USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 787 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 58 LYS NZ :NH3+ 173:sc= 0.919 (180deg=0.386) USER MOD Set 1.2: A 71 THR OG1 : rot 43:sc= 0.434 USER MOD Set 1.3: A 75 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.849 K(o=1.6,f=0.51) USER MOD Set 2.2: A 70 SER OG : rot -120:sc= 0.748 USER MOD Set 3.1: A 56 GLN : amide:sc= -0.981 K(o=-2.2,f=-0.35) USER MOD Set 3.2: A 59 HIS : no HD1:sc= -1.24 K(o=-2.2,f=-0.35) USER MOD Set 4.1: A 34 ASN : amide:sc= 0.164 K(o=0.23,f=-2.5!) USER MOD Set 4.2: A 37 THR OG1 : rot 59:sc= 0.071 USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 16 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.14) USER MOD Single : A 1 ARG N :NH3+ -163:sc= 1.11 (180deg=0.459) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.2,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0188 USER MOD Single : A 15 MET CE :methyl 177:sc= -0.649 (180deg=-0.698) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 68:sc= 0.197 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.748 K(o=0.75,f=0) USER MOD Single : A 38 MET CE :methyl -168:sc=-0.00381 (180deg=-0.0196) USER MOD Single : A 40 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 1.22 (180deg=0.841) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.563 USER MOD Single : A 52 THR OG1 : rot 79:sc= 1.67 USER MOD Single : A 61 TYR OH : rot -6:sc= 1.07 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00672 USER MOD Single : A 76 CYS SG : rot 80:sc= 0.0612 USER MOD Single : A 77 THR OG1 : rot -52:sc= 0.636 USER MOD Single : A 80 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.019) USER MOD Single : A 81 TYR OH : rot 3:sc= 1.28 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 2.47 (180deg=2.16) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.930 1.005 -7.346 1.00 0.00 N ATOM 2 CA ARG A 1 -5.647 1.386 -6.691 1.00 0.00 C ATOM 3 C ARG A 1 -5.252 0.446 -5.548 1.00 0.00 C ATOM 4 O ARG A 1 -4.190 -0.188 -5.583 1.00 0.00 O ATOM 5 CB ARG A 1 -5.666 2.878 -6.278 1.00 0.00 C ATOM 6 CG ARG A 1 -4.315 3.422 -5.772 1.00 0.00 C ATOM 7 CD ARG A 1 -4.212 3.425 -4.239 1.00 0.00 C ATOM 8 NE ARG A 1 -2.871 3.834 -3.795 1.00 0.00 N ATOM 9 CZ ARG A 1 -2.416 5.042 -3.543 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.143 6.115 -3.667 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.184 5.170 -3.154 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.003 1.479 -8.269 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.957 -0.026 -7.484 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.727 1.295 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.854 1.265 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -5.985 3.474 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.414 3.016 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -3.507 2.818 -6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.175 4.437 -6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.958 4.103 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -4.437 2.430 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.201 3.076 -3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.113 6.041 -3.972 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -2.742 7.030 -3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -0.594 4.345 -3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -0.807 6.096 -2.952 1.00 0.00 H new ATOM 27 N ALA A 2 -6.082 0.382 -4.502 1.00 0.00 N ATOM 28 CA ALA A 2 -5.716 -0.295 -3.254 1.00 0.00 C ATOM 29 C ALA A 2 -5.521 -1.811 -3.410 1.00 0.00 C ATOM 30 O ALA A 2 -4.604 -2.378 -2.818 1.00 0.00 O ATOM 31 CB ALA A 2 -6.780 0.027 -2.197 1.00 0.00 C ATOM 0 H ALA A 2 -7.016 0.793 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.742 0.081 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.524 -0.469 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.820 1.105 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.752 -0.326 -2.540 1.00 0.00 H new ATOM 37 N ASP A 3 -6.333 -2.461 -4.246 1.00 0.00 N ATOM 38 CA ASP A 3 -6.212 -3.902 -4.499 1.00 0.00 C ATOM 39 C ASP A 3 -4.995 -4.259 -5.371 1.00 0.00 C ATOM 40 O ASP A 3 -4.387 -5.304 -5.151 1.00 0.00 O ATOM 41 CB ASP A 3 -7.510 -4.391 -5.156 1.00 0.00 C ATOM 42 CG ASP A 3 -7.564 -5.924 -5.266 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.632 -6.602 -4.212 1.00 0.00 O ATOM 44 OD2 ASP A 3 -7.589 -6.452 -6.403 1.00 0.00 O ATOM 0 H ASP A 3 -7.087 -2.010 -4.764 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.052 -4.403 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.363 -4.040 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.599 -3.954 -6.150 1.00 0.00 H new ATOM 49 N GLU A 4 -4.581 -3.369 -6.285 1.00 0.00 N ATOM 50 CA GLU A 4 -3.349 -3.576 -7.060 1.00 0.00 C ATOM 51 C GLU A 4 -2.146 -3.471 -6.124 1.00 0.00 C ATOM 52 O GLU A 4 -1.284 -4.347 -6.112 1.00 0.00 O ATOM 53 CB GLU A 4 -3.216 -2.537 -8.184 1.00 0.00 C ATOM 54 CG GLU A 4 -4.384 -2.531 -9.183 1.00 0.00 C ATOM 55 CD GLU A 4 -5.420 -1.453 -8.824 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.182 -1.612 -7.841 1.00 0.00 O ATOM 57 OE2 GLU A 4 -5.453 -0.390 -9.485 1.00 0.00 O ATOM 0 H GLU A 4 -5.077 -2.505 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.389 -4.565 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.130 -1.546 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.290 -2.724 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.004 -2.353 -10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.863 -3.510 -9.192 1.00 0.00 H new ATOM 64 N GLN A 5 -2.130 -2.444 -5.264 1.00 0.00 N ATOM 65 CA GLN A 5 -1.071 -2.321 -4.261 1.00 0.00 C ATOM 66 C GLN A 5 -1.036 -3.525 -3.306 1.00 0.00 C ATOM 67 O GLN A 5 0.027 -4.117 -3.120 1.00 0.00 O ATOM 68 CB GLN A 5 -1.144 -0.986 -3.508 1.00 0.00 C ATOM 69 CG GLN A 5 -0.736 0.197 -4.410 1.00 0.00 C ATOM 70 CD GLN A 5 0.004 1.281 -3.632 1.00 0.00 C ATOM 71 OE1 GLN A 5 -0.531 2.333 -3.304 1.00 0.00 O ATOM 72 NE2 GLN A 5 1.261 1.073 -3.303 1.00 0.00 N ATOM 0 H GLN A 5 -2.827 -1.699 -5.244 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.124 -2.324 -4.801 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.158 -0.830 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.490 -1.023 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.102 -0.166 -5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.626 0.625 -4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.720 0.202 -3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.776 1.783 -2.782 1.00 0.00 H new ATOM 81 N ALA A 6 -2.179 -3.969 -2.777 1.00 0.00 N ATOM 82 CA ALA A 6 -2.258 -5.178 -1.955 1.00 0.00 C ATOM 83 C ALA A 6 -1.716 -6.421 -2.690 1.00 0.00 C ATOM 84 O ALA A 6 -0.846 -7.121 -2.161 1.00 0.00 O ATOM 85 CB ALA A 6 -3.708 -5.374 -1.495 1.00 0.00 C ATOM 0 H ALA A 6 -3.075 -3.500 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.619 -5.050 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.777 -6.273 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.024 -4.510 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.355 -5.479 -2.366 1.00 0.00 H new ATOM 91 N PHE A 7 -2.141 -6.664 -3.937 1.00 0.00 N ATOM 92 CA PHE A 7 -1.653 -7.808 -4.709 1.00 0.00 C ATOM 93 C PHE A 7 -0.221 -7.632 -5.242 1.00 0.00 C ATOM 94 O PHE A 7 0.423 -8.643 -5.544 1.00 0.00 O ATOM 95 CB PHE A 7 -2.691 -8.274 -5.753 1.00 0.00 C ATOM 96 CG PHE A 7 -2.756 -7.635 -7.136 1.00 0.00 C ATOM 97 CD1 PHE A 7 -1.689 -7.775 -8.046 1.00 0.00 C ATOM 98 CD2 PHE A 7 -3.970 -7.083 -7.596 1.00 0.00 C ATOM 99 CE1 PHE A 7 -1.822 -7.342 -9.374 1.00 0.00 C ATOM 100 CE2 PHE A 7 -4.099 -6.631 -8.922 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.021 -6.755 -9.813 1.00 0.00 C ATOM 0 H PHE A 7 -2.820 -6.084 -4.429 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.548 -8.641 -4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.536 -9.343 -5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.675 -8.155 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.761 -8.219 -7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.810 -7.006 -6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.998 -7.460 -10.063 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.027 -6.189 -9.254 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.113 -6.401 -10.829 1.00 0.00 H new ATOM 111 N LEU A 8 0.341 -6.408 -5.238 1.00 0.00 N ATOM 112 CA LEU A 8 1.769 -6.277 -5.568 1.00 0.00 C ATOM 113 C LEU A 8 2.644 -6.302 -4.304 1.00 0.00 C ATOM 114 O LEU A 8 3.840 -6.551 -4.411 1.00 0.00 O ATOM 115 CB LEU A 8 2.004 -5.004 -6.405 1.00 0.00 C ATOM 116 CG LEU A 8 2.518 -5.264 -7.829 1.00 0.00 C ATOM 117 CD1 LEU A 8 3.993 -5.648 -7.796 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.710 -6.299 -8.618 1.00 0.00 C ATOM 0 H LEU A 8 -0.144 -5.537 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 8 2.066 -7.137 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.069 -4.447 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.720 -4.369 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 8 2.387 -4.325 -8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.345 -5.830 -8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.570 -4.837 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.120 -6.552 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.143 -6.419 -9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.733 -7.255 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.678 -5.961 -8.711 1.00 0.00 H new ATOM 130 N VAL A 9 2.066 -6.109 -3.109 1.00 0.00 N ATOM 131 CA VAL A 9 2.769 -6.398 -1.843 1.00 0.00 C ATOM 132 C VAL A 9 2.823 -7.917 -1.628 1.00 0.00 C ATOM 133 O VAL A 9 3.860 -8.457 -1.228 1.00 0.00 O ATOM 134 CB VAL A 9 2.109 -5.666 -0.655 1.00 0.00 C ATOM 135 CG1 VAL A 9 2.608 -6.154 0.713 1.00 0.00 C ATOM 136 CG2 VAL A 9 2.417 -4.164 -0.730 1.00 0.00 C ATOM 0 H VAL A 9 1.117 -5.755 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 9 3.790 -6.022 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 9 1.042 -5.875 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.104 -5.598 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.391 -7.217 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.684 -5.994 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.948 -3.654 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.496 -4.011 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.026 -3.759 -1.663 1.00 0.00 H new ATOM 146 N ALA A 10 1.750 -8.630 -1.986 1.00 0.00 N ATOM 147 CA ALA A 10 1.764 -10.092 -2.036 1.00 0.00 C ATOM 148 C ALA A 10 2.769 -10.627 -3.076 1.00 0.00 C ATOM 149 O ALA A 10 3.568 -11.512 -2.744 1.00 0.00 O ATOM 150 CB ALA A 10 0.339 -10.588 -2.314 1.00 0.00 C ATOM 0 H ALA A 10 0.856 -8.213 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 10 2.100 -10.478 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.334 -11.677 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.325 -10.251 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.006 -10.188 -3.268 1.00 0.00 H new ATOM 156 N LEU A 11 2.801 -10.053 -4.296 1.00 0.00 N ATOM 157 CA LEU A 11 3.881 -10.365 -5.239 1.00 0.00 C ATOM 158 C LEU A 11 5.248 -9.986 -4.676 1.00 0.00 C ATOM 159 O LEU A 11 6.155 -10.791 -4.807 1.00 0.00 O ATOM 160 CB LEU A 11 3.696 -9.719 -6.620 1.00 0.00 C ATOM 161 CG LEU A 11 4.845 -10.073 -7.599 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.962 -11.565 -7.920 1.00 0.00 C ATOM 163 CD2 LEU A 11 4.639 -9.356 -8.924 1.00 0.00 C ATOM 0 H LEU A 11 2.108 -9.388 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 11 3.833 -11.445 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.747 -10.045 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.640 -8.636 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 11 5.755 -9.760 -7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.790 -11.725 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.144 -12.122 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.036 -11.913 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.451 -9.610 -9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.689 -9.664 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.630 -8.279 -8.757 1.00 0.00 H new ATOM 175 N TYR A 12 5.429 -8.823 -4.045 1.00 0.00 N ATOM 176 CA TYR A 12 6.719 -8.428 -3.468 1.00 0.00 C ATOM 177 C TYR A 12 7.262 -9.494 -2.513 1.00 0.00 C ATOM 178 O TYR A 12 8.425 -9.883 -2.645 1.00 0.00 O ATOM 179 CB TYR A 12 6.622 -7.060 -2.776 1.00 0.00 C ATOM 180 CG TYR A 12 7.802 -6.724 -1.879 1.00 0.00 C ATOM 181 CD1 TYR A 12 9.107 -6.682 -2.408 1.00 0.00 C ATOM 182 CD2 TYR A 12 7.598 -6.518 -0.499 1.00 0.00 C ATOM 183 CE1 TYR A 12 10.208 -6.447 -1.560 1.00 0.00 C ATOM 184 CE2 TYR A 12 8.694 -6.273 0.349 1.00 0.00 C ATOM 185 CZ TYR A 12 10.004 -6.241 -0.178 1.00 0.00 C ATOM 186 OH TYR A 12 11.068 -6.023 0.643 1.00 0.00 O ATOM 0 H TYR A 12 4.690 -8.131 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 12 7.429 -8.337 -4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.529 -6.287 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.709 -7.032 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.264 -6.830 -3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.598 -6.548 -0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 12 11.208 -6.424 -1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.533 -6.109 1.404 1.00 0.00 H new ATOM 0 HH TYR A 12 10.752 -5.899 1.562 1.00 0.00 H new ATOM 196 N LYS A 13 6.416 -10.037 -1.625 1.00 0.00 N ATOM 197 CA LYS A 13 6.800 -11.185 -0.794 1.00 0.00 C ATOM 198 C LYS A 13 7.149 -12.407 -1.646 1.00 0.00 C ATOM 199 O LYS A 13 8.278 -12.894 -1.538 1.00 0.00 O ATOM 200 CB LYS A 13 5.705 -11.458 0.252 1.00 0.00 C ATOM 201 CG LYS A 13 6.130 -12.541 1.259 1.00 0.00 C ATOM 202 CD LYS A 13 5.064 -12.822 2.330 1.00 0.00 C ATOM 203 CE LYS A 13 4.843 -11.624 3.265 1.00 0.00 C ATOM 204 NZ LYS A 13 3.872 -11.945 4.344 1.00 0.00 N ATOM 0 H LYS A 13 5.466 -9.701 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 13 7.714 -10.947 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.475 -10.536 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.791 -11.770 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.347 -13.464 0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.054 -12.232 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.123 -13.078 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.364 -13.689 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.794 -11.326 3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.479 -10.774 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.747 -11.114 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.958 -12.205 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.232 -12.741 4.909 1.00 0.00 H new ATOM 218 N TYR A 14 6.258 -12.876 -2.530 1.00 0.00 N ATOM 219 CA TYR A 14 6.598 -14.020 -3.387 1.00 0.00 C ATOM 220 C TYR A 14 7.858 -13.851 -4.256 1.00 0.00 C ATOM 221 O TYR A 14 8.654 -14.783 -4.359 1.00 0.00 O ATOM 222 CB TYR A 14 5.373 -14.333 -4.260 1.00 0.00 C ATOM 223 CG TYR A 14 5.457 -15.659 -4.991 1.00 0.00 C ATOM 224 CD1 TYR A 14 5.168 -16.852 -4.300 1.00 0.00 C ATOM 225 CD2 TYR A 14 5.831 -15.705 -6.349 1.00 0.00 C ATOM 226 CE1 TYR A 14 5.254 -18.092 -4.960 1.00 0.00 C ATOM 227 CE2 TYR A 14 5.926 -16.946 -7.011 1.00 0.00 C ATOM 228 CZ TYR A 14 5.638 -18.141 -6.317 1.00 0.00 C ATOM 229 OH TYR A 14 5.766 -19.340 -6.951 1.00 0.00 O ATOM 0 H TYR A 14 5.322 -12.494 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 14 6.852 -14.847 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.482 -14.332 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.248 -13.534 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.879 -16.815 -3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.045 -14.790 -6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.027 -19.004 -4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.219 -16.982 -8.050 1.00 0.00 H new ATOM 0 HH TYR A 14 6.036 -19.191 -7.881 1.00 0.00 H new ATOM 239 N MET A 15 8.087 -12.678 -4.852 1.00 0.00 N ATOM 240 CA MET A 15 9.234 -12.433 -5.723 1.00 0.00 C ATOM 241 C MET A 15 10.531 -12.250 -4.922 1.00 0.00 C ATOM 242 O MET A 15 11.589 -12.687 -5.379 1.00 0.00 O ATOM 243 CB MET A 15 8.951 -11.329 -6.748 1.00 0.00 C ATOM 244 CG MET A 15 8.958 -9.900 -6.208 1.00 0.00 C ATOM 245 SD MET A 15 8.289 -8.649 -7.344 1.00 0.00 S ATOM 246 CE MET A 15 9.180 -9.011 -8.883 1.00 0.00 C ATOM 0 H MET A 15 7.477 -11.868 -4.742 1.00 0.00 H new ATOM 0 HA MET A 15 9.401 -13.328 -6.322 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.693 -11.400 -7.544 1.00 0.00 H new ATOM 0 HB3 MET A 15 7.978 -11.521 -7.201 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.383 -9.874 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.983 -9.628 -5.954 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.824 -8.351 -9.674 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.248 -8.852 -8.731 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.004 -10.048 -9.170 1.00 0.00 H new ATOM 256 N LYS A 16 10.471 -11.716 -3.687 1.00 0.00 N ATOM 257 CA LYS A 16 11.621 -11.747 -2.766 1.00 0.00 C ATOM 258 C LYS A 16 11.980 -13.188 -2.374 1.00 0.00 C ATOM 259 O LYS A 16 13.156 -13.546 -2.373 1.00 0.00 O ATOM 260 CB LYS A 16 11.320 -10.850 -1.555 1.00 0.00 C ATOM 261 CG LYS A 16 12.533 -10.702 -0.625 1.00 0.00 C ATOM 262 CD LYS A 16 12.403 -9.445 0.245 1.00 0.00 C ATOM 263 CE LYS A 16 13.594 -9.340 1.204 1.00 0.00 C ATOM 264 NZ LYS A 16 13.679 -7.987 1.805 1.00 0.00 N ATOM 0 H LYS A 16 9.642 -11.260 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 16 12.505 -11.350 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.009 -9.865 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.484 -11.268 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.618 -11.583 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.446 -10.647 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.357 -8.559 -0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.472 -9.481 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.496 -10.086 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.517 -9.562 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.332 -8.007 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.028 -7.313 1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.736 -7.691 2.129 1.00 0.00 H new ATOM 278 N GLU A 17 10.973 -14.044 -2.185 1.00 0.00 N ATOM 279 CA GLU A 17 11.176 -15.501 -2.031 1.00 0.00 C ATOM 280 C GLU A 17 11.588 -16.217 -3.349 1.00 0.00 C ATOM 281 O GLU A 17 11.814 -17.430 -3.359 1.00 0.00 O ATOM 282 CB GLU A 17 9.893 -16.099 -1.416 1.00 0.00 C ATOM 283 CG GLU A 17 10.106 -17.445 -0.709 1.00 0.00 C ATOM 284 CD GLU A 17 8.836 -17.878 0.049 1.00 0.00 C ATOM 285 OE1 GLU A 17 7.975 -18.574 -0.544 1.00 0.00 O ATOM 286 OE2 GLU A 17 8.695 -17.541 1.250 1.00 0.00 O ATOM 0 H GLU A 17 9.996 -13.757 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 17 12.023 -15.666 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.479 -15.387 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.151 -16.228 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.374 -18.206 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.940 -17.366 -0.012 1.00 0.00 H new ATOM 293 N ARG A 18 11.712 -15.471 -4.461 1.00 0.00 N ATOM 294 CA ARG A 18 12.216 -15.999 -5.751 1.00 0.00 C ATOM 295 C ARG A 18 13.499 -15.281 -6.219 1.00 0.00 C ATOM 296 O ARG A 18 13.845 -15.325 -7.401 1.00 0.00 O ATOM 297 CB ARG A 18 11.081 -16.026 -6.807 1.00 0.00 C ATOM 298 CG ARG A 18 10.305 -17.355 -6.839 1.00 0.00 C ATOM 299 CD ARG A 18 9.275 -17.519 -5.716 1.00 0.00 C ATOM 300 NE ARG A 18 8.769 -18.902 -5.651 1.00 0.00 N ATOM 301 CZ ARG A 18 9.249 -19.892 -4.918 1.00 0.00 C ATOM 302 NH1 ARG A 18 10.273 -19.753 -4.121 1.00 0.00 N ATOM 303 NH2 ARG A 18 8.700 -21.071 -4.982 1.00 0.00 N ATOM 0 H ARG A 18 11.466 -14.482 -4.495 1.00 0.00 H new ATOM 0 HA ARG A 18 12.525 -17.034 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.385 -15.213 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.508 -15.839 -7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.794 -17.439 -7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.017 -18.178 -6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.728 -17.250 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.444 -16.833 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 18 7.961 -19.119 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.740 -18.850 -4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.606 -20.548 -3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.902 -21.229 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.068 -21.836 -4.417 1.00 0.00 H new ATOM 317 N LYS A 19 14.226 -14.633 -5.292 1.00 0.00 N ATOM 318 CA LYS A 19 15.524 -13.950 -5.494 1.00 0.00 C ATOM 319 C LYS A 19 15.416 -12.771 -6.468 1.00 0.00 C ATOM 320 O LYS A 19 16.409 -12.327 -7.053 1.00 0.00 O ATOM 321 CB LYS A 19 16.634 -14.961 -5.865 1.00 0.00 C ATOM 322 CG LYS A 19 16.778 -16.100 -4.840 1.00 0.00 C ATOM 323 CD LYS A 19 17.904 -17.063 -5.236 1.00 0.00 C ATOM 324 CE LYS A 19 18.000 -18.208 -4.220 1.00 0.00 C ATOM 325 NZ LYS A 19 19.066 -19.178 -4.585 1.00 0.00 N ATOM 0 H LYS A 19 13.909 -14.566 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 19 15.819 -13.505 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 19 16.417 -15.387 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.584 -14.434 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.983 -15.682 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.838 -16.647 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.716 -17.465 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 19 18.852 -16.527 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.203 -17.800 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.042 -18.725 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.102 -19.938 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.859 -19.586 -5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.984 -18.690 -4.616 1.00 0.00 H new ATOM 339 N THR A 20 14.194 -12.249 -6.607 1.00 0.00 N ATOM 340 CA THR A 20 13.890 -11.174 -7.553 1.00 0.00 C ATOM 341 C THR A 20 12.998 -10.104 -6.898 1.00 0.00 C ATOM 342 O THR A 20 11.904 -9.844 -7.391 1.00 0.00 O ATOM 343 CB THR A 20 13.284 -11.738 -8.864 1.00 0.00 C ATOM 344 OG1 THR A 20 14.011 -12.859 -9.329 1.00 0.00 O ATOM 345 CG2 THR A 20 13.319 -10.736 -10.023 1.00 0.00 C ATOM 0 H THR A 20 13.388 -12.561 -6.066 1.00 0.00 H new ATOM 0 HA THR A 20 14.822 -10.681 -7.829 1.00 0.00 H new ATOM 0 HB THR A 20 12.257 -11.987 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.885 -13.610 -8.712 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.881 -11.191 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.750 -9.847 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.352 -10.456 -10.231 1.00 0.00 H new ATOM 353 N PRO A 21 13.390 -9.504 -5.753 1.00 0.00 N ATOM 354 CA PRO A 21 12.579 -8.495 -5.062 1.00 0.00 C ATOM 355 C PRO A 21 12.431 -7.195 -5.873 1.00 0.00 C ATOM 356 O PRO A 21 13.278 -6.864 -6.701 1.00 0.00 O ATOM 357 CB PRO A 21 13.313 -8.238 -3.740 1.00 0.00 C ATOM 358 CG PRO A 21 14.774 -8.513 -4.085 1.00 0.00 C ATOM 359 CD PRO A 21 14.663 -9.679 -5.063 1.00 0.00 C ATOM 0 HA PRO A 21 11.559 -8.849 -4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.168 -7.215 -3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.957 -8.897 -2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.255 -7.646 -4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.358 -8.776 -3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.493 -9.677 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.694 -10.634 -4.538 1.00 0.00 H new ATOM 367 N ILE A 22 11.414 -6.386 -5.552 1.00 0.00 N ATOM 368 CA ILE A 22 11.300 -5.003 -6.085 1.00 0.00 C ATOM 369 C ILE A 22 12.526 -4.145 -5.675 1.00 0.00 C ATOM 370 O ILE A 22 12.904 -3.199 -6.360 1.00 0.00 O ATOM 371 CB ILE A 22 9.932 -4.400 -5.666 1.00 0.00 C ATOM 372 CG1 ILE A 22 8.798 -5.213 -6.324 1.00 0.00 C ATOM 373 CG2 ILE A 22 9.810 -2.909 -6.038 1.00 0.00 C ATOM 374 CD1 ILE A 22 7.377 -4.785 -5.938 1.00 0.00 C ATOM 0 H ILE A 22 10.654 -6.655 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 22 11.317 -5.016 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 22 9.855 -4.460 