USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 819 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 19 LYS NZ :NH3+ 134:sc= 1.22 (180deg=0.262) USER MOD Set 1.2: A 99 GLN : amide:sc= 0 K(o=1.2,f=-1.6) USER MOD Set 2.1: A 23 TYR OH : rot 70:sc= 0.654 USER MOD Set 2.2: A 65 SER OG : rot 154:sc= 1.11 USER MOD Single : A 3 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.081) USER MOD Single : A 7 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.13) USER MOD Single : A 13 HIS : no HD1:sc= -0.385 K(o=-0.38,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc=-0.00306 (180deg=-2.48!) USER MOD Single : A 21 SER OG : rot 80:sc= -0.443 USER MOD Single : A 22 THR OG1 : rot -69:sc= 0.591 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0737) USER MOD Single : A 29 MET CE :methyl 157:sc= 0 (180deg=-0.485) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.22) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0465 K(o=-0.046,f=-0.68) USER MOD Single : A 50 SER OG : rot -94:sc= 0.0131 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc=-0.00784 (180deg=-0.148) USER MOD Single : A 59 ASN : amide:sc= 0.0979 K(o=0.098,f=-7.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.64! C(o=-2.6!,f=-3.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0.205 X(o=0.21,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -53:sc= -2.08! USER MOD Single : A 90 LYS NZ :NH3+ -132:sc= 0.305 (180deg=-0.638) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 165:sc= -1.87! USER MOD Single : A 97 LYS NZ :NH3+ 142:sc= 1.11 (180deg=-0.808) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -15.773 -4.543 10.503 1.00 52.21 N ATOM 21 CA ASP A 2 -16.201 -5.209 9.259 1.00 32.24 C ATOM 22 C ASP A 2 -15.181 -6.256 8.778 1.00 43.34 C ATOM 23 O ASP A 2 -13.994 -5.956 8.634 1.00 73.43 O ATOM 24 CB ASP A 2 -16.428 -4.166 8.158 1.00 52.25 C ATOM 25 CG ASP A 2 -17.529 -3.185 8.512 1.00 42.15 C ATOM 26 OD1 ASP A 2 -17.295 -2.303 9.364 1.00 54.11 O ATOM 27 OD2 ASP A 2 -18.638 -3.296 7.949 1.00 24.12 O ATOM 0 HA ASP A 2 -17.133 -5.731 9.475 1.00 32.24 H new ATOM 0 HB2 ASP A 2 -15.501 -3.620 7.981 1.00 52.25 H new ATOM 0 HB3 ASP A 2 -16.682 -4.673 7.227 1.00 52.25 H new ATOM 32 N GLN A 3 -15.660 -7.475 8.508 1.00 0.12 N ATOM 33 CA GLN A 3 -14.793 -8.588 8.088 1.00 14.54 C ATOM 34 C GLN A 3 -13.951 -8.238 6.853 1.00 41.11 C ATOM 35 O GLN A 3 -12.794 -8.642 6.753 1.00 33.51 O ATOM 36 CB GLN A 3 -15.633 -9.846 7.815 1.00 43.01 C ATOM 37 CG GLN A 3 -16.254 -10.448 9.074 1.00 61.24 C ATOM 38 CD GLN A 3 -15.219 -11.010 10.039 1.00 51.42 C ATOM 39 OE1 GLN A 3 -15.387 -10.951 11.252 1.00 55.21 O ATOM 40 NE2 GLN A 3 -14.154 -11.588 9.514 1.00 31.32 N ATOM 0 H GLN A 3 -16.648 -7.719 8.573 1.00 0.12 H new ATOM 0 HA GLN A 3 -14.102 -8.783 8.908 1.00 14.54 H new ATOM 0 HB2 GLN A 3 -16.427 -9.597 7.111 1.00 43.01 H new ATOM 0 HB3 GLN A 3 -15.004 -10.596 7.335 1.00 43.01 H new ATOM 0 HG2 GLN A 3 -16.841 -9.684 9.584 1.00 61.24 H new ATOM 0 HG3 GLN A 3 -16.944 -11.242 8.788 1.00 61.24 H new ATOM 0 HE21 GLN A 3 -14.040 -11.623 8.501 1.00 31.32 H new ATOM 0 HE22 GLN A 3 -13.446 -12.000 10.121 1.00 31.32 H new ATOM 49 N PHE A 4 -14.530 -7.490 5.916 1.00 2.10 N ATOM 50 CA PHE A 4 -13.791 -7.026 4.738 1.00 25.21 C ATOM 51 C PHE A 4 -12.538 -6.247 5.159 1.00 5.41 C ATOM 52 O PHE A 4 -11.420 -6.574 4.762 1.00 72.22 O ATOM 53 CB PHE A 4 -14.686 -6.144 3.854 1.00 23.54 C ATOM 54 CG PHE A 4 -13.949 -5.483 2.713 1.00 13.20 C ATOM 55 CD1 PHE A 4 -13.489 -6.231 1.641 1.00 64.42 C ATOM 56 CD2 PHE A 4 -13.708 -4.116 2.722 1.00 15.43 C ATOM 57 CE1 PHE A 4 -12.805 -5.633 0.601 1.00 30.03 C ATOM 58 CE2 PHE A 4 -13.025 -3.512 1.684 1.00 25.00 C ATOM 59 CZ PHE A 4 -12.572 -4.272 0.623 1.00 22.31 C ATOM 0 H PHE A 4 -15.505 -7.192 5.947 1.00 2.10 H new ATOM 0 HA PHE A 4 -13.483 -7.900 4.164 1.00 25.21 H new ATOM 0 HB2 PHE A 4 -15.494 -6.753 3.449 1.00 23.54 H new ATOM 0 HB3 PHE A 4 -15.146 -5.374 4.472 1.00 23.54 H new ATOM 0 HD1 PHE A 4 -13.668 -7.296 1.619 1.00 64.42 H new ATOM 0 HD2 PHE A 4 -14.058 -3.518 3.550 1.00 15.43 H new ATOM 0 HE1 PHE A 4 -12.453 -6.229 -0.228 1.00 30.03 H new ATOM 0 HE2 PHE A 4 -12.845 -2.447 1.702 1.00 25.00 H new ATOM 0 HZ PHE A 4 -12.036 -3.802 -0.188 1.00 22.31 H new ATOM 69 N LEU A 5 -12.747 -5.230 5.989 1.00 3.25 N ATOM 70 CA LEU A 5 -11.660 -4.388 6.491 1.00 32.32 C ATOM 71 C LEU A 5 -10.668 -5.205 7.334 1.00 31.54 C ATOM 72 O LEU A 5 -9.454 -5.084 7.176 1.00 11.32 O ATOM 73 CB LEU A 5 -12.247 -3.233 7.316 1.00 41.53 C ATOM 74 CG LEU A 5 -13.285 -2.371 6.576 1.00 34.43 C ATOM 75 CD1 LEU A 5 -13.890 -1.324 7.508 1.00 54.13 C ATOM 76 CD2 LEU A 5 -12.661 -1.708 5.350 1.00 31.41 C ATOM 0 H LEU A 5 -13.670 -4.965 6.333 1.00 3.25 H new ATOM 0 HA LEU A 5 -11.111 -3.982 5.641 1.00 32.32 H new ATOM 0 HB2 LEU A 5 -12.711 -3.645 8.212 1.00 41.53 H new ATOM 0 HB3 LEU A 5 -11.431 -2.590 7.646 1.00 41.53 H new ATOM 0 HG LEU A 5 -14.088 -3.026 6.239 1.00 34.43 H new ATOM 0 HD11 LEU A 5 -14.620 -0.728 6.961 1.00 54.13 H new ATOM 0 HD12 LEU A 5 -14.381 -1.822 8.344 1.00 54.13 H new ATOM 0 HD13 LEU A 5 -13.101 -0.674 7.886 1.00 54.13 H new ATOM 0 HD21 LEU A 5 -13.412 -1.103 4.842 1.00 31.41 H new ATOM 0 HD22 LEU A 5 -11.833 -1.071 5.662 1.00 31.41 H new ATOM 0 HD23 LEU A 5 -12.292 -2.475 4.670 1.00 31.41 H new ATOM 88 N VAL A 6 -11.194 -6.051 8.218 1.00 24.55 N ATOM 89 CA VAL A 6 -10.358 -6.895 9.078 1.00 13.41 C ATOM 90 C VAL A 6 -9.407 -7.786 8.264 1.00 43.14 C ATOM 91 O VAL A 6 -8.202 -7.796 8.500 1.00 34.31 O ATOM 92 CB VAL A 6 -11.220 -7.800 9.996 1.00 4.12 C ATOM 93 CG1 VAL A 6 -10.342 -8.762 10.797 1.00 41.21 C ATOM 94 CG2 VAL A 6 -12.082 -6.957 10.929 1.00 61.11 C ATOM 0 H VAL A 6 -12.197 -6.172 8.360 1.00 24.55 H new ATOM 0 HA VAL A 6 -9.768 -6.211 9.688 1.00 13.41 H new ATOM 0 HB VAL A 6 -11.879 -8.392 9.361 1.00 4.12 H new ATOM 0 HG11 VAL A 6 -10.971 -9.385 11.433 1.00 41.21 H new ATOM 0 HG12 VAL A 6 -9.778 -9.395 10.112 1.00 41.21 H new ATOM 0 HG13 VAL A 6 -9.650 -8.192 11.418 1.00 41.21 H new ATOM 0 HG21 VAL A 6 -12.679 -7.612 11.564 1.00 61.11 H new ATOM 0 HG22 VAL A 6 -11.441 -6.333 11.552 1.00 61.11 H new ATOM 0 HG23 VAL A 6 -12.744 -6.323 10.339 1.00 61.11 H new ATOM 104 N GLN A 7 -9.957 -8.528 7.303 1.00 3.25 N ATOM 105 CA GLN A 7 -9.169 -9.490 6.524 1.00 72.41 C ATOM 106 C GLN A 7 -8.055 -8.807 5.716 1.00 63.22 C ATOM 107 O GLN A 7 -6.893 -9.211 5.793 1.00 44.34 O ATOM 108 CB GLN A 7 -10.079 -10.304 5.593 1.00 0.20 C ATOM 109 CG GLN A 7 -11.122 -11.140 6.327 1.00 35.04 C ATOM 110 CD GLN A 7 -10.514 -12.085 7.353 1.00 44.31 C ATOM 111 OE1 GLN A 7 -10.164 -13.219 7.045 1.00 62.31 O ATOM 112 NE2 GLN A 7 -10.387 -11.625 8.583 1.00 20.10 N ATOM 0 H GLN A 7 -10.943 -8.484 7.044 1.00 3.25 H new ATOM 0 HA GLN A 7 -8.691 -10.164 7.235 1.00 72.41 H new ATOM 0 HB2 GLN A 7 -10.588 -9.623 4.911 1.00 0.20 H new ATOM 0 HB3 GLN A 7 -9.462 -10.964 4.983 1.00 0.20 H new ATOM 0 HG2 GLN A 7 -11.826 -10.475 6.827 1.00 35.04 H new ATOM 0 HG3 GLN A 7 -11.692 -11.720 5.600 1.00 35.04 H new ATOM 0 HE21 GLN A 7 -10.688 -10.676 8.806 1.00 20.10 H new ATOM 0 HE22 GLN A 7 -9.988 -12.218 9.311 1.00 20.10 H new ATOM 121 N ILE A 8 -8.407 -7.770 4.951 1.00 72.03 N ATOM 122 CA ILE A 8 -7.418 -7.059 4.131 1.00 44.23 C ATOM 123 C ILE A 8 -6.289 -6.460 4.994 1.00 12.14 C ATOM 124 O ILE A 8 -5.109 -6.611 4.674 1.00 33.43 O ATOM 125 CB ILE A 8 -8.069 -5.949 3.257 1.00 40.54 C ATOM 126 CG1 ILE A 8 -8.794 -4.907 4.126 1.00 73.14 C ATOM 127 CG2 ILE A 8 -9.028 -6.572 2.241 1.00 23.02 C ATOM 128 CD1 ILE A 8 -9.428 -3.777 3.338 1.00 32.51 C ATOM 0 H ILE A 8 -9.357 -7.406 4.881 1.00 72.03 H new ATOM 0 HA ILE A 8 -6.985 -7.802 3.462 1.00 44.23 H new ATOM 0 HB ILE A 8 -7.276 -5.432 2.717 1.00 40.54 H new ATOM 0 HG12 ILE A 8 -9.568 -5.409 4.707 1.00 73.14 H new ATOM 0 HG13 ILE A 8 -8.084 -4.486 4.838 1.00 73.14 H new ATOM 0 HG21 ILE A 8 -9.478 -5.785 1.635 1.00 23.02 H new ATOM 0 HG22 ILE A 8 -8.479 -7.258 1.596 1.00 23.02 H new ATOM 0 HG23 ILE A 8 -9.812 -7.117 2.767 1.00 23.02 H new ATOM 0 HD11 ILE A 8 -9.918 -3.086 4.023 1.00 32.51 H new ATOM 0 HD12 ILE A 8 -8.658 -3.247 2.778 1.00 32.51 H new ATOM 0 HD13 ILE A 8 -10.164 -4.185 2.645 1.00 32.51 H new ATOM 140 N PHE A 9 -6.651 -5.809 6.103 1.00 21.02 N ATOM 141 CA PHE A 9 -5.655 -5.255 7.032 1.00 33.13 C ATOM 142 C PHE A 9 -4.812 -6.376 7.665 1.00 62.25 C ATOM 143 O PHE A 9 -3.589 -6.256 7.803 1.00 43.20 O ATOM 144 CB PHE A 9 -6.340 -4.434 8.137 1.00 23.00 C ATOM 145 CG PHE A 9 -7.135 -3.245 7.641 1.00 54.31 C ATOM 146 CD1 PHE A 9 -6.922 -2.715 6.374 1.00 1.32 C ATOM 147 CD2 PHE A 9 -8.095 -2.653 8.454 1.00 22.05 C ATOM 148 CE1 PHE A 9 -7.648 -1.625 5.932 1.00 1.30 C ATOM 149 CE2 PHE A 9 -8.822 -1.563 8.013 1.00 50.25 C ATOM 150 CZ PHE A 9 -8.600 -1.049 6.751 1.00 12.22 C ATOM 0 H PHE A 9 -7.620 -5.652 6.381 1.00 21.02 H new ATOM 0 HA PHE A 9 -4.996 -4.600 6.461 1.00 33.13 H new ATOM 0 HB2 PHE A 9 -7.005 -5.090 8.699 1.00 23.00 H new ATOM 0 HB3 PHE A 9 -5.579 -4.080 8.833 1.00 23.00 H new ATOM 0 HD1 PHE A 9 -6.180 -3.160 5.727 1.00 1.32 H new ATOM 0 HD2 PHE A 9 -8.275 -3.050 9.442 1.00 22.05 H new ATOM 0 HE1 PHE A 9 -7.471 -1.223 4.945 1.00 1.30 H new ATOM 0 HE2 PHE A 9 -9.564 -1.113 8.656 1.00 50.25 H new ATOM 0 HZ PHE A 9 -9.169 -0.199 6.405 1.00 12.22 H new ATOM 160 N ALA A 10 -5.480 -7.471 8.030 1.00 3.24 N ATOM 161 CA ALA A 10 -4.816 -8.636 8.624 1.00 13.25 C ATOM 162 C ALA A 10 -3.789 -9.254 7.669 1.00 14.23 C ATOM 163 O ALA A 10 -2.904 -9.992 8.095 1.00 13.33 O ATOM 164 CB ALA A 10 -5.847 -9.681 9.040 1.00 30.10 C ATOM 0 H ALA A 10 -6.489 -7.577 7.924 1.00 3.24 H new ATOM 0 HA ALA A 10 -4.280 -8.292 9.508 1.00 13.25 H new ATOM 0 HB1 ALA A 10 -5.338 -10.539 9.479 1.00 30.10 H new ATOM 0 HB2 ALA A 10 -6.528 -9.249 9.773 1.00 30.10 H new ATOM 0 HB3 ALA A 10 -6.412 -10.003 8.165 1.00 30.10 H new ATOM 170 N VAL A 11 -3.927 -8.968 6.373 1.00 65.43 N ATOM 171 CA VAL A 11 -2.933 -9.383 5.374 1.00 34.33 C ATOM 172 C VAL A 11 -1.789 -8.355 5.271 1.00 2.32 C ATOM 173 O VAL A 11 -0.616 -8.724 5.186 1.00 52.54 O ATOM 174 CB VAL A 11 -3.578 -9.577 3.975 1.00 11.33 C ATOM 175 CG1 VAL A 11 -2.529 -9.972 2.933 1.00 34.12 C ATOM 176 CG2 VAL A 11 -4.694 -10.619 4.039 1.00 22.45 C ATOM 0 H VAL A 11 -4.717 -8.450 5.988 1.00 65.43 H new ATOM 0 HA VAL A 11 -2.528 -10.338 5.708 1.00 34.33 H new ATOM 0 HB VAL A 11 -4.011 -8.625 3.669 1.00 11.33 H new ATOM 0 HG11 VAL A 11 -3.010 -10.101 1.963 1.00 34.12 H new ATOM 0 HG12 VAL A 11 -1.774 -9.189 2.862 1.00 34.12 H new ATOM 0 HG13 VAL A 11 -2.055 -10.908 3.230 1.00 34.12 H new ATOM 0 HG21 VAL A 11 -5.134 -10.742 3.050 1.00 22.45 H new ATOM 0 HG22 VAL A 11 -4.284 -11.572 4.374 1.00 22.45 H new ATOM 0 HG23 VAL A 11 -5.461 -10.288 4.739 1.00 22.45 H new ATOM 186 N ILE A 12 -2.141 -7.069 5.310 1.00 12.13 N ATOM 187 CA ILE A 12 -1.164 -5.973 5.176 1.00 22.34 C ATOM 188 C ILE A 12 -0.020 -6.067 6.207 1.00 64.31 C ATOM 189 O ILE A 12 1.142 -5.836 5.875 1.00 72.32 O ATOM 190 CB ILE A 12 -1.858 -4.590 5.310 1.00 1.54 C ATOM 191 CG1 ILE A 12 -2.911 -4.411 4.204 1.00 64.02 C ATOM 192 CG2 ILE A 12 -0.833 -3.456 5.265 1.00 24.51 C ATOM 193 CD1 ILE A 12 -3.707 -3.124 4.312 1.00 40.42 C ATOM 0 H ILE A 12 -3.103 -6.753 5.434 1.00 12.13 H new ATOM 0 HA ILE A 12 -0.731 -6.074 4.181 1.00 22.34 H new ATOM 0 HB ILE A 12 -2.359 -4.552 6.277 1.00 1.54 H new ATOM 0 HG12 ILE A 12 -2.413 -4.438 3.235 