1.00 52.12 H new ATOM 0 HD1 TRP A 90 0.889 -11.929 -16.809 1.00 31.44 H new ATOM 0 HE1 TRP A 90 -1.529 -12.232 -17.674 1.00 53.33 H new ATOM 0 HE3 TRP A 90 0.992 -8.445 -20.546 1.00 33.25 H new ATOM 0 HZ2 TRP A 90 -3.138 -11.105 -19.690 1.00 12.21 H new ATOM 0 HZ3 TRP A 90 -1.034 -8.111 -21.905 1.00 61.24 H new ATOM 0 HH2 TRP A 90 -3.072 -9.424 -21.480 1.00 51.31 H new ATOM 1381 N LEU A 91 5.229 -9.298 -19.424 1.00 55.00 N ATOM 1382 CA LEU A 91 6.536 -8.655 -19.347 1.00 32.25 C ATOM 1383 C LEU A 91 6.400 -7.137 -19.396 1.00 12.33 C ATOM 1384 O LEU A 91 5.435 -6.609 -19.946 1.00 55.55 O ATOM 1385 CB LEU A 91 7.431 -9.136 -20.490 1.00 51.31 C ATOM 1386 CG LEU A 91 8.328 -10.335 -20.182 1.00 2.13 C ATOM 1387 CD1 LEU A 91 9.269 -10.015 -19.031 1.00 21.45 C ATOM 1388 CD2 LEU A 91 7.487 -11.562 -19.861 1.00 1.33 C ATOM 0 H LEU A 91 4.612 -8.914 -20.139 1.00 55.00 H new ATOM 0 HA LEU A 91 6.993 -8.929 -18.396 1.00 32.25 H new ATOM 0 HB2 LEU A 91 6.796 -9.391 -21.339 1.00 51.31 H new ATOM 0 HB3 LEU A 91 8.064 -8.306 -20.803 1.00 51.31 H new ATOM 0 HG LEU A 91 8.928 -10.552 -21.066 1.00 2.13 H new ATOM 0 HD11 LEU A 91 9.900 -10.880 -18.826 1.00 21.45 H new ATOM 0 HD12 LEU A 91 9.895 -9.164 -19.299 1.00 21.45 H new ATOM 0 HD13 LEU A 91 8.687 -9.771 -18.142 1.00 21.45 H new ATOM 0 HD21 LEU A 91 8.142 -12.406 -19.644 1.00 1.33 H new ATOM 0 HD22 LEU A 91 6.861 -11.357 -18.993 1.00 1.33 H new ATOM 0 HD23 LEU A 91 6.855 -11.804 -20.716 1.00 1.33 H new ATOM 1400 N GLU A 92 7.374 -6.441 -18.818 1.00 23.32 N ATOM 1401 CA GLU A 92 7.363 -4.983 -18.798 1.00 31.35 C ATOM 1402 C GLU A 92 7.945 -4.417 -20.089 1.00 53.35 C ATOM 1403 O GLU A 92 8.913 -4.949 -20.633 1.00 11.15 O ATOM 1404 CB GLU A 92 8.155 -4.462 -17.597 1.00 0.42 C ATOM 1405 CG GLU A 92 7.762 -5.110 -16.280 1.00 61.21 C ATOM 1406 CD GLU A 92 8.060 -4.228 -15.083 1.00 53.14 C ATOM 1407 OE1 GLU A 92 7.950 -2.991 -15.215 1.00 74.14 O ATOM 1408 OE2 GLU A 92 8.403 -4.775 -14.014 1.00 75.13 O ATOM 0 H GLU A 92 8.180 -6.863 -18.358 1.00 23.32 H new ATOM 0 HA GLU A 92 6.327 -4.654 -18.712 1.00 31.35 H new ATOM 0 HB2 GLU A 92 9.217 -4.631 -17.772 1.00 0.42 H new ATOM 0 HB3 GLU A 92 8.012 -3.384 -17.519 1.00 0.42 H new ATOM 0 HG2 GLU A 92 6.698 -5.344 -16.298 1.00 61.21 H new ATOM 0 HG3 GLU A 92 8.294 -6.055 -16.171 1.00 61.21 H new ATOM 1415 N ARG A 93 7.346 -3.334 -20.576 1.00 65.31 N ATOM 1416 CA ARG A 93 7.803 -2.696 -21.805 1.00 22.13 C ATOM 1417 C ARG A 93 8.088 -1.215 -21.574 1.00 44.15 C ATOM 1418 O ARG A 93 7.217 -0.359 -21.727 1.00 50.31 O ATOM 1419 CB ARG A 93 6.757 -2.859 -22.909 1.00 20.42 C ATOM 1420 CG ARG A 93 6.778 -4.228 -23.570 1.00 41.33 C ATOM 1421 CD ARG A 93 5.817 -4.293 -24.747 1.00 12.42 