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.901 -5.139 -7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.927 -6.263 -6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.836 -2.534 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.595 -2.343 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.913 -2.794 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.654 -5.417 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.246 -4.887 -4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.219 -3.745 -6.225 1.00 0.00 H new ATOM 386 N GLU A 23 13.199 -4.564 -4.598 1.00 0.00 N ATOM 387 CA GLU A 23 14.519 -4.027 -4.210 1.00 0.00 C ATOM 388 C GLU A 23 15.614 -4.091 -5.314 1.00 0.00 C ATOM 389 O GLU A 23 16.634 -3.409 -5.178 1.00 0.00 O ATOM 390 CB GLU A 23 15.019 -4.700 -2.919 1.00 0.00 C ATOM 391 CG GLU A 23 14.084 -4.466 -1.725 1.00 0.00 C ATOM 392 CD GLU A 23 14.696 -5.032 -0.433 1.00 0.00 C ATOM 393 OE1 GLU A 23 14.538 -6.248 -0.168 1.00 0.00 O ATOM 394 OE2 GLU A 23 15.337 -4.269 0.331 1.00 0.00 O ATOM 0 H GLU A 23 12.849 -5.285 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 23 14.349 -2.964 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.121 -5.772 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.011 -4.319 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.898 -3.399 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.120 -4.939 -1.914 1.00 0.00 H new ATOM 401 N ARG A 24 15.412 -4.832 -6.424 1.00 0.00 N ATOM 402 CA ARG A 24 16.275 -4.821 -7.634 1.00 0.00 C ATOM 403 C ARG A 24 15.596 -4.236 -8.892 1.00 0.00 C ATOM 404 O ARG A 24 16.131 -4.349 -9.995 1.00 0.00 O ATOM 405 CB ARG A 24 16.926 -6.208 -7.854 1.00 0.00 C ATOM 406 CG ARG A 24 16.093 -7.232 -8.654 1.00 0.00 C ATOM 407 CD ARG A 24 16.673 -8.653 -8.569 1.00 0.00 C ATOM 408 NE ARG A 24 17.998 -8.767 -9.207 1.00 0.00 N ATOM 409 CZ ARG A 24 18.776 -9.837 -9.234 1.00 0.00 C ATOM 410 NH1 ARG A 24 18.457 -10.968 -8.666 1.00 0.00 N ATOM 411 NH2 ARG A 24 19.922 -9.789 -9.852 1.00 0.00 N ATOM 0 H ARG A 24 14.624 -5.473 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 24 17.082 -4.114 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.876 -6.063 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.154 -6.638 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.070 -7.237 -8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.047 -6.923 -9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.752 -8.947 -7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.984 -9.351 -9.045 1.00 0.00 H new ATOM 0 HE ARG A 24 18.352 -7.934 -9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.570 -11.058 -8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.095 -11.762 -8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.217 -8.928 -10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.524 -10.612 -9.875 1.00 0.00 H new ATOM 425 N ILE A 25 14.440 -3.587 -8.726 1.00 0.00 N ATOM 426 CA ILE A 25 13.589 -2.998 -9.777 1.00 0.00 C ATOM 427 C ILE A 25 13.280 -1.528 -9.392 1.00 0.00 C ATOM 428 O ILE A 25 12.190 -1.220 -8.901 1.00 0.00 O ATOM 429 CB ILE A 25 12.308 -3.846 -10.009 1.00 0.00 C ATOM 430 CG1 ILE A 25 12.581 -5.368 -10.093 1.00 0.00 C ATOM 431 CG2 ILE A 25 11.644 -3.364 -11.313 1.00 0.00 C ATOM 432 CD1 ILE A 25 11.314 -6.223 -10.223 1.00 0.00 C ATOM 0 H ILE A 25 14.044 -3.447 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 25 14.115 -3.001 -10.732 1.00 0.00 H new ATOM 0 HB ILE A 25 11.655 -3.704 -9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.228 -5.564 -10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.127 -5.679 -9.202 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.741 -3.945 -11.498 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.384 -2.309 -11.221 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.337 -3.496 -12.144 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.590 -7.276 -10.276 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.674 -6.059 -9.356 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.777 -5.942 -11.129 1.00 0.00 H new ATOM 444 N PRO A 26 14.250 -0.602 -9.539 1.00 0.00 N ATOM 445 CA PRO A 26 14.171 0.746 -8.968 1.00 0.00 C ATOM 446 C PRO A 26 13.308 1.784 -9.709 1.00 0.00 C ATOM 447 O PRO A 26 12.919 2.771 -9.078 1.00 0.00 O ATOM 448 CB PRO A 26 15.628 1.223 -8.911 1.00 0.00 C ATOM 449 CG PRO A 26 16.277 0.515 -10.098 1.00 0.00 C ATOM 450 CD PRO A 26 15.575 -0.839 -10.096 1.00 0.00 C ATOM 0 HA PRO A 26 13.661 0.671 -8.008 1.00 0.00 H new ATOM 0 HB2 PRO A 26 15.700 2.307 -9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 26 16.104 0.949 -7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 26 16.115 1.055 -11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 26 17.355 0.414 -9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.507 -1.245 -11.105 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.126 -1.564 -9.497 1.00 0.00 H new ATOM 458 N TYR A 27 12.983 1.617 -11.001 1.00 0.00 N ATOM 459 CA TYR A 27 12.369 2.694 -11.802 1.00 0.00 C ATOM 460 C TYR A 27 11.390 2.177 -12.869 1.00 0.00 C ATOM 461 O TYR A 27 11.591 1.109 -13.442 1.00 0.00 O ATOM 462 CB TYR A 27 13.471 3.491 -12.531 1.00 0.00 C ATOM 463 CG TYR A 27 14.520 4.157 -11.656 1.00 0.00 C ATOM 464 CD1 TYR A 27 14.150 5.175 -10.755 1.00 0.00 C ATOM 465 CD2 TYR A 27 15.874 3.779 -11.763 1.00 0.00 C ATOM 466 CE1 TYR A 27 15.121 5.797 -9.945 1.00 0.00 C ATOM 467 CE2 TYR A 27 16.849 4.397 -10.957 1.00 0.00 C ATOM 468 CZ TYR A 27 16.475 5.407 -10.042 1.00 0.00 C ATOM 469 OH TYR A 27 17.424 5.999 -9.265 1.00 0.00 O ATOM 0 H TYR A 27 13.134 0.749 -11.515 1.00 0.00 H new ATOM 0 HA TYR A 27 11.813 3.314 -11.099 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.980 2.817 -13.220 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.992 4.262 -13.135 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.116 5.480 -10.685 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.164 3.012 -12.466 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.830 6.571 -9.251 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.884 4.099 -11.038 1.00 0.00 H new ATOM 0 HH TYR A 27 18.300 5.607 -9.463 1.00 0.00 H new ATOM 479 N LEU A 28 10.355 2.972 -13.169 1.00 0.00 N ATOM 480 CA LEU A 28 9.446 2.825 -14.313 1.00 0.00 C ATOM 481 C LEU A 28 10.271 3.024 -15.598 1.00 0.00 C ATOM 482 O LEU A 28 10.585 2.065 -16.306 1.00 0.00 O ATOM 483 CB LEU A 28 8.310 3.855 -14.103 1.00 0.00 C ATOM 484 CG LEU A 28 7.263 3.988 -15.224 1.00 0.00 C ATOM 485 CD1 LEU A 28 6.423 2.724 -15.380 1.00 0.00 C ATOM 486 CD2 LEU A 28 6.324 5.143 -14.875 1.00 0.00 C ATOM 0 H LEU A 28 10.117 3.777 -12.590 1.00 0.00 H new ATOM 0 HA LEU A 28 8.984 1.842 -14.401 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.787 3.598 -13.182 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.765 4.833 -13.949 1.00 0.00 H new ATOM 0 HG LEU A 28 7.794 4.163 -16.160 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.699 2.865 -16.182 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.073 1.883 -15.622 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.897 2.520 -14.448 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.575 5.252 -15.659 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.829 4.936 -13.926 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.898 6.066 -14.791 1.00 0.00 H new ATOM 498 N GLY A 29 10.667 4.278 -15.830 1.00 0.00 N ATOM 499 CA GLY A 29 11.676 4.614 -16.850 1.00 0.00 C ATOM 500 C GLY A 29 12.233 6.046 -16.724 1.00 0.00 C ATOM 501 O GLY A 29 13.394 6.287 -17.053 1.00 0.00 O ATOM 0 H GLY A 29 10.304 5.086 -15.324 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.501 3.905 -16.779 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.235 4.491 -17.839 1.00 0.00 H new ATOM 505 N PHE A 30 11.438 6.971 -16.168 1.00 0.00 N ATOM 506 CA PHE A 30 11.812 8.357 -15.812 1.00 0.00 C ATOM 507 C PHE A 30 11.508 8.703 -14.330 1.00 0.00 C ATOM 508 O PHE A 30 11.703 9.841 -13.894 1.00 0.00 O ATOM 509 CB PHE A 30 11.081 9.314 -16.773 1.00 0.00 C ATOM 510 CG PHE A 30 9.562 9.253 -16.683 1.00 0.00 C ATOM 511 CD1 PHE A 30 8.868 10.072 -15.773 1.00 0.00 C ATOM 512 CD2 PHE A 30 8.844 8.341 -17.480 1.00 0.00 C ATOM 513 CE1 PHE A 30 7.474 9.949 -15.631 1.00 0.00 C ATOM 514 CE2 PHE A 30 7.451 8.211 -17.333 1.00 0.00 C ATOM 515 CZ PHE A 30 6.768 9.007 -16.398 1.00 0.00 C ATOM 0 H PHE A 30 10.465 6.767 -15.941 1.00 0.00 H new ATOM 0 HA PHE A 30 12.891 8.466 -15.918 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.405 10.334 -16.567 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.382 9.084 -17.795 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.407 10.797 -15.182 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.366 7.738 -18.208 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.946 10.580 -14.931 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.907 7.500 -17.938 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.702 8.895 -16.269 1.00 0.00 H new ATOM 525 N LYS A 31 11.007 7.710 -13.577 1.00 0.00 N ATOM 526 CA LYS A 31 10.461 7.901 -12.217 1.00 0.00 C ATOM 527 C LYS A 31 10.518 6.553 -11.475 1.00 0.00 C ATOM 528 O LYS A 31 10.788 5.531 -12.106 1.00 0.00 O ATOM 529 CB LYS A 31 9.009 8.415 -12.385 1.00 0.00 C ATOM 530 CG LYS A 31 8.282 8.809 -11.090 1.00 0.00 C ATOM 531 CD LYS A 31 6.945 9.495 -11.404 1.00 0.00 C ATOM 532 CE LYS A 31 6.217 9.857 -10.104 1.00 0.00 C ATOM 533 NZ LYS A 31 4.926 10.545 -10.371 1.00 0.00 N ATOM 0 H LYS A 31 10.968 6.742 -13.895 1.00 0.00 H new ATOM 0 HA LYS A 31 11.030 8.623 -11.631 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.025 9.280 -13.047 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.426 7.642 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.107 7.922 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.911 9.479 -10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.119 10.395 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.322 8.834 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.034 8.952 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.854 10.501 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.462 10.774 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.103 11.421 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.309 9.921 -10.929 1.00 0.00 H new ATOM 547 N GLN A 32 10.255 6.512 -10.168 1.00 0.00 N ATOM 548 CA GLN A 32 10.061 5.262 -9.403 1.00 0.00 C ATOM 549 C GLN A 32 9.026 4.327 -10.075 1.00 0.00 C ATOM 550 O GLN A 32 8.113 4.797 -10.757 1.00 0.00 O ATOM 551 CB GLN A 32 9.586 5.633 -7.983 1.00 0.00 C ATOM 552 CG GLN A 32 9.642 4.484 -6.957 1.00 0.00 C ATOM 553 CD GLN A 32 8.623 4.676 -5.836 1.00 0.00 C ATOM 554 OE1 GLN A 32 8.897 5.264 -4.797 1.00 0.00 O ATOM 555 NE2 GLN A 32 7.407 4.193 -6.003 1.00 0.00 N ATOM 0 H GLN A 32 10.168 7.352 -9.596 1.00 0.00 H new ATOM 0 HA GLN A 32 11.007 4.722 -9.368 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.196 6.458 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.560 5.997 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.453 3.536 -7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.644 4.425 -6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.167 3.702 -6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.706 4.311 -5.271 1.00 0.00 H new ATOM 564 N ILE A 33 9.143 3.009 -9.850 1.00 0.00 N ATOM 565 CA ILE A 33 8.081 2.050 -10.219 1.00 0.00 C ATOM 566 C ILE A 33 6.713 2.516 -9.682 1.00 0.00 C ATOM 567 O ILE A 33 6.588 2.936 -8.527 1.00 0.00 O ATOM 568 CB ILE A 33 8.444 0.631 -9.706 1.00 0.00 C ATOM 569 CG1 ILE A 33 9.556 -0.032 -10.549 1.00 0.00 C ATOM 570 CG2 ILE A 33 7.250 -0.339 -9.613 1.00 0.00 C ATOM 571 CD1 ILE A 33 9.166 -0.455 -11.975 1.00 0.00 C ATOM 0 H ILE A 33 9.960 2.580 -9.415 1.00 0.00 H new ATOM 0 HA ILE A 33 8.005 2.007 -11.305 1.00 0.00 H new ATOM 0 HB ILE A 33 8.803 0.810 -8.692 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.395 0.661 -10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.911 -0.914 -10.015 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.594 -1.306 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.505 0.065 -8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.804 -0.463 -10.600 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.026 -0.907 -12.468 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.352 -1.178 -11.930 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.843 0.420 -12.539 1.00 0.00 H new ATOM 583 N ASN A 34 5.692 2.414 -10.535 1.00 0.00 N ATOM 584 CA ASN A 34 4.309 2.847 -10.304 1.00 0.00 C ATOM 585 C ASN A 34 3.349 1.809 -10.930 1.00 0.00 C ATOM 586 O ASN A 34 2.510 2.116 -11.780 1.00 0.00 O ATOM 587 CB ASN A 34 4.168 4.277 -10.867 1.00 0.00 C ATOM 588 CG ASN A 34 2.852 4.940 -10.495 1.00 0.00 C ATOM 589 OD1 ASN A 34 2.258 4.681 -9.457 1.00 0.00 O ATOM 590 ND2 ASN A 34 2.357 5.829 -11.325 1.00 0.00 N ATOM 0 H ASN A 34 5.814 2.003 -11.461 1.00 0.00 H new ATOM 0 HA ASN A 34 4.047 2.892 -9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.992 4.888 -10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.256 4.243 -11.953 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.480 6.301 -11.103 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.849 6.048 -12.191 1.00 0.00 H new ATOM 597 N LEU A 35 3.568 0.539 -10.564 1.00 0.00 N ATOM 598 CA LEU A 35 3.004 -0.663 -11.191 1.00 0.00 C ATOM 599 C LEU A 35 1.501 -0.612 -11.505 1.00 0.00 C ATOM 600 O LEU A 35 1.136 -0.812 -12.660 1.00 0.00 O ATOM 601 CB LEU A 35 3.417 -1.882 -10.348 1.00 0.00 C ATOM 602 CG LEU A 35 3.150 -3.270 -10.963 1.00 0.00 C ATOM 603 CD1 LEU A 35 1.674 -3.654 -10.988 1.00 0.00 C ATOM 604 CD2 LEU A 35 3.715 -3.438 -12.374 1.00 0.00 C ATOM 0 H LEU A 35 4.177 0.311 -9.779 1.00 0.00 H new ATOM 0 HA LEU A 35 3.427 -0.740 -12.192 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.483 -1.803 -10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.896 -1.827 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 35 3.680 -3.943 -10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.563 -4.642 -11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.285 -3.669 -9.970 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.118 -2.925 -11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.488 -4.439 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.265 -2.699 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.796 -3.296 -12.353 1.00 0.00 H new ATOM 616 N TRP A 36 0.634 -0.315 -10.530 1.00 0.00 N ATOM 617 CA TRP A 36 -0.830 -0.235 -10.726 1.00 0.00 C ATOM 618 C TRP A 36 -1.225 0.662 -11.935 1.00 0.00 C ATOM 619 O TRP A 36 -2.179 0.368 -12.667 1.00 0.00 O ATOM 620 CB TRP A 36 -1.480 0.272 -9.429 1.00 0.00 C ATOM 621 CG TRP A 36 -1.288 1.722 -9.100 1.00 0.00 C ATOM 622 CD1 TRP A 36 -0.121 2.312 -8.754 1.00 0.00 C ATOM 623 CD2 TRP A 36 -2.283 2.794 -9.114 1.00 0.00 C ATOM 624 NE1 TRP A 36 -0.315 3.667 -8.590 1.00 0.00 N ATOM 625 CE2 TRP A 36 -1.633 4.022 -8.785 1.00 0.00 C ATOM 626 CE3 TRP A 36 -3.668 2.855 -9.388 1.00 0.00 C ATOM 627 CZ2 TRP A 36 -2.314 5.246 -8.738 1.00 0.00 C ATOM 628 CZ3 TRP A 36 -4.361 4.082 -9.358 1.00 0.00 C ATOM 629 CH2 TRP A 36 -3.690 5.274 -9.030 1.00 0.00 C ATOM 0 H TRP A 36 0.925 -0.121 -9.572 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.197 -1.234 -10.960 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.551 0.075 -9.486 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.091 -0.319 -8.600 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.821 1.799 -8.626 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.426 4.327 -8.353 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.204 1.947 -9.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.790 6.155 -8.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.416 4.107 -9.589 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.230 6.209 -9.002 1.00 0.00 H new ATOM 640 N THR A 37 -0.461 1.739 -12.179 1.00 0.00 N ATOM 641 CA THR A 37 -0.661 2.688 -13.291 1.00 0.00 C ATOM 642 C THR A 37 -0.162 2.136 -14.629 1.00 0.00 C ATOM 643 O THR A 37 -0.923 2.149 -15.595 1.00 0.00 O ATOM 644 CB THR A 37 0.013 4.042 -13.008 1.00 0.00 C ATOM 645 OG1 THR A 37 -0.529 4.616 -11.839 1.00 0.00 O ATOM 646 CG2 THR A 37 -0.209 5.071 -14.119 1.00 0.00 C ATOM 0 H THR A 37 0.337 1.982 -11.592 1.00 0.00 H new ATOM 0 HA THR A 37 -1.738 2.836 -13.367 1.00 0.00 H new ATOM 0 HB THR A 37 1.077 3.823 -12.919 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.394 4.007 -11.083 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.292 6.003 -13.857 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.200 4.690 -15.055 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.277 5.254 -14.237 1.00 0.00 H new ATOM 654 N MET A 38 1.066 1.603 -14.720 1.00 0.00 N ATOM 655 CA MET A 38 1.516 0.950 -15.969 1.00 0.00 C ATOM 656 C MET A 38 0.672 -0.292 -16.313 1.00 0.00 C ATOM 657 O MET A 38 0.459 -0.584 -17.488 1.00 0.00 O ATOM 658 CB MET A 38 3.021 0.628 -15.974 1.00 0.00 C ATOM 659 CG MET A 38 3.488 -0.311 -14.858 1.00 0.00 C ATOM 660 SD MET A 38 5.002 -1.234 -15.241 1.00 0.00 S ATOM 661 CE MET A 38 6.077 -0.762 -13.860 1.00 0.00 C ATOM 0 H MET A 38 1.754 1.607 -13.967 1.00 0.00 H new ATOM 0 HA MET A 38 1.355 1.684 -16.759 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.278 0.182 -16.935 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.577 1.562 -15.898 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.652 0.274 -13.953 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.690 -1.020 -14.639 1.00 0.00 H new ATOM 0 HE1 MET A 38 7.099 -1.077 -14.070 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.050 0.320 -13.731 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.729 -1.245 -12.947 1.00 0.00 H new ATOM 671 N PHE A 39 0.141 -0.973 -15.292 1.00 0.00 N ATOM 672 CA PHE A 39 -0.816 -2.061 -15.483 1.00 0.00 C ATOM 673 C PHE A 39 -2.122 -1.580 -16.116 1.00 0.00 C ATOM 674 O PHE A 39 -2.443 -2.018 -17.219 1.00 0.00 O ATOM 675 CB PHE A 39 -1.077 -2.796 -14.168 1.00 0.00 C ATOM 676 CG PHE A 39 -2.099 -3.909 -14.323 1.00 0.00 C ATOM 677 CD1 PHE A 39 -1.797 -5.030 -15.122 1.00 0.00 C ATOM 678 CD2 PHE A 39 -3.364 -3.806 -13.714 1.00 0.00 C ATOM 679 CE1 PHE A 39 -2.746 -6.051 -15.298 1.00 0.00 C ATOM 680 CE2 PHE A 39 -4.320 -4.821 -13.903 1.00 0.00 C ATOM 681 CZ PHE A 39 -4.011 -5.940 -14.697 1.00 0.00 C ATOM 0 H PHE A 39 0.363 -0.784 -14.315 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.366 -2.764 -16.184 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.142 -3.214 -13.796 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.428 -2.085 -13.420 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.832 -5.105 -15.601 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.601 -2.948 -13.102 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.504 -6.919 -15.894 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.292 -4.741 -13.438 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.748 -6.716 -14.845 1.00 0.00 H new ATOM 691 N GLN A 40 -2.865 -0.657 -15.487 1.00 0.00 N ATOM 692 CA GLN A 40 -4.126 -0.188 -16.092 1.00 0.00 C ATOM 693 C GLN A 40 -3.913 0.520 -17.445 1.00 0.00 C ATOM 694 O GLN A 40 -4.774 0.432 -18.321 1.00 0.00 O ATOM 695 CB GLN A 40 -4.928 0.660 -15.090 1.00 0.00 C ATOM 696 CG GLN A 40 -4.334 2.057 -14.863 1.00 0.00 C ATOM 697 CD GLN A 40 -4.867 2.717 -13.598 1.00 0.00 C ATOM 698 OE1 GLN A 40 -5.747 3.567 -13.618 1.00 0.00 O ATOM 699 NE2 GLN A 40 -4.336 2.355 -12.451 1.00 0.00 N ATOM 0 H GLN A 40 -2.629 -0.231 -14.591 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.725 -1.068 -16.326 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.952 0.762 -15.449 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.976 0.134 -14.136 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.248 1.981 -14.800 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.560 2.689 -15.722 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.602 1.647 -12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.658 2.782 -11.583 1.00 0.00 H new ATOM 708 N ALA A 41 -2.748 1.145 -17.663 1.00 0.00 N ATOM 709 CA ALA A 41 -2.343 1.653 -18.971 1.00 0.00 C ATOM 710 C ALA A 41 -2.188 0.522 -19.999 1.00 0.00 C ATOM 711 O ALA A 41 -2.835 0.559 -21.044 1.00 0.00 O ATOM 712 CB ALA A 41 -1.049 2.459 -18.819 1.00 0.00 C ATOM 0 H ALA A 41 -2.059 1.311 -16.929 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.127 2.307 -19.353 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.742 2.841 -19.793 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.218 3.294 -18.139 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.265 1.817 -18.417 1.00 0.00 H new ATOM 718 N ALA A 42 -1.417 -0.528 -19.697 1.00 0.00 N ATOM 719 CA ALA A 42 -1.294 -1.701 -20.562 1.00 0.00 C ATOM 720 C ALA A 42 -2.649 -2.366 -20.849 1.00 0.00 C ATOM 721 O ALA A 42 -2.903 -2.759 -21.981 1.00 0.00 O ATOM 722 CB ALA A 42 -0.304 -2.693 -19.938 1.00 0.00 C ATOM 0 H ALA A 42 -0.861 -0.586 -18.844 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.912 -1.371 -21.528 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.211 -3.568 -20.582 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.670 -2.216 -19.831 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.667 -3.001 -18.957 1.00 0.00 H new ATOM 728 N GLN A 43 -3.547 -2.428 -19.860 1.00 0.00 N ATOM 729 CA GLN A 43 -4.879 -3.019 -20.038 1.00 0.00 C ATOM 730 C GLN A 43 -5.787 -2.165 -20.947 1.00 0.00 C ATOM 731 O GLN A 43 -6.676 -2.708 -21.606 1.00 0.00 O ATOM 732 CB GLN A 43 -5.543 -3.286 -18.676 1.00 0.00 C ATOM 733 CG GLN A 43 -4.825 -4.357 -17.830 1.00 0.00 C ATOM 734 CD GLN A 43 -4.666 -5.707 -18.534 1.00 0.00 C ATOM 735 OE1 GLN A 43 -5.597 -6.264 -19.099 1.00 0.00 O ATOM 736 NE2 GLN A 43 -3.480 -6.280 -18.547 1.00 0.00 N ATOM 0 H GLN A 43 -3.374 -2.073 -18.920 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.741 -3.973 -20.547 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -5.578 -2.354 -18.111 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.574 -3.598 -18.841 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.838 -3.985 -17.554 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -5.380 -4.506 -16.904 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.691 -5.831 -18.081 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.350 -7.173 -19.023 1.00 0.00 H new ATOM 745 N LYS A 44 -5.513 -0.855 -21.045 1.00 0.00 N ATOM 746 CA LYS A 44 -6.186 0.021 -22.018 1.00 0.00 C ATOM 747 C LYS A 44 -5.576 -0.142 -23.411 1.00 0.00 C ATOM 748 O LYS A 44 -6.303 -0.345 -24.384 1.00 0.00 O ATOM 749 CB LYS A 44 -6.105 1.471 -21.512 1.00 0.00 C ATOM 750 CG LYS A 44 -6.992 2.425 -22.326 1.00 0.00 C ATOM 751 CD LYS A 44 -6.824 3.892 -21.906 1.00 0.00 C ATOM 752 CE LYS A 44 -7.089 4.112 -20.410 1.00 0.00 C ATOM 753 NZ LYS A 44 -7.083 5.558 -20.076 1.00 0.00 N ATOM 0 H LYS A 44 -4.827 -0.377 -20.460 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.236 -0.258 -22.109 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.405 1.505 -20.465 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.071 1.812 -21.558 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.751 2.324 -23.384 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.036 2.134 -22.207 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.812 4.221 -22.144 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.506 4.513 -22.487 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.051 3.677 -20.140 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.329 3.596 -19.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.060 5.676 -19.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.244 6.007 -20.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.941 6.006 -20.456 1.00 0.00 H new ATOM 767 N LEU A 45 -4.243 -0.141 -23.476 1.00 0.00 N ATOM 768 CA LEU A 45 -3.506 -0.429 -24.713 1.00 0.00 C ATOM 769 C LEU A 45 -3.527 -1.933 -25.145 1.00 0.00 C ATOM 770 O LEU A 45 -2.779 -2.313 -26.048 1.00 0.00 O ATOM 771 CB LEU A 45 -2.082 0.202 -24.622 1.00 0.00 C ATOM 772 CG LEU A 45 -1.923 1.751 -24.704 1.00 0.00 C ATOM 773 CD1 LEU A 45 -2.753 2.361 -25.835 1.00 0.00 C ATOM 774 CD2 LEU A 45 -2.270 2.500 -23.420 1.00 0.00 C ATOM 0 H LEU A 45 -3.643 0.059 -22.676 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.032 0.048 -25.540 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.640 -0.122 -23.