1.00 64.02 H new ATOM 0 HG13 ILE A 12 -3.600 -5.255 4.232 1.00 64.02 H new ATOM 0 HG21 ILE A 12 -1.345 -2.499 5.361 1.00 24.51 H new ATOM 0 HG22 ILE A 12 -0.125 -3.573 6.086 1.00 24.51 H new ATOM 0 HG23 ILE A 12 -0.297 -3.487 4.316 1.00 24.51 H new ATOM 0 HD11 ILE A 12 -4.428 -3.073 3.496 1.00 40.42 H new ATOM 0 HD12 ILE A 12 -4.235 -3.102 5.265 1.00 40.42 H new ATOM 0 HD13 ILE A 12 -3.030 -2.272 4.252 1.00 40.42 H new ATOM 205 N HIS A 13 -0.349 -6.413 7.451 1.00 53.22 N ATOM 206 CA HIS A 13 0.665 -6.509 8.522 1.00 71.44 C ATOM 207 C HIS A 13 1.798 -7.515 8.208 1.00 41.42 C ATOM 208 O HIS A 13 2.823 -7.529 8.891 1.00 63.33 O ATOM 209 CB HIS A 13 0.006 -6.875 9.860 1.00 4.15 C ATOM 210 CG HIS A 13 -0.774 -5.752 10.478 1.00 1.44 C ATOM 211 ND1 HIS A 13 -0.144 -4.638 10.973 1.00 42.44 N ATOM 212 CD2 HIS A 13 -2.110 -5.623 10.667 1.00 74.04 C ATOM 213 CE1 HIS A 13 -1.097 -3.860 11.452 1.00 51.23 C ATOM 214 NE2 HIS A 13 -2.306 -4.414 11.291 1.00 11.53 N ATOM 0 H HIS A 13 -1.300 -6.632 7.749 1.00 53.22 H new ATOM 0 HA HIS A 13 1.124 -5.523 8.589 1.00 71.44 H new ATOM 0 HB2 HIS A 13 -0.659 -7.725 9.706 1.00 4.15 H new ATOM 0 HB3 HIS A 13 0.778 -7.196 10.559 1.00 4.15 H new ATOM 0 HD2 HIS A 13 -2.873 -6.333 10.382 1.00 74.04 H new ATOM 0 HE1 HIS A 13 -0.924 -2.900 11.915 1.00 51.23 H new ATOM 0 HE2 HIS A 13 -3.200 -4.015 11.577 1.00 11.53 H new ATOM 222 N GLN A 14 1.618 -8.348 7.180 1.00 51.12 N ATOM 223 CA GLN A 14 2.641 -9.340 6.795 1.00 14.31 C ATOM 224 C GLN A 14 3.699 -8.743 5.850 1.00 33.54 C ATOM 225 O GLN A 14 4.697 -9.396 5.533 1.00 40.34 O ATOM 226 CB GLN A 14 1.989 -10.571 6.139 1.00 4.03 C ATOM 227 CG GLN A 14 1.471 -11.619 7.126 1.00 24.40 C ATOM 228 CD GLN A 14 0.417 -11.090 8.083 1.00 42.10 C ATOM 229 OE1 GLN A 14 0.309 -11.536 9.222 1.00 63.21 O ATOM 230 NE2 GLN A 14 -0.390 -10.160 7.625 1.00 61.53 N ATOM 0 H GLN A 14 0.780 -8.360 6.598 1.00 51.12 H new ATOM 0 HA GLN A 14 3.146 -9.646 7.711 1.00 14.31 H new ATOM 0 HB2 GLN A 14 1.160 -10.237 5.515 1.00 4.03 H new ATOM 0 HB3 GLN A 14 2.716 -11.042 5.478 1.00 4.03 H new ATOM 0 HG2 GLN A 14 1.053 -12.456 6.567 1.00 24.40 H new ATOM 0 HG3 GLN A 14 2.310 -12.008 7.703 1.00 24.40 H new ATOM 0 HE21 GLN A 14 -0.276 -9.809 6.674 1.00 61.53 H new ATOM 0 HE22 GLN A 14 -1.131 -9.789 8.220 1.00 61.53 H new ATOM 239 N ILE A 15 3.478 -7.511 5.395 1.00 23.11 N ATOM 240 CA ILE A 15 4.441 -6.826 4.526 1.00 13.45 C ATOM 241 C ILE A 15 5.651 -6.326 5.341 1.00 23.10 C ATOM 242 O ILE A 15 5.491 -5.532 6.270 1.00 23.30 O ATOM 243 CB ILE A 15 3.787 -5.625 3.789 1.00 22.41 C ATOM 244 CG1 ILE A 15 2.542 -6.080 3.005 1.00 14.25 C ATOM 245 CG2 ILE A 15 4.795 -4.959 2.849 1.00 74.01 C ATOM 246 CD1 ILE A 15 1.771 -4.942 2.363 1.00 22.24 C ATOM 0 H ILE A 15 2.644 -6.965 5.611 1.00 23.11 H new ATOM 0 HA ILE A 15 4.777 -7.550 3.784 1.00 13.45 H new ATOM 0 HB ILE A 15 3.475 -4.895 4.536 1.00 22.41 H new ATOM 0 HG12 ILE A 15 2.849 -6.781 2.229 1.00 14.25 H new ATOM 0 HG13 ILE A 15 1.878 -6.621 3.679 1.00 14.25 H new ATOM 0 HG21 ILE A 15 4.320 -4.120 2.341 1.00 74.01 H new ATOM 0 HG22 ILE A 15 5.647 -4.599 3.425 1.00 74.01 H new ATOM 0 HG23 ILE A 15 5.137 -5.684 2.110 1.00 74.01 H new ATOM 0 HD11 ILE A 15 0.909 -5.342 1.829 1.00 22.24 H new ATOM 0 HD12 ILE A 15 1.432 -4.251 3.135 1.00 22.24 H new ATOM 0 HD13 ILE A 15 2.418 -4.414 1.663 1.00 22.24 H new ATOM 258 N PRO A 16 6.877 -6.791 5.019 1.00 24.02 N ATOM 259 CA PRO A 16 8.091 -6.399 5.754 1.00 41.33 C ATOM 260 C PRO A 16 8.591 -4.988 5.394 1.00 13.54 C ATOM 261 O PRO A 16 8.244 -4.433 4.345 1.00 45.32 O ATOM 262 CB PRO A 16 9.109 -7.459 5.315 1.00 44.25 C ATOM 263 CG PRO A 16 8.688 -7.818 3.930 1.00 51.43 C ATOM 264 CD PRO A 16 7.182 -7.734 3.923 1.00 2.14 C ATOM 0 HA PRO A 16 7.918 -6.356 6.829 1.00 41.33 H new ATOM 0 HB2 PRO A 16 10.126 -7.067 5.333 1.00 44.25 H new ATOM 0 HB3 PRO A 16 9.090 -8.327 5.975 1.00 44.25 H new ATOM 0 HG2 PRO A 16 9.121 -7.134 3.200 1.00 51.43 H new ATOM 0 HG3 PRO A 16 9.025 -8.821 3.666 1.00 51.43 H new ATOM 0 HD2 PRO A 16 6.806 -7.371 2.967 1.00 2.14 H new ATOM 0 HD3 PRO A 16 6.726 -8.709 4.095 1.00 2.14 H new ATOM 272 N LYS A 17 9.419 -4.417 6.265 1.00 20.32 N ATOM 273 CA LYS A 17 9.974 -3.080 6.049 1.00 64.12 C ATOM 274 C LYS A 17 10.876 -3.046 4.805 1.00 53.52 C ATOM 275 O LYS A 17 11.974 -3.605 4.804 1.00 23.01 O ATOM 276 CB LYS A 17 10.771 -2.641 7.283 1.00 2.42 C ATOM 277 CG LYS A 17 11.233 -1.189 7.237 1.00 41.32 C ATOM 278 CD LYS A 17 12.102 -0.837 8.439 1.00 3.03 C ATOM 279 CE LYS A 17 12.345 0.664 8.546 1.00 0.21 C ATOM 280 NZ LYS A 17 11.123 1.397 8.974 1.00 64.33 N ATOM 0 H LYS A 17 9.723 -4.861 7.132 1.00 20.32 H new ATOM 0 HA LYS A 17 9.145 -2.391 5.886 1.00 64.12 H new ATOM 0 HB2 LYS A 17 10.157 -2.788 8.171 1.00 2.42 H new ATOM 0 HB3 LYS A 17 11.643 -3.286 7.388 1.00 2.42 H new ATOM 0 HG2 LYS A 17 11.794 -1.014 6.319 1.00 41.32 H new ATOM 0 HG3 LYS A 17 10.364 -0.531 7.210 1.00 41.32 H new ATOM 0 HD2 LYS A 17 11.622 -1.193 9.351 1.00 3.03 H new ATOM 0 HD3 LYS A 17 13.058 -1.355 8.360 1.00 3.03 H new ATOM 0 HE2 LYS A 17 13.148 0.851 9.258 1.00 0.21 H new ATOM 0 HE3 LYS A 17 12.678 1.047 7.582 1.00 0.21 H new ATOM 0 HZ1 LYS A 17 11.020 2.261 8.405 1.00 64.33 H new ATOM 0 HZ2 LYS A 17 10.289 0.791 8.838 1.00 64.33 H new ATOM 0 HZ3 LYS A 17 11.205 1.652 9.979 1.00 64.33 H new ATOM 294 N GLY A 18 10.396 -2.411 3.739 1.00 61.21 N ATOM 295 CA GLY A 18 11.182 -2.301 2.515 1.00 25.12 C ATOM 296 C GLY A 18 10.425 -2.739 1.265 1.00 72.21 C ATOM 297 O GLY A 18 10.847 -2.439 0.146 1.00 22.34 O ATOM 0 H GLY A 18 9.477 -1.970 3.698 1.00 61.21 H new ATOM 0 HA2 GLY A 18 11.505 -1.267 2.391 1.00 25.12 H new ATOM 0 HA3 GLY A 18 12.083 -2.906 2.615 1.00 25.12 H new ATOM 301 N LYS A 19 9.309 -3.450 1.447 1.00 1.05 N ATOM 302 CA LYS A 19 8.502 -3.931 0.313 1.00 21.04 C ATOM 303 C LYS A 19 7.092 -3.316 0.299 1.00 31.13 C ATOM 304 O LYS A 19 6.621 -2.768 1.297 1.00 53.45 O ATOM 305 CB LYS A 19 8.396 -5.466 0.336 1.00 61.30 C ATOM 306 CG LYS A 19 9.710 -6.194 0.054 1.00 22.02 C ATOM 307 CD LYS A 19 10.354 -5.717 -1.248 1.00 24.34 C ATOM 308 CE LYS A 19 11.542 -6.579 -1.665 1.00 30.12 C ATOM 309 NZ LYS A 19 11.118 -7.925 -2.135 1.00 54.33 N ATOM 0 H LYS A 19 8.941 -3.707 2.363 1.00 1.05 H new ATOM 0 HA LYS A 19 9.014 -3.614 -0.595 1.00 21.04 H new ATOM 0 HB2 LYS A 19 8.024 -5.778 1.312 1.00 61.30 H new ATOM 0 HB3 LYS A 19 7.656 -5.778 -0.401 1.00 61.30 H new ATOM 0 HG2 LYS A 19 10.400 -6.032 0.882 1.00 22.02 H new ATOM 0 HG3 LYS A 19 9.526 -7.267 -0.003 1.00 22.02 H new ATOM 0 HD2 LYS A 19 9.608 -5.725 -2.042 1.00 24.34 H new ATOM 0 HD3 LYS A 19 10.683 -4.685 -1.130 1.00 24.34 H new ATOM 0 HE2 LYS A 19 12.094 -6.075 -2.459 1.00 30.12 H new ATOM 0 HE3 LYS A 19 12.224 -6.688 -0.822 1.00 30.12 H new ATOM 0 HZ1 LYS A 19 11.617 -8.158 -3.017 1.00 54.33 H new ATOM 0 HZ2 LYS A 19 11.347 -8.634 -1.410 1.00 54.33 H new ATOM 0 HZ3 LYS A 19 10.092 -7.925 -2.308 1.00 54.33 H new ATOM 323 N VAL A 20 6.431 -3.423 -0.856 1.00 20.24 N ATOM 324 CA VAL A 20 5.059 -2.939 -1.046 1.00 32.40 C ATOM 325 C VAL A 20 4.213 -3.973 -1.811 1.00 3.44 C ATOM 326 O VAL A 20 4.747 -4.880 -2.453 1.00 24.43 O ATOM 327 CB VAL A 20 5.024 -1.597 -1.830 1.00 15.34 C ATOM 328 CG1 VAL A 20 5.789 -0.503 -1.088 1.00 33.22 C ATOM 329 CG2 VAL A 20 5.571 -1.774 -3.249 1.00 74.43 C ATOM 0 H VAL A 20 6.833 -3.850 -1.691 1.00 20.24 H new ATOM 0 HA VAL A 20 4.644 -2.781 -0.050 1.00 32.40 H new ATOM 0 HB VAL A 20 3.982 -1.286 -1.905 1.00 15.34 H new ATOM 0 HG11 VAL A 20 5.747 0.423 -1.661 1.00 33.22 H new ATOM 0 HG12 VAL A 20 5.338 -0.345 -0.108 1.00 33.22 H new ATOM 0 HG13 VAL A 20 6.829 -0.806 -0.965 1.00 33.22 H new ATOM 0 HG21 VAL A 20 5.535 -0.820 -3.775 1.00 74.43 H new ATOM 0 HG22 VAL A 20 6.603 -2.123 -3.200 1.00 74.43 H new ATOM 0 HG23 VAL A 20 4.966 -2.506 -3.784 1.00 74.43 H new ATOM 339 N SER A 21 2.895 -3.829 -1.743 1.00 22.43 N ATOM 340 CA SER A 21 1.973 -4.690 -2.499 1.00 5.30 C ATOM 341 C SER A 21 0.844 -3.860 -3.116 1.00 12.23 C ATOM 342 O SER A 21 0.708 -2.671 -2.829 1.00 42.54 O ATOM 343 CB SER A 21 1.378 -5.778 -1.594 1.00 14.33 C ATOM 344 OG SER A 21 0.555 -5.216 -0.585 1.00 31.12 O ATOM 0 H SER A 21 2.432 -3.123 -1.171 1.00 22.43 H new ATOM 0 HA SER A 21 2.541 -5.167 -3.298 1.00 5.30 H new ATOM 0 HB2 SER A 21 0.795 -6.475 -2.195 1.00 14.33 H new ATOM 0 HB3 SER A 21 2.183 -6.351 -1.133 1.00 14.33 H new ATOM 0 HG SER A 21 -0.324 -5.003 -0.961 1.00 31.12 H new ATOM 350 N THR A 22 0.043 -4.479 -3.976 1.00 13.04 N ATOM 351 CA THR A 22 -1.081 -3.784 -4.616 1.00 71.44 C ATOM 352 C THR A 22 -2.426 -4.240 -4.040 1.00 25.04 C ATOM 353 O THR A 22 -2.554 -5.363 -3.546 1.00 12.20 O ATOM 354 CB THR A 22 -1.097 -4.002 -6.147 1.00 32.31 C ATOM 355 OG1 THR A 22 -1.398 -5.374 -6.454 1.00 64.54 O ATOM 356 CG2 THR A 22 0.242 -3.618 -6.772 1.00 53.24 C ATOM 0 H THR A 22 0.146 -5.456 -4.249 1.00 13.04 H new ATOM 0 HA THR A 22 -0.939 -2.723 -4.409 1.00 71.44 H new ATOM 0 HB THR A 22 -1.872 -3.360 -6.566 1.00 32.31 H new ATOM 0 HG1 THR A 22 -0.648 -5.943 -6.180 1.00 64.54 H new ATOM 0 HG21 THR A 22 0.201 -3.782 -7.849 1.00 53.24 H new ATOM 0 HG22 THR A 22 0.448 -2.567 -6.572 1.00 53.24 H new ATOM 0 HG23 THR A 22 1.034 -4.231 -6.342 1.00 53.24 H new ATOM 364 N TYR A 23 -3.430 -3.363 -4.120 1.00 3.10 N ATOM 365 CA TYR A 23 -4.779 -3.660 -3.607 1.00 53.51 C ATOM 366 C TYR A 23 -5.310 -5.006 -4.124 1.00 4.01 C ATOM 367 O TYR A 23 -5.925 -5.767 -3.380 1.00 22.22 O ATOM 368 CB TYR A 23 -5.757 -2.545 -3.992 1.00 71.21 C ATOM 369 CG TYR A 23 -5.333 -1.173 -3.518 1.00 2.44 C ATOM 370 CD1 TYR A 23 -5.228 -0.892 -2.162 1.00 2.45 C ATOM 371 CD2 TYR A 23 -5.020 -0.168 -4.423 1.00 21.04 C ATOM 372 CE1 TYR A 23 -4.829 0.352 -1.723 1.00 51.41 C ATOM 373 CE2 TYR A 23 -4.616 1.078 -3.989 1.00 31.50 C ATOM 374 CZ TYR A 23 -4.519 1.332 -2.638 1.00 20.24 C ATOM 375 OH TYR A 23 -4.109 2.571 -2.202 1.00 53.44 O ATOM 0 H TYR A 23 -3.338 -2.436 -4.536 1.00 3.10 H new ATOM 0 HA TYR A 23 -4.700 -3.722 -2.522 1.00 53.51 H new ATOM 0 HB2 TYR A 23 -5.865 -2.527 -5.076 1.00 71.21 H new ATOM 0 HB3 TYR A 23 -6.738 -2.776 -3.577 1.00 71.21 H new ATOM 0 HD1 TYR A 23 -5.463 -1.660 -1.440 1.00 2.45 H new ATOM 0 HD2 TYR A 23 -5.094 -0.364 -5.482 1.00 21.04 H new ATOM 0 HE1 TYR A 23 -4.760 0.557 -0.665 1.00 51.41 H new ATOM 0 HE2 TYR A 23 -4.377 1.851 -4.705 1.00 31.50 H new ATOM 0 HH TYR A 23 -3.217 2.498 -1.802 1.00 53.44 H new ATOM 385 N GLY A 24 -5.069 -5.282 -5.405 1.00 40.24 N ATOM 386 CA GLY A 24 -5.499 -6.545 -6.002 1.00 34.41 C ATOM 387 C GLY A 24 -4.931 -7.765 -5.284 1.00 74.20 C ATOM 388 O GLY A 24 -5.637 -8.748 -5.062 1.00 51.44 O ATOM 0 H GLY A 24 -4.582 -4.654 -6.045 1.00 40.24 H new ATOM 0 HA2 GLY A 24 -6.588 -6.596 -5.988 1.00 34.41 H new ATOM 0 HA3 GLY A 24 -5.192 -6.570 -7.048 1.00 34.41 H new ATOM 392 N GLU A 25 -3.654 -7.692 -4.911 1.00 52.42 N ATOM 393 CA GLU A 25 -2.995 -8.782 -4.183 1.00 71.31 C ATOM 394 C GLU A 25 -3.606 -8.961 -2.786 1.00 22.12 C ATOM 395 O GLU A 25 -4.024 -10.059 -2.420 1.00 33.34 O ATOM 396 CB GLU A 25 -1.486 -8.507 -4.079 1.00 62.24 C ATOM 397 CG GLU A 25 -0.772 -8.527 -5.425 1.00 40.15 C ATOM 398 CD GLU A 25 0.671 -8.053 -5.337 1.00 35.23 C ATOM 399 OE1 GLU A 25 0.901 -6.828 -5.408 1.00 14.52 O ATOM 400 OE2 GLU A 25 1.579 -8.901 -5.210 1.00 71.31 O ATOM 0 H GLU A 25 -3.053 -6.890 -5.100 1.00 52.42 H new ATOM 0 HA GLU A 25 -3.150 -9.708 -4.737 1.00 