C ATOM 1422 NE ARG A 93 4.513 -3.721 -24.420 1.00 70.25 N ATOM 1423 CZ ARG A 93 3.606 -3.390 -25.333 1.00 64.32 C ATOM 1424 NH1 ARG A 93 3.860 -3.573 -26.622 1.00 24.55 N ATOM 1425 NH2 ARG A 93 2.442 -2.875 -24.958 1.00 25.43 N ATOM 0 H ARG A 93 6.544 -2.881 -20.138 1.00 65.31 H new ATOM 0 HA ARG A 93 8.728 -3.183 -22.116 1.00 22.13 H new ATOM 0 HB2 ARG A 93 5.767 -2.683 -22.489 1.00 20.42 H new ATOM 0 HB3 ARG A 93 6.921 -2.095 -23.669 1.00 20.42 H new ATOM 0 HG2 ARG A 93 7.788 -4.453 -23.911 1.00 41.33 H new ATOM 0 HG3 ARG A 93 6.511 -4.991 -22.838 1.00 41.33 H new ATOM 0 HD2 ARG A 93 6.245 -3.758 -25.595 1.00 12.42 H new ATOM 0 HD3 ARG A 93 5.691 -5.331 -25.055 1.00 12.42 H new ATOM 0 HE ARG A 93 4.286 -3.567 -23.437 1.00 70.25 H new ATOM 0 HH11 ARG A 93 4.753 -3.969 -26.915 1.00 24.55 H new ATOM 0 HH12 ARG A 93 3.162 -3.318 -27.321 1.00 24.55 H new ATOM 0 HH21 ARG A 93 2.243 -2.733 -23.968 1.00 25.43 H new ATOM 0 HH22 ARG A 93 1.747 -2.621 -25.660 1.00 25.43 H new ATOM 1439 N PRO A 94 9.338 -0.904 -21.198 1.00 34.14 N ATOM 1440 CA PRO A 94 9.767 0.473 -20.938 1.00 54.42 C ATOM 1441 C PRO A 94 9.839 1.308 -22.212 1.00 74.25 C ATOM 1442 O PRO A 94 10.849 1.299 -22.915 1.00 63.44 O ATOM 1443 CB PRO A 94 11.162 0.302 -20.332 1.00 15.24 C ATOM 1444 CG PRO A 94 11.647 -1.004 -20.860 1.00 15.34 C ATOM 1445 CD PRO A 94 10.428 -1.874 -20.996 1.00 54.53 C ATOM 0 HA PRO A 94 9.068 1.002 -20.290 1.00 54.42 H new ATOM 0 HB2 PRO A 94 11.823 1.117 -20.625 1.00 15.24 H new ATOM 0 HB3 PRO A 94 11.123 0.299 -19.243 1.00 15.24 H new ATOM 0 HG2 PRO A 94 12.144 -0.876 -21.821 1.00 15.34 H new ATOM 0 HG3 PRO A 94 12.373 -1.453 -20.183 1.00 15.34 H new ATOM 0 HD2 PRO A 94 10.516 -2.561 -21.838 1.00 54.53 H new ATOM 0 HD3 PRO A 94 10.266 -2.481 -20.105 1.00 54.53 H new ATOM 1453 N ARG A 95 8.761 2.029 -22.504 1.00 73.51 N ATOM 1454 CA ARG A 95 8.702 2.868 -23.695 1.00 1.14 C ATOM 1455 C ARG A 95 8.420 4.321 -23.322 1.00 63.31 C ATOM 1456 O ARG A 95 8.371 4.671 -22.143 1.00 43.42 O ATOM 1457 CB ARG A 95 7.624 2.358 -24.652 1.00 72.51 C ATOM 1458 CG ARG A 95 7.823 0.912 -25.079 1.00 1.40 C ATOM 1459 CD ARG A 95 8.801 0.804 -26.239 1.00 34.12 C ATOM 1460 NE ARG A 95 10.186 0.739 -25.782 1.00 63.34 N ATOM 1461 CZ ARG A 95 11.220 0.556 -26.596 1.00 62.21 C ATOM 1462 NH1 ARG A 95 11.026 0.421 -27.901 1.00 14.23 N ATOM 1463 NH2 ARG A 95 12.452 0.508 -26.105 1.00 60.23 N ATOM 0 H ARG A 95 7.917 2.049 -21.932 1.00 73.51 H new ATOM 0 HA ARG A 95 9.671 2.819 -24.192 1.00 1.14 H new ATOM 0 HB2 ARG A 95 6.650 2.456 -24.174 1.00 72.51 H new ATOM 0 HB3 ARG A 95 7.609 2.991 -25.539 1.00 72.51 H new ATOM 0 HG2 ARG A 95 8.192 0.330 -24.235 1.00 1.40 H new ATOM 0 HG3 ARG A 95 