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.481 -0.231 -25.422 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.857 1.878 -24.893 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.608 3.441 -25.851 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.435 1.939 -26.788 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.808 2.138 -25.673 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.129 3.570 -23.573 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.309 2.305 -23.155 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.620 2.160 -22.614 1.00 0.00 H new ATOM 786 N GLY A 46 -4.394 -2.777 -24.549 1.00 0.00 N ATOM 787 CA GLY A 46 -4.663 -4.136 -25.093 1.00 0.00 C ATOM 788 C GLY A 46 -4.010 -5.333 -24.373 1.00 0.00 C ATOM 789 O GLY A 46 -3.794 -6.392 -24.971 1.00 0.00 O ATOM 0 H GLY A 46 -4.916 -2.552 -23.702 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.742 -4.291 -25.093 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.339 -4.152 -26.134 1.00 0.00 H new ATOM 793 N GLY A 47 -3.706 -5.141 -23.092 1.00 0.00 N ATOM 794 CA GLY A 47 -2.897 -6.066 -22.302 1.00 0.00 C ATOM 795 C GLY A 47 -1.480 -6.269 -22.844 1.00 0.00 C ATOM 796 O GLY A 47 -1.128 -5.831 -23.944 1.00 0.00 O ATOM 0 H GLY A 47 -4.020 -4.326 -22.565 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.834 -5.696 -21.279 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.402 -7.031 -22.261 1.00 0.00 H new ATOM 800 N TYR A 48 -0.668 -7.000 -22.077 1.00 0.00 N ATOM 801 CA TYR A 48 0.655 -7.447 -22.539 1.00 0.00 C ATOM 802 C TYR A 48 0.625 -8.189 -23.893 1.00 0.00 C ATOM 803 O TYR A 48 1.633 -8.236 -24.599 1.00 0.00 O ATOM 804 CB TYR A 48 1.293 -8.313 -21.448 1.00 0.00 C ATOM 805 CG TYR A 48 2.786 -8.534 -21.615 1.00 0.00 C ATOM 806 CD1 TYR A 48 3.691 -7.537 -21.201 1.00 0.00 C ATOM 807 CD2 TYR A 48 3.271 -9.734 -22.171 1.00 0.00 C ATOM 808 CE1 TYR A 48 5.079 -7.749 -21.307 1.00 0.00 C ATOM 809 CE2 TYR A 48 4.657 -9.942 -22.297 1.00 0.00 C ATOM 810 CZ TYR A 48 5.564 -8.956 -21.855 1.00 0.00 C ATOM 811 OH TYR A 48 6.902 -9.179 -21.955 1.00 0.00 O ATOM 0 H TYR A 48 -0.901 -7.297 -21.130 1.00 0.00 H new ATOM 0 HA TYR A 48 1.258 -6.557 -22.718 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.113 -7.846 -20.479 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.794 -9.282 -21.432 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.319 -6.606 -20.800 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.579 -10.495 -22.501 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.770 -6.991 -20.970 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.027 -10.858 -22.733 1.00 0.00 H new ATOM 0 HH TYR A 48 7.058 -10.060 -22.354 1.00 0.00 H new ATOM 821 N GLU A 49 -0.524 -8.745 -24.294 1.00 0.00 N ATOM 822 CA GLU A 49 -0.622 -9.534 -25.532 1.00 0.00 C ATOM 823 C GLU A 49 -0.669 -8.657 -26.789 1.00 0.00 C ATOM 824 O GLU A 49 0.114 -8.885 -27.715 1.00 0.00 O ATOM 825 CB GLU A 49 -1.844 -10.459 -25.465 1.00 0.00 C ATOM 826 CG GLU A 49 -1.563 -11.644 -24.532 1.00 0.00 C ATOM 827 CD GLU A 49 -2.835 -12.461 -24.262 1.00 0.00 C ATOM 828 OE1 GLU A 49 -3.314 -13.185 -25.169 1.00 0.00 O ATOM 829 OE2 GLU A 49 -3.343 -12.392 -23.118 1.00 0.00 O ATOM 0 H GLU A 49 -1.401 -8.664 -23.780 1.00 0.00 H new ATOM 0 HA GLU A 49 0.284 -10.136 -25.610 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.711 -9.903 -25.107 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.089 -10.823 -26.463 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.804 -12.287 -24.977 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.157 -11.278 -23.589 1.00 0.00 H new ATOM 836 N THR A 50 -1.501 -7.607 -26.818 1.00 0.00 N ATOM 837 CA THR A 50 -1.444 -6.598 -27.891 1.00 0.00 C ATOM 838 C THR A 50 -0.112 -5.854 -27.849 1.00 0.00 C ATOM 839 O THR A 50 0.479 -5.588 -28.894 1.00 0.00 O ATOM 840 CB THR A 50 -2.602 -5.591 -27.819 1.00 0.00 C ATOM 841 OG1 THR A 50 -3.839 -6.273 -27.847 1.00 0.00 O ATOM 842 CG2 THR A 50 -2.624 -4.619 -29.000 1.00 0.00 C ATOM 0 H THR A 50 -2.219 -7.432 -26.115 1.00 0.00 H new ATOM 0 HA THR A 50 -1.538 -7.137 -28.834 1.00 0.00 H new ATOM 0 HB THR A 50 -2.452 -5.036 -26.893 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.121 -6.477 -26.931 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.464 -3.934 -28.891 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.694 -4.052 -29.022 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.730 -5.178 -29.930 1.00 0.00 H new ATOM 850 N ILE A 51 0.414 -5.592 -26.646 1.00 0.00 N ATOM 851 CA ILE A 51 1.751 -5.008 -26.478 1.00 0.00 C ATOM 852 C ILE A 51 2.841 -5.843 -27.169 1.00 0.00 C ATOM 853 O ILE A 51 3.673 -5.285 -27.881 1.00 0.00 O ATOM 854 CB ILE A 51 2.005 -4.763 -24.966 1.00 0.00 C ATOM 855 CG1 ILE A 51 1.790 -3.286 -24.586 1.00 0.00 C ATOM 856 CG2 ILE A 51 3.384 -5.211 -24.471 1.00 0.00 C ATOM 857 CD1 ILE A 51 0.313 -2.868 -24.612 1.00 0.00 C ATOM 0 H ILE A 51 -0.071 -5.777 -25.768 1.00 0.00 H new ATOM 0 HA ILE A 51 1.797 -4.043 -26.983 1.00 0.00 H new ATOM 0 HB ILE A 51 1.268 -5.392 -24.467 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.194 -3.111 -23.589 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.353 -2.654 -25.273 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.474 -5.002 -23.405 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.502 -6.281 -24.642 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.159 -4.669 -25.013 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.227 -1.817 -24.335 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.089 -3.013 -25.615 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.250 -3.477 -23.904 1.00 0.00 H new ATOM 869 N THR A 52 2.823 -7.165 -27.007 1.00 0.00 N ATOM 870 CA THR A 52 3.821 -8.049 -27.638 1.00 0.00 C ATOM 871 C THR A 52 3.588 -8.194 -29.141 1.00 0.00 C ATOM 872 O THR A 52 4.552 -8.204 -29.909 1.00 0.00 O ATOM 873 CB THR A 52 3.828 -9.421 -26.948 1.00 0.00 C ATOM 874 OG1 THR A 52 4.190 -9.228 -25.598 1.00 0.00 O ATOM 875 CG2 THR A 52 4.858 -10.392 -27.524 1.00 0.00 C ATOM 0 H THR A 52 2.129 -7.656 -26.444 1.00 0.00 H new ATOM 0 HA THR A 52 4.800 -7.587 -27.511 1.00 0.00 H new ATOM 0 HB THR A 52 2.834 -9.845 -27.088 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.416 -8.898 -25.096 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.805 -11.339 -26.987 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.648 -10.561 -28.580 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.857 -9.969 -27.416 1.00 0.00 H new ATOM 883 N ALA A 53 2.326 -8.223 -29.575 1.00 0.00 N ATOM 884 CA ALA A 53 1.985 -8.259 -30.996 1.00 0.00 C ATOM 885 C ALA A 53 2.303 -6.949 -31.753 1.00 0.00 C ATOM 886 O ALA A 53 2.459 -6.996 -32.978 1.00 0.00 O ATOM 887 CB ALA A 53 0.496 -8.608 -31.114 1.00 0.00 C ATOM 0 H ALA A 53 1.517 -8.222 -28.954 1.00 0.00 H new ATOM 0 HA ALA A 53 2.609 -9.015 -31.472 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.213 -8.642 -32.166 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.313 -9.581 -30.657 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.097 -7.850 -30.603 1.00 0.00 H new ATOM 893 N ARG A 54 2.403 -5.800 -31.056 1.00 0.00 N ATOM 894 CA ARG A 54 2.472 -4.479 -31.735 1.00 0.00 C ATOM 895 C ARG A 54 3.575 -3.521 -31.256 1.00 0.00 C ATOM 896 O ARG A 54 3.753 -2.472 -31.876 1.00 0.00 O ATOM 897 CB ARG A 54 1.105 -3.773 -31.592 1.00 0.00 C ATOM 898 CG ARG A 54 -0.107 -4.503 -32.202 1.00 0.00 C ATOM 899 CD ARG A 54 -0.045 -4.660 -33.730 1.00 0.00 C ATOM 900 NE ARG A 54 0.034 -3.362 -34.434 1.00 0.00 N ATOM 901 CZ ARG A 54 -0.959 -2.531 -34.705 1.00 0.00 C ATOM 902 NH1 ARG A 54 -2.193 -2.781 -34.367 1.00 0.00 N ATOM 903 NH2 ARG A 54 -0.726 -1.416 -35.334 1.00 0.00 N ATOM 0 H ARG A 54 2.438 -5.753 -30.038 1.00 0.00 H new ATOM 0 HA ARG A 54 2.729 -4.709 -32.769 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.911 -3.615 -30.531 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.179 -2.788 -32.053 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.187 -5.491 -31.749 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.014 -3.958 -31.941 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.822 -5.265 -33.994 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.927 -5.201 -34.072 1.00 0.00 H new ATOM 0 HE ARG A 54 0.961 -3.074 -34.747 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.422 -3.644 -33.874 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.930 -2.113 -34.595 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.224 -1.181 -35.620 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.494 -0.777 -35.541 1.00 0.00 H new ATOM 917 N ARG A 55 4.315 -3.849 -30.185 1.00 0.00 N ATOM 918 CA ARG A 55 5.246 -2.936 -29.472 1.00 0.00 C ATOM 919 C ARG A 55 4.524 -1.636 -29.105 1.00 0.00 C ATOM 920 O ARG A 55 4.920 -0.523 -29.450 1.00 0.00 O ATOM 921 CB ARG A 55 6.580 -2.774 -30.240 1.00 0.00 C ATOM 922 CG ARG A 55 7.169 -4.094 -30.782 1.00 0.00 C ATOM 923 CD ARG A 55 7.412 -5.181 -29.717 1.00 0.00 C ATOM 924 NE ARG A 55 6.977 -6.515 -30.185 1.00 0.00 N ATOM 925 CZ ARG A 55 7.633 -7.366 -30.950 1.00 0.00 C ATOM 926 NH1 ARG A 55 8.829 -7.128 -31.409 1.00 0.00 N ATOM 927 NH2 ARG A 55 7.067 -8.492 -31.269 1.00 0.00 N ATOM 0 H ARG A 55 4.287 -4.782 -29.773 1.00 0.00 H new ATOM 0 HA ARG A 55 5.551 -3.374 -28.521 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.424 -2.090 -31.075 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.311 -2.308 -29.579 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.494 -4.492 -31.539 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.114 -3.876 -31.280 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.472 -5.212 -29.465 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.874 -4.923 -28.805 1.00 0.00 H new ATOM 0 HE ARG A 55 6.052 -6.815 -29.877 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.298 -6.252 -31.180 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.296 -7.818 -31.998 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.130 -8.706 -30.929 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.560 -9.161 -31.860 1.00 0.00 H new ATOM 941 N GLN A 56 3.416 -1.844 -28.387 1.00 0.00 N ATOM 942 CA GLN A 56 2.479 -0.763 -28.058 1.00 0.00 C ATOM 943 C GLN A 56 2.913 0.049 -26.818 1.00 0.00 C ATOM 944 O GLN A 56 2.224 0.998 -26.451 1.00 0.00 O ATOM 945 CB GLN A 56 1.051 -1.328 -27.907 1.00 0.00 C ATOM 946 CG GLN A 56 -0.049 -0.403 -28.461 1.00 0.00 C ATOM 947 CD GLN A 56 -0.300 -0.612 -29.956 1.00 0.00 C ATOM 948 OE1 GLN A 56 -0.926 -1.576 -30.371 1.00 0.00 O ATOM 949 NE2 GLN A 56 0.152 0.259 -30.833 1.00 0.00 N ATOM 0 H GLN A 56 3.144 -2.756 -28.020 1.00 0.00 H new ATOM 0 HA GLN A 56 2.486 -0.056 -28.887 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.995 -2.289 -28.418 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.855 -1.517 -26.851 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.975 -0.578 -27.913 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.233 0.635 -28.286 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.678 1.074 -30.518 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.024 0.119 -31.828 1.00 0.00 H new ATOM 958 N TRP A 57 4.058 -0.262 -26.185 1.00 0.00 N ATOM 959 CA TRP A 57 4.619 0.524 -25.071 1.00 0.00 C ATOM 960 C TRP A 57 4.799 2.006 -25.403 1.00 0.00 C ATOM 961 O TRP A 57 4.595 2.846 -24.529 1.00 0.00 O ATOM 962 CB TRP A 57 5.942 -0.062 -24.568 1.00 0.00 C ATOM 963 CG TRP A 57 5.809 -1.347 -23.830 1.00 0.00 C ATOM 964 CD1 TRP A 57 6.009 -2.581 -24.339 1.00 0.00 C ATOM 965 CD2 TRP A 57 5.438 -1.535 -22.432 1.00 0.00 C ATOM 966 NE1 TRP A 57 5.759 -3.517 -23.358 1.00 0.00 N ATOM 967 CE2 TRP A 57 5.387 -2.933 -22.166 1.00 0.00 C ATOM 968 CE3 TRP A 57 5.120 -0.664 -21.368 1.00 0.00 C ATOM 969 CZ2 TRP A 57 5.010 -3.445 -20.917 1.00 0.00 C ATOM 970 CZ3 TRP A 57 4.757 -1.162 -20.107 1.00 0.00 C ATOM 971 CH2 TRP A 57 4.696 -2.546 -19.885 1.00 0.00 C ATOM 0 H TRP A 57 4.625 -1.073 -26.434 1.00 0.00 H new ATOM 0 HA TRP A 57 3.877 0.458 -24.275 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.604 -0.214 -25.420 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.423 0.668 -23.917 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.315 -2.800 -25.351 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.840 -4.524 -23.498 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.157 0.404 -21.