71.31 H new ATOM 0 HB2 GLU A 25 -1.333 -7.535 -3.610 1.00 62.24 H new ATOM 0 HB3 GLU A 25 -1.033 -9.252 -3.425 1.00 62.24 H new ATOM 0 HG2 GLU A 25 -0.792 -9.540 -5.826 1.00 40.15 H new ATOM 0 HG3 GLU A 25 -1.315 -7.895 -6.128 1.00 40.15 H new ATOM 407 N ILE A 26 -3.673 -7.870 -2.025 1.00 53.05 N ATOM 408 CA ILE A 26 -4.247 -7.897 -0.671 1.00 63.40 C ATOM 409 C ILE A 26 -5.693 -8.431 -0.679 1.00 72.15 C ATOM 410 O ILE A 26 -6.054 -9.302 0.120 1.00 33.24 O ATOM 411 CB ILE A 26 -4.225 -6.482 -0.029 1.00 60.44 C ATOM 412 CG1 ILE A 26 -2.782 -5.948 0.059 1.00 73.35 C ATOM 413 CG2 ILE A 26 -4.880 -6.503 1.353 1.00 54.05 C ATOM 414 CD1 ILE A 26 -1.879 -6.760 0.964 1.00 24.21 C ATOM 0 H ILE A 26 -3.338 -6.953 -2.319 1.00 53.05 H new ATOM 0 HA ILE A 26 -3.629 -8.571 -0.078 1.00 63.40 H new ATOM 0 HB ILE A 26 -4.800 -5.810 -0.666 1.00 60.44 H new ATOM 0 HG12 ILE A 26 -2.352 -5.927 -0.942 1.00 73.35 H new ATOM 0 HG13 ILE A 26 -2.808 -4.919 0.417 1.00 73.35 H new ATOM 0 HG21 ILE A 26 -4.853 -5.502 1.784 1.00 54.05 H new ATOM 0 HG22 ILE A 26 -5.915 -6.830 1.260 1.00 54.05 H new ATOM 0 HG23 ILE A 26 -4.339 -7.192 2.002 1.00 54.05 H new ATOM 0 HD11 ILE A 26 -0.882 -6.320 0.972 1.00 24.21 H new ATOM 0 HD12 ILE A 26 -2.284 -6.761 1.976 1.00 24.21 H new ATOM 0 HD13 ILE A 26 -1.821 -7.784 0.596 1.00 24.21 H new ATOM 426 N ALA A 27 -6.510 -7.913 -1.597 1.00 22.34 N ATOM 427 CA ALA A 27 -7.906 -8.344 -1.728 1.00 75.53 C ATOM 428 C ALA A 27 -8.006 -9.831 -2.110 1.00 4.34 C ATOM 429 O ALA A 27 -8.792 -10.582 -1.527 1.00 72.03 O ATOM 430 CB ALA A 27 -8.630 -7.480 -2.756 1.00 75.12 C ATOM 0 H ALA A 27 -6.230 -7.193 -2.263 1.00 22.34 H new ATOM 0 HA ALA A 27 -8.386 -8.220 -0.757 1.00 75.53 H new ATOM 0 HB1 ALA A 27 -9.665 -7.810 -2.844 1.00 75.12 H new ATOM 0 HB2 ALA A 27 -8.607 -6.438 -2.436 1.00 75.12 H new ATOM 0 HB3 ALA A 27 -8.136 -7.574 -3.723 1.00 75.12 H new ATOM 436 N LYS A 28 -7.207 -10.251 -3.089 1.00 73.03 N ATOM 437 CA LYS A 28 -7.181 -11.651 -3.529 1.00 61.44 C ATOM 438 C LYS A 28 -6.757 -12.600 -2.391 1.00 31.41 C ATOM 439 O LYS A 28 -7.335 -13.676 -2.223 1.00 44.13 O ATOM 440 CB LYS A 28 -6.236 -11.807 -4.730 1.00 40.12 C ATOM 441 CG LYS A 28 -6.200 -13.218 -5.312 1.00 54.15 C ATOM 442 CD LYS A 28 -5.295 -13.301 -6.540 1.00 32.44 C ATOM 443 CE LYS A 28 -5.288 -14.700 -7.147 1.00 20.05 C ATOM 444 NZ LYS A 28 -4.729 -15.721 -6.218 1.00 44.10 N ATOM 0 H LYS A 28 -6.565 -9.642 -3.596 1.00 73.03 H new ATOM 0 HA LYS A 28 -8.193 -11.925 -3.826 1.00 61.44 H new ATOM 0 HB2 LYS A 28 -6.540 -11.110 -5.511 1.00 40.12 H new ATOM 0 HB3 LYS A 28 -5.228 -11.525 -4.425 1.00 40.12 H new ATOM 0 HG2 LYS A 28 -5.847 -13.916 -4.553 1.00 54.15 H new ATOM 0 HG3 LYS A 28 -7.210 -13.526 -5.583 1.00 54.15 H new ATOM 0 HD2 LYS A 28 -5.631 -12.582 -7.288 1.00 32.44 H new ATOM 0 HD3 LYS A 28 -4.279 -13.021 -6.262 1.00 32.44 H new ATOM 0 HE2 LYS A 28 -6.306 -14.980 -7.419 1.00 20.05 H new ATOM 0 HE3 LYS A 28 -4.703 -14.691 -8.067 1.00 20.05 H new ATOM 0 HZ1 LYS A 28 -4.620 -16.625 -6.721 1.00 44.10 H new ATOM 0 HZ2 LYS A 28 -3.801 -15.404 -5.871 1.00 44.10 H new ATOM 0 HZ3 LYS A 28 -5.375 -15.848 -5.413 1.00 44.10 H new ATOM 458 N MET A 29 -5.754 -12.195 -1.610 1.00 2.33 N ATOM 459 CA MET A 29 -5.271 -13.008 -0.484 1.00 4.43 C ATOM 460 C MET A 29 -6.321 -13.099 0.636 1.00 33.52 C ATOM 461 O MET A 29 -6.441 -14.130 1.303 1.00 10.13 O ATOM 462 CB MET A 29 -3.956 -12.440 0.068 1.00 40.41 C ATOM 463 CG MET A 29 -2.817 -12.428 -0.942 1.00 42.34 C ATOM 464 SD MET A 29 -1.271 -11.820 -0.239 1.00 43.41 S ATOM 465 CE MET A 29 -0.239 -11.744 -1.701 1.00 23.23 C ATOM 0 H MET A 29 -5.259 -11.312 -1.733 1.00 2.33 H new ATOM 0 HA MET A 29 -5.091 -14.015 -0.860 1.00 4.43 H new ATOM 0 HB2 MET A 29 -4.130 -11.422 0.417 1.00 40.41 H new ATOM 0 HB3 MET A 29 -3.654 -13.027 0.935 1.00 40.41 H new ATOM 0 HG2 MET A 29 -2.665 -13.437 -1.325 1.00 42.34 H new ATOM 0 HG3 MET A 29 -3.096 -11.804 -1.791 1.00 42.34 H new ATOM 0 HE1 MET A 29 0.572 -11.034 -1.538 1.00 23.23 H new ATOM 0 HE2 MET A 29 0.178 -12.730 -1.904 1.00 23.23 H new ATOM 0 HE3 MET A 29 -0.838 -11.421 -2.553 1.00 23.23 H new ATOM 475 N ALA A 30 -7.075 -12.017 0.833 1.00 72.22 N ATOM 476 CA ALA A 30 -8.149 -11.987 1.833 1.00 1.51 C ATOM 477 C ALA A 30 -9.410 -12.721 1.338 1.00 31.25 C ATOM 478 O ALA A 30 -10.199 -13.232 2.136 1.00 51.12 O ATOM 479 CB ALA A 30 -8.486 -10.545 2.195 1.00 73.32 C ATOM 0 H ALA A 30 -6.963 -11.147 0.313 1.00 72.22 H new ATOM 0 HA ALA A 30 -7.792 -12.508 2.721 1.00 1.51 H new ATOM 0 HB1 ALA A 30 -9.284 -10.533 2.938 1.00 73.32 H new ATOM 0 HB2 ALA A 30 -7.602 -10.057 2.605 1.00 73.32 H new ATOM 0 HB3 ALA A 30 -8.814 -10.013 1.302 1.00 73.32 H new ATOM 485 N GLY A 31 -9.594 -12.762 0.017 1.00 30.13 N ATOM 486 CA GLY A 31 -10.749 -13.440 -0.572 1.00 41.01 C ATOM 487 C GLY A 31 -11.858 -12.487 -1.017 1.00 31.44 C ATOM 488 O GLY A 31 -13.039 -12.730 -0.756 1.00 2.41 O ATOM 0 H GLY A 31 -8.962 -12.336 -0.661 1.00 30.13 H new ATOM 0 HA2 GLY A 31 -10.418 -14.024 -1.430 1.00 41.01 H new ATOM 0 HA3 GLY A 31 -11.156 -14.143 0.154 1.00 41.01 H new ATOM 492 N TYR A 32 -11.484 -11.398 -1.691 1.00 73.30 N ATOM 493 CA TYR A 32 -12.457 -10.409 -2.185 1.00 12.03 C ATOM 494 C TYR A 32 -12.118 -9.946 -3.618 1.00 23.42 C ATOM 495 O TYR A 32 -11.480 -8.907 -3.812 1.00 65.41 O ATOM 496 CB TYR A 32 -12.510 -9.199 -1.237 1.00 64.14 C ATOM 497 CG TYR A 32 -13.001 -9.528 0.161 1.00 74.22 C ATOM 498 CD1 TYR A 32 -14.361 -9.530 0.456 1.00 12.05 C ATOM 499 CD2 TYR A 32 -12.108 -9.837 1.184 1.00 34.31 C ATOM 500 CE1 TYR A 32 -14.814 -9.825 1.729 1.00 55.25 C ATOM 501 CE2 TYR A 32 -12.556 -10.135 2.458 1.00 33.04 C ATOM 502 CZ TYR A 32 -13.910 -10.127 2.725 1.00 21.04 C ATOM 503 OH TYR A 32 -14.363 -10.422 3.993 1.00 32.43 O ATOM 0 H TYR A 32 -10.513 -11.174 -1.910 1.00 73.30 H new ATOM 0 HA TYR A 32 -13.435 -10.889 -2.212 1.00 12.03 H new ATOM 0 HB2 TYR A 32 -11.514 -8.762 -1.167 1.00 64.14 H new ATOM 0 HB3 TYR A 32 -13.162 -8.440 -1.670 1.00 64.14 H new ATOM 0 HD1 TYR A 32 -15.074 -9.298 -0.321 1.00 12.05 H new ATOM 0 HD2 TYR A 32 -11.048 -9.844 0.979 1.00 34.31 H new ATOM 0 HE1 TYR A 32 -15.873 -9.819 1.942 1.00 55.25 H new ATOM 0 HE2 TYR A 32 -11.850 -10.373 3.240 1.00 33.04 H new ATOM 0 HH TYR A 32 -13.600 -10.613 4.577 1.00 32.43 H new ATOM 513 N PRO A 33 -12.532 -10.720 -4.642 1.00 61.21 N ATOM 514 CA PRO A 33 -12.259 -10.390 -6.055 1.00 53.44 C ATOM 515 C PRO A 33 -13.024 -9.140 -6.542 1.00 62.20 C ATOM 516 O PRO A 33 -14.250 -9.056 -6.413 1.00 4.21 O ATOM 517 CB PRO A 33 -12.729 -11.648 -6.821 1.00 32.15 C ATOM 518 CG PRO A 33 -12.912 -12.706 -5.777 1.00 45.40 C ATOM 519 CD PRO A 33 -13.284 -11.977 -4.515 1.00 72.54 C ATOM 0 HA PRO A 33 -11.208 -10.147 -6.211 1.00 53.44 H new ATOM 0 HB2 PRO A 33 -13.660 -11.458 -7.355 1.00 32.15 H new ATOM 0 HB3 PRO A 33 -11.992 -11.953 -7.564 1.00 32.15 H new ATOM 0 HG2 PRO A 33 -13.692 -13.410 -6.066 1.00 45.40 H new ATOM 0 HG3 PRO A 33 -11.997 -13.283 -5.640 1.00 45.40 H new ATOM 0 HD2 PRO A 33 -14.358 -11.803 -4.448 1.00 72.54 H new ATOM 0 HD3 PRO A 33 -12.996 -12.535 -3.624 1.00 72.54 H new ATOM 527 N GLY A 34 -12.294 -8.173 -7.102 1.00 15.21 N ATOM 528 CA GLY A 34 -12.912 -6.947 -7.607 1.00 54.52 C ATOM 529 C GLY A 34 -13.023 -5.838 -6.560 1.00 31.11 C ATOM 530 O GLY A 34 -13.362 -4.696 -6.883 1.00 23.32 O ATOM 0 H GLY A 34 -11.281 -8.215 -7.216 1.00 15.21 H new ATOM 0 HA2 GLY A 34 -12.331 -6.579 -8.453 1.00 54.52 H new ATOM 0 HA3 GLY A 34 -13.908 -7.181 -7.983 1.00 54.52 H new ATOM 534 N TYR A 35 -12.724 -6.164 -5.302 1.00 70.44 N ATOM 535 CA TYR A 35 -12.856 -5.201 -4.200 1.00 43.00 C ATOM 536 C TYR A 35 -11.538 -4.467 -3.896 1.00 52.35 C ATOM 537 O TYR A 35 -11.432 -3.765 -2.891 1.00 22.35 O ATOM 538 CB TYR A 35 -13.374 -5.911 -2.942 1.00 34.42 C ATOM 539 CG TYR A 35 -14.800 -6.415 -3.078 1.00 43.13 C ATOM 540 CD1 TYR A 35 -15.879 -5.600 -2.755 1.00 13.04 C ATOM 541 CD2 TYR A 35 -15.067 -7.700 -3.539 1.00 33.42 C ATOM 542 CE1 TYR A 35 -17.179 -6.049 -2.884 1.00 52.55 C ATOM 543 CE2 TYR A 35 -16.365 -8.155 -3.673 1.00 1.21 C ATOM 544 CZ TYR A 35 -17.417 -7.327 -3.344 1.00 61.14 C ATOM 545 OH TYR A 35 -18.713 -7.775 -3.481 1.00 53.23 O ATOM 0 H TYR A 35 -12.389 -7.085 -5.018 1.00 70.44 H new ATOM 0 HA TYR A 35 -13.574 -4.444 -4.516 1.00 43.00 H new ATOM 0 HB2 TYR A 35 -12.720 -6.752 -2.713 1.00 34.42 H new ATOM 0 HB3 TYR A 35 -13.318 -5.224 -2.097 1.00 34.42 H new ATOM 0 HD1 TYR A 35 -15.698 -4.597 -2.397 1.00 13.04 H new ATOM 0 HD2 TYR A 35 -14.246 -8.353 -3.796 1.00 33.42 H new ATOM 0 HE1 TYR A 35 -18.005 -5.402 -2.626 1.00 52.55 H new ATOM 0 HE2 TYR A 35 -16.554 -9.155 -4.034 1.00 1.21 H new ATOM 0 HH TYR A 35 -18.707 -8.696 -3.817 1.00 53.23 H new ATOM 555 N ALA A 36 -10.547 -4.610 -4.777 1.00 33.13 N ATOM 556 CA ALA A 36 -9.264 -3.904 -4.628 1.00 50.21 C ATOM 557 C ALA A 36 -9.471 -2.387 -4.472 1.00 52.11 C ATOM 558 O ALA A 36 -8.895 -1.752 -3.588 1.00 11.03 O ATOM 559 CB ALA A 36 -8.366 -4.194 -5.823 1.00 13.11 C ATOM 0 H ALA A 36 -10.604 -5.207 -5.602 1.00 33.13 H new ATOM 0 HA ALA A 36 -8.783 -4.269 -3.721 1.00 50.21 H new ATOM 0 HB1 ALA A 36 -7.419 -3.667 -5.703 1.00 13.11 H new ATOM 0 HB2 ALA A 36 -8.179 -5.266 -5.886 1.00 13.11 H new ATOM 0 HB3 ALA A 36 -8.856 -3.857 -6.737 1.00 13.11 H new ATOM 565 N ARG A 37 -10.298 -1.825 -5.349 1.00 53.40 N ATOM 566 CA ARG A 37 -10.704 -0.414 -5.266 1.00 61.14 C ATOM 567 C ARG A 37 -11.282 -0.056 -3.880 1.00 75.03 C ATOM 568 O ARG A 37 -11.030 1.029 -3.352 1.00 74.30 O ATOM 569 CB ARG A 37 -11.733 -0.128 -6.370 1.00 40.15 C ATOM 570 CG ARG A 37 -12.831 -1.188 -6.457 1.00 4.52 C ATOM 571 CD ARG A 37 -13.723 -0.998 -7.676 1.00 21.21 C ATOM 572 NE ARG A 37 -14.582 -2.159 -7.901 1.00 31.43 N ATOM 573 CZ ARG A 37 -15.618 -2.159 -8.691 1.00 24.14 C ATOM 574 NH1 ARG A 37 -15.977 -1.078 -9.303 1.00 63.43 N ATOM 575 NH2 ARG A 37 -16.306 -3.238 -8.855 1.00 35.40 N ATOM 0 H ARG A 37 -10.708 -2.327 -6.137 1.00 53.40 H new ATOM 0 HA ARG A 37 -9.821 0.209 -5.407 1.00 61.14 H new ATOM 0 HB2 ARG A 37 -12.190 0.845 -6.189 1.00 40.15 H new ATOM 0 HB3 ARG A 37 -11.220 -0.066 -7.329 1.00 40.15 H new ATOM 0 HG2 ARG A 37 -12.375 -2.178 -6.494 1.00 4.52 H new ATOM 0 HG3 ARG A 37 -13.441 -1.151 -5.554 1.00 4.52 H new ATOM 0 HD2 ARG A 37 -14.340 -0.109 -7.541 1.00 21.21 H new ATOM 0 HD3 ARG A 37 -13.104 -0.826 -8.557 1.00 21.21 H new ATOM 0 HE ARG A 37 -14.356 -3.023 -7.409 1.00 31.43 H new ATOM 0 HH11 ARG A 37 -15.448 -0.216 -9.169 1.00 63.43 H new ATOM 0 HH12 ARG A 37 -16.789 -1.087 -9.920 1.00 63.43 H new ATOM 0 HH21 ARG A 37 -16.039 -4.092 -8.366 1.00 35.40 H new ATOM 0 HH22 ARG A 37 -17.117 -3.237 -9.474 1.00 35.40 H new ATOM 589 N HIS A 38 -12.042 -0.981 -3.290 1.00 32.34 N ATOM 590 CA HIS A 38 -12.635 -0.765 -1.964 1.00 4.01 C ATOM 591 C HIS A 38 -11.557 -0.758 -0.867 1.00 34.22 C ATOM 592 O HIS A 38 -11.649 -0.003 0.103 1.00 53.23 O ATOM 593 CB HIS A 38 -13.693 -1.836 -1.669 1.00 34.35 C ATOM 594 CG HIS A 38 -14.887 -1.769 -2.576 1.00 44.32 C ATOM 595 ND1 HIS A 38 -16.064 -1.195 -2.165 1.00 11.43 N ATOM 596 CD2 HIS A 38 -15.040 -2.218 -3.847 1.00 44.10 C ATOM 597 CE1 HIS A 38 -16.899 -1.306 -3.180 1.00 65.04 C ATOM 598 NE2 HIS A 38 -16.324 -1.917 -4.222 1.00 41.43 N ATOM 0 H HIS A 38 -12.262 -1.886 -3.707 1.00 32.34 H new ATOM 0 HA HIS A 38 -13.118 0.212 -1.967 1.00 4.01 H new ATOM 0 HB2 HIS A 38 -13.235 -2.821 -1.758 1.00 