6.864 0.482 -25.368 1.00 1.40 H new ATOM 0 HD2 ARG A 95 8.571 -0.085 -26.826 1.00 34.12 H new ATOM 0 HD3 ARG A 95 8.677 1.662 -26.899 1.00 34.12 H new ATOM 0 HE ARG A 95 10.370 0.840 -24.784 1.00 63.34 H new ATOM 0 HH11 ARG A 95 10.081 0.458 -28.283 1.00 14.23 H new ATOM 0 HH12 ARG A 95 11.822 0.281 -28.523 1.00 14.23 H new ATOM 0 HH21 ARG A 95 12.606 0.612 -25.102 1.00 60.23 H new ATOM 0 HH22 ARG A 95 13.245 0.367 -26.731 1.00 60.23 H new ATOM 1477 N SER A 96 8.236 5.161 -24.335 1.00 45.13 N ATOM 1478 CA SER A 96 7.964 6.577 -24.115 1.00 30.43 C ATOM 1479 C SER A 96 7.086 7.141 -25.228 1.00 21.33 C ATOM 1480 O SER A 96 7.026 6.588 -26.327 1.00 55.40 O ATOM 1481 CB SER A 96 9.274 7.363 -24.034 1.00 53.33 C ATOM 1482 OG SER A 96 9.027 8.754 -23.916 1.00 71.34 O ATOM 0 H SER A 96 8.270 4.886 -25.317 1.00 45.13 H new ATOM 0 HA SER A 96 7.430 6.677 -23.170 1.00 30.43 H new ATOM 0 HB2 SER A 96 9.856 7.020 -23.178 1.00 53.33 H new ATOM 0 HB3 SER A 96 9.873 7.171 -24.924 1.00 53.33 H new ATOM 0 HG SER A 96 9.513 9.108 -23.142 1.00 71.34 H new ATOM 1488 N LEU A 97 6.407 8.244 -24.935 1.00 0.22 N ATOM 1489 CA LEU A 97 5.531 8.885 -25.910 1.00 4.22 C ATOM 1490 C LEU A 97 6.066 10.259 -26.302 1.00 22.13 C ATOM 1491 O LEU A 97 5.861 11.243 -25.591 1.00 2.51 O ATOM 1492 CB LEU A 97 4.117 9.019 -25.344 1.00 35.51 C ATOM 1493 CG LEU A 97 3.646 7.880 -24.438 1.00 0.22 C ATOM 1494 CD1 LEU A 97 2.182 8.061 -24.070 1.00 14.41 C ATOM 1495 CD2 LEU A 97 3.865 6.535 -25.114 1.00 65.21 C ATOM 0 H LEU A 97 6.446 8.713 -24.030 1.00 0.22 H new ATOM 0 HA LEU A 97 5.501 8.259 -26.802 1.00 4.22 H new ATOM 0 HB2 LEU A 97 4.059 9.951 -24.782 1.00 35.51 H new ATOM 0 HB3 LEU A 97 3.420 9.105 -26.178 1.00 35.51 H new ATOM 0 HG LEU A 97 4.235 7.904 -23.521 1.00 0.22 H new ATOM 0 HD11 LEU A 97 1.865 7.241 -23.425 1.00 14.41 H new ATOM 0 HD12 LEU A 97 2.053 9.007 -23.544 1.00 14.41 H new ATOM 0 HD13 LEU A 97 1.577 8.065 -24.976 1.00 14.41 H new ATOM 0 HD21 LEU A 97 3.524 5.737 -24.455 1.00 65.21 H new ATOM 0 HD22 LEU A 97 3.302 6.501 -26.047 1.00 65.21 H new ATOM 0 HD23 LEU A 97 4.926 6.403 -25.326 1.00 65.21 H new ATOM 1507 N THR A 98 6.752 10.319 -27.439 1.00 53.12 N ATOM 1508 CA THR A 98 7.315 11.572 -27.927 1.00 30.32 C ATOM 1509 C THR A 98 6.246 12.435 -28.588 1.00 23.41 C ATOM 1510 O THR A 98 5.260 11.922 -29.118 1.00 61.34 O ATOM 1511 CB THR A 98 8.453 11.321 -28.935 1.00 15.42 C ATOM 1512 OG1 THR A 98 7.933 10.702 -30.116 1.00 73.53 O ATOM 1513 CG2 THR A 98 9.531 10.438 -28.325 1.00 40.43 C ATOM 0 H THR A 98 6.931 9.514 -28.039 1.00 53.12 H new ATOM 0 HA THR A 98 7.716 12.097 -27.060 1.00 30.32 H new ATOM 0 HB THR A 98 8.897 12.282 -29.195 1.00 15.42 H new ATOM 0 HG1 THR A 