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 4.962 -4.511 -20.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.524 -0.478 -19.305 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.406 -2.922 -18.915 1.00 0.00 H new ATOM 982 N LYS A 58 5.068 2.362 -26.663 1.00 0.00 N ATOM 983 CA LYS A 58 5.087 3.778 -27.094 1.00 0.00 C ATOM 984 C LYS A 58 3.752 4.512 -26.859 1.00 0.00 C ATOM 985 O LYS A 58 3.753 5.728 -26.676 1.00 0.00 O ATOM 986 CB LYS A 58 5.550 3.889 -28.559 1.00 0.00 C ATOM 987 CG LYS A 58 6.957 3.320 -28.834 1.00 0.00 C ATOM 988 CD LYS A 58 8.083 4.012 -28.044 1.00 0.00 C ATOM 989 CE LYS A 58 9.440 3.446 -28.483 1.00 0.00 C ATOM 990 NZ LYS A 58 10.577 4.113 -27.799 1.00 0.00 N ATOM 0 H LYS A 58 5.276 1.696 -27.407 1.00 0.00 H new ATOM 0 HA LYS A 58 5.811 4.289 -26.459 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.832 3.369 -29.193 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.533 4.939 -28.853 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.960 2.257 -28.594 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.170 3.406 -29.900 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.053 5.088 -28.215 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.941 3.855 -26.975 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.470 2.377 -28.274 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.548 3.563 -29.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.462 3.621 -28.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.637 5.103 -28.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.429 4.083 -26.770 1.00 0.00 H new ATOM 1004 N HIS A 59 2.634 3.781 -26.783 1.00 0.00 N ATOM 1005 CA HIS A 59 1.328 4.344 -26.409 1.00 0.00 C ATOM 1006 C HIS A 59 1.010 4.150 -24.910 1.00 0.00 C ATOM 1007 O HIS A 59 0.171 4.861 -24.356 1.00 0.00 O ATOM 1008 CB HIS A 59 0.233 3.690 -27.264 1.00 0.00 C ATOM 1009 CG HIS A 59 0.454 3.732 -28.760 1.00 0.00 C ATOM 1010 ND1 HIS A 59 -0.308 4.422 -29.676 1.00 0.00 N ATOM 1011 CD2 HIS A 59 1.378 3.014 -29.472 1.00 0.00 C ATOM 1012 CE1 HIS A 59 0.145 4.128 -30.908 1.00 0.00 C ATOM 1013 NE2 HIS A 59 1.172 3.261 -30.833 1.00 0.00 N ATOM 0 H HIS A 59 2.608 2.780 -26.979 1.00 0.00 H new ATOM 0 HA HIS A 59 1.364 5.418 -26.592 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.134 2.648 -26.959 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.716 4.179 -27.042 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.136 2.368 -29.054 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.258 4.530 -31.826 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.695 2.864 -31.613 1.00 0.00 H new ATOM 1021 N ILE A 60 1.694 3.232 -24.212 1.00 0.00 N ATOM 1022 CA ILE A 60 1.644 3.190 -22.743 1.00 0.00 C ATOM 1023 C ILE A 60 2.335 4.454 -22.238 1.00 0.00 C ATOM 1024 O ILE A 60 1.756 5.142 -21.412 1.00 0.00 O ATOM 1025 CB ILE A 60 2.247 1.896 -22.155 1.00 0.00 C ATOM 1026 CG1 ILE A 60 1.285 0.727 -22.467 1.00 0.00 C ATOM 1027 CG2 ILE A 60 2.482 2.030 -20.636 1.00 0.00 C ATOM 1028 CD1 ILE A 60 1.844 -0.656 -22.129 1.00 0.00 C ATOM 0 H ILE A 60 2.283 2.515 -24.636 1.00 0.00 H new ATOM 0 HA ILE A 60 0.608 3.168 -22.404 1.00 0.00 H new ATOM 0 HB ILE A 60 3.219 1.705 -22.609 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.358 0.877 -21.913 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.031 0.754 -23.527 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.907 1.103 -20.250 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.172 2.852 -20.446 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.533 2.229 -20.137 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.106 -1.418 -22.379 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.754 -0.831 -22.703 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.071 -0.706 -21.064 1.00 0.00 H new ATOM 1040 N TYR A 61 3.481 4.843 -22.811 1.00 0.00 N ATOM 1041 CA TYR A 61 4.118 6.148 -22.581 1.00 0.00 C ATOM 1042 C TYR A 61 3.156 7.334 -22.828 1.00 0.00 C ATOM 1043 O TYR A 61 3.230 8.354 -22.141 1.00 0.00 O ATOM 1044 CB TYR A 61 5.375 6.240 -23.459 1.00 0.00 C ATOM 1045 CG TYR A 61 6.071 7.589 -23.488 1.00 0.00 C ATOM 1046 CD1 TYR A 61 6.957 7.961 -22.456 1.00 0.00 C ATOM 1047 CD2 TYR A 61 5.857 8.457 -24.578 1.00 0.00 C ATOM 1048 CE1 TYR A 61 7.632 9.198 -22.515 1.00 0.00 C ATOM 1049 CE2 TYR A 61 6.529 9.692 -24.640 1.00 0.00 C ATOM 1050 CZ TYR A 61 7.420 10.065 -23.611 1.00 0.00 C ATOM 1051 OH TYR A 61 8.073 11.255 -23.697 1.00 0.00 O ATOM 0 H TYR A 61 4.001 4.251 -23.458 1.00 0.00 H new ATOM 0 HA TYR A 61 4.398 6.220 -21.530 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.090 5.492 -23.115 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.101 5.973 -24.480 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.119 7.298 -21.619 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.176 8.174 -25.367 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.310 9.482 -21.724 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.363 10.355 -25.476 1.00 0.00 H new ATOM 0 HH TYR A 61 8.576 11.412 -22.871 1.00 0.00 H new ATOM 1061 N ASP A 62 2.217 7.151 -23.764 1.00 0.00 N ATOM 1062 CA ASP A 62 1.143 8.127 -24.002 1.00 0.00 C ATOM 1063 C ASP A 62 0.171 8.217 -22.812 1.00 0.00 C ATOM 1064 O ASP A 62 -0.046 9.305 -22.275 1.00 0.00 O ATOM 1065 CB ASP A 62 0.423 7.912 -25.341 1.00 0.00 C ATOM 1066 CG ASP A 62 -0.441 9.132 -25.700 1.00 0.00 C ATOM 1067 OD1 ASP A 62 0.119 10.157 -26.156 1.00 0.00 O ATOM 1068 OD2 ASP A 62 -1.684 9.067 -25.542 1.00 0.00 O ATOM 0 H ASP A 62 2.178 6.333 -24.372 1.00 0.00 H new ATOM 0 HA ASP A 62 1.626 9.100 -24.084 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.156 7.736 -26.128 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.203 7.022 -25.283 1.00 0.00 H new ATOM 1073 N GLU A 63 -0.343 7.080 -22.333 1.00 0.00 N ATOM 1074 CA GLU A 63 -1.144 7.039 -21.096 1.00 0.00 C ATOM 1075 C GLU A 63 -0.371 7.469 -19.822 1.00 0.00 C ATOM 1076 O GLU A 63 -0.948 8.134 -18.958 1.00 0.00 O ATOM 1077 CB GLU A 63 -1.742 5.631 -20.945 1.00 0.00 C ATOM 1078 CG GLU A 63 -2.661 5.451 -19.726 1.00 0.00 C ATOM 1079 CD GLU A 63 -3.878 6.393 -19.706 1.00 0.00 C ATOM 1080 OE1 GLU A 63 -4.558 6.545 -20.748 1.00 0.00 O ATOM 1081 OE2 GLU A 63 -4.236 6.914 -18.625 1.00 0.00 O ATOM 0 H GLU A 63 -0.221 6.172 -22.781 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.937 7.781 -21.194 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.306 5.392 -21.847 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.927 4.910 -20.878 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.014 4.420 -19.701 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.078 5.611 -18.819 1.00 0.00 H new ATOM 1088 N LEU A 64 0.928 7.154 -19.703 1.00 0.00 N ATOM 1089 CA LEU A 64 1.807 7.628 -18.618 1.00 0.00 C ATOM 1090 C LEU A 64 1.982 9.158 -18.634 1.00 0.00 C ATOM 1091 O LEU A 64 2.272 9.751 -17.591 1.00 0.00 O ATOM 1092 CB LEU A 64 3.213 6.978 -18.697 1.00 0.00 C ATOM 1093 CG LEU A 64 3.304 5.452 -18.518 1.00 0.00 C ATOM 1094 CD1 LEU A 64 4.762 4.999 -18.613 1.00 0.00 C ATOM 1095 CD2 LEU A 64 2.718 4.970 -17.189 1.00 0.00 C ATOM 0 H LEU A 64 1.408 6.551 -20.371 1.00 0.00 H new ATOM 0 HA LEU A 64 1.314 7.334 -17.691 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.645 7.229 -19.666 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.841 7.443 -17.938 1.00 0.00 H new ATOM 0 HG LEU A 64 2.711 5.011 -19.319 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.816 3.918 -18.485 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.164 5.270 -19.589 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.346 5.486 -17.832 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.812 3.886 -17.122 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.259 5.433 -16.364 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.665 5.247 -17.134 1.00 0.00 H new ATOM 1107 N GLY A 65 1.843 9.786 -19.809 1.00 0.00 N ATOM 1108 CA GLY A 65 2.207 11.194 -19.996 1.00 0.00 C ATOM 1109 C GLY A 65 3.671 11.475 -19.628 1.00 0.00 C ATOM 1110 O GLY A 65 3.959 12.507 -19.014 1.00 0.00 O ATOM 0 H GLY A 65 1.478 9.336 -20.649 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.036 11.475 -21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.555 11.819 -19.385 1.00 0.00 H new ATOM 1114 N GLY A 66 4.573 10.524 -19.918 1.00 0.00 N ATOM 1115 CA GLY A 66 5.950 10.564 -19.418 1.00 0.00 C ATOM 1116 C GLY A 66 6.822 11.739 -19.874 1.00 0.00 C ATOM 1117 O GLY A 66 6.467 12.531 -20.751 1.00 0.00 O ATOM 0 H GLY A 66 4.367 9.713 -20.501 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.915 10.571 -18.329 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.445 9.639 -19.715 1.00 0.00 H new ATOM 1121 N ASN A 67 7.996 11.831 -19.242 1.00 0.00 N ATOM 1122 CA ASN A 67 8.983 12.901 -19.415 1.00 0.00 C ATOM 1123 C ASN A 67 9.367 13.147 -20.900 1.00 0.00 C ATOM 1124 O ASN A 67 9.653 12.172 -21.607 1.00 0.00 O ATOM 1125 CB ASN A 67 10.200 12.498 -18.568 1.00 0.00 C ATOM 1126 CG ASN A 67 11.343 13.497 -18.658 1.00 0.00 C ATOM 1127 OD1 ASN A 67 11.245 14.630 -18.210 1.00 0.00 O ATOM 1128 ND2 ASN A 67 12.454 13.119 -19.244 1.00 0.00 N ATOM 0 H ASN A 67 8.298 11.130 -18.565 1.00 0.00 H new ATOM 0 HA ASN A 67 8.565 13.853 -19.088 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.894 12.397 -17.527 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.554 11.519 -18.892 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.235 13.770 -19.325 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.537 12.174 -19.618 1.00 0.00 H new ATOM 1135 N PRO A 68 9.420 14.413 -21.381 1.00 0.00 N ATOM 1136 CA PRO A 68 9.806 14.784 -22.754 1.00 0.00 C ATOM 1137 C PRO A 68 11.323 14.627 -23.008 1.00 0.00 C ATOM 1138 O PRO A 68 12.072 15.595 -23.170 1.00 0.00 O ATOM 1139 CB PRO A 68 9.280 16.212 -22.951 1.00 0.00 C ATOM 1140 CG PRO A 68 9.365 16.805 -21.548 1.00 0.00 C ATOM 1141 CD PRO A 68 9.001 15.614 -20.663 1.00 0.00 C ATOM 0 HA PRO A 68 9.369 14.114 -23.495 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.887 16.771 -23.663 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.258 16.217 -23.330 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.363 17.184 -21.328 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.672 17.636 -21.416 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.502 15.682 -19.697 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.929 15.592 -20.465 1.00 0.00 H new ATOM 1149 N GLY A 69 11.767 13.369 -23.005 1.00 0.00 N ATOM 1150 CA GLY A 69 13.181 13.009 -23.203 1.00 0.00 C ATOM 1151 C GLY A 69 13.512 11.594 -22.709 1.00 0.00 C ATOM 1152 O GLY A 69 14.642 11.328 -22.295 1.00 0.00 O ATOM 0 H GLY A 69 11.157 12.564 -22.865 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.425 13.085 -24.263 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.811 13.728 -22.679 1.00 0.00 H new ATOM 1156 N SER A 70 12.508 10.708 -22.730 1.00 0.00 N ATOM 1157 CA SER A 70 12.591 9.381 -22.098 1.00 0.00 C ATOM 1158 C SER A 70 11.880 8.344 -22.973 1.00 0.00 C ATOM 1159 O SER A 70 11.066 7.563 -22.494 1.00 0.00 O ATOM 1160 CB SER A 70 11.999 9.431 -20.680 1.00 0.00 C ATOM 1161 OG SER A 70 12.747 10.311 -19.855 1.00 0.00 O ATOM 0 H SER A 70 11.614 10.889 -23.186 1.00 0.00 H new ATOM 0 HA SER A 70 13.636 9.084 -22.008 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.961 9.761 -20.725 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.997 8.431 -20.246 1.00 0.00 H new ATOM 0 HG SER A 70 13.109 9.815 -19.091 1.00 0.00 H new ATOM 1167 N THR A 71 12.173 8.335 -24.279 1.00 0.00 N ATOM 1168 CA THR A 71 11.676 7.312 -25.227 1.00 0.00 C ATOM 1169 C THR A 71 12.086 5.876 -24.840 1.00 0.00 C ATOM 1170 O THR A 71 11.442 4.903 -25.238 1.00 0.00 O ATOM 1171 CB THR A 71 12.099 7.676 -26.661 1.00 0.00 C ATOM 1172 OG1 THR A 71 11.363 6.923 -27.606 1.00 0.00 O ATOM 1173 CG2 THR A 71 13.585 7.454 -26.950 1.00 0.00 C ATOM 0 H THR A 71 12.766 9.040 -24.718 1.00 0.00 H new ATOM 0 HA THR A 71 10.587 7.316 -25.176 1.00 0.00 H new ATOM 0 HB THR A 71 11.893 8.743 -26.749 