34.35 H new ATOM 0 HB3 HIS A 38 -14.026 -1.731 -0.636 1.00 34.35 H new ATOM 0 HD2 HIS A 38 -14.294 -2.717 -4.448 1.00 44.10 H new ATOM 0 HE1 HIS A 38 -17.918 -0.949 -3.171 1.00 65.04 H new ATOM 0 HE2 HIS A 38 -16.758 -2.120 -5.123 1.00 41.43 H new ATOM 606 N VAL A 39 -10.532 -1.596 -1.029 1.00 72.15 N ATOM 607 CA VAL A 39 -9.378 -1.590 -0.118 1.00 24.12 C ATOM 608 C VAL A 39 -8.728 -0.198 -0.087 1.00 43.20 C ATOM 609 O VAL A 39 -8.321 0.294 0.969 1.00 21.52 O ATOM 610 CB VAL A 39 -8.320 -2.647 -0.532 1.00 2.11 C ATOM 611 CG1 VAL A 39 -7.147 -2.667 0.450 1.00 72.40 C ATOM 612 CG2 VAL A 39 -8.958 -4.032 -0.644 1.00 45.32 C ATOM 0 H VAL A 39 -10.474 -2.286 -1.778 1.00 72.15 H new ATOM 0 HA VAL A 39 -9.745 -1.843 0.876 1.00 24.12 H new ATOM 0 HB VAL A 39 -7.930 -2.368 -1.511 1.00 2.11 H new ATOM 0 HG11 VAL A 39 -6.421 -3.417 0.135 1.00 72.40 H new ATOM 0 HG12 VAL A 39 -6.671 -1.687 0.468 1.00 72.40 H new ATOM 0 HG13 VAL A 39 -7.512 -2.912 1.448 1.00 72.40 H new ATOM 0 HG21 VAL A 39 -8.200 -4.759 -0.935 1.00 45.32 H new ATOM 0 HG22 VAL A 39 -9.382 -4.316 0.319 1.00 45.32 H new ATOM 0 HG23 VAL A 39 -9.747 -4.009 -1.396 1.00 45.32 H new ATOM 622 N GLY A 40 -8.650 0.439 -1.259 1.00 33.23 N ATOM 623 CA GLY A 40 -8.172 1.816 -1.343 1.00 40.11 C ATOM 624 C GLY A 40 -9.050 2.789 -0.559 1.00 14.11 C ATOM 625 O GLY A 40 -8.545 3.696 0.108 1.00 42.12 O ATOM 0 H GLY A 40 -8.910 0.025 -2.154 1.00 33.23 H new ATOM 0 HA2 GLY A 40 -7.151 1.867 -0.964 1.00 40.11 H new ATOM 0 HA3 GLY A 40 -8.139 2.123 -2.388 1.00 40.11 H new ATOM 629 N LYS A 41 -10.368 2.600 -0.640 1.00 63.43 N ATOM 630 CA LYS A 41 -11.319 3.405 0.139 1.00 61.44 C ATOM 631 C LYS A 41 -11.054 3.269 1.645 1.00 61.44 C ATOM 632 O LYS A 41 -11.182 4.234 2.403 1.00 3.03 O ATOM 633 CB LYS A 41 -12.763 2.974 -0.154 1.00 25.05 C ATOM 634 CG LYS A 41 -13.194 3.146 -1.606 1.00 64.45 C ATOM 635 CD LYS A 41 -14.648 2.717 -1.803 1.00 74.53 C ATOM 636 CE LYS A 41 -15.115 2.922 -3.236 1.00 35.11 C ATOM 637 NZ LYS A 41 -16.549 2.566 -3.402 1.00 53.34 N ATOM 0 H LYS A 41 -10.804 1.897 -1.236 1.00 63.43 H new ATOM 0 HA LYS A 41 -11.182 4.445 -0.156 1.00 61.44 H new ATOM 0 HB2 LYS A 41 -12.879 1.927 0.124 1.00 25.05 H new ATOM 0 HB3 LYS A 41 -13.436 3.549 0.482 1.00 25.05 H new ATOM 0 HG2 LYS A 41 -13.076 4.188 -1.903 1.00 64.45 H new ATOM 0 HG3 LYS A 41 -12.546 2.555 -2.253 1.00 64.45 H new ATOM 0 HD2 LYS A 41 -14.755 1.666 -1.534 1.00 74.53 H new ATOM 0 HD3 LYS A 41 -15.288 3.286 -1.129 1.00 74.53 H new ATOM 0 HE2 LYS A 41 -14.962 3.962 -3.523 1.00 35.11 H new ATOM 0 HE3 LYS A 41 -14.509 2.314 -3.907 1.00 35.11 H new ATOM 0 HZ1 LYS A 41 -16.832 2.718 -4.391 1.00 53.34 H new ATOM 0 HZ2 LYS A 41 -16.690 1.567 -3.151 1.00 53.34 H new ATOM 0 HZ3 LYS A 41 -17.129 3.164 -2.780 1.00 53.34 H new ATOM 651 N ALA A 42 -10.698 2.057 2.065 1.00 4.35 N ATOM 652 CA ALA A 42 -10.400 1.769 3.471 1.00 24.01 C ATOM 653 C ALA A 42 -9.154 2.528 3.959 1.00 60.40 C ATOM 654 O ALA A 42 -9.213 3.266 4.943 1.00 71.13 O ATOM 655 CB ALA A 42 -10.217 0.268 3.667 1.00 44.11 C ATOM 0 H ALA A 42 -10.608 1.250 1.447 1.00 4.35 H new ATOM 0 HA ALA A 42 -11.245 2.112 4.068 1.00 24.01 H new ATOM 0 HB1 ALA A 42 -9.996 0.062 4.714 1.00 44.11 H new ATOM 0 HB2 ALA A 42 -11.132 -0.251 3.381 1.00 44.11 H new ATOM 0 HB3 ALA A 42 -9.392 -0.082 3.046 1.00 44.11 H new ATOM 661 N LEU A 43 -8.031 2.349 3.261 1.00 61.54 N ATOM 662 CA LEU A 43 -6.775 3.017 3.636 1.00 21.23 C ATOM 663 C LEU A 43 -6.902 4.548 3.550 1.00 20.53 C ATOM 664 O LEU A 43 -6.279 5.274 4.324 1.00 55.44 O ATOM 665 CB LEU A 43 -5.618 2.535 2.752 1.00 4.53 C ATOM 666 CG LEU A 43 -5.338 1.022 2.797 1.00 30.34 C ATOM 667 CD1 LEU A 43 -4.110 0.680 1.961 1.00 20.30 C ATOM 668 CD2 LEU A 43 -5.160 0.538 4.236 1.00 53.30 C ATOM 0 H LEU A 43 -7.961 1.752 2.437 1.00 61.54 H new ATOM 0 HA LEU A 43 -6.563 2.752 4.672 1.00 21.23 H new ATOM 0 HB2 LEU A 43 -5.829 2.818 1.721 1.00 4.53 H new ATOM 0 HB3 LEU A 43 -4.712 3.064 3.048 1.00 4.53 H new ATOM 0 HG LEU A 43 -6.200 0.507 2.373 1.00 30.34 H new ATOM 0 HD11 LEU A 43 -3.928 -0.394 2.005 1.00 20.30 H new ATOM 0 HD12 LEU A 43 -4.280 0.977 0.926 1.00 20.30 H new ATOM 0 HD13 LEU A 43 -3.243 1.212 2.353 1.00 20.30 H new ATOM 0 HD21 LEU A 43 -4.963 -0.534 4.238 1.00 53.30 H new ATOM 0 HD22 LEU A 43 -4.321 1.061 4.695 1.00 53.30 H new ATOM 0 HD23 LEU A 43 -6.068 0.741 4.803 1.00 53.30 H new ATOM 680 N GLY A 44 -7.718 5.032 2.612 1.00 41.12 N ATOM 681 CA GLY A 44 -7.965 6.467 2.491 1.00 20.12 C ATOM 682 C GLY A 44 -8.593 7.087 3.742 1.00 55.14 C ATOM 683 O GLY A 44 -8.501 8.299 3.957 1.00 75.03 O ATOM 0 H GLY A 44 -8.214 4.456 1.932 1.00 41.12 H new ATOM 0 HA2 GLY A 44 -7.023 6.973 2.278 1.00 20.12 H new ATOM 0 HA3 GLY A 44 -8.621 6.644 1.639 1.00 20.12 H new ATOM 687 N ASN A 45 -9.232 6.257 4.568 1.00 42.03 N ATOM 688 CA ASN A 45 -9.857 6.724 5.816 1.00 15.34 C ATOM 689 C ASN A 45 -8.824 6.788 6.961 1.00 1.14 C ATOM 690 O ASN A 45 -9.096 7.333 8.036 1.00 41.22 O ATOM 691 CB ASN A 45 -11.013 5.791 6.207 1.00 62.54 C ATOM 692 CG ASN A 45 -11.841 6.331 7.364 1.00 23.21 C ATOM 693 OD1 ASN A 45 -12.018 7.535 7.507 1.00 12.12 O ATOM 694 ND2 ASN A 45 -12.347 5.451 8.201 1.00 3.03 N ATOM 0 H ASN A 45 -9.333 5.256 4.399 1.00 42.03 H new ATOM 0 HA ASN A 45 -10.245 7.728 5.647 1.00 15.34 H new ATOM 0 HB2 ASN A 45 -11.660 5.640 5.343 1.00 62.54 H new ATOM 0 HB3 ASN A 45 -10.610 4.815 6.479 1.00 62.54 H new ATOM 0 HD21 ASN A 45 -12.904 5.765 8.996 1.00 3.03 H new ATOM 0 HD22 ASN A 45 -12.182 4.455 8.055 1.00 3.03 H new ATOM 701 N LEU A 46 -7.641 6.226 6.722 1.00 3.35 N ATOM 702 CA LEU A 46 -6.577 6.181 7.731 1.00 64.05 C ATOM 703 C LEU A 46 -5.700 7.441 7.696 1.00 33.34 C ATOM 704 O LEU A 46 -5.382 7.959 6.623 1.00 30.52 O ATOM 705 CB LEU A 46 -5.702 4.938 7.521 1.00 11.01 C ATOM 706 CG LEU A 46 -6.421 3.592 7.690 1.00 54.32 C ATOM 707 CD1 LEU A 46 -5.477 2.442 7.366 1.00 4.31 C ATOM 708 CD2 LEU A 46 -6.978 3.452 9.109 1.00 73.24 C ATOM 0 H LEU A 46 -7.391 5.792 5.833 1.00 3.35 H new ATOM 0 HA LEU A 46 -7.057 6.133 8.709 1.00 64.05 H new ATOM 0 HB2 LEU A 46 -5.275 4.980 6.519 1.00 11.01 H new ATOM 0 HB3 LEU A 46 -4.870 4.977 8.224 1.00 11.01 H new ATOM 0 HG LEU A 46 -7.258 3.557 6.992 1.00 54.32 H new ATOM 0 HD11 LEU A 46 -6.001 1.495 7.491 1.00 4.31 H new ATOM 0 HD12 LEU A 46 -5.132 2.533 6.336 1.00 4.31 H new ATOM 0 HD13 LEU A 46 -4.620 2.474 8.039 1.00 4.31 H new ATOM 0 HD21 LEU A 46 -7.484 2.492 9.208 1.00 73.24 H new ATOM 0 HD22 LEU A 46 -6.161 3.508 9.828 1.00 73.24 H new ATOM 0 HD23 LEU A 46 -7.687 4.257 9.303 1.00 73.24 H new ATOM 720 N PRO A 47 -5.307 7.958 8.874 1.00 5.21 N ATOM 721 CA PRO A 47 -4.401 9.103 8.972 1.00 14.02 C ATOM 722 C PRO A 47 -2.920 8.688 8.980 1.00 60.21 C ATOM 723 O PRO A 47 -2.591 7.501 9.053 1.00 23.51 O ATOM 724 CB PRO A 47 -4.795 9.707 10.321 1.00 54.23 C ATOM 725 CG PRO A 47 -5.151 8.521 11.158 1.00 14.23 C ATOM 726 CD PRO A 47 -5.725 7.484 10.212 1.00 60.02 C ATOM 0 HA PRO A 47 -4.490 9.782 8.124 1.00 14.02 H new ATOM 0 HB2 PRO A 47 -3.974 10.273 10.760 1.00 54.23 H new ATOM 0 HB3 PRO A 47 -5.637 10.392 10.221 1.00 54.23 H new ATOM 0 HG2 PRO A 47 -4.273 8.132 11.673 1.00 14.23 H new ATOM 0 HG3 PRO A 47 -5.877 8.791 11.925 1.00 14.23 H new ATOM 0 HD2 PRO A 47 -5.334 6.489 10.424 1.00 60.02 H new ATOM 0 HD3 PRO A 47 -6.810 7.424 10.294 1.00 60.02 H new ATOM 734 N GLU A 48 -2.026 9.671 8.928 1.00 54.44 N ATOM 735 CA GLU A 48 -0.582 9.407 8.981 1.00 73.34 C ATOM 736 C GLU A 48 -0.149 8.864 10.357 1.00 22.23 C ATOM 737 O GLU A 48 0.965 8.358 10.514 1.00 1.04 O ATOM 738 CB GLU A 48 0.200 10.680 8.629 1.00 43.31 C ATOM 739 CG GLU A 48 -0.193 11.903 9.453 1.00 72.44 C ATOM 740 CD GLU A 48 0.540 13.161 9.012 1.00 24.11 C ATOM 741 OE1 GLU A 48 0.052 13.853 8.096 1.00 12.13 O ATOM 742 OE2 GLU A 48 1.609 13.462 9.581 1.00 23.22 O ATOM 0 H GLU A 48 -2.270 10.658 8.849 1.00 54.44 H new ATOM 0 HA GLU A 48 -0.356 8.636 8.245 1.00 73.34 H new ATOM 0 HB2 GLU A 48 1.264 10.489 8.767 1.00 43.31 H new ATOM 0 HB3 GLU A 48 0.051 10.904 7.573 1.00 43.31 H new ATOM 0 HG2 GLU A 48 -1.268 12.064 9.369 1.00 72.44 H new ATOM 0 HG3 GLU A 48 0.019 11.712 10.505 1.00 72.44 H new ATOM 749 N GLY A 49 -1.039 8.962 11.347 1.00 34.22 N ATOM 750 CA GLY A 49 -0.764 8.413 12.675 1.00 43.23 C ATOM 751 C GLY A 49 -1.361 7.021 12.894 1.00 34.35 C ATOM 752 O GLY A 49 -1.762 6.675 14.008 1.00 25.21 O ATOM 0 H GLY A 49 -1.949 9.413 11.255 1.00 34.22 H new ATOM 0 HA2 GLY A 49 0.315 8.365 12.824 1.00 43.23 H new ATOM 0 HA3 GLY A 49 -1.160 9.093 13.430 1.00 43.23 H new ATOM 756 N SER A 50 -1.428 6.219 11.833 1.00 45.23 N ATOM 757 CA SER A 50 -1.939 4.839 11.926 1.00 34.50 C ATOM 758 C SER A 50 -0.797 3.826 12.100 1.00 52.20 C ATOM 759 O SER A 50 0.228 3.911 11.420 1.00 45.54 O ATOM 760 CB SER A 50 -2.744 4.473 10.671 1.00 1.25 C ATOM 761 OG SER A 50 -3.111 3.099 10.676 1.00 0.13 O ATOM 0 H SER A 50 -1.136 6.495 10.895 1.00 45.23 H new ATOM 0 HA SER A 50 -2.585 4.795 12.803 1.00 34.50 H new ATOM 0 HB2 SER A 50 -3.640 5.091 10.618 1.00 1.25 H new ATOM 0 HB3 SER A 50 -2.154 4.691 9.781 1.00 1.25 H new ATOM 0 HG SER A 50 -2.446 2.581 10.175 1.00 0.13 H new ATOM 767 N LYS A 51 -0.971 2.873 13.020 1.00 32.11 N ATOM 768 CA LYS A 51 0.001 1.782 13.198 1.00 34.33 C ATOM 769 C LYS A 51 -0.031 0.810 12.008 1.00 45.20 C ATOM 770 O LYS A 51 0.973 0.177 11.681 1.00 43.52 O ATOM 771 CB LYS A 51 -0.257 1.021 14.510 1.00 2.33 C ATOM 772 CG LYS A 51 -1.674 0.465 14.649 1.00 20.13 C ATOM 773 CD LYS A 51 -1.821 -0.401 15.899 1.00 52.20 C ATOM 774 CE LYS A 51 -3.274 -0.787 16.167 1.00 41.44 C ATOM 775 NZ LYS A 51 -4.098 0.387 16.561 1.00 4.15 N ATOM 0 H LYS A 51 -1.771 2.831 13.652 1.00 32.11 H new ATOM 0 HA LYS A 51 0.992 2.233 13.248 1.00 34.33 H new ATOM 0 HB2 LYS A 51 0.452 0.197 14.583 1.00 2.33 H new ATOM 0 HB3 LYS A 51 -0.058 1.689 15.348 1.00 2.33 H new ATOM 0 HG2 LYS A 51 -2.386 1.289 14.692 1.00 20.13 H new ATOM 0 HG3 LYS A 51 -1.922 -0.125 13.766 1.00 20.13 H new ATOM 0 HD2 LYS A 51 -1.222 -1.305 15.785 1.00 52.20 H new ATOM 0 HD3 LYS A 51 -1.425 0.137 16.760 1.00 52.20 H new ATOM 0 HE2 LYS A 51 -3.698 -1.245 15.273 1.00 41.44 H new ATOM 0 HE3 LYS A 51 -3.310 -1.537 16.957 1.00 41.44 H new ATOM 0 HZ1 LYS A 51 -5.008 0.060 16.944 1.00 4.15 H new ATOM 0 HZ2 LYS A 51 -3.595 0.936 17.287 1.00 4.15 H new ATOM 0 HZ3 LYS A 51 -4.268 0.987 15.729 1.00 4.15 H new ATOM 789 N LEU A 52 -1.193 0.703 11.367 1.00 54.24 N ATOM 790 CA LEU A 52 -1.349 -0.123 10.166 1.00 21.53 C ATOM 791 C LEU A 52 -0.662 0.542 8.965 1.00 55.14 C ATOM 792 O LEU A 52 -1.047 1.646 8.561 1.00 54.00 O ATOM 793 CB LEU A 52 -2.841 -0.327 9.860 1.00 1.11 C ATOM 794 CG LEU A 52 -3.157 -1.058 8.542 1.00 62.02 C ATOM 795 CD1 LEU A 52 -2.715 -2.520 8.600 1.00 73.31 C ATOM 796 CD2 LEU A 52 -4.643 -0.951 8.221 1.00 53.13 C ATOM 0 H LEU A 52 -2.046 1.180 11.659 1.00 54.24 H new ATOM 0 HA LEU A 52 -0.882 -1.091 10.348 1.00 21.53 H new ATOM 0 HB2 LEU A 52 -3.288 -0.887 10.681 1.00 1.11 H new ATOM 0 HB3 LEU A 52 -3.326 0.649 9.838 1.00 1.11 H new ATOM 0 HG LEU A 52 -2.594 -0.576 7.742 1.00 62.02 H new ATOM 0 HD11 LEU A 52 -2.951 -3.009 7.655 1.00 73.31 H new ATOM 0 HD12 LEU A 52 -1.640 -2.569 8.775 1.00 73.31 H new ATOM 0 HD13 LEU A 52 -3.238 -3.026 9.412 1.00 73.31 H new ATOM 0 HD21 LEU A 52 -4.852 -1.472 7.287 1.00 53.13 H new ATOM 0 HD22 LEU A 52 -5.223 -1.403 9.026 1.00 53.13 H new ATOM 0 HD23 LEU