98 8.662 10.547 -30.752 1.00 73.53 H new ATOM 0 HG21 THR A 98 10.324 10.275 -29.055 1.00 40.43 H new ATOM 0 HG22 THR A 98 9.945 10.926 -27.443 1.00 40.43 H new ATOM 0 HG23 THR A 98 9.098 9.479 -28.039 1.00 40.43 H new ATOM 1521 N LEU A 99 6.448 13.747 -28.554 1.00 11.24 N ATOM 1522 CA LEU A 99 5.501 14.683 -29.151 1.00 20.52 C ATOM 1523 C LEU A 99 5.216 14.316 -30.604 1.00 30.43 C ATOM 1524 O LEU A 99 6.103 14.372 -31.455 1.00 41.45 O ATOM 1525 CB LEU A 99 6.045 16.110 -29.071 1.00 13.13 C ATOM 1526 CG LEU A 99 5.007 17.213 -28.857 1.00 71.42 C ATOM 1527 CD1 LEU A 99 4.384 17.099 -27.475 1.00 34.53 C ATOM 1528 CD2 LEU A 99 5.639 18.584 -29.048 1.00 35.20 C ATOM 0 H LEU A 99 7.259 14.187 -28.119 1.00 11.24 H new ATOM 0 HA LEU A 99 4.568 14.625 -28.591 1.00 20.52 H new ATOM 0 HB2 LEU A 99 6.768 16.157 -28.257 1.00 13.13 H new ATOM 0 HB3 LEU A 99 6.587 16.323 -29.992 1.00 13.13 H new ATOM 0 HG LEU A 99 4.218 17.092 -29.599 1.00 71.42 H new ATOM 0 HD11 LEU A 99 3.648 17.892 -27.341 1.00 34.53 H new ATOM 0 HD12 LEU A 99 3.895 16.130 -27.375 1.00 34.53 H new ATOM 0 HD13 LEU A 99 5.161 17.193 -26.717 1.00 34.53 H new ATOM 0 HD21 LEU A 99 4.886 19.357 -28.892 1.00 35.20 H new ATOM 0 HD22 LEU A 99 6.448 18.715 -28.329 1.00 35.20 H new ATOM 0 HD23 LEU A 99 6.036 18.664 -30.060 1.00 35.20 H new ATOM 1540 N LYS A 100 3.972 13.941 -30.881 1.00 14.04 N ATOM 1541 CA LYS A 100 3.567 13.568 -32.231 1.00 31.02 C ATOM 1542 C LYS A 100 3.704 14.749 -33.186 1.00 4.31 C ATOM 1543 O LYS A 100 3.446 15.893 -32.813 1.00 41.11 O ATOM 1544 CB LYS A 100 2.122 13.064 -32.231 1.00 61.43 C ATOM 1545 CG LYS A 100 1.848 12.005 -33.285 1.00 72.12 C ATOM 1546 CD LYS A 100 1.422 12.628 -34.604 1.00 35.01 C ATOM 1547 CE LYS A 100 0.557 11.676 -35.416 1.00 53.33 C ATOM 1548 NZ LYS A 100 0.165 12.265 -36.727 1.00 20.30 N ATOM 0 H LYS A 100 3.226 13.887 -30.188 1.00 14.04 H new ATOM 0 HA LYS A 100 4.225 12.769 -32.573 1.00 31.02 H new ATOM 0 HB2 LYS A 100 1.888 12.655 -31.248 1.00 61.43 H new ATOM 0 HB3 LYS A 100 1.451 13.908 -32.393 1.00 61.43 H new ATOM 0 HG2 LYS A 100 2.744 11.403 -33.438 1.00 72.12 H new ATOM 0 HG3 LYS A 100 1.068 11.331 -32.931 1.00 72.12 H new ATOM 0 HD2 LYS A 100 0.870 13.548 -34.412 1.00 35.01 H new ATOM 0 HD3 LYS A 100 2.306 12.901 -35.181 1.00 35.01 H new ATOM 0 HE2 LYS A 100 1.099 10.745 -35.583 1.00 53.33 H new ATOM 0 HE3 LYS A 100 -0.339 11.425 -34.848 1.00 53.33 H new ATOM 0 HZ1 LYS A 100 0.128 11.516 -37.447 1.00 20.30 H new ATOM 0 HZ2 LYS A 100 -0.771 12.710 -36.642 1.00 20.30 H new ATOM 0 HZ3 LYS A 100 0.864 12.981 -37.009 1.00 20.30 H new ATOM 1562 N GLU A 101 4.111 14.464 -34.419 1.00 23.52 N ATOM 1563 CA GLU A 101 4.282 15.504 -35.427 1.00 32.44 