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.421 6.891 -27.337 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.801 7.734 -27.981 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.182 8.066 -26.275 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.832 6.403 -26.800 1.00 0.00 H new ATOM 1181 N SER A 72 13.140 5.732 -24.027 1.00 0.00 N ATOM 1182 CA SER A 72 13.547 4.487 -23.363 1.00 0.00 C ATOM 1183 C SER A 72 12.540 4.012 -22.303 1.00 0.00 C ATOM 1184 O SER A 72 12.380 2.803 -22.117 1.00 0.00 O ATOM 1185 CB SER A 72 14.917 4.693 -22.704 1.00 0.00 C ATOM 1186 OG SER A 72 14.905 5.861 -21.892 1.00 0.00 O ATOM 0 H SER A 72 13.758 6.512 -23.805 1.00 0.00 H new ATOM 0 HA SER A 72 13.592 3.713 -24.130 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.171 3.823 -22.098 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.687 4.783 -23.470 1.00 0.00 H new ATOM 0 HG SER A 72 15.785 5.979 -21.476 1.00 0.00 H new ATOM 1192 N ALA A 73 11.830 4.931 -21.636 1.00 0.00 N ATOM 1193 CA ALA A 73 10.703 4.574 -20.770 1.00 0.00 C ATOM 1194 C ALA A 73 9.589 3.876 -21.571 1.00 0.00 C ATOM 1195 O ALA A 73 9.492 4.042 -22.789 1.00 0.00 O ATOM 1196 CB ALA A 73 10.178 5.810 -20.030 1.00 0.00 C ATOM 0 H ALA A 73 12.019 5.932 -21.681 1.00 0.00 H new ATOM 0 HA ALA A 73 11.056 3.864 -20.022 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.342 5.524 -19.392 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.974 6.232 -19.417 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.845 6.553 -20.754 1.00 0.00 H new ATOM 1202 N ALA A 74 8.752 3.087 -20.891 1.00 0.00 N ATOM 1203 CA ALA A 74 7.800 2.135 -21.477 1.00 0.00 C ATOM 1204 C ALA A 74 8.500 0.977 -22.236 1.00 0.00 C ATOM 1205 O ALA A 74 8.197 -0.192 -22.005 1.00 0.00 O ATOM 1206 CB ALA A 74 6.720 2.897 -22.253 1.00 0.00 C ATOM 0 H ALA A 74 8.717 3.094 -19.872 1.00 0.00 H new ATOM 0 HA ALA A 74 7.274 1.604 -20.683 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.015 2.188 -22.687 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.190 3.567 -21.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.186 3.478 -23.049 1.00 0.00 H new ATOM 1212 N THR A 75 9.512 1.262 -23.060 1.00 0.00 N ATOM 1213 CA THR A 75 10.283 0.221 -23.767 1.00 0.00 C ATOM 1214 C THR A 75 11.150 -0.617 -22.817 1.00 0.00 C ATOM 1215 O THR A 75 11.089 -1.846 -22.861 1.00 0.00 O ATOM 1216 CB THR A 75 11.137 0.875 -24.869 1.00 0.00 C ATOM 1217 OG1 THR A 75 10.299 1.549 -25.789 1.00 0.00 O ATOM 1218 CG2 THR A 75 11.949 -0.127 -25.689 1.00 0.00 C ATOM 0 H THR A 75 9.823 2.213 -23.259 1.00 0.00 H new ATOM 0 HA THR A 75 9.575 -0.472 -24.221 1.00 0.00 H new ATOM 0 HB THR A 75 11.820 1.545 -24.347 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.825 1.827 -26.568 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.526 0.405 -26.446 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.627 -0.670 -25.031 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.274 -0.831 -26.176 1.00 0.00 H new ATOM 1226 N CYS A 76 11.899 0.009 -21.901 1.00 0.00 N ATOM 1227 CA CYS A 76 12.598 -0.699 -20.817 1.00 0.00 C ATOM 1228 C CYS A 76 11.609 -1.249 -19.776 1.00 0.00 C ATOM 1229 O CYS A 76 11.817 -2.332 -19.230 1.00 0.00 O ATOM 1230 CB CYS A 76 13.614 0.243 -20.151 1.00 0.00 C ATOM 1231 SG CYS A 76 14.864 0.777 -21.358 1.00 0.00 S ATOM 0 H CYS A 76 12.039 1.019 -21.889 1.00 0.00 H new ATOM 0 HA CYS A 76 13.126 -1.549 -21.248 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.100 1.112 -19.741 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.098 -0.264 -19.316 1.00 0.00 H new ATOM 0 HG CYS A 76 14.380 1.738 -22.088 1.00 0.00 H new ATOM 1237 N THR A 77 10.502 -0.529 -19.559 1.00 0.00 N ATOM 1238 CA THR A 77 9.408 -0.989 -18.685 1.00 0.00 C ATOM 1239 C THR A 77 8.862 -2.375 -19.047 1.00 0.00 C ATOM 1240 O THR A 77 8.453 -3.098 -18.137 1.00 0.00 O ATOM 1241 CB THR A 77 8.268 0.035 -18.691 1.00 0.00 C ATOM 1242 OG1 THR A 77 8.782 1.343 -18.523 1.00 0.00 O ATOM 1243 CG2 THR A 77 7.203 -0.187 -17.633 1.00 0.00 C ATOM 0 H THR A 77 10.336 0.385 -19.980 1.00 0.00 H new ATOM 0 HA THR A 77 9.837 -1.080 -17.687 1.00 0.00 H new ATOM 0 HB THR A 77 7.788 -0.095 -19.661 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.369 1.366 -17.738 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.440 0.587 -17.717 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.745 -1.165 -17.778 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.658 -0.142 -16.644 1.00 0.00 H new ATOM 1251 N ARG A 78 8.940 -2.814 -20.319 1.00 0.00 N ATOM 1252 CA ARG A 78 8.578 -4.186 -20.707 1.00 0.00 C ATOM 1253 C ARG A 78 9.336 -5.210 -19.878 1.00 0.00 C ATOM 1254 O ARG A 78 8.755 -6.214 -19.465 1.00 0.00 O ATOM 1255 CB ARG A 78 8.865 -4.392 -22.211 1.00 0.00 C ATOM 1256 CG ARG A 78 8.412 -5.776 -22.714 1.00 0.00 C ATOM 1257 CD ARG A 78 8.695 -5.989 -24.209 1.00 0.00 C ATOM 1258 NE ARG A 78 8.407 -7.386 -24.604 1.00 0.00 N ATOM 1259 CZ ARG A 78 7.237 -7.908 -24.932 1.00 0.00 C ATOM 1260 NH1 ARG A 78 6.173 -7.189 -25.120 1.00 0.00 N ATOM 1261 NH2 ARG A 78 7.082 -9.189 -25.084 1.00 0.00 N ATOM 0 H ARG A 78 9.253 -2.232 -21.097 1.00 0.00 H new ATOM 0 HA ARG A 78 7.514 -4.330 -20.519 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.357 -3.617 -22.784 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.933 -4.275 -22.393 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.920 -6.550 -22.139 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.344 -5.892 -22.531 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.085 -5.306 -24.800 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.737 -5.753 -24.424 1.00 0.00 H new ATOM 0 HE ARG A 78 9.205 -8.021 -24.626 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.217 -6.175 -25.016 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.292 -7.638 -25.372 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.874 -9.818 -24.950 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.169 -9.566 -25.337 1.00 0.00 H new ATOM 1275 N ARG A 79 10.616 -4.934 -19.601 1.00 0.00 N ATOM 1276 CA ARG A 79 11.474 -5.871 -18.884 1.00 0.00 C ATOM 1277 C ARG A 79 11.169 -5.940 -17.384 1.00 0.00 C ATOM 1278 O ARG A 79 11.400 -6.971 -16.755 1.00 0.00 O ATOM 1279 CB ARG A 79 12.962 -5.566 -19.133 1.00 0.00 C ATOM 1280 CG ARG A 79 13.330 -5.570 -20.629 1.00 0.00 C ATOM 1281 CD ARG A 79 14.834 -5.367 -20.859 1.00 0.00 C ATOM 1282 NE ARG A 79 15.626 -6.538 -20.426 1.00 0.00 N ATOM 1283 CZ ARG A 79 16.944 -6.642 -20.423 1.00 0.00 C ATOM 1284 NH1 ARG A 79 17.718 -5.670 -20.816 1.00 0.00 N ATOM 1285 NH2 ARG A 79 17.517 -7.740 -20.022 1.00 0.00 N ATOM 0 H ARG A 79 11.077 -4.064 -19.866 1.00 0.00 H new ATOM 0 HA ARG A 79 11.251 -6.858 -19.288 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.205 -4.593 -18.706 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.572 -6.304 -18.612 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.021 -6.516 -21.074 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.777 -4.781 -21.139 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.016 -5.178 -21.917 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.167 -4.483 -20.315 1.00 0.00 H new ATOM 0 HE ARG A 79 15.102 -7.348 -20.096 1.00 0.00 H new ATOM 0 HH11 ARG A 79 17.311 -4.793 -21.140 1.00 0.00 H new ATOM 0 HH12 ARG A 79 18.731 -5.786 -20.800 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.949 -8.526 -19.708 1.00 0.00 H new ATOM 0 HH22 ARG A 79 18.534 -7.814 -20.022 1.00 0.00 H new ATOM 1299 N HIS A 80 10.610 -4.867 -16.821 1.00 0.00 N ATOM 1300 CA HIS A 80 10.064 -4.845 -15.464 1.00 0.00 C ATOM 1301 C HIS A 80 8.702 -5.557 -15.419 1.00 0.00 C ATOM 1302 O HIS A 80 8.532 -6.486 -14.633 1.00 0.00 O ATOM 1303 CB HIS A 80 9.996 -3.391 -14.965 1.00 0.00 C ATOM 1304 CG HIS A 80 11.327 -2.669 -15.023 1.00 0.00 C ATOM 1305 ND1 HIS A 80 11.516 -1.330 -15.289 1.00 0.00 N ATOM 1306 CD2 HIS A 80 12.574 -3.210 -14.822 1.00 0.00 C ATOM 1307 CE1 HIS A 80 12.834 -1.073 -15.249 1.00 0.00 C ATOM 1308 NE2 HIS A 80 13.525 -2.191 -14.970 1.00 0.00 N ATOM 0 H HIS A 80 10.523 -3.973 -17.305 1.00 0.00 H new ATOM 0 HA HIS A 80 10.719 -5.394 -14.788 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.268 -2.843 -15.564 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.633 -3.385 -13.937 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.785 -4.243 -14.590 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.277 -0.102 -15.418 1.00 0.00 H new ATOM 0 HE2 HIS A 80 14.537 -2.280 -14.883 1.00 0.00 H new ATOM 1316 N TYR A 81 7.761 -5.218 -16.312 1.00 0.00 N ATOM 1317 CA TYR A 81 6.413 -5.809 -16.354 1.00 0.00 C ATOM 1318 C TYR A 81 6.434 -7.340 -16.478 1.00 0.00 C ATOM 1319 O TYR A 81 5.646 -8.020 -15.816 1.00 0.00 O ATOM 1320 CB TYR A 81 5.625 -5.172 -17.512 1.00 0.00 C ATOM 1321 CG TYR A 81 4.133 -5.492 -17.569 1.00 0.00 C ATOM 1322 CD1 TYR A 81 3.685 -6.767 -17.976 1.00 0.00 C ATOM 1323 CD2 TYR A 81 3.185 -4.493 -17.270 1.00 0.00 C ATOM 1324 CE1 TYR A 81 2.307 -7.047 -18.060 1.00 0.00 C ATOM 1325 CE2 TYR A 81 1.808 -4.749 -17.424 1.00 0.00 C ATOM 1326 CZ TYR A 81 1.359 -6.032 -17.806 1.00 0.00 C ATOM 1327 OH TYR A 81 0.025 -6.285 -17.888 1.00 0.00 O ATOM 0 H TYR A 81 7.916 -4.516 -17.036 1.00 0.00 H new ATOM 0 HA TYR A 81 5.921 -5.595 -15.405 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.741 -4.090 -17.451 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.079 -5.489 -18.451 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.404 -7.534 -18.225 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.516 -3.526 -16.921 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.975 -8.041 -18.320 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.092 -3.960 -17.249 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.116 -7.235 -18.082 1.00 0.00 H new ATOM 1337 N GLU A 82 7.372 -7.907 -17.253 1.00 0.00 N ATOM 1338 CA GLU A 82 7.460 -9.348 -17.495 1.00 0.00 C ATOM 1339 C GLU A 82 7.924 -10.139 -16.262 1.00 0.00 C ATOM 1340 O GLU A 82 7.921 -11.372 -16.287 1.00 0.00 O ATOM 1341 CB GLU A 82 8.286 -9.666 -18.751 1.00 0.00 C ATOM 1342 CG GLU A 82 9.794 -9.507 -18.579 1.00 0.00 C ATOM 1343 CD GLU A 82 10.556 -10.120 -19.767 1.00 0.00 C ATOM 1344 OE1 GLU A 82 10.668 -11.372 -19.820 1.00 0.00 O ATOM 1345 OE2 GLU A 82 11.063 -9.366 -20.631 1.00 0.00 O ATOM 0 H GLU A 82 8.095 -7.370 -17.732 1.00 0.00 H new ATOM 0 HA GLU A 82 6.444 -9.690 -17.691 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.075 -10.690 -19.058 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.956 -9.016 -19.