A 52 -4.919 0.099 8.120 1.00 53.13 H new ATOM 808 N PRO A 53 0.363 -0.101 8.371 1.00 62.41 N ATOM 809 CA PRO A 53 1.080 0.484 7.231 1.00 75.21 C ATOM 810 C PRO A 53 0.201 0.587 5.973 1.00 72.21 C ATOM 811 O PRO A 53 0.082 -0.359 5.195 1.00 0.12 O ATOM 812 CB PRO A 53 2.255 -0.483 7.014 1.00 52.20 C ATOM 813 CG PRO A 53 1.789 -1.779 7.588 1.00 61.34 C ATOM 814 CD PRO A 53 0.906 -1.420 8.757 1.00 42.11 C ATOM 0 HA PRO A 53 1.395 1.509 7.426 1.00 75.21 H new ATOM 0 HB2 PRO A 53 2.496 -0.582 5.956 1.00 52.20 H new ATOM 0 HB3 PRO A 53 3.157 -0.130 7.514 1.00 52.20 H new ATOM 0 HG2 PRO A 53 1.239 -2.359 6.847 1.00 61.34 H new ATOM 0 HG3 PRO A 53 2.633 -2.390 7.909 1.00 61.34 H new ATOM 0 HD2 PRO A 53 0.114 -2.155 8.905 1.00 42.11 H new ATOM 0 HD3 PRO A 53 1.471 -1.367 9.688 1.00 42.11 H new ATOM 822 N TRP A 54 -0.398 1.755 5.778 1.00 25.41 N ATOM 823 CA TRP A 54 -1.217 2.025 4.593 1.00 2.51 C ATOM 824 C TRP A 54 -0.332 2.387 3.392 1.00 60.10 C ATOM 825 O TRP A 54 -0.651 2.079 2.245 1.00 23.11 O ATOM 826 CB TRP A 54 -2.218 3.156 4.893 1.00 13.11 C ATOM 827 CG TRP A 54 -1.589 4.396 5.478 1.00 31.34 C ATOM 828 CD1 TRP A 54 -1.438 4.690 6.804 1.00 54.32 C ATOM 829 CD2 TRP A 54 -1.034 5.506 4.757 1.00 15.14 C ATOM 830 NE1 TRP A 54 -0.819 5.908 6.951 1.00 33.20 N ATOM 831 CE2 TRP A 54 -0.562 6.431 5.710 1.00 24.32 C ATOM 832 CE3 TRP A 54 -0.886 5.805 3.399 1.00 15.24 C ATOM 833 CZ2 TRP A 54 0.048 7.633 5.343 1.00 23.51 C ATOM 834 CZ3 TRP A 54 -0.285 6.996 3.041 1.00 50.54 C ATOM 835 CH2 TRP A 54 0.175 7.896 4.009 1.00 70.25 C ATOM 0 H TRP A 54 -0.334 2.539 6.428 1.00 25.41 H new ATOM 0 HA TRP A 54 -1.774 1.123 4.339 1.00 2.51 H new ATOM 0 HB2 TRP A 54 -2.734 3.424 3.971 1.00 13.11 H new ATOM 0 HB3 TRP A 54 -2.974 2.784 5.585 1.00 13.11 H new ATOM 0 HD1 TRP A 54 -1.759 4.057 7.618 1.00 54.32 H new ATOM 0 HE1 TRP A 54 -0.588 6.351 7.840 1.00 33.20 H new ATOM 0 HE3 TRP A 54 -1.235 5.117 2.643 1.00 15.24 H new ATOM 0 HZ2 TRP A 54 0.406 8.329 6.087 1.00 23.51 H new ATOM 0 HZ3 TRP A 54 -0.168 7.237 1.995 1.00 50.54 H new ATOM 0 HH2 TRP A 54 0.640 8.818 3.694 1.00 70.25 H new ATOM 846 N PHE A 55 0.799 3.017 3.686 1.00 23.55 N ATOM 847 CA PHE A 55 1.745 3.472 2.661 1.00 72.25 C ATOM 848 C PHE A 55 2.358 2.318 1.844 1.00 33.54 C ATOM 849 O PHE A 55 2.826 2.529 0.726 1.00 23.41 O ATOM 850 CB PHE A 55 2.851 4.317 3.320 1.00 0.01 C ATOM 851 CG PHE A 55 3.459 3.693 4.558 1.00 55.41 C ATOM 852 CD1 PHE A 55 2.907 3.929 5.811 1.00 60.54 C ATOM 853 CD2 PHE A 55 4.581 2.882 4.471 1.00 24.13 C ATOM 854 CE1 PHE A 55 3.458 3.366 6.946 1.00 51.22 C ATOM 855 CE2 PHE A 55 5.135 2.319 5.605 1.00 32.10 C ATOM 856 CZ PHE A 55 4.574 2.562 6.843 1.00 44.21 C ATOM 0 H PHE A 55 1.091 3.229 4.640 1.00 23.55 H new ATOM 0 HA PHE A 55 1.184 4.080 1.951 1.00 72.25 H new ATOM 0 HB2 PHE A 55 3.642 4.492 2.590 1.00 0.01 H new ATOM 0 HB3 PHE A 55 2.439 5.291 3.584 1.00 0.01 H new ATOM 0 HD1 PHE A 55 2.036 4.561 5.899 1.00 60.54 H new ATOM 0 HD2 PHE A 55 5.027 2.688 3.506 1.00 24.13 H new ATOM 0 HE1 PHE A 55 3.015 3.555 7.913 1.00 51.22 H new ATOM 0 HE2 PHE A 55 6.008 1.688 5.523 1.00 32.10 H new ATOM 0 HZ PHE A 55 5.008 2.123 7.729 1.00 44.21 H new ATOM 866 N ARG A 56 2.348 1.105 2.397 1.00 64.11 N ATOM 867 CA ARG A 56 2.948 -0.058 1.721 1.00 4.34 C ATOM 868 C ARG A 56 1.986 -0.720 0.716 1.00 25.04 C ATOM 869 O ARG A 56 2.350 -1.695 0.061 1.00 60.44 O ATOM 870 CB ARG A 56 3.402 -1.106 2.749 1.00 20.42 C ATOM 871 CG ARG A 56 4.523 -0.636 3.674 1.00 23.23 C ATOM 872 CD ARG A 56 4.963 -1.743 4.630 1.00 12.52 C ATOM 873 NE ARG A 56 5.973 -1.285 5.588 1.00 0.50 N ATOM 874 CZ ARG A 56 6.251 -1.899 6.709 1.00 71.23 C ATOM 875 NH1 ARG A 56 5.642 -2.992 7.031 1.00 35.32 N ATOM 876 NH2 ARG A 56 7.151 -1.424 7.503 1.00 53.02 N ATOM 0 H ARG A 56 1.935 0.897 3.306 1.00 64.11 H new ATOM 0 HA ARG A 56 3.807 0.318 1.166 1.00 4.34 H new ATOM 0 HB2 ARG A 56 2.545 -1.398 3.356 1.00 20.42 H new ATOM 0 HB3 ARG A 56 3.735 -1.998 2.218 1.00 20.42 H new ATOM 0 HG2 ARG A 56 5.375 -0.309 3.078 1.00 23.23 H new ATOM 0 HG3 ARG A 56 4.185 0.228 4.247 1.00 23.23 H new ATOM 0 HD2 ARG A 56 4.095 -2.117 5.173 1.00 12.52 H new ATOM 0 HD3 ARG A 56 5.364 -2.578 4.055 1.00 12.52 H new ATOM 0 HE ARG A 56 6.491 -0.435 5.367 1.00 0.50 H new ATOM 0 HH11 ARG A 56 4.936 -3.385 6.408 1.00 35.32 H new ATOM 0 HH12 ARG A 56 5.867 -3.462 7.908 1.00 35.32 H new ATOM 0 HH21 ARG A 56 7.648 -0.568 7.257 1.00 53.02 H new ATOM 0 HH22 ARG A 56 7.366 -1.905 8.377 1.00 53.02 H new ATOM 890 N VAL A 57 0.763 -0.202 0.598 1.00 3.51 N ATOM 891 CA VAL A 57 -0.235 -0.789 -0.311 1.00 24.54 C ATOM 892 C VAL A 57 -0.658 0.208 -1.409 1.00 55.53 C ATOM 893 O VAL A 57 -1.384 1.172 -1.155 1.00 33.25 O ATOM 894 CB VAL A 57 -1.488 -1.275 0.461 1.00 61.43 C ATOM 895 CG1 VAL A 57 -2.437 -2.038 -0.465 1.00 22.32 C ATOM 896 CG2 VAL A 57 -1.087 -2.135 1.660 1.00 71.14 C ATOM 0 H VAL A 57 0.437 0.616 1.113 1.00 3.51 H new ATOM 0 HA VAL A 57 0.240 -1.648 -0.785 1.00 24.54 H new ATOM 0 HB VAL A 57 -2.016 -0.398 0.835 1.00 61.43 H new ATOM 0 HG11 VAL A 57 -3.309 -2.369 0.100 1.00 22.32 H new ATOM 0 HG12 VAL A 57 -2.757 -1.384 -1.277 1.00 22.32 H new ATOM 0 HG13 VAL A 57 -1.922 -2.905 -0.879 1.00 22.32 H new ATOM 0 HG21 VAL A 57 -1.982 -2.465 2.187 1.00 71.14 H new ATOM 0 HG22 VAL A 57 -0.529 -3.005 1.313 1.00 71.14 H new ATOM 0 HG23 VAL A 57 -0.464 -1.549 2.336 1.00 71.14 H new ATOM 906 N ILE A 58 -0.194 -0.039 -2.634 1.00 63.12 N ATOM 907 CA ILE A 58 -0.455 0.853 -3.772 1.00 34.23 C ATOM 908 C ILE A 58 -1.366 0.194 -4.830 1.00 32.54 C ATOM 909 O ILE A 58 -1.954 -0.863 -4.598 1.00 43.41 O ATOM 910 CB ILE A 58 0.873 1.303 -4.433 1.00 20.22 C ATOM 911 CG1 ILE A 58 1.684 0.085 -4.913 1.00 1.14 C ATOM 912 CG2 ILE A 58 1.692 2.153 -3.459 1.00 33.42 C ATOM 913 CD1 ILE A 58 2.995 0.447 -5.579 1.00 21.13 C ATOM 0 H ILE A 58 0.370 -0.856 -2.868 1.00 63.12 H new ATOM 0 HA ILE A 58 -0.976 1.725 -3.377 1.00 34.23 H new ATOM 0 HB ILE A 58 0.635 1.913 -5.304 1.00 20.22 H new ATOM 0 HG12 ILE A 58 1.887 -0.563 -4.061 1.00 1.14 H new ATOM 0 HG13 ILE A 58 1.078 -0.490 -5.613 1.00 1.14 H new ATOM 0 HG21 ILE A 58 2.621 2.461 -3.938 1.00 33.42 H new ATOM 0 HG22 ILE A 58 1.119 3.036 -3.176 1.00 33.42 H new ATOM 0 HG23 ILE A 58 1.920 1.568 -2.568 1.00 33.42 H new ATOM 0 HD11 ILE A 58 3.509 -0.463 -5.890 1.00 21.13 H new ATOM 0 HD12 ILE A 58 2.800 1.070 -6.452 1.00 21.13 H new ATOM 0 HD13 ILE A 58 3.621 0.995 -4.875 1.00 21.13 H new ATOM 925 N ASN A 59 -1.486 0.838 -5.993 1.00 11.12 N ATOM 926 CA ASN A 59 -2.397 0.378 -7.051 1.00 52.00 C ATOM 927 C ASN A 59 -1.688 -0.504 -8.100 1.00 13.14 C ATOM 928 O ASN A 59 -0.463 -0.608 -8.122 1.00 2.34 O ATOM 929 CB ASN A 59 -3.058 1.594 -7.721 1.00 33.12 C ATOM 930 CG ASN A 59 -2.051 2.596 -8.268 1.00 13.31 C ATOM 931 OD1 ASN A 59 -0.986 2.231 -8.753 1.00 30.55 O ATOM 932 ND2 ASN A 59 -2.372 3.868 -8.177 1.00 3.12 N ATOM 0 H ASN A 59 -0.964 1.682 -6.229 1.00 11.12 H new ATOM 0 HA ASN A 59 -3.160 -0.247 -6.586 1.00 52.00 H new ATOM 0 HB2 ASN A 59 -3.698 1.250 -8.534 1.00 33.12 H new ATOM 0 HB3 ASN A 59 -3.703 2.094 -6.998 1.00 33.12 H new ATOM 0 HD21 ASN A 59 -1.727 4.582 -8.515 1.00 3.12 H new ATOM 0 HD22 ASN A 59 -3.266 4.140 -7.768 1.00 3.12 H new ATOM 939 N SER A 60 -2.481 -1.125 -8.979 1.00 33.43 N ATOM 940 CA SER A 60 -1.955 -2.029 -10.024 1.00 52.43 C ATOM 941 C SER A 60 -1.047 -1.300 -11.029 1.00 34.44 C ATOM 942 O SER A 60 -0.273 -1.932 -11.751 1.00 23.40 O ATOM 943 CB SER A 60 -3.114 -2.706 -10.773 1.00 72.20 C ATOM 944 OG SER A 60 -2.651 -3.465 -11.884 1.00 24.52 O ATOM 0 H SER A 60 -3.496 -1.022 -8.993 1.00 33.43 H new ATOM 0 HA SER A 60 -1.349 -2.781 -9.518 1.00 52.43 H new ATOM 0 HB2 SER A 60 -3.658 -3.357 -10.089 1.00 72.20 H new ATOM 0 HB3 SER A 60 -3.817 -1.947 -11.118 1.00 72.20 H new ATOM 0 HG SER A 60 -3.414 -3.882 -12.336 1.00 24.52 H new ATOM 950 N GLN A 61 -1.140 0.028 -11.073 1.00 4.15 N ATOM 951 CA GLN A 61 -0.286 0.834 -11.955 1.00 30.50 C ATOM 952 C GLN A 61 1.143 0.944 -11.394 1.00 2.14 C ATOM 953 O GLN A 61 2.075 1.341 -12.099 1.00 25.23 O ATOM 954 CB GLN A 61 -0.873 2.246 -12.128 1.00 0.22 C ATOM 955 CG GLN A 61 -2.276 2.279 -12.727 1.00 14.23 C ATOM 956 CD GLN A 61 -2.794 3.697 -12.914 1.00 60.41 C ATOM 957 OE1 GLN A 61 -2.027 4.631 -13.137 1.00 35.44 O ATOM 958 NE2 GLN A 61 -4.099 3.872 -12.834 1.00 30.24 N ATOM 0 H GLN A 61 -1.795 0.571 -10.511 1.00 4.15 H new ATOM 0 HA GLN A 61 -0.247 0.334 -12.923 1.00 30.50 H new ATOM 0 HB2 GLN A 61 -0.895 2.738 -11.156 1.00 0.22 H new ATOM 0 HB3 GLN A 61 -0.206 2.828 -12.765 1.00 0.22 H new ATOM 0 HG2 GLN A 61 -2.269 1.768 -13.690 1.00 14.23 H new ATOM 0 HG3 GLN A 61 -2.958 1.729 -12.079 1.00 14.23 H new ATOM 0 HE21 GLN A 61 -4.710 3.077 -12.648 1.00 30.24 H new ATOM 0 HE22 GLN A 61 -4.497 4.803 -12.959 1.00 30.24 H new ATOM 967 N GLY A 62 1.307 0.587 -10.121 1.00 50.44 N ATOM 968 CA GLY A 62 2.585 0.770 -9.449 1.00 14.23 C ATOM 969 C GLY A 62 2.848 2.233 -9.115 1.00 52.12 C ATOM 970 O GLY A 62 3.946 2.746 -9.335 1.00 4.43 O ATOM 0 H GLY A 62 0.576 0.173 -9.542 1.00 50.44 H new ATOM 0 HA2 GLY A 62 2.601 0.180 -8.533 1.00 14.23 H new ATOM 0 HA3 GLY A 62 3.386 0.393 -10.085 1.00 14.23 H new ATOM 974 N LYS A 63 1.820 2.909 -8.611 1.00 1.24 N ATOM 975 CA LYS A 63 1.905 4.327 -8.242 1.00 34.45 C ATOM 976 C LYS A 63 1.284 4.590 -6.865 1.00 34.42 C ATOM 977 O LYS A 63 0.512 3.781 -6.349 1.00 40.51 O ATOM 978 CB LYS A 63 1.181 5.201 -9.282 1.00 53.24 C ATOM 979 CG LYS A 63 1.974 5.479 -10.554 1.00 52.44 C ATOM 980 CD LYS A 63 1.202 6.415 -11.484 1.00 74.55 C ATOM 981 CE LYS A 63 2.033 6.856 -12.686 1.00 32.14 C ATOM 982 NZ LYS A 63 1.242 7.695 -13.628 1.00 33.40 N ATOM 0 H LYS A 63 0.903 2.494 -8.445 1.00 1.24 H new ATOM 0 HA LYS A 63 2.964 4.584 -8.209 1.00 34.45 H new ATOM 0 HB2 LYS A 63 0.245 4.714 -9.555 1.00 53.24 H new ATOM 0 HB3 LYS A 63 0.922 6.153 -8.818 1.00 53.24 H new ATOM 0 HG2 LYS A 63 2.935 5.925 -10.298 1.00 52.44 H new ATOM 0 HG3 LYS A 63 2.185 4.541 -11.068 1.00 52.44 H new ATOM 0 HD2 LYS A 63 0.300 5.913 -11.834 1.00 74.55 H new ATOM 0 HD3 LYS A 63 0.881 7.294 -10.925 1.00 74.55 H new ATOM 0 HE2 LYS A 63 2.901 7.417 -12.341 1.00 32.14 H new ATOM 0 HE3 LYS A 63 2.409 5.977 -13.210 1.00 32.14 H new ATOM 0 HZ1 LYS A 63 1.841 7.974 -14.431 1.00 33.40 H new ATOM 0 HZ2 LYS A 63 0.427 7.151 -13.977 1.00 33.40 H new ATOM 0 HZ3 LYS A 63 0.904 8.546 -13.135 1.00 33.40 H new ATOM 996 N ILE A 64 1.624 5.737 -6.288 1.00 23.13 N ATOM 997 CA ILE A 64 0.995 6.200 -5.052 1.00 72.32 C ATOM 998 C ILE A 64 -0.461 6.611 -5.320 1.00 71.31 C ATOM 999 O ILE A 64 -0.726 7.502 -6.129 1.00 64.34 O ATOM 1000 CB ILE A 64 1.779 7.393 -4.442 1.00 2.30 C ATOM 1001 CG1 ILE A 64 3.193 6.945 -4.027 1.00 64.54 C ATOM 1002 CG2 ILE A 64 1.028 7.998 -3.255 1.00 11.40 C ATOM 1003 CD1 ILE A 64 4.043 8.047 -3.428 1.00 43.02 C ATOM 0 H ILE A 64 2.335 6.368 -6.657 1.00 23.13 H new ATOM 0 HA ILE A 64 1.009 5.378 -4.336 1.00 72.32 H new ATOM 0 HB ILE A 64 1.870 8.168 -5.204 1.00 2.30 H new ATOM 0 HG12 ILE A 64 3.107 6.134 -3.304 1.00 64.54 H new ATOM 0 HG13 ILE A 64 3.705 6.541 -4.900 1.00 64.54 H new ATOM 0 HG21 ILE A 64 1.601 8.831 -2.848 1.00 11.40 H new ATOM 0 HG22 ILE A 64 0.053 8.355 -3.585 1.00 11.40 H new ATOM 0 HG23 ILE A 64 0.894 7.239 -2.484 1.00 11.40 H new ATOM 0 HD11 ILE A 64 5.022 7.648 -3.163 1.00 43.02 H new ATOM 0 HD12 ILE A 64 4.163 8.850 -4.155 1.00 43.02 