C ATOM 1564 C GLU A 101 3.083 15.550 -36.369 1.00 74.31 C ATOM 1565 O GLU A 101 2.669 14.527 -36.914 1.00 75.53 O ATOM 1566 CB GLU A 101 5.564 15.264 -36.226 1.00 42.54 C ATOM 1567 CG GLU A 101 6.171 16.535 -36.797 1.00 42.04 C ATOM 1568 CD GLU A 101 5.463 17.007 -38.052 1.00 61.04 C ATOM 1569 OE1 GLU A 101 5.669 16.390 -39.118 1.00 74.41 O ATOM 1570 OE2 GLU A 101 4.703 17.994 -37.968 1.00 53.21 O ATOM 0 H GLU A 101 4.328 13.522 -34.744 1.00 23.52 H new ATOM 0 HA GLU A 101 4.356 16.463 -34.915 1.00 32.44 H new ATOM 0 HB2 GLU A 101 6.298 14.778 -35.583 1.00 42.54 H new ATOM 0 HB3 GLU A 101 5.350 14.575 -37.043 1.00 42.54 H new ATOM 0 HG2 GLU A 101 6.131 17.322 -36.044 1.00 42.04 H new ATOM 0 HG3 GLU A 101 7.223 16.362 -37.022 1.00 42.04 H new ATOM 1577 N ARG A 102 2.529 16.744 -36.555 1.00 64.33 N ATOM 1578 CA ARG A 102 1.377 16.924 -37.430 1.00 30.21 C ATOM 1579 C ARG A 102 1.672 16.402 -38.833 1.00 24.41 C ATOM 1580 O ARG A 102 2.421 17.018 -39.591 1.00 4.14 O ATOM 1581 CB ARG A 102 0.986 18.401 -37.496 1.00 11.21 C ATOM 1582 CG ARG A 102 -0.450 18.632 -37.937 1.00 12.00 C ATOM 1583 CD ARG A 102 -1.437 18.248 -36.845 1.00 62.24 C ATOM 1584 NE ARG A 102 -2.758 17.938 -37.386 1.00 1.52 N ATOM 1585 CZ ARG A 102 -3.619 18.863 -37.797 1.00 65.12 C ATOM 1586 NH1 ARG A 102 -3.299 20.148 -37.731 1.00 25.25 N ATOM 1587 NH2 ARG A 102 -4.802 18.503 -38.277 1.00 70.40 N ATOM 0 H ARG A 102 2.860 17.601 -36.111 1.00 64.33 H new ATOM 0 HA ARG A 102 0.546 16.353 -37.016 1.00 30.21 H new ATOM 0 HB2 ARG A 102 1.132 18.851 -36.514 1.00 11.21 H new ATOM 0 HB3 ARG A 102 1.656 18.915 -38.185 1.00 11.21 H new ATOM 0 HG2 ARG A 102 -0.587 19.681 -38.200 1.00 12.00 H new ATOM 0 HG3 ARG A 102 -0.654 18.049 -38.835 1.00 12.00 H new ATOM 0 HD2 ARG A 102 -1.057 17.384 -36.300 1.00 62.24 H new ATOM 0 HD3 ARG A 102 -1.521 19.065 -36.129 1.00 62.24 H new ATOM 0 HE ARG A 102 -3.035 16.958 -37.452 1.00 1.52 H new ATOM 0 HH11 ARG A 102 -2.390 20.429 -37.364 1.00 25.25 H new ATOM 0 HH12 ARG A 102 -3.962 20.856 -38.047 1.00 25.25 H new ATOM 0 HH21 ARG A 102 -5.051 17.515 -38.331 1.00 70.40 H new ATOM 0 HH22 ARG A 102 -5.462 19.214 -38.592 1.00 70.40 H new ATOM 1601 N SER A 103 1.079 15.261 -39.172 1.00 10.45 N ATOM 1602 CA SER A 103 1.282 14.654 -40.482 1.00 32.25 C ATOM 1603 C SER A 103 0.080 13.800 -40.876 1.00 44.33 C ATOM 1604 O SER A 103 -0.858 13.630 -40.097 1.00 20.32 O ATOM 1605 CB SER A 103 2.551 13.799 -40.480 1.00 35.13 C ATOM 1606 OG SER A 103 2.379 12.634 -39.692 1.00 22.25 O ATOM 0 H SER A 103 0.454 14.739 -38.557 1.00 10.45 H new ATOM 0 HA SER A 103 1.393 15.454 -41.214 1.00 32.25 H new ATOM 0 HB2 SER A 103 2.805 13.517 -41.502 1.00 35.13 H new ATOM 0 HB3 SER A 