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.043 -8.450 -18.490 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.110 -9.988 -17.653 1.00 0.00 H new ATOM 1352 N ARG A 83 8.303 -9.434 -15.181 1.00 0.00 N ATOM 1353 CA ARG A 83 8.554 -10.055 -13.874 1.00 0.00 C ATOM 1354 C ARG A 83 7.742 -9.447 -12.723 1.00 0.00 C ATOM 1355 O ARG A 83 7.759 -10.006 -11.629 1.00 0.00 O ATOM 1356 CB ARG A 83 10.061 -10.017 -13.540 1.00 0.00 C ATOM 1357 CG ARG A 83 10.965 -10.789 -14.511 1.00 0.00 C ATOM 1358 CD ARG A 83 10.691 -12.302 -14.518 1.00 0.00 C ATOM 1359 NE ARG A 83 11.553 -12.988 -15.500 1.00 0.00 N ATOM 1360 CZ ARG A 83 11.368 -13.031 -16.809 1.00 0.00 C ATOM 1361 NH1 ARG A 83 10.272 -12.627 -17.377 1.00 0.00 N ATOM 1362 NH2 ARG A 83 12.306 -13.464 -17.600 1.00 0.00 N ATOM 0 H ARG A 83 8.442 -8.424 -15.191 1.00 0.00 H new ATOM 0 HA ARG A 83 8.217 -11.087 -13.968 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.385 -8.977 -13.516 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.205 -10.419 -12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.825 -10.396 -15.518 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.007 -10.616 -14.243 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.867 -12.712 -13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.643 -12.485 -14.757 1.00 0.00 H new ATOM 0 HE ARG A 83 12.370 -13.476 -15.134 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.509 -12.258 -16.809 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.174 -12.679 -18.391 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.197 -13.775 -17.212 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.151 -13.492 -18.608 1.00 0.00 H new ATOM 1376 N LEU A 84 7.014 -8.350 -12.964 1.00 0.00 N ATOM 1377 CA LEU A 84 6.397 -7.570 -11.887 1.00 0.00 C ATOM 1378 C LEU A 84 4.860 -7.575 -11.951 1.00 0.00 C ATOM 1379 O LEU A 84 4.211 -7.153 -11.001 1.00 0.00 O ATOM 1380 CB LEU A 84 6.997 -6.156 -11.990 1.00 0.00 C ATOM 1381 CG LEU A 84 6.653 -5.190 -10.854 1.00 0.00 C ATOM 1382 CD1 LEU A 84 7.132 -5.687 -9.495 1.00 0.00 C ATOM 1383 CD2 LEU A 84 7.313 -3.840 -11.121 1.00 0.00 C ATOM 0 H LEU A 84 6.838 -7.982 -13.899 1.00 0.00 H new ATOM 0 HA LEU A 84 6.614 -8.012 -10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.082 -6.248 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.667 -5.712 -12.929 1.00 0.00 H new ATOM 0 HG LEU A 84 5.566 -5.109 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.861 -4.963 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.663 -6.645 -9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.215 -5.809 -9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.070 -3.150 -10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.394 -3.968 -11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.947 -3.437 -12.065 1.00 0.00 H new ATOM 1395 N ILE A 85 4.276 -8.080 -13.044 1.00 0.00 N ATOM 1396 CA ILE A 85 2.830 -8.366 -13.095 1.00 0.00 C ATOM 1397 C ILE A 85 2.435 -9.389 -14.158 1.00 0.00 C ATOM 1398 O ILE A 85 1.430 -10.061 -13.962 1.00 0.00 O ATOM 1399 CB ILE A 85 1.990 -7.078 -13.191 1.00 0.00 C ATOM 1400 CG1 ILE A 85 0.495 -7.394 -12.950 1.00 0.00 C ATOM 1401 CG2 ILE A 85 2.205 -6.347 -14.519 1.00 0.00 C ATOM 1402 CD1 ILE A 85 -0.319 -6.199 -12.454 1.00 0.00 C ATOM 0 H ILE A 85 4.777 -8.300 -13.905 1.00 0.00 H new ATOM 0 HA ILE A 85 2.597 -8.840 -12.142 1.00 0.00 H new ATOM 0 HB ILE A 85 2.329 -6.399 -12.408 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.057 -7.759 -13.879 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.417 -8.201 -12.222 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.593 -5.446 -14.541 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.256 -6.075 -14.618 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.920 -7.000 -15.344 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.356 -6.500 -12.309 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.092 -5.846 -11.508 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.274 -5.397 -13.191 1.00 0.00 H new ATOM 1414 N LEU A 86 3.230 -9.621 -15.209 1.00 0.00 N ATOM 1415 CA LEU A 86 3.030 -10.767 -16.107 1.00 0.00 C ATOM 1416 C LEU A 86 2.843 -12.114 -15.354 1.00 0.00 C ATOM 1417 O LEU A 86 1.940 -12.867 -15.733 1.00 0.00 O ATOM 1418 CB LEU A 86 4.187 -10.806 -17.118 1.00 0.00 C ATOM 1419 CG LEU A 86 4.131 -11.932 -18.166 1.00 0.00 C ATOM 1420 CD1 LEU A 86 2.847 -11.899 -18.999 1.00 0.00 C ATOM 1421 CD2 LEU A 86 5.316 -11.826 -19.120 1.00 0.00 C ATOM 0 H LEU A 86 4.021 -9.028 -15.460 1.00 0.00 H new ATOM 0 HA LEU A 86 2.090 -10.630 -16.642 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.218 -9.851 -17.642 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.122 -10.897 -16.566 1.00 0.00 H new ATOM 0 HG LEU A 86 4.160 -12.869 -17.609 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.861 -12.715 -19.722 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.984 -12.011 -18.342 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.780 -10.948 -19.527 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.264 -12.628 -19.856 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.287 -10.863 -19.630 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.245 -11.910 -18.557 1.00 0.00 H new ATOM 1433 N PRO A 87 3.588 -12.424 -14.264 1.00 0.00 N ATOM 1434 CA PRO A 87 3.315 -13.612 -13.446 1.00 0.00 C ATOM 1435 C PRO A 87 2.068 -13.520 -12.540 1.00 0.00 C ATOM 1436 O PRO A 87 1.613 -14.568 -12.078 1.00 0.00 O ATOM 1437 CB PRO A 87 4.585 -13.843 -12.616 1.00 0.00 C ATOM 1438 CG PRO A 87 5.185 -12.448 -12.485 1.00 0.00 C ATOM 1439 CD PRO A 87 4.851 -11.820 -13.834 1.00 0.00 C ATOM 0 HA PRO A 87 3.076 -14.445 -14.107 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.355 -14.274 -11.642 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.270 -14.529 -13.114 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.744 -11.892 -11.658 1.00 0.00 H new ATOM 0 HG3 PRO A 87 6.260 -12.483 -12.308 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.755 -10.738 -13.747 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.641 -12.012 -14.559 1.00 0.00 H new ATOM 1447 N TYR A 88 1.498 -12.329 -12.283 1.00 0.00 N ATOM 1448 CA TYR A 88 0.345 -12.177 -11.373 1.00 0.00 C ATOM 1449 C TYR A 88 -0.987 -11.871 -12.083 1.00 0.00 C ATOM 1450 O TYR A 88 -2.017 -12.373 -11.640 1.00 0.00 O ATOM 1451 CB TYR A 88 0.677 -11.201 -10.227 1.00 0.00 C ATOM 1452 CG TYR A 88 0.966 -11.875 -8.886 1.00 0.00 C ATOM 1453 CD1 TYR A 88 1.736 -13.057 -8.812 1.00 0.00 C ATOM 1454 CD2 TYR A 88 0.455 -11.316 -7.697 1.00 0.00 C ATOM 1455 CE1 TYR A 88 1.985 -13.672 -7.569 1.00 0.00 C ATOM 1456 CE2 TYR A 88 0.693 -11.931 -6.452 1.00 0.00 C ATOM 1457 CZ TYR A 88 1.464 -13.112 -6.384 1.00 0.00 C ATOM 1458 OH TYR A 88 1.709 -13.712 -5.187 1.00 0.00 O ATOM 0 H TYR A 88 1.818 -11.452 -12.695 1.00 0.00 H new ATOM 0 HA TYR A 88 0.169 -13.155 -10.925 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.543 -10.604 -10.514 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.157 -10.511 -10.101 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.137 -13.493 -9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.125 -10.406 -7.741 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.576 -14.575 -7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.286 -11.499 -5.550 1.00 0.00 H new ATOM 0 HH TYR A 88 1.280 -13.199 -4.470 1.00 0.00 H new ATOM 1468 N GLU A 89 -1.012 -11.209 -13.248 1.00 0.00 N ATOM 1469 CA GLU A 89 -2.234 -11.135 -14.084 1.00 0.00 C ATOM 1470 C GLU A 89 -2.755 -12.539 -14.479 1.00 0.00 C ATOM 1471 O GLU A 89 -3.917 -12.700 -14.849 1.00 0.00 O ATOM 1472 CB GLU A 89 -2.046 -10.234 -15.325 1.00 0.00 C ATOM 1473 CG GLU A 89 -1.102 -10.790 -16.404 1.00 0.00 C ATOM 1474 CD GLU A 89 -1.214 -9.999 -17.724 1.00 0.00 C ATOM 1475 OE1 GLU A 89 -0.655 -8.881 -17.824 1.00 0.00 O ATOM 1476 OE2 GLU A 89 -1.857 -10.509 -18.677 1.00 0.00 O ATOM 0 H GLU A 89 -0.208 -10.717 -13.638 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.999 -10.667 -13.464 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.022 -10.057 -15.776 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.666 -9.266 -14.997 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.074 -10.752 -16.043 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.336 -11.839 -16.587 1.00 0.00 H new ATOM 1483 N ARG A 90 -1.899 -13.556 -14.296 1.00 0.00 N ATOM 1484 CA ARG A 90 -2.296 -14.967 -14.402 1.00 0.00 C ATOM 1485 C ARG A 90 -3.526 -15.335 -13.552 1.00 0.00 C ATOM 1486 O ARG A 90 -4.340 -16.131 -14.020 1.00 0.00 O ATOM 1487 CB ARG A 90 -1.068 -15.834 -14.065 1.00 0.00 C ATOM 1488 CG ARG A 90 -1.261 -17.313 -14.428 1.00 0.00 C ATOM 1489 CD ARG A 90 0.046 -18.089 -14.227 1.00 0.00 C ATOM 1490 NE ARG A 90 -0.103 -19.506 -14.613 1.00 0.00 N ATOM 1491 CZ ARG A 90 0.867 -20.394 -14.749 1.00 0.00 C ATOM 1492 NH1 ARG A 90 2.118 -20.098 -14.528 1.00 0.00 N ATOM 1493 NH2 ARG A 90 0.596 -21.614 -15.115 1.00 0.00 N ATOM 0 H ARG A 90 -0.913 -13.423 -14.071 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.622 -15.159 -15.424 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.199 -15.446 -14.596 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.853 -15.752 -12.999 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.047 -17.746 -13.809 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.587 -17.400 -15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.838 -17.630 -14.819 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.352 -18.025 -13.183 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.052 -19.834 -14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.375 -19.154 -14.240 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.839 -20.810 -14.644 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.369 -21.889 -15.298 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.349 -22.295 -15.218 1.00 0.00 H new ATOM 1507 N PHE A 91 -3.733 -14.739 -12.366 1.00 0.00 N ATOM 1508 CA PHE A 91 -4.986 -14.942 -11.609 1.00 0.00 C ATOM 1509 C PHE A 91 -6.180 -14.166 -12.199 1.00 0.00 C ATOM 1510 O PHE A 91 -7.317 -14.630 -12.107 1.00 0.00 O ATOM 1511 CB PHE A 91 -4.813 -14.676 -10.097 1.00 0.00 C ATOM 1512 CG PHE A 91 -4.606 -13.237 -9.642 1.00 0.00 C ATOM 1513 CD1 PHE A 91 -5.670 -12.308 -9.664 1.00 0.00 C ATOM 1514 CD2 PHE A 91 -3.355 -12.829 -9.139 1.00 0.00 C ATOM 1515 CE1 PHE A 91 -5.454 -10.971 -9.287 1.00 0.00 C ATOM 1516 CE2 PHE A 91 -3.139 -11.491 -8.773 1.00 0.00 C ATOM 1517 CZ PHE A 91 -4.178 -10.557 -8.878 1.00 0.00 C ATOM 0 H PHE A 91 -3.061 -14.120 -11.913 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.227 -15.999 -11.718 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.695 -15.064 -9.587 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.961 -15.261 -9.751 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.655 -12.627 -9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.557 -13.550 -9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.270 -10.264 -9.312 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.170 -11.181 -8.410 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.996 -9.518 -8.644 1.00 0.00 H new ATOM 1527 N ILE A 92 -5.939 -13.026 -12.860 1.00 0.00 N ATOM 1528 CA ILE A 92 -7.017 -12.224 -13.475 1.00 0.00 C ATOM 1529 C ILE A 92 -7.510 -12.915 -14.753 1.00 0.00 C ATOM 1530 O ILE A 92 -8.709 -13.023 -15.001 1.00 0.00 O ATOM 1531 CB ILE A 92 -6.523 -10.785 -13.785 1.00 0.00 C ATOM 1532 CG1 ILE A 92 -5.923 -10.110 -12.528 1.00 0.00 C ATOM 1533 CG2 ILE A 92 -7.676 -9.933 -14.351 1.00 0.00 C ATOM 1534 CD1 ILE A 92 -5.299 -8.730 -12.766 1.00 0.00 C ATOM 0 H ILE A 92 -5.006 -12.634 -12.985 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.846 -12.148 -12.771 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.734 -10.857 -14.534 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.708 -10.012 -11.778 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.162 -10.768 -12.109 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.315 -8.927 -14.563 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.047 -10.387 -15.270 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.483 -9.882 -13.620 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.907 -8.341 -11.826 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.488 -8.817 -13.489 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.058 -8.049 -13.152 1.00 0.00 H new ATOM 1546 N LYS A 93 -6.565 -13.444 -15.533 1.00 0.00 N ATOM 1547 CA LYS A 93 -6.841 -14.007 -16.862 1.00 0.00 C ATOM 1548 C LYS A 93 -7.108 -15.520 -16.835 1.00 0.00 C ATOM 1549 O LYS A 93 -7.455 -16.109 -17.859 1.00 0.00 O ATOM 1550 CB LYS A 93 -5.632 -13.627 -17.729 1.00 0.00 C ATOM 1551 CG LYS A 93 -5.913 -13.661 -19.236 1.00 0.00 C ATOM 1552 CD LYS A 93 -4.864 -12.836 -19.990 1.00 0.00 C ATOM 1553 CE LYS A 93 -3.452 -13.422 -19.851 1.00 0.00 C ATOM 1554 NZ LYS A 93 -2.452 -12.535 -20.486 1.00 0.00 N ATOM 0 H LYS A 93 -5.583 -13.495 -15.262 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.764 -13.599 -17.274 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.300 -12.626 -17.454 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.810 -14.308 -17.507 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.901 -14.691 -19.592 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.909 -13.266 -19.436 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.133 -12.788 -21.045 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.869 -11.813 -19.613 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.210 -13.554 -18.796 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.415 -14.409 -20.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.548 -13.041 -20.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.788 -12.252 -21.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.316 -11.688 -19.898 1.00 0.00 H new