H new ATOM 0 HD13 ILE A 64 3.556 8.437 -2.534 1.00 43.02 H new ATOM 1015 N SER A 65 -1.398 5.936 -4.661 1.00 63.32 N ATOM 1016 CA SER A 65 -2.835 6.183 -4.867 1.00 72.11 C ATOM 1017 C SER A 65 -3.261 7.568 -4.371 1.00 65.44 C ATOM 1018 O SER A 65 -4.227 8.144 -4.872 1.00 54.33 O ATOM 1019 CB SER A 65 -3.666 5.112 -4.152 1.00 20.03 C ATOM 1020 OG SER A 65 -3.333 3.814 -4.611 1.00 54.13 O ATOM 0 H SER A 65 -1.194 5.209 -3.975 1.00 63.32 H new ATOM 0 HA SER A 65 -3.015 6.139 -5.941 1.00 72.11 H new ATOM 0 HB2 SER A 65 -3.497 5.175 -3.077 1.00 20.03 H new ATOM 0 HB3 SER A 65 -4.727 5.299 -4.320 1.00 20.03 H new ATOM 0 HG SER A 65 -3.523 3.159 -3.907 1.00 54.13 H new ATOM 1026 N LEU A 66 -2.548 8.095 -3.381 1.00 22.21 N ATOM 1027 CA LEU A 66 -2.863 9.411 -2.819 1.00 44.30 C ATOM 1028 C LEU A 66 -2.377 10.551 -3.731 1.00 21.31 C ATOM 1029 O LEU A 66 -1.574 10.340 -4.643 1.00 41.35 O ATOM 1030 CB LEU A 66 -2.270 9.538 -1.412 1.00 15.33 C ATOM 1031 CG LEU A 66 -2.861 8.566 -0.374 1.00 12.23 C ATOM 1032 CD1 LEU A 66 -2.252 8.801 1.002 1.00 11.24 C ATOM 1033 CD2 LEU A 66 -4.384 8.691 -0.318 1.00 64.42 C ATOM 0 H LEU A 66 -1.747 7.634 -2.949 1.00 22.21 H new ATOM 0 HA LEU A 66 -3.947 9.499 -2.751 1.00 44.30 H new ATOM 0 HB2 LEU A 66 -1.194 9.376 -1.470 1.00 15.33 H new ATOM 0 HB3 LEU A 66 -2.420 10.559 -1.060 1.00 15.33 H new ATOM 0 HG LEU A 66 -2.613 7.551 -0.685 1.00 12.23 H new ATOM 0 HD11 LEU A 66 -2.686 8.102 1.716 1.00 11.24 H new ATOM 0 HD12 LEU A 66 -1.174 8.648 0.954 1.00 11.24 H new ATOM 0 HD13 LEU A 66 -2.459 9.822 1.322 1.00 11.24 H new ATOM 0 HD21 LEU A 66 -4.779 7.995 0.422 1.00 64.42 H new ATOM 0 HD22 LEU A 66 -4.656 9.709 -0.040 1.00 64.42 H new ATOM 0 HD23 LEU A 66 -4.804 8.458 -1.296 1.00 64.42 H new ATOM 1045 N LYS A 67 -2.859 11.764 -3.468 1.00 12.23 N ATOM 1046 CA LYS A 67 -2.631 12.902 -4.369 1.00 14.10 C ATOM 1047 C LYS A 67 -2.192 14.164 -3.607 1.00 23.45 C ATOM 1048 O LYS A 67 -2.572 14.375 -2.454 1.00 71.52 O ATOM 1049 CB LYS A 67 -3.917 13.179 -5.162 1.00 61.40 C ATOM 1050 CG LYS A 67 -5.133 13.461 -4.279 1.00 11.52 C ATOM 1051 CD LYS A 67 -6.444 13.408 -5.062 1.00 21.53 C ATOM 1052 CE LYS A 67 -6.488 14.439 -6.182 1.00 72.32 C ATOM 1053 NZ LYS A 67 -7.773 14.391 -6.927 1.00 50.52 N ATOM 0 H LYS A 67 -3.410 11.989 -2.640 1.00 12.23 H new ATOM 0 HA LYS A 67 -1.820 12.642 -5.049 1.00 14.10 H new ATOM 0 HB2 LYS A 67 -3.751 14.032 -5.820 1.00 61.40 H new ATOM 0 HB3 LYS A 67 -4.133 12.321 -5.799 1.00 61.40 H new ATOM 0 HG2 LYS A 67 -5.167 12.733 -3.468 1.00 11.52 H new ATOM 0 HG3 LYS A 67 -5.026 14.444 -3.820 1.00 11.52 H new ATOM 0 HD2 LYS A 67 -6.573 12.411 -5.483 1.00 21.53 H new ATOM 0 HD3 LYS A 67 -7.279 13.577 -4.382 1.00 21.53 H new ATOM 0 HE2 LYS A 67 -6.347 15.436 -5.764 1.00 72.32 H new ATOM 0 HE3 LYS A 67 -5.662 14.263 -6.871 1.00 72.32 H new ATOM 0 HZ1 LYS A 67 -7.764 15.107 -7.681 1.00 50.52 H new ATOM 0 HZ2 LYS A 67 -7.896 13.448 -7.347 1.00 50.52 H new ATOM 0 HZ3 LYS A 67 -8.560 14.584 -6.275 1.00 50.52 H new ATOM 1067 N GLY A 68 -1.380 14.994 -4.265 1.00 55.42 N ATOM 1068 CA GLY A 68 -0.911 16.239 -3.663 1.00 45.23 C ATOM 1069 C GLY A 68 -0.047 16.029 -2.422 1.00 73.54 C ATOM 1070 O GLY A 68 0.961 15.320 -2.469 1.00 32.41 O ATOM 0 H GLY A 68 -1.036 14.826 -5.210 1.00 55.42 H new ATOM 0 HA2 GLY A 68 -0.339 16.798 -4.403 1.00 45.23 H new ATOM 0 HA3 GLY A 68 -1.772 16.851 -3.397 1.00 45.23 H new ATOM 1074 N ARG A 69 -0.453 16.635 -1.306 1.00 63.23 N ATOM 1075 CA ARG A 69 0.282 16.509 -0.043 1.00 34.41 C ATOM 1076 C ARG A 69 0.260 15.062 0.461 1.00 12.25 C ATOM 1077 O ARG A 69 1.255 14.552 0.981 1.00 24.24 O ATOM 1078 CB ARG A 69 -0.316 17.444 1.015 1.00 34.14 C ATOM 1079 CG ARG A 69 -0.226 18.922 0.647 1.00 50.33 C ATOM 1080 CD ARG A 69 -0.831 19.816 1.725 1.00 13.25 C ATOM 1081 NE ARG A 69 -0.205 19.610 3.030 1.00 11.41 N ATOM 1082 CZ ARG A 69 -0.276 20.453 4.023 1.00 21.22 C ATOM 1083 NH1 ARG A 69 -0.889 21.585 3.893 1.00 54.42 N ATOM 1084 NH2 ARG A 69 0.279 20.157 5.148 1.00 2.20 N ATOM 0 H ARG A 69 -1.287 17.219 -1.249 1.00 63.23 H new ATOM 0 HA ARG A 69 1.319 16.794 -0.224 1.00 34.41 H new ATOM 0 HB2 ARG A 69 -1.362 17.180 1.171 1.00 34.14 H new ATOM 0 HB3 ARG A 69 0.198 17.282 1.962 1.00 34.14 H new ATOM 0 HG2 ARG A 69 0.818 19.195 0.493 1.00 50.33 H new ATOM 0 HG3 ARG A 69 -0.742 19.093 -0.298 1.00 50.33 H new ATOM 0 HD2 ARG A 69 -0.721 20.860 1.432 1.00 13.25 H new ATOM 0 HD3 ARG A 69 -1.900 19.617 1.801 1.00 13.25 H new ATOM 0 HE ARG A 69 0.323 18.749 3.174 1.00 11.41 H new ATOM 0 HH11 ARG A 69 -1.326 21.829 3.004 1.00 54.42 H new ATOM 0 HH12 ARG A 69 -0.935 22.233 4.679 1.00 54.42 H new ATOM 0 HH21 ARG A 69 0.769 19.269 5.257 1.00 2.20 H new ATOM 0 HH22 ARG A 69 0.228 20.811 5.929 1.00 2.20 H new ATOM 1098 N ASP A 70 -0.884 14.405 0.294 1.00 44.12 N ATOM 1099 CA ASP A 70 -1.033 12.997 0.664 1.00 71.43 C ATOM 1100 C ASP A 70 -0.054 12.106 -0.125 1.00 23.25 C ATOM 1101 O ASP A 70 0.400 11.071 0.370 1.00 21.21 O ATOM 1102 CB ASP A 70 -2.480 12.552 0.419 1.00 72.32 C ATOM 1103 CG ASP A 70 -3.479 13.350 1.240 1.00 31.45 C ATOM 1104 OD1 ASP A 70 -3.759 14.511 0.874 1.00 45.51 O ATOM 1105 OD2 ASP A 70 -3.988 12.822 2.252 1.00 54.22 O ATOM 0 H ASP A 70 -1.727 14.826 -0.097 1.00 44.12 H new ATOM 0 HA ASP A 70 -0.797 12.890 1.723 1.00 71.43 H new ATOM 0 HB2 ASP A 70 -2.716 12.660 -0.640 1.00 72.32 H new ATOM 0 HB3 ASP A 70 -2.578 11.494 0.661 1.00 72.32 H new ATOM 1110 N LEU A 71 0.278 12.528 -1.346 1.00 64.43 N ATOM 1111 CA LEU A 71 1.209 11.786 -2.207 1.00 61.54 C ATOM 1112 C LEU A 71 2.622 11.774 -1.600 1.00 73.22 C ATOM 1113 O LEU A 71 3.179 10.707 -1.319 1.00 52.25 O ATOM 1114 CB LEU A 71 1.216 12.407 -3.623 1.00 71.23 C ATOM 1115 CG LEU A 71 1.944 11.607 -4.732 1.00 3.33 C ATOM 1116 CD1 LEU A 71 1.519 12.101 -6.114 1.00 2.12 C ATOM 1117 CD2 LEU A 71 3.465 11.698 -4.594 1.00 21.21 C ATOM 0 H LEU A 71 -0.085 13.384 -1.765 1.00 64.43 H new ATOM 0 HA LEU A 71 0.875 10.751 -2.282 1.00 61.54 H new ATOM 0 HB2 LEU A 71 0.182 12.555 -3.934 1.00 71.23 H new ATOM 0 HB3 LEU A 71 1.674 13.394 -3.559 1.00 71.23 H new ATOM 0 HG LEU A 71 1.658 10.561 -4.618 1.00 3.33 H new ATOM 0 HD11 LEU A 71 2.040 11.528 -6.881 1.00 2.12 H new ATOM 0 HD12 LEU A 71 0.443 11.971 -6.232 1.00 2.12 H new ATOM 0 HD13 LEU A 71 1.770 13.157 -6.216 1.00 2.12 H new ATOM 0 HD21 LEU A 71 3.938 11.124 -5.391 1.00 21.21 H new ATOM 0 HD22 LEU A 71 3.775 12.741 -4.665 1.00 21.21 H new ATOM 0 HD23 LEU A 71 3.767 11.295 -3.628 1.00 21.21 H new ATOM 1129 N ASP A 72 3.201 12.958 -1.387 1.00 72.43 N ATOM 1130 CA ASP A 72 4.556 13.048 -0.840 1.00 2.22 C ATOM 1131 C ASP A 72 4.601 12.596 0.630 1.00 2.13 C ATOM 1132 O ASP A 72 5.659 12.225 1.135 1.00 22.51 O ATOM 1133 CB ASP A 72 5.131 14.463 -1.004 1.00 55.31 C ATOM 1134 CG ASP A 72 4.313 15.530 -0.300 1.00 1.25 C ATOM 1135 OD1 ASP A 72 4.509 15.726 0.917 1.00 63.01 O ATOM 1136 OD2 ASP A 72 3.490 16.191 -0.968 1.00 5.40 O ATOM 0 H ASP A 72 2.759 13.857 -1.582 1.00 72.43 H new ATOM 0 HA ASP A 72 5.185 12.366 -1.412 1.00 2.22 H new ATOM 0 HB2 ASP A 72 6.149 14.481 -0.616 1.00 55.31 H new ATOM 0 HB3 ASP A 72 5.190 14.702 -2.066 1.00 55.31 H new ATOM 1141 N ARG A 73 3.456 12.626 1.316 1.00 55.12 N ATOM 1142 CA ARG A 73 3.356 12.055 2.666 1.00 61.55 C ATOM 1143 C ARG A 73 3.645 10.547 2.630 1.00 22.31 C ATOM 1144 O ARG A 73 4.487 10.043 3.375 1.00 54.23 O ATOM 1145 CB ARG A 73 1.958 12.285 3.255 1.00 4.41 C ATOM 1146 CG ARG A 73 1.842 11.919 4.734 1.00 55.25 C ATOM 1147 CD ARG A 73 0.389 11.902 5.196 1.00 12.23 C ATOM 1148 NE ARG A 73 -0.296 13.169 4.942 1.00 14.31 N ATOM 1149 CZ ARG A 73 -1.490 13.264 4.418 1.00 31.30 C ATOM 1150 NH1 ARG A 73 -2.153 12.200 4.088 1.00 31.35 N ATOM 1151 NH2 ARG A 73 -2.031 14.423 4.231 1.00 11.14 N ATOM 0 H ARG A 73 2.590 13.035 0.965 1.00 55.12 H new ATOM 0 HA ARG A 73 4.093 12.554 3.295 1.00 61.55 H new ATOM 0 HB2 ARG A 73 1.689 13.334 3.128 1.00 4.41 H new ATOM 0 HB3 ARG A 73 1.235 11.699 2.688 1.00 4.41 H new ATOM 0 HG2 ARG A 73 2.290 10.940 4.903 1.00 55.25 H new ATOM 0 HG3 ARG A 73 2.406 12.635 5.332 1.00 55.25 H new ATOM 0 HD2 ARG A 73 -0.141 11.098 4.686 1.00 12.23 H new ATOM 0 HD3 ARG A 73 0.353 11.681 6.263 1.00 12.23 H new ATOM 0 HE ARG A 73 0.188 14.032 5.189 1.00 14.31 H new ATOM 0 HH11 ARG A 73 -1.744 11.278 4.237 1.00 31.35 H new ATOM 0 HH12 ARG A 73 -3.084 12.285 3.680 1.00 31.35 H new ATOM 0 HH21 ARG A 73 -1.526 15.270 4.493 1.00 11.14 H new ATOM 0 HH22 ARG A 73 -2.963 14.491 3.822 1.00 11.14 H new ATOM 1165 N GLN A 74 2.938 9.834 1.749 1.00 50.14 N ATOM 1166 CA GLN A 74 3.142 8.393 1.582 1.00 42.24 C ATOM 1167 C GLN A 74 4.582 8.096 1.141 1.00 43.04 C ATOM 1168 O GLN A 74 5.200 7.134 1.598 1.00 72.14 O ATOM 1169 CB GLN A 74 2.148 7.819 0.558 1.00 61.15 C ATOM 1170 CG GLN A 74 2.183 6.296 0.467 1.00 43.21 C ATOM 1171 CD GLN A 74 1.154 5.719 -0.493 1.00 64.35 C ATOM 1172 OE1 GLN A 74 0.100 6.300 -0.725 1.00 41.11 O ATOM 1173 NE2 GLN A 74 1.442 4.554 -1.039 1.00 44.35 N ATOM 0 H GLN A 74 2.221 10.230 1.142 1.00 50.14 H new ATOM 0 HA GLN A 74 2.967 7.914 2.545 1.00 42.24 H new ATOM 0 HB2 GLN A 74 1.140 8.137 0.824 1.00 61.15 H new ATOM 0 HB3 GLN A 74 2.366 8.239 -0.424 1.00 61.15 H new ATOM 0 HG2 GLN A 74 3.178 5.982 0.151 1.00 43.21 H new ATOM 0 HG3 GLN A 74 2.016 5.877 1.459 1.00 43.21 H new ATOM 0 HE21 GLN A 74 2.328 4.096 -0.826 1.00 44.35 H new ATOM 0 HE22 GLN A 74 0.779 4.111 -1.675 1.00 44.35 H new ATOM 1182 N LYS A 75 5.111 8.943 0.255 1.00 33.44 N ATOM 1183 CA LYS A 75 6.502 8.830 -0.194 1.00 54.50 C ATOM 1184 C LYS A 75 7.477 8.904 0.991 1.00 5.30 C ATOM 1185 O LYS A 75 8.316 8.024 1.165 1.00 62.11 O ATOM 1186 CB LYS A 75 6.821 9.939 -1.206 1.00 52.02 C ATOM 1187 CG LYS A 75 8.259 9.915 -1.715 1.00 62.43 C ATOM 1188 CD LYS A 75 8.544 11.080 -2.657 1.00 42.12 C ATOM 1189 CE LYS A 75 9.997 11.103 -3.117 1.00 20.31 C ATOM 1190 NZ LYS A 75 10.301 12.322 -3.911 1.00 10.43 N ATOM 0 H LYS A 75 4.597 9.716 -0.167 1.00 33.44 H new ATOM 0 HA LYS A 75 6.624 7.859 -0.673 1.00 54.50 H new ATOM 0 HB2 LYS A 75 6.144 9.849 -2.055 1.00 52.02 H new ATOM 0 HB3 LYS A 75 6.625 10.907 -0.744 1.00 52.02 H new ATOM 0 HG2 LYS A 75 8.945 9.955 -0.869 1.00 62.43 H new ATOM 0 HG3 LYS A 75 8.446 8.974 -2.233 1.00 62.43 H new ATOM 0 HD2 LYS A 75 7.890 11.011 -3.526 1.00 42.12 H new ATOM 0 HD3 LYS A 75 8.308 12.018 -2.154 1.00 42.12 H new ATOM 0 HE2 LYS A 75 10.655 11.060 -2.249 1.00 20.31 H new ATOM 0 HE3 LYS A 75 10.203 10.217 -3.717 1.00 20.31 H new ATOM 0 HZ1 LYS A 75 11.298 12.304 -4.207 1.00 10.43 H new ATOM 0 HZ2 LYS A 75 9.690 12.349 -4.752 1.00 10.43 H new ATOM 0 HZ3 LYS A 75 10.128 13.167 -3.330 1.00 10.43 H new ATOM 1204 N GLN A 76 7.349 9.953 1.805 1.00 70.25 N ATOM 1205 CA GLN A 76 8.202 10.132 2.992 1.00 0.11 C ATOM 1206 C GLN A 76 8.130 8.912 3.925 1.00 1.25 C ATOM 1207 O GLN A 76 9.140 8.488 4.495 1.00 44.43 O ATOM 1208 CB GLN A 76 7.793 11.409 3.744 1.00 43.24 C ATOM 1209 CG GLN A 76 8.098 12.694 2.976 1.00 2.42 C ATOM 1210 CD GLN A 76 7.519 13.936 3.634 1.00 52.14 C ATOM 1211 OE1 GLN A 76 8.150 14.564 4.480 1.00 63.22 O ATOM 1212 NE2 GLN A 76 6.313 14.310 3.248 1.00 4.23 N ATOM 0 H GLN A 76 6.663 10.695 1.668 1.00 70.25 H new ATOM 0 HA GLN A 76 9.234 10.230 2.656 1.00 0.11 H new ATOM 0 HB2 GLN A 76 6.725 11.368 3.958 1.00 43.24 H new ATOM 0 HB3 GLN A 76 8.310 11.437 4.703 1.00 43.24 H new ATOM 0 HG2 GLN A 76 9.178 12.808 2.886 1.00 