103 3.386 14.383 -40.094 1.00 35.13 H new ATOM 0 HG SER A 103 3.203 12.104 -39.708 1.00 22.25 H new ATOM 1612 N LEU A 104 0.116 13.266 -42.092 1.00 42.31 N ATOM 1613 CA LEU A 104 -0.969 12.430 -42.593 1.00 30.33 C ATOM 1614 C LEU A 104 -0.625 10.950 -42.452 1.00 52.33 C ATOM 1615 O LEU A 104 0.503 10.538 -42.719 1.00 71.14 O ATOM 1616 CB LEU A 104 -1.260 12.761 -44.057 1.00 74.44 C ATOM 1617 CG LEU A 104 -2.085 14.024 -44.309 1.00 64.31 C ATOM 1618 CD1 LEU A 104 -1.805 14.575 -45.698 1.00 53.45 C ATOM 1619 CD2 LEU A 104 -3.569 13.735 -44.136 1.00 42.32 C ATOM 0 H LEU A 104 0.885 13.397 -42.749 1.00 42.31 H new ATOM 0 HA LEU A 104 -1.858 12.636 -41.997 1.00 30.33 H new ATOM 0 HB2 LEU A 104 -0.310 12.861 -44.582 1.00 74.44 H new ATOM 0 HB3 LEU A 104 -1.783 11.915 -44.503 1.00 74.44 H new ATOM 0 HG LEU A 104 -1.795 14.777 -43.577 1.00 64.31 H new ATOM 0 HD11 LEU A 104 -2.401 15.473 -45.860 1.00 53.45 H new ATOM 0 HD12 LEU A 104 -0.747 14.821 -45.785 1.00 53.45 H new ATOM 0 HD13 LEU A 104 -2.067 13.827 -46.446 1.00 53.45 H new ATOM 0 HD21 LEU A 104 -4.141 14.645 -44.319 1.00 42.32 H new ATOM 0 HD22 LEU A 104 -3.875 12.965 -44.845 1.00 42.32 H new ATOM 0 HD23 LEU A 104 -3.756 13.387 -43.120 1.00 42.32 H new ATOM 1631 N GLU A 105 -1.606 10.157 -42.034 1.00 14.04 N ATOM 1632 CA GLU A 105 -1.407 8.723 -41.860 1.00 0.14 C ATOM 1633 C GLU A 105 -2.721 8.029 -41.512 1.00 50.25 C ATOM 1634 O GLU A 105 -3.636 8.646 -40.966 1.00 31.33 O ATOM 1635 CB GLU A 105 -0.373 8.459 -40.763 1.00 62.23 C ATOM 1636 CG GLU A 105 -0.777 9.001 -39.402 1.00 64.44 C ATOM 1637 CD GLU A 105 0.102 8.478 -38.282 1.00 72.23 C ATOM 1638 OE1 GLU A 105 0.438 7.275 -38.303 1.00 51.41 O ATOM 1639 OE2 GLU A 105 0.453 9.272 -37.385 1.00 1.12 O ATOM 0 H GLU A 105 -2.546 10.483 -41.810 1.00 14.04 H new ATOM 0 HA GLU A 105 -1.040 8.316 -42.802 1.00 0.14 H new ATOM 0 HB2 GLU A 105 -0.208 7.385 -40.682 1.00 62.23 H new ATOM 0 HB3 GLU A 105 0.577 8.907 -41.056 1.00 62.23 H new ATOM 0 HG2 GLU A 105 -0.728 10.090 -39.419 1.00 64.44 H new ATOM 0 HG3 GLU A 105 -1.814 8.732 -39.201 1.00 64.44 H new ATOM 1646 N HIS A 106 -2.807 6.742 -41.835 1.00 11.43 N ATOM 1647 CA HIS A 106 -4.009 5.964 -41.557 1.00 63.53 C ATOM 1648 C HIS A 106 -3.793 5.038 -40.364 1.00 22.11 C ATOM 1649 O HIS A 106 -2.665 4.852 -39.905 1.00 51.32 O ATOM 1650 CB HIS A 106 -4.407 5.146 -42.786 1.00 60.23 C ATOM 1651 CG HIS A 106 -3.328 4.225 -43.268 1.00 55.14 C ATOM 1652 ND1 HIS A 106 -2.855 3.165 -42.524 1.00 11.53 N ATOM 1653 CD2 HIS A 106 -2.631 4.209 -44.429 1.00 34.15 C ATOM 1654 CE1 HIS A 106 -1.912 2.538 -43.204 1.00 53.43 C ATOM 1655 NE2 HIS A 106 -1.758 3.151 -44.364 1.00 3.51 N ATOM 0 H HIS A 106 -2.060 6.217 -42.289 