2.42 H new ATOM 0 HG3 GLN A 76 7.701 12.608 1.964 1.00 2.42 H new ATOM 0 HE21 GLN A 76 5.812 13.769 2.543 1.00 4.23 H new ATOM 0 HE22 GLN A 76 5.882 15.140 3.655 1.00 4.23 H new ATOM 1221 N LYS A 77 6.929 8.357 4.075 1.00 64.44 N ATOM 1222 CA LYS A 77 6.735 7.107 4.820 1.00 24.42 C ATOM 1223 C LYS A 77 7.560 5.959 4.215 1.00 42.25 C ATOM 1224 O LYS A 77 8.264 5.243 4.926 1.00 44.05 O ATOM 1225 CB LYS A 77 5.246 6.725 4.839 1.00 53.21 C ATOM 1226 CG LYS A 77 4.402 7.534 5.820 1.00 4.14 C ATOM 1227 CD LYS A 77 4.826 7.261 7.260 1.00 75.54 C ATOM 1228 CE LYS A 77 3.921 7.945 8.277 1.00 70.40 C ATOM 1229 NZ LYS A 77 4.344 7.645 9.671 1.00 41.34 N ATOM 0 H LYS A 77 6.071 8.752 3.690 1.00 64.44 H new ATOM 0 HA LYS A 77 7.080 7.272 5.841 1.00 24.42 H new ATOM 0 HB2 LYS A 77 4.838 6.852 3.836 1.00 53.21 H new ATOM 0 HB3 LYS A 77 5.157 5.668 5.088 1.00 53.21 H new ATOM 0 HG2 LYS A 77 4.504 8.597 5.602 1.00 4.14 H new ATOM 0 HG3 LYS A 77 3.349 7.282 5.693 1.00 4.14 H new ATOM 0 HD2 LYS A 77 4.820 6.186 7.439 1.00 75.54 H new ATOM 0 HD3 LYS A 77 5.851 7.602 7.404 1.00 75.54 H new ATOM 0 HE2 LYS A 77 3.938 9.023 8.114 1.00 70.40 H new ATOM 0 HE3 LYS A 77 2.892 7.617 8.129 1.00 70.40 H new ATOM 0 HZ1 LYS A 77 3.707 8.126 10.338 1.00 41.34 H new ATOM 0 HZ2 LYS A 77 4.304 6.618 9.833 1.00 41.34 H new ATOM 0 HZ3 LYS A 77 5.317 7.981 9.818 1.00 41.34 H new ATOM 1243 N LEU A 78 7.469 5.800 2.898 1.00 25.41 N ATOM 1244 CA LEU A 78 8.178 4.732 2.184 1.00 3.53 C ATOM 1245 C LEU A 78 9.704 4.922 2.234 1.00 23.42 C ATOM 1246 O LEU A 78 10.457 3.957 2.397 1.00 13.51 O ATOM 1247 CB LEU A 78 7.697 4.682 0.731 1.00 72.05 C ATOM 1248 CG LEU A 78 6.212 4.321 0.553 1.00 61.21 C ATOM 1249 CD1 LEU A 78 5.772 4.526 -0.891 1.00 0.24 C ATOM 1250 CD2 LEU A 78 5.955 2.883 0.997 1.00 35.42 C ATOM 0 H LEU A 78 6.907 6.401 2.295 1.00 25.41 H new ATOM 0 HA LEU A 78 7.954 3.788 2.680 1.00 3.53 H new ATOM 0 HB2 LEU A 78 7.878 5.653 0.270 1.00 72.05 H new ATOM 0 HB3 LEU A 78 8.300 3.954 0.188 1.00 72.05 H new ATOM 0 HG LEU A 78 5.621 4.987 1.182 1.00 61.21 H new ATOM 0 HD11 LEU A 78 4.719 4.264 -0.991 1.00 0.24 H new ATOM 0 HD12 LEU A 78 5.914 5.570 -1.170 1.00 0.24 H new ATOM 0 HD13 LEU A 78 6.368 3.891 -1.547 1.00 0.24 H new ATOM 0 HD21 LEU A 78 4.900 2.644 0.864 1.00 35.42 H new ATOM 0 HD22 LEU A 78 6.559 2.203 0.396 1.00 35.42 H new ATOM 0 HD23 LEU A 78 6.222 2.773 2.048 1.00 35.42 H new ATOM 1262 N GLU A 79 10.159 6.166 2.102 1.00 73.34 N ATOM 1263 CA GLU A 79 11.589 6.477 2.182 1.00 24.14 C ATOM 1264 C GLU A 79 12.141 6.163 3.581 1.00 45.11 C ATOM 1265 O GLU A 79 13.329 5.874 3.744 1.00 64.25 O ATOM 1266 CB GLU A 79 11.841 7.949 1.818 1.00 65.44 C ATOM 1267 CG GLU A 79 11.364 8.318 0.416 1.00 73.22 C ATOM 1268 CD GLU A 79 11.739 9.736 0.021 1.00 35.13 C ATOM 1269 OE1 GLU A 79 11.127 10.690 0.546 1.00 13.10 O ATOM 1270 OE2 GLU A 79 12.653 9.905 -0.814 1.00 61.23 O ATOM 0 H GLU A 79 9.561 6.976 1.939 1.00 73.34 H new ATOM 0 HA GLU A 79 12.114 5.849 1.463 1.00 24.14 H new ATOM 0 HB2 GLU A 79 11.337 8.586 2.544 1.00 65.44 H new ATOM 0 HB3 GLU A 79 12.908 8.157 1.897 1.00 65.44 H new ATOM 0 HG2 GLU A 79 11.792 7.620 -0.304 1.00 73.22 H new ATOM 0 HG3 GLU A 79 10.281 8.206 0.364 1.00 73.22 H new ATOM 1277 N ALA A 80 11.265 6.215 4.586 1.00 42.00 N ATOM 1278 CA ALA A 80 11.622 5.824 5.956 1.00 22.42 C ATOM 1279 C ALA A 80 11.727 4.296 6.099 1.00 52.14 C ATOM 1280 O ALA A 80 12.266 3.787 7.085 1.00 4.02 O ATOM 1281 CB ALA A 80 10.596 6.373 6.943 1.00 5.12 C ATOM 0 H ALA A 80 10.299 6.525 4.479 1.00 42.00 H new ATOM 0 HA ALA A 80 12.601 6.248 6.179 1.00 22.42 H new ATOM 0 HB1 ALA A 80 10.871 6.077 7.955 1.00 5.12 H new ATOM 0 HB2 ALA A 80 10.573 7.461 6.877 1.00 5.12 H new ATOM 0 HB3 ALA A 80 9.610 5.974 6.703 1.00 5.12 H new ATOM 1287 N GLU A 81 11.207 3.568 5.111 1.00 74.13 N ATOM 1288 CA GLU A 81 11.222 2.098 5.128 1.00 43.55 C ATOM 1289 C GLU A 81 12.298 1.525 4.188 1.00 44.20 C ATOM 1290 O GLU A 81 12.337 0.320 3.943 1.00 20.33 O ATOM 1291 CB GLU A 81 9.843 1.556 4.724 1.00 74.24 C ATOM 1292 CG GLU A 81 8.685 2.134 5.531 1.00 32.23 C ATOM 1293 CD GLU A 81 8.843 1.933 7.029 1.00 55.35 C ATOM 1294 OE1 GLU A 81 8.651 0.799 7.505 1.00 21.11 O ATOM 1295 OE2 GLU A 81 9.180 2.903 7.742 1.00 70.41 O ATOM 0 H GLU A 81 10.767 3.971 4.283 1.00 74.13 H new ATOM 0 HA GLU A 81 11.462 1.783 6.143 1.00 43.55 H new ATOM 0 HB2 GLU A 81 9.677 1.768 3.668 1.00 74.24 H new ATOM 0 HB3 GLU A 81 9.844 0.472 4.836 1.00 74.24 H new ATOM 0 HG2 GLU A 81 8.600 3.200 5.321 1.00 32.23 H new ATOM 0 HG3 GLU A 81 7.755 1.669 5.204 1.00 32.23 H new ATOM 1302 N GLY A 82 13.172 2.389 3.674 1.00 51.52 N ATOM 1303 CA GLY A 82 14.223 1.945 2.758 1.00 12.43 C ATOM 1304 C GLY A 82 13.740 1.757 1.320 1.00 11.23 C ATOM 1305 O GLY A 82 14.255 0.911 0.583 1.00 51.12 O ATOM 0 H GLY A 82 13.175 3.389 3.873 1.00 51.52 H new ATOM 0 HA2 GLY A 82 15.034 2.673 2.768 1.00 12.43 H new ATOM 0 HA3 GLY A 82 14.636 1.003 3.120 1.00 12.43 H new ATOM 1309 N ILE A 83 12.745 2.543 0.918 1.00 60.33 N ATOM 1310 CA ILE A 83 12.203 2.479 -0.445 1.00 21.31 C ATOM 1311 C ILE A 83 12.526 3.758 -1.238 1.00 74.05 C ATOM 1312 O ILE A 83 12.468 4.866 -0.703 1.00 52.14 O ATOM 1313 CB ILE A 83 10.666 2.259 -0.415 1.00 74.13 C ATOM 1314 CG1 ILE A 83 10.335 0.957 0.337 1.00 21.12 C ATOM 1315 CG2 ILE A 83 10.084 2.235 -1.832 1.00 13.31 C ATOM 1316 CD1 ILE A 83 8.851 0.682 0.478 1.00 42.41 C ATOM 0 H ILE A 83 12.293 3.235 1.516 1.00 60.33 H new ATOM 0 HA ILE A 83 12.677 1.634 -0.944 1.00 21.31 H new ATOM 0 HB ILE A 83 10.208 3.094 0.114 1.00 74.13 H new ATOM 0 HG12 ILE A 83 10.800 0.121 -0.185 1.00 21.12 H new ATOM 0 HG13 ILE A 83 10.781 1.001 1.331 1.00 21.12 H new ATOM 0 HG21 ILE A 83 9.006 2.079 -1.780 1.00 13.31 H new ATOM 0 HG22 ILE A 83 10.290 3.184 -2.326 1.00 13.31 H new ATOM 0 HG23 ILE A 83 10.541 1.424 -2.399 1.00 13.31 H new ATOM 0 HD11 ILE A 83 8.704 -0.253 1.019 1.00 42.41 H new ATOM 0 HD12 ILE A 83 8.380 1.497 1.028 1.00 42.41 H new ATOM 0 HD13 ILE A 83 8.400 0.603 -0.511 1.00 42.41 H new ATOM 1328 N GLU A 84 12.894 3.596 -2.509 1.00 13.52 N ATOM 1329 CA GLU A 84 13.134 4.737 -3.401 1.00 64.31 C ATOM 1330 C GLU A 84 11.923 4.975 -4.316 1.00 31.23 C ATOM 1331 O GLU A 84 11.596 4.139 -5.162 1.00 4.14 O ATOM 1332 CB GLU A 84 14.392 4.496 -4.247 1.00 4.21 C ATOM 1333 CG GLU A 84 15.666 4.314 -3.428 1.00 25.34 C ATOM 1334 CD GLU A 84 16.862 3.924 -4.284 1.00 51.12 C ATOM 1335 OE1 GLU A 84 17.389 4.789 -5.016 1.00 73.33 O ATOM 1336 OE2 GLU A 84 17.279 2.750 -4.232 1.00 51.44 O ATOM 0 H GLU A 84 13.033 2.685 -2.947 1.00 13.52 H new ATOM 0 HA GLU A 84 13.285 5.625 -2.787 1.00 64.31 H new ATOM 0 HB2 GLU A 84 14.239 3.610 -4.863 1.00 4.21 H new ATOM 0 HB3 GLU A 84 14.527 5.337 -4.927 1.00 4.21 H new ATOM 0 HG2 GLU A 84 15.889 5.241 -2.900 1.00 25.34 H new ATOM 0 HG3 GLU A 84 15.500 3.547 -2.671 1.00 25.34 H new ATOM 1343 N VAL A 85 11.260 6.116 -4.136 1.00 32.12 N ATOM 1344 CA VAL A 85 10.063 6.463 -4.908 1.00 50.54 C ATOM 1345 C VAL A 85 10.362 7.572 -5.926 1.00 25.44 C ATOM 1346 O VAL A 85 10.956 8.597 -5.584 1.00 20.10 O ATOM 1347 CB VAL A 85 8.920 6.929 -3.970 1.00 73.24 C ATOM 1348 CG1 VAL A 85 7.673 7.314 -4.766 1.00 2.43 C ATOM 1349 CG2 VAL A 85 8.595 5.850 -2.936 1.00 72.34 C ATOM 0 H VAL A 85 11.534 6.824 -3.455 1.00 32.12 H new ATOM 0 HA VAL A 85 9.750 5.566 -5.442 1.00 50.54 H new ATOM 0 HB VAL A 85 9.263 7.818 -3.440 1.00 73.24 H new ATOM 0 HG11 VAL A 85 6.889 7.636 -4.081 1.00 2.43 H new ATOM 0 HG12 VAL A 85 7.915 8.128 -5.450 1.00 2.43 H new ATOM 0 HG13 VAL A 85 7.325 6.453 -5.336 1.00 2.43 H new ATOM 0 HG21 VAL A 85 7.790 6.198 -2.288 1.00 72.34 H new ATOM 0 HG22 VAL A 85 8.282 4.939 -3.447 1.00 72.34 H new ATOM 0 HG23 VAL A 85 9.481 5.643 -2.335 1.00 72.34 H new ATOM 1359 N SER A 86 9.943 7.368 -7.176 1.00 62.44 N ATOM 1360 CA SER A 86 10.164 8.365 -8.236 1.00 11.04 C ATOM 1361 C SER A 86 9.222 9.569 -8.079 1.00 43.33 C ATOM 1362 O SER A 86 8.076 9.425 -7.636 1.00 52.24 O ATOM 1363 CB SER A 86 10.007 7.734 -9.627 1.00 25.22 C ATOM 1364 OG SER A 86 8.788 7.026 -9.745 1.00 32.13 O ATOM 0 H SER A 86 9.451 6.528 -7.482 1.00 62.44 H new ATOM 0 HA SER A 86 11.188 8.726 -8.137 1.00 11.04 H new ATOM 0 HB2 SER A 86 10.050 8.514 -10.387 1.00 25.22 H new ATOM 0 HB3 SER A 86 10.841 7.058 -9.816 1.00 25.22 H new ATOM 0 HG SER A 86 8.714 6.378 -9.013 1.00 32.13 H new ATOM 1370 N GLU A 87 9.719 10.741 -8.488 1.00 1.54 N ATOM 1371 CA GLU A 87 9.107 12.050 -8.175 1.00 71.30 C ATOM 1372 C GLU A 87 7.568 12.095 -8.301 1.00 73.45 C ATOM 1373 O GLU A 87 6.881 12.476 -7.353 1.00 34.42 O ATOM 1374 CB GLU A 87 9.738 13.139 -9.057 1.00 23.34 C ATOM 1375 CG GLU A 87 9.593 12.894 -10.556 1.00 14.21 C ATOM 1376 CD GLU A 87 10.199 14.008 -11.392 1.00 42.21 C ATOM 1377 OE1 GLU A 87 9.550 15.064 -11.545 1.00 32.50 O ATOM 1378 OE2 GLU A 87 11.330 13.842 -11.890 1.00 74.30 O ATOM 0 H GLU A 87 10.566 10.815 -9.052 1.00 1.54 H new ATOM 0 HA GLU A 87 9.316 12.230 -7.120 1.00 71.30 H new ATOM 0 HB2 GLU A 87 9.282 14.098 -8.812 1.00 23.34 H new ATOM 0 HB3 GLU A 87 10.798 13.218 -8.814 1.00 23.34 H new ATOM 0 HG2 GLU A 87 10.072 11.950 -10.814 1.00 14.21 H new ATOM 0 HG3 GLU A 87 8.536 12.793 -10.803 1.00 14.21 H new ATOM 1385 N ILE A 88 7.025 11.703 -9.451 1.00 72.04 N ATOM 1386 CA ILE A 88 5.575 11.814 -9.694 1.00 70.01 C ATOM 1387 C ILE A 88 4.754 10.765 -8.914 1.00 51.51 C ATOM 1388 O ILE A 88 3.558 10.589 -9.154 1.00 61.43 O ATOM 1389 CB ILE A 88 5.249 11.753 -11.219 1.00 75.13 C ATOM 1390 CG1 ILE A 88 5.869 10.508 -11.895 1.00 23.55 C ATOM 1391 CG2 ILE A 88 5.731 13.029 -11.911 1.00 20.25 C ATOM 1392 CD1 ILE A 88 5.099 9.221 -11.673 1.00 40.14 C ATOM 0 H ILE A 88 7.555 11.308 -10.228 1.00 72.04 H new ATOM 0 HA ILE A 88 5.276 12.792 -9.316 1.00 70.01 H new ATOM 0 HB ILE A 88 4.167 11.673 -11.321 1.00 75.13 H new ATOM 0 HG12 ILE A 88 5.943 10.692 -12.967 1.00 23.55 H new ATOM 0 HG13 ILE A 88 6.885 10.377 -11.523 1.00 23.55 H new ATOM 0 HG21 ILE A 88 5.499 12.976 -12.975 1.00 20.25 H new ATOM 0 HG22 ILE A 88 5.230 13.892 -11.473 1.00 20.25 H new ATOM 0 HG23 ILE A 88 6.808 13.129 -11.780 1.00 20.25 H new ATOM 0 HD11 ILE A 88 5.606 8.401 -12.182 1.00 40.14 H new ATOM 0 HD12 ILE A 88 5.047 9.008 -10.605 1.00 40.14 H new ATOM 0 HD13 ILE A 88 4.090 9.327 -12.071 1.00 40.14 H new ATOM 1404 N GLY A 89 5.400 10.085 -7.965 1.00 52.23 N ATOM 1405 CA GLY A 89 4.714 9.106 -7.131 1.00 4.42 C ATOM 1406 C GLY A 89 4.599 7.738 -7.787 1.00 71.35 C ATOM 1407 O GLY A 89 3.515 7.157 -7.843 1.00 44.53 O ATOM 0 H GLY A 89 6.393 10.196 -7.758 1.00 52.23 H new ATOM 0 HA2 GLY A 89 5.248 9.005 -6.186 1.00 4.42 H new ATOM 0 HA3 GLY A 89 3.716 9.474 -6.896 1.00 4.42 H new ATOM 1411 N LYS A 90 5.718 7.211 -8.279 1.00 1.43 N ATOM 1412 CA LYS A 90 5.724 5.896 -8.940 1.00 21.43 C ATOM 1413 C LYS A 90 6.714 4.945 -8.240 1.00 64.51 C ATOM 1414 O LYS A 90 7.812 5.349 -7.853 1.00 53.25 O ATOM 1415 CB LYS A 90 6.071 6.066 -10.434 1.00 64.21 C ATOM 1416 CG LYS A 90 5.622 4.922 -11.351 1.00 31.43 C ATOM 1417 CD LYS A 90 6.479 3.668 -11.199 1.00 52.33 C ATOM 1418 CE LYS A 90 6.045 2.565 -12.156 1.00 61.43 C ATOM 1419 NZ LYS A 90 4.615 2.203 -11.970 1.00 62.03 N ATOM 0 H LYS A 90 6.630 7.666 -8.236 1.00 1.43 H new ATOM 0 HA LYS A 90 4.731 5.452 -8.866 1.00 21.43 H new ATOM 0 HB2 LYS A 90 5.620 6.992 -10.790 1.00 64.21 H new ATOM 0 HB3 LYS A 90 7.151 6.181 -10.527 1.00 64.21 