1.00 11.43 H new ATOM 0 HA HIS A 106 -4.814 6.658 -41.315 1.00 63.53 H new ATOM 0 HB2 HIS A 106 -5.295 4.560 -42.550 1.00 60.23 H new ATOM 0 HB3 HIS A 106 -4.679 5.827 -43.593 1.00 60.23 H new ATOM 0 HD2 HIS A 106 -2.741 4.899 -45.252 1.00 34.15 H new ATOM 0 HE1 HIS A 106 -1.361 1.672 -42.869 1.00 53.43 H new ATOM 0 HE2 HIS A 106 -1.098 2.882 -45.093 1.00 3.51 H new ATOM 1663 N HIS A 107 -4.881 4.460 -39.865 1.00 22.22 N ATOM 1664 CA HIS A 107 -4.810 3.553 -38.724 1.00 51.42 C ATOM 1665 C HIS A 107 -5.826 2.424 -38.864 1.00 63.54 C ATOM 1666 O HIS A 107 -6.606 2.391 -39.817 1.00 65.50 O ATOM 1667 CB HIS A 107 -5.056 4.317 -37.423 1.00 10.42 C ATOM 1668 CG HIS A 107 -3.811 4.891 -36.820 1.00 65.05 C ATOM 1669 ND1 HIS A 107 -3.586 6.247 -36.703 1.00 75.53 N ATOM 1670 CD2 HIS A 107 -2.719 4.284 -36.298 1.00 40.24 C ATOM 1671 CE1 HIS A 107 -2.410 6.449 -36.137 1.00 33.21 C ATOM 1672 NE2 HIS A 107 -1.864 5.274 -35.881 1.00 24.02 N ATOM 0 H HIS A 107 -5.822 4.603 -40.232 1.00 22.22 H new ATOM 0 HA HIS A 107 -3.811 3.118 -38.698 1.00 51.42 H new ATOM 0 HB2 HIS A 107 -5.763 5.124 -37.614 1.00 10.42 H new ATOM 0 HB3 HIS A 107 -5.524 3.648 -36.701 1.00 10.42 H new ATOM 0 HD2 HIS A 107 -2.552 3.220 -36.224 1.00 40.24 H new ATOM 0 HE1 HIS A 107 -1.970 7.411 -35.920 1.00 33.21 H new ATOM 0 HE2 HIS A 107 -0.954 5.126 -35.444 1.00 24.02 H new ATOM 1680 N HIS A 108 -5.810 1.499 -37.910 1.00 33.51 N ATOM 1681 CA HIS A 108 -6.730 0.367 -37.927 1.00 71.43 C ATOM 1682 C HIS A 108 -7.605 0.358 -36.677 1.00 65.21 C ATOM 1683 O HIS A 108 -7.265 0.972 -35.665 1.00 50.12 O ATOM 1684 CB HIS A 108 -5.954 -0.947 -38.030 1.00 40.32 C ATOM 1685 CG HIS A 108 -5.615 -1.334 -39.437 1.00 10.51 C ATOM 1686 ND1 HIS A 108 -4.775 -2.382 -39.747 1.00 71.15 N ATOM 1687 CD2 HIS A 108 -6.009 -0.806 -40.620 1.00 35.35 C ATOM 1688 CE1 HIS A 108 -4.666 -2.482 -41.060 1.00 72.02 C ATOM 1689 NE2 HIS A 108 -5.406 -1.538 -41.613 1.00 0.42 N ATOM 0 H HIS A 108 -5.170 1.511 -37.116 1.00 33.51 H new ATOM 0 HA HIS A 108 -7.375 0.469 -38.800 1.00 71.43 H new ATOM 0 HB2 HIS A 108 -5.033 -0.862 -37.453 1.00 40.32 H new ATOM 0 HB3 HIS A 108 -6.542 -1.744 -37.575 1.00 40.32 H new ATOM 0 HD2 HIS A 108 -6.674 0.034 -40.757 1.00 35.35 H new ATOM 0 HE1 HIS A 108 -4.073 -3.212 -41.591 1.00 72.02 H new ATOM 0 HE2 HIS A 108 -5.512 -1.379 -42.615 1.00 0.42 H new ATOM 1697 N HIS A 109 -8.732 -0.342 -36.754 1.00 52.23 N ATOM 1698 CA HIS A 109 -9.656 -0.430 -35.629 1.00 24.23 C ATOM 1699 C HIS A 109 -9.969 -1.886 -35.296 1.00 52.22 C ATOM 1700 O HIS A 109 -9.994 -2.744 -36.179 1.00 40.44 O ATOM 1701 CB HIS A 109 -10.949 0.323 -35.942 1.00 45.42 C ATOM 1702 CG HIS A 109 -11.784 -0.333 -36.998 1.00 22.44 C ATOM 