H new ATOM 0 HG2 LYS A 90 4.583 4.675 -11.133 1.00 31.43 H new ATOM 0 HG3 LYS A 90 5.659 5.258 -12.387 1.00 31.43 H new ATOM 0 HD2 LYS A 90 7.524 3.918 -11.383 1.00 52.33 H new ATOM 0 HD3 LYS A 90 6.413 3.305 -10.173 1.00 52.33 H new ATOM 0 HE2 LYS A 90 6.207 2.891 -13.183 1.00 61.43 H new ATOM 0 HE3 LYS A 90 6.666 1.683 -12.000 1.00 61.43 H new ATOM 0 HZ1 LYS A 90 4.524 1.169 -11.911 1.00 62.03 H new ATOM 0 HZ2 LYS A 90 4.260 2.633 -11.092 1.00 62.03 H new ATOM 0 HZ3 LYS A 90 4.060 2.554 -12.777 1.00 62.03 H new ATOM 1433 N ILE A 91 6.308 3.687 -8.070 1.00 1.43 N ATOM 1434 CA ILE A 91 7.138 2.678 -7.399 1.00 43.42 C ATOM 1435 C ILE A 91 7.422 1.477 -8.322 1.00 51.05 C ATOM 1436 O ILE A 91 6.511 0.936 -8.957 1.00 22.34 O ATOM 1437 CB ILE A 91 6.447 2.170 -6.104 1.00 22.44 C ATOM 1438 CG1 ILE A 91 6.136 3.347 -5.160 1.00 35.44 C ATOM 1439 CG2 ILE A 91 7.312 1.125 -5.399 1.00 62.53 C ATOM 1440 CD1 ILE A 91 5.368 2.946 -3.916 1.00 44.32 C ATOM 0 H ILE A 91 5.404 3.338 -8.389 1.00 1.43 H new ATOM 0 HA ILE A 91 8.083 3.158 -7.145 1.00 43.42 H new ATOM 0 HB ILE A 91 5.506 1.696 -6.383 1.00 22.44 H new ATOM 0 HG12 ILE A 91 7.072 3.819 -4.862 1.00 35.44 H new ATOM 0 HG13 ILE A 91 5.561 4.096 -5.705 1.00 35.44 H new ATOM 0 HG21 ILE A 91 6.807 0.784 -4.495 1.00 62.53 H new ATOM 0 HG22 ILE A 91 7.474 0.278 -6.065 1.00 62.53 H new ATOM 0 HG23 ILE A 91 8.272 1.567 -5.133 1.00 62.53 H new ATOM 0 HD11 ILE A 91 5.186 3.827 -3.301 1.00 44.32 H new ATOM 0 HD12 ILE A 91 4.415 2.502 -4.204 1.00 44.32 H new ATOM 0 HD13 ILE A 91 5.950 2.220 -3.348 1.00 44.32 H new ATOM 1452 N ALA A 92 8.687 1.065 -8.394 1.00 24.33 N ATOM 1453 CA ALA A 92 9.080 -0.097 -9.202 1.00 21.22 C ATOM 1454 C ALA A 92 8.667 -1.418 -8.527 1.00 53.12 C ATOM 1455 O ALA A 92 9.402 -1.964 -7.702 1.00 34.01 O ATOM 1456 CB ALA A 92 10.583 -0.076 -9.456 1.00 71.13 C ATOM 0 H ALA A 92 9.460 1.516 -7.904 1.00 24.33 H new ATOM 0 HA ALA A 92 8.557 -0.035 -10.156 1.00 21.22 H new ATOM 0 HB1 ALA A 92 10.863 -0.942 -10.056 1.00 71.13 H new ATOM 0 HB2 ALA A 92 10.849 0.836 -9.990 1.00 71.13 H new ATOM 0 HB3 ALA A 92 11.113 -0.107 -8.504 1.00 71.13 H new ATOM 1462 N LEU A 93 7.488 -1.928 -8.887 1.00 12.51 N ATOM 1463 CA LEU A 93 6.939 -3.144 -8.268 1.00 20.21 C ATOM 1464 C LEU A 93 7.926 -4.324 -8.281 1.00 3.11 C ATOM 1465 O LEU A 93 8.154 -4.943 -7.252 1.00 71.12 O ATOM 1466 CB LEU A 93 5.617 -3.540 -8.942 1.00 41.11 C ATOM 1467 CG LEU A 93 4.429 -2.610 -8.632 1.00 13.31 C ATOM 1468 CD1 LEU A 93 3.168 -3.069 -9.358 1.00 11.44 C ATOM 1469 CD2 LEU A 93 4.182 -2.537 -7.126 1.00 55.41 C ATOM 0 H LEU A 93 6.891 -1.519 -9.606 1.00 12.51 H new ATOM 0 HA LEU A 93 6.753 -2.905 -7.221 1.00 20.21 H new ATOM 0 HB2 LEU A 93 5.769 -3.565 -10.021 1.00 41.11 H new ATOM 0 HB3 LEU A 93 5.357 -4.553 -8.634 1.00 41.11 H new ATOM 0 HG LEU A 93 4.681 -1.612 -8.991 1.00 13.31 H new ATOM 0 HD11 LEU A 93 2.346 -2.394 -9.121 1.00 11.44 H new ATOM 0 HD12 LEU A 93 3.344 -3.062 -10.434 1.00 11.44 H new ATOM 0 HD13 LEU A 93 2.912 -4.079 -9.039 1.00 11.44 H new ATOM 0 HD21 LEU A 93 3.339 -1.875 -6.927 1.00 55.41 H new ATOM 0 HD22 LEU A 93 3.959 -3.534 -6.745 1.00 55.41 H new ATOM 0 HD23 LEU A 93 5.072 -2.150 -6.630 1.00 55.41 H new ATOM 1481 N ARG A 94 8.522 -4.624 -9.435 1.00 42.42 N ATOM 1482 CA ARG A 94 9.472 -5.750 -9.548 1.00 1.04 C ATOM 1483 C ARG A 94 10.549 -5.705 -8.444 1.00 71.53 C ATOM 1484 O ARG A 94 10.868 -6.721 -7.818 1.00 33.22 O ATOM 1485 CB ARG A 94 10.155 -5.727 -10.923 1.00 21.12 C ATOM 1486 CG ARG A 94 9.189 -5.722 -12.104 1.00 41.01 C ATOM 1487 CD ARG A 94 9.930 -5.539 -13.427 1.00 52.25 C ATOM 1488 NE ARG A 94 10.751 -4.327 -13.421 1.00 74.21 N ATOM 1489 CZ ARG A 94 11.562 -3.979 -14.383 1.00 13.05 C ATOM 1490 NH1 ARG A 94 11.670 -4.700 -15.453 1.00 75.33 N ATOM 1491 NH2 ARG A 94 12.265 -2.901 -14.269 1.00 2.11 N ATOM 0 H ARG A 94 8.371 -4.112 -10.304 1.00 42.42 H new ATOM 0 HA ARG A 94 8.901 -6.671 -9.430 1.00 1.04 H new ATOM 0 HB2 ARG A 94 10.791 -4.844 -10.985 1.00 21.12 H new ATOM 0 HB3 ARG A 94 10.808 -6.596 -11.006 1.00 21.12 H new ATOM 0 HG2 ARG A 94 8.631 -6.658 -12.124 1.00 41.01 H new ATOM 0 HG3 ARG A 94 8.462 -4.920 -11.978 1.00 41.01 H new ATOM 0 HD2 ARG A 94 10.563 -6.407 -13.614 1.00 52.25 H new ATOM 0 HD3 ARG A 94 9.210 -5.488 -14.244 1.00 52.25 H new ATOM 0 HE ARG A 94 10.685 -3.712 -12.610 1.00 74.21 H new ATOM 0 HH11 ARG A 94 11.117 -5.552 -15.552 1.00 75.33 H new ATOM 0 HH12 ARG A 94 12.308 -4.416 -16.197 1.00 75.33 H new ATOM 0 HH21 ARG A 94 12.185 -2.326 -13.430 1.00 2.11 H new ATOM 0 HH22 ARG A 94 12.900 -2.625 -15.018 1.00 2.11 H new ATOM 1505 N LYS A 95 11.091 -4.511 -8.214 1.00 34.11 N ATOM 1506 CA LYS A 95 12.142 -4.294 -7.210 1.00 45.25 C ATOM 1507 C LYS A 95 11.586 -4.281 -5.772 1.00 25.10 C ATOM 1508 O LYS A 95 12.249 -4.740 -4.837 1.00 2.24 O ATOM 1509 CB LYS A 95 12.865 -2.968 -7.519 1.00 44.20 C ATOM 1510 CG LYS A 95 13.694 -2.392 -6.366 1.00 33.00 C ATOM 1511 CD LYS A 95 14.852 -3.296 -5.948 1.00 63.31 C ATOM 1512 CE LYS A 95 15.613 -2.706 -4.765 1.00 43.12 C ATOM 1513 NZ LYS A 95 16.742 -3.572 -4.329 1.00 14.33 N ATOM 0 H LYS A 95 10.818 -3.665 -8.715 1.00 34.11 H new ATOM 0 HA LYS A 95 12.843 -5.127 -7.267 1.00 45.25 H new ATOM 0 HB2 LYS A 95 13.521 -3.122 -8.376 1.00 44.20 H new ATOM 0 HB3 LYS A 95 12.122 -2.228 -7.816 1.00 44.20 H new ATOM 0 HG2 LYS A 95 14.089 -1.420 -6.661 1.00 33.00 H new ATOM 0 HG3 LYS A 95 13.044 -2.225 -5.507 1.00 33.00 H new ATOM 0 HD2 LYS A 95 14.470 -4.282 -5.683 1.00 63.31 H new ATOM 0 HD3 LYS A 95 15.532 -3.433 -6.789 1.00 63.31 H new ATOM 0 HE2 LYS A 95 15.997 -1.723 -5.037 1.00 43.12 H new ATOM 0 HE3 LYS A 95 14.927 -2.561 -3.931 1.00 43.12 H new ATOM 0 HZ1 LYS A 95 17.228 -3.129 -3.523 1.00 14.33 H new ATOM 0 HZ2 LYS A 95 16.376 -4.502 -4.043 1.00 14.33 H new ATOM 0 HZ3 LYS A 95 17.412 -3.690 -5.115 1.00 14.33 H new ATOM 1527 N TYR A 96 10.370 -3.771 -5.594 1.00 54.54 N ATOM 1528 CA TYR A 96 9.815 -3.560 -4.250 1.00 24.33 C ATOM 1529 C TYR A 96 8.635 -4.490 -3.957 1.00 61.12 C ATOM 1530 O TYR A 96 7.902 -4.281 -2.997 1.00 45.24 O ATOM 1531 CB TYR A 96 9.372 -2.101 -4.084 1.00 0.12 C ATOM 1532 CG TYR A 96 10.494 -1.101 -4.286 1.00 73.01 C ATOM 1533 CD1 TYR A 96 11.489 -0.942 -3.327 1.00 0.45 C ATOM 1534 CD2 TYR A 96 10.557 -0.318 -5.435 1.00 34.53 C ATOM 1535 CE1 TYR A 96 12.512 -0.033 -3.510 1.00 32.22 C ATOM 1536 CE2 TYR A 96 11.577 0.590 -5.622 1.00 43.05 C ATOM 1537 CZ TYR A 96 12.550 0.730 -4.659 1.00 21.42 C ATOM 1538 OH TYR A 96 13.565 1.634 -4.847 1.00 64.22 O ATOM 0 H TYR A 96 9.749 -3.496 -6.355 1.00 54.54 H new ATOM 0 HA TYR A 96 10.606 -3.792 -3.537 1.00 24.33 H new ATOM 0 HB2 TYR A 96 8.574 -1.889 -4.796 1.00 0.12 H new ATOM 0 HB3 TYR A 96 8.953 -1.968 -3.087 1.00 0.12 H new ATOM 0 HD1 TYR A 96 11.461 -1.538 -2.427 1.00 0.45 H new ATOM 0 HD2 TYR A 96 9.794 -0.424 -6.192 1.00 34.53 H new ATOM 0 HE1 TYR A 96 13.279 0.080 -2.758 1.00 32.22 H new ATOM 0 HE2 TYR A 96 11.612 1.189 -6.520 1.00 43.05 H new ATOM 0 HH TYR A 96 13.586 1.911 -5.787 1.00 64.22 H new ATOM 1548 N LYS A 97 8.461 -5.522 -4.769 1.00 24.10 N ATOM 1549 CA LYS A 97 7.330 -6.431 -4.616 1.00 1.43 C ATOM 1550 C LYS A 97 7.394 -7.209 -3.294 1.00 43.45 C ATOM 1551 O LYS A 97 8.427 -7.793 -2.946 1.00 13.45 O ATOM 1552 CB LYS A 97 7.275 -7.407 -5.793 1.00 12.42 C ATOM 1553 CG LYS A 97 5.989 -8.211 -5.841 1.00 44.33 C ATOM 1554 CD LYS A 97 5.937 -9.117 -7.063 1.00 44.45 C ATOM 1555 CE LYS A 97 4.692 -9.999 -7.057 1.00 20.54 C ATOM 1556 NZ LYS A 97 3.441 -9.194 -7.025 1.00 5.33 N ATOM 0 H LYS A 97 9.087 -5.753 -5.541 1.00 24.10 H new ATOM 0 HA LYS A 97 6.424 -5.826 -4.601 1.00 1.43 H new ATOM 0 HB2 LYS A 97 7.383 -6.850 -6.724 1.00 12.42 H new ATOM 0 HB3 LYS A 97 8.122 -8.091 -5.730 1.00 12.42 H new ATOM 0 HG2 LYS A 97 5.903 -8.814 -4.937 1.00 44.33 H new ATOM 0 HG3 LYS A 97 5.136 -7.533 -5.854 1.00 44.33 H new ATOM 0 HD2 LYS A 97 5.948 -8.509 -7.968 1.00 44.45 H new ATOM 0 HD3 LYS A 97 6.828 -9.745 -7.089 1.00 44.45 H new ATOM 0 HE2 LYS A 97 4.693 -10.634 -7.943 1.00 20.54 H new ATOM 0 HE3 LYS A 97 4.720 -10.661 -6.191 1.00 20.54 H new ATOM 0 HZ1 LYS A 97 2.722 -9.647 -7.624 1.00 5.33 H new ATOM 0 HZ2 LYS A 97 3.091 -9.136 -6.048 1.00 5.33 H new ATOM 0 HZ3 LYS A 97 3.635 -8.236 -7.381 1.00 5.33 H new ATOM 1570 N TRP A 98 6.287 -7.201 -2.560 1.00 33.31 N ATOM 1571 CA TRP A 98 6.172 -7.973 -1.326 1.00 33.13 C ATOM 1572 C TRP A 98 6.300 -9.478 -1.599 1.00 51.10 C ATOM 1573 O TRP A 98 5.451 -10.077 -2.258 1.00 73.23 O ATOM 1574 CB TRP A 98 4.831 -7.671 -0.637 1.00 41.44 C ATOM 1575 CG TRP A 98 4.557 -8.544 0.554 1.00 64.34 C ATOM 1576 CD1 TRP A 98 5.468 -9.000 1.463 1.00 44.54 C ATOM 1577 CD2 TRP A 98 3.288 -9.062 0.966 1.00 45.22 C ATOM 1578 NE1 TRP A 98 4.846 -9.770 2.410 1.00 73.01 N ATOM 1579 CE2 TRP A 98 3.507 -9.824 2.128 1.00 54.14 C ATOM 1580 CE3 TRP A 98 1.986 -8.957 0.465 1.00 52.42 C ATOM 1581 CZ2 TRP A 98 2.479 -10.475 2.795 1.00 45.11 C ATOM 1582 CZ3 TRP A 98 0.964 -9.603 1.132 1.00 63.42 C ATOM 1583 CH2 TRP A 98 1.217 -10.356 2.287 1.00 62.52 C ATOM 0 H TRP A 98 5.452 -6.666 -2.799 1.00 33.31 H new ATOM 0 HA TRP A 98 6.988 -7.680 -0.665 1.00 33.13 H new ATOM 0 HB2 TRP A 98 4.821 -6.628 -0.322 1.00 41.44 H new ATOM 0 HB3 TRP A 98 4.025 -7.794 -1.360 1.00 41.44 H new ATOM 0 HD1 TRP A 98 6.526 -8.785 1.439 1.00 44.54 H new ATOM 0 HE1 TRP A 98 5.305 -10.228 3.197 1.00 73.01 H new ATOM 0 HE3 TRP A 98 1.784 -8.382 -0.426 1.00 52.42 H new ATOM 0 HZ2 TRP A 98 2.670 -11.056 3.685 1.00 45.11 H new ATOM 0 HZ3 TRP A 98 -0.046 -9.527 0.758 1.00 63.42 H new ATOM 0 HH2 TRP A 98 0.397 -10.852 2.785 1.00 62.52 H new ATOM 1594 N GLN A 99 7.372 -10.081 -1.095 1.00 55.13 N ATOM 1595 CA GLN A 99 7.577 -11.526 -1.216 1.00 5.21 C ATOM 1596 C GLN A 99 7.503 -12.200 0.168 1.00 23.04 C ATOM 1597 O GLN A 99 8.506 -12.270 0.883 1.00 20.23 O ATOM 1598 CB GLN A 99 8.936 -11.815 -1.874 1.00 51.15 C ATOM 1599 CG GLN A 99 9.157 -11.090 -3.199 1.00 53.01 C ATOM 1600 CD GLN A 99 10.516 -11.389 -3.810 1.00 34.21 C ATOM 1601 OE1 GLN A 99 11.505 -10.718 -3.523 1.00 71.55 O ATOM 1602 NE2 GLN A 99 10.580 -12.391 -4.660 1.00 70.33 N ATOM 0 H GLN A 99 8.116 -9.592 -0.597 1.00 55.13 H new ATOM 0 HA GLN A 99 6.786 -11.937 -1.844 1.00 5.21 H new ATOM 0 HB2 GLN A 99 9.729 -11.533 -1.182 1.00 51.15 H new ATOM 0 HB3 GLN A 99 9.025 -12.888 -2.041 1.00 51.15 H new ATOM 0 HG2 GLN A 99 8.375 -11.379 -3.902 1.00 53.01 H new ATOM 0 HG3 GLN A 99 9.062 -10.016 -3.041 1.00 53.01 H new ATOM 0 HE21 GLN A 99 9.741 -12.929 -4.878 1.00 70.33 H new ATOM 0 HE22 GLN A 99 11.468 -12.630 -5.101 1.00 70.33 H new ATOM 1611 N PRO A 100 6.305 -12.682 0.576 1.00 72.42 N ATOM 1612 CA PRO A 100 6.109 -13.329 1.893 1.00 55.14 C ATOM 1613 C PRO A 100 6.936 -14.615 2.058 1.00 50.40 C ATOM 1614 O PRO A 100 7.224 -15.041 3.178 1.00 1.13 O ATOM 1615 CB PRO A 100 4.599 -13.638 1.920 1.00 14.12 C ATOM 1616 CG PRO A 100 4.184 -13.648 0.485 1.00 22.14 C ATOM 1617 CD PRO A 100 5.051 -12.626 -0.197 1.00 63.15 C ATOM 0 HA PRO A 100 6.440 -12.688 2.710 1.00 55.14 H new ATOM 0 HB2 PRO A 100 4.401 -14.599 2.396 1.00 14.12 H new ATOM 0 HB3 PRO A 100 4.051 -12.884 2.485 1.00 14.12 H new ATOM 0 HG2 PRO A 100 4.322 -14.635 0.044 1.00 22.14 H new ATOM 0 HG3 PRO A 100 3.128 -13.398 0.381 1.00 22.14 H new ATOM 0 HD2 PRO A 100 5.213 -12.871 -1.247 1.00 63.15 H new ATOM 0 HD3 PRO A 100 4.603 -11.633 -0.167 1.00 63.15 H new