1703 ND1 HIS A 109 -13.082 -0.745 -36.782 1.00 21.52 N ATOM 1704 CD2 HIS A 109 -11.500 -0.647 -38.283 1.00 62.43 C ATOM 1705 CE1 HIS A 109 -13.560 -1.286 -37.889 1.00 24.15 C ATOM 1706 NE2 HIS A 109 -12.619 -1.239 -38.815 1.00 14.50 N ATOM 0 H HIS A 109 -9.028 -0.857 -37.584 1.00 52.23 H new ATOM 0 HA HIS A 109 -9.179 0.029 -34.763 1.00 24.23 H new ATOM 0 HB2 HIS A 109 -11.538 0.413 -35.029 1.00 45.42 H new ATOM 0 HB3 HIS A 109 -10.702 1.335 -36.263 1.00 45.42 H new ATOM 0 HD2 HIS A 109 -10.567 -0.466 -38.795 1.00 62.43 H new ATOM 0 HE1 HIS A 109 -14.551 -1.697 -38.015 1.00 24.15 H new ATOM 0 HE2 HIS A 109 -12.709 -1.586 -39.770 1.00 14.50 H new ATOM 1714 N HIS A 110 -10.207 -2.158 -34.017 1.00 13.40 N ATOM 1715 CA HIS A 110 -10.519 -3.510 -33.568 1.00 11.11 C ATOM 1716 C HIS A 110 -12.014 -3.791 -33.687 1.00 10.34 C ATOM 1717 O HIS A 110 -12.430 -4.698 -34.408 1.00 14.12 O ATOM 1718 CB HIS A 110 -10.065 -3.707 -32.121 1.00 64.14 C ATOM 1719 CG HIS A 110 -8.582 -3.594 -31.939 1.00 34.44 C ATOM 1720 ND1 HIS A 110 -7.955 -2.420 -31.580 1.00 54.20 N ATOM 1721 CD2 HIS A 110 -7.602 -4.519 -32.065 1.00 41.03 C ATOM 1722 CE1 HIS A 110 -6.653 -2.626 -31.496 1.00 33.23 C ATOM 1723 NE2 HIS A 110 -6.413 -3.892 -31.785 1.00 64.31 N ATOM 0 H HIS A 110 -10.190 -1.460 -33.273 1.00 13.40 H new ATOM 0 HA HIS A 110 -9.983 -4.211 -34.208 1.00 11.11 H new ATOM 0 HB2 HIS A 110 -10.558 -2.967 -31.490 1.00 64.14 H new ATOM 0 HB3 HIS A 110 -10.392 -4.688 -31.776 1.00 64.14 H new ATOM 0 HD2 HIS A 110 -7.731 -5.557 -32.335 1.00 41.03 H new ATOM 0 HE1 HIS A 110 -5.911 -1.885 -31.235 1.00 33.23 H new ATOM 0 HE2 HIS A 110 -5.493 -4.333 -31.798 1.00 64.31 H new ATOM 1731 N HIS A 111 -12.817 -3.007 -32.974 1.00 0.02 N ATOM 1732 CA HIS A 111 -14.266 -3.172 -32.999 1.00 50.34 C ATOM 1733 C HIS A 111 -14.957 -1.851 -33.326 1.00 72.43 C ATOM 1734 O HIS A 111 -14.503 -0.783 -32.915 1.00 23.44 O ATOM 1735 CB HIS A 111 -14.764 -3.702 -31.655 1.00 20.14 C ATOM 1736 CG HIS A 111 -16.168 -4.222 -31.698 1.00 50.34 C ATOM 1737 ND1 HIS A 111 -16.894 -4.526 -30.566 1.00 65.10 N ATOM 1738 CD2 HIS A 111 -16.981 -4.489 -32.747 1.00 42.23 C ATOM 1739 CE1 HIS A 111 -18.091 -4.960 -30.916 1.00 52.44 C ATOM 1740 NE2 HIS A 111 -18.170 -4.946 -32.235 1.00 21.21 N ATOM 0 H HIS A 111 -12.489 -2.252 -32.372 1.00 0.02 H new ATOM 0 HA HIS A 111 -14.511 -3.894 -33.778 1.00 50.34 H new ATOM 0 HB2 HIS A 111 -14.100 -4.499 -31.320 1.00 20.14 H new ATOM 0 HB3 HIS A 111 -14.703 -2.904 -30.914 1.00 20.14 H new ATOM 0 HD2 HIS A 111 -16.739 -4.365 -33.792 1.00 42.23 H new ATOM 0 HE1 HIS A 111 -18.872 -5.273 -30.239 1.00 52.44 H new ATOM 0 HE2 HIS A 111 -18.982 -5.229 -32.783 1.00 21.21 H new TER 1748 HIS A 111