USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 827 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 89 CYS SG : rot -75:sc= -3.39! USER MOD Set 1.2: A 100 SER OG : rot -163:sc=-0.00631 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 147:sc= 0.788 (180deg=0) USER MOD Set 2.2: A 80 GLN : amide:sc= 0.123 K(o=0.91,f=-2.5) USER MOD Single : A 9 MET CE :methyl -153:sc= -0.382 (180deg=-0.81) USER MOD Single : A 12 GLN : amide:sc= 0.611 K(o=0.61,f=-0.063) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 169:sc=-0.00313 (180deg=-0.128) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 1.09 (180deg=0.93) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= 0.0162 (180deg=-3.42!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0583) USER MOD Single : A 55 GLN : amide:sc= -1.96! K(o=-2!,f=-0.36) USER MOD Single : A 56 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-2.3) USER MOD Single : A 58 GLN : amide:sc= -2.38 K(o=-2.4,f=-1.6) USER MOD Single : A 60 HIS : no HE2:sc= 0.875 K(o=0.88,f=-3.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -1.58 USER MOD Single : A 67 SER OG : rot 141:sc= 1.26 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.811) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -0.46 K(o=-0.46,f=-2.5) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.947 USER MOD Single : A 87 TYR OH : rot 104:sc= -4.85! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -42:sc= -4.88! USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= -4.34! (180deg=-5.03!) USER MOD Single : A 96 LYS NZ :NH3+ 138:sc= 0.48 (180deg=0.00655) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -3.2! K(o=-3.2!,f=-0.18) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 105 THR OG1 : rot 172:sc= -0.15 USER MOD Single : A 107 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -18.991 -8.919 -1.435 1.00 0.70 N ATOM 14 CA ASP A 2 -20.103 -8.301 -2.123 1.00 0.72 C ATOM 15 C ASP A 2 -19.656 -7.534 -3.367 1.00 0.70 C ATOM 16 O ASP A 2 -18.461 -7.281 -3.540 1.00 0.75 O ATOM 17 CB ASP A 2 -20.754 -7.339 -1.159 1.00 0.79 C ATOM 18 CG ASP A 2 -21.726 -8.002 -0.217 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.831 -8.355 -0.673 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.387 -8.190 0.961 1.00 1.65 O ATOM 0 HA ASP A 2 -20.792 -9.079 -2.451 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -19.979 -6.839 -0.577 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.276 -6.567 -1.724 1.00 0.79 H new ATOM 25 N PRO A 3 -20.612 -7.132 -4.234 1.00 0.71 N ATOM 26 CA PRO A 3 -20.319 -6.315 -5.420 1.00 0.72 C ATOM 27 C PRO A 3 -19.882 -4.897 -5.053 1.00 0.66 C ATOM 28 O PRO A 3 -20.698 -3.979 -4.940 1.00 0.97 O ATOM 29 CB PRO A 3 -21.644 -6.290 -6.184 1.00 0.84 C ATOM 30 CG PRO A 3 -22.687 -6.546 -5.150 1.00 0.94 C ATOM 31 CD PRO A 3 -22.048 -7.455 -4.136 1.00 0.81 C ATOM 0 HA PRO A 3 -19.493 -6.726 -6.000 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.800 -5.329 -6.673 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.665 -7.051 -6.964 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.016 -5.615 -4.688 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.568 -7.011 -5.591 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.433 -7.270 -3.133 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.239 -8.504 -4.362 1.00 0.81 H new ATOM 39 N ILE A 4 -18.588 -4.753 -4.828 1.00 0.45 N ATOM 40 CA ILE A 4 -17.979 -3.482 -4.468 1.00 0.41 C ATOM 41 C ILE A 4 -16.843 -3.181 -5.419 1.00 0.41 C ATOM 42 O ILE A 4 -16.843 -2.167 -6.112 1.00 0.50 O ATOM 43 CB ILE A 4 -17.446 -3.509 -3.009 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.561 -3.160 -2.025 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.257 -2.570 -2.797 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.595 -4.245 -1.868 1.00 0.46 C ATOM 0 H ILE A 4 -17.922 -5.523 -4.890 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.739 -2.704 -4.538 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.096 -4.525 -2.824 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -18.120 -2.948 -1.051 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -19.054 -2.247 -2.358 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.926 -2.630 -1.760 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.440 -2.863 -3.456 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.557 -1.547 -3.024 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.353 -3.924 -1.154 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -20.064 -4.442 -2.832 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -19.116 -5.154 -1.505 1.00 0.46 H new ATOM 58 N GLY A 5 -15.880 -4.087 -5.449 1.00 0.36 N ATOM 59 CA GLY A 5 -14.710 -3.880 -6.262 1.00 0.39 C ATOM 60 C GLY A 5 -13.678 -3.158 -5.455 1.00 0.33 C ATOM 61 O GLY A 5 -12.969 -2.289 -5.946 1.00 0.33 O ATOM 0 H GLY A 5 -15.891 -4.961 -4.924 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.317 -4.836 -6.607 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.966 -3.302 -7.150 1.00 0.39 H new ATOM 65 N LEU A 6 -13.652 -3.537 -4.185 1.00 0.32 N ATOM 66 CA LEU A 6 -12.803 -2.941 -3.173 1.00 0.29 C ATOM 67 C LEU A 6 -11.388 -2.795 -3.691 1.00 0.29 C ATOM 68 O LEU A 6 -10.782 -1.734 -3.592 1.00 0.33 O ATOM 69 CB LEU A 6 -12.840 -3.853 -1.953 1.00 0.29 C ATOM 70 CG LEU A 6 -12.726 -3.185 -0.594 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.817 -2.155 -0.375 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.770 -4.237 0.485 1.00 0.28 C ATOM 0 H LEU A 6 -14.239 -4.289 -3.824 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.157 -1.944 -2.911 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.773 -4.415 -1.978 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -12.030 -4.576 -2.045 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.774 -2.655 -0.554 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.697 -1.702 0.609 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.747 -1.383 -1.141 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.792 -2.639 -0.436 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.688 -3.760 1.462 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.713 -4.781 0.425 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.941 -4.932 0.350 1.00 0.28 H new ATOM 84 N PHE A 7 -10.886 -3.859 -4.278 1.00 0.30 N ATOM 85 CA PHE A 7 -9.587 -3.822 -4.887 1.00 0.32 C ATOM 86 C PHE A 7 -9.732 -3.394 -6.336 1.00 0.29 C ATOM 87 O PHE A 7 -9.824 -4.215 -7.247 1.00 0.32 O ATOM 88 CB PHE A 7 -8.918 -5.187 -4.766 1.00 0.41 C ATOM 89 CG PHE A 7 -7.634 -5.163 -3.982 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.449 -4.263 -2.940 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.614 -6.046 -4.284 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.272 -4.248 -2.223 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.437 -6.033 -3.568 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.267 -5.132 -2.538 1.00 0.61 C ATOM 0 H PHE A 7 -11.363 -4.758 -4.343 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.951 -3.099 -4.377 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.611 -5.881 -4.290 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.716 -5.573 -5.765 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.236 -3.567 -2.689 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.741 -6.754 -5.090 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.139 -3.543 -1.415 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.648 -6.728 -3.813 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.344 -5.121 -1.978 1.00 0.61 H new ATOM 104 N VAL A 8 -9.800 -2.086 -6.516 1.00 0.28 N ATOM 105 CA VAL A 8 -9.946 -1.476 -7.830 1.00 0.34 C ATOM 106 C VAL A 8 -8.679 -1.691 -8.634 1.00 0.44 C ATOM 107 O VAL A 8 -8.712 -2.108 -9.792 1.00 0.63 O ATOM 108 CB VAL A 8 -10.224 0.035 -7.706 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.525 0.649 -9.064 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.364 0.285 -6.731 1.00 0.33 C ATOM 0 H VAL A 8 -9.755 -1.412 -5.752 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.790 -1.945 -8.336 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.327 0.517 -7.317 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.717 1.715 -8.947 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.671 0.505 -9.726 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.403 0.167 -9.495 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.549 1.357 -6.654 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.265 -0.214 -7.089 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.097 -0.109 -5.750 1.00 0.33 H new ATOM 120 N MET A 9 -7.564 -1.397 -7.993 1.00 0.43 N ATOM 121 CA MET A 9 -6.257 -1.681 -8.545 1.00 0.65 C ATOM 122 C MET A 9 -5.305 -1.977 -7.414 1.00 0.44 C ATOM 123 O MET A 9 -5.214 -1.218 -6.448 1.00 0.44 O ATOM 124 CB MET A 9 -5.713 -0.517 -9.361 1.00 1.05 C ATOM 125 CG MET A 9 -4.405 -0.838 -10.071 1.00 1.45 C ATOM 126 SD MET A 9 -3.628 0.611 -10.816 1.00 2.35 S ATOM 127 CE MET A 9 -2.943 1.404 -9.364 1.00 2.88 C ATOM 0 H MET A 9 -7.541 -0.954 -7.074 1.00 0.43 H new ATOM 0 HA MET A 9 -6.353 -2.538 -9.212 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.457 -0.222 -10.101 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.561 0.339 -8.703 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.713 -1.288 -9.359 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.592 -1.581 -10.846 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.865 2.477 -9.538 1.00 2.88 H new ATOM 0 HE2 MET A 9 -3.594 1.222 -8.509 1.00 2.88 H new ATOM 0 HE3 MET A 9 -1.953 0.996 -9.160 1.00 2.88 H new ATOM 137 N ARG A 10 -4.607 -3.073 -7.535 1.00 0.47 N ATOM 138 CA ARG A 10 -3.662 -3.475 -6.522 1.00 0.41 C ATOM 139 C ARG A 10 -2.273 -3.010 -6.909 1.00 0.39 C ATOM 140 O ARG A 10 -1.949 -2.917 -8.093 1.00 0.45 O ATOM 141 CB ARG A 10 -3.701 -4.987 -6.316 1.00 0.46 C ATOM 142 CG ARG A 10 -3.514 -5.798 -7.583 1.00 0.97 C ATOM 143 CD ARG A 10 -3.656 -7.281 -7.303 1.00 1.34 C ATOM 144 NE ARG A 10 -3.570 -8.079 -8.519 1.00 2.11 N ATOM 145 CZ ARG A 10 -3.375 -9.394 -8.532 1.00 2.72 C ATOM 146 NH1 ARG A 10 -3.291 -10.065 -7.386 1.00 2.74 N ATOM 147 NH2 ARG A 10 -3.286 -10.037 -9.688 1.00 3.67 N ATOM 0 H ARG A 10 -4.674 -3.709 -8.329 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.934 -3.009 -5.575 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.924 -5.264 -5.604 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.657 -5.255 -5.865 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -4.250 -5.492 -8.327 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.530 -5.597 -8.006 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.877 -7.595 -6.608 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.612 -7.467 -6.814 1.00 1.34 H new ATOM 0 HE ARG A 10 -3.665 -7.600 -9.414 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -3.376 -9.570 -6.498 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -3.141 -11.074 -7.396 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -3.367 -9.523 -10.565 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -3.136 -11.046 -9.700 1.00 3.67 H new ATOM 161 N PRO A 11 -1.436 -2.702 -5.919 1.00 0.43 N ATOM 162 CA PRO A 11 -0.117 -2.153 -6.156 1.00 0.50 C ATOM 163 C PRO A 11 0.865 -3.242 -6.549 1.00 0.47 C ATOM 164 O PRO A 11 0.607 -4.431 -6.337 1.00 0.54 O ATOM 165 CB PRO A 11 0.268 -1.516 -4.816 1.00 0.62 C ATOM 166 CG PRO A 11 -0.870 -1.792 -3.878 1.00 0.64 C ATOM 167 CD PRO A 11 -1.683 -2.888 -4.494 1.00 0.53 C ATOM 0 HA PRO A 11 -0.104 -1.436 -6.977 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.197 -1.941 -4.436 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.429 -0.444 -4.927 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.499 -2.090 -2.897 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.475 -0.898 -3.731 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.363 -3.872 -4.152 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.741 -2.794 -4.250 1.00 0.53 H new ATOM 175 N GLN A 12 1.978 -2.838 -7.125 1.00 0.44 N ATOM 176 CA GLN A 12 2.924 -3.759 -7.706 1.00 0.43 C ATOM 177 C GLN A 12 4.303 -3.531 -7.127 1.00 0.37 C ATOM 178 O GLN A 12 4.513 -2.550 -6.429 1.00 0.40 O ATOM 179 CB GLN A 12 2.920 -3.527 -9.197 1.00 0.55 C ATOM 180 CG GLN A 12 1.549 -3.770 -9.809 1.00 0.73 C ATOM 181 CD GLN A 12 1.155 -5.241 -9.829 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.351 -5.925 -10.829 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.639 -5.758 -8.717 1.00 1.32 N ATOM 0 H GLN A 12 2.250 -1.858 -7.202 1.00 0.44 H new ATOM 0 HA GLN A 12 2.647 -4.790 -7.485 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.234 -2.504 -9.405 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.649 -4.186 -9.668 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.803 -3.208 -9.248 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.539 -3.384 -10.828 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.487 -5.165 -7.901 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.395 -6.748 -8.680 1.00 1.32 H new ATOM 192 N ASP A 13 5.232 -4.435 -7.405 1.00 0.34 N ATOM 193 CA ASP A 13 6.522 -4.403 -6.848 1.00 0.33 C ATOM 194 C ASP A 13 7.380 -3.327 -7.473 1.00 0.36 C ATOM 195 O ASP A 13 6.905 -2.315 -7.994 1.00 0.50 O ATOM 196 CB ASP A 13 7.154 -5.773 -7.069 1.00 0.35 C ATOM 197 CG ASP A 13 7.126 -6.234 -8.514 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.024 -6.513 -9.032 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.207 -6.347 -9.126 1.00 2.06 O ATOM 0 H ASP A 13 5.078 -5.217 -8.041 1.00 0.34 H new ATOM 0 HA ASP A 13 6.450 -4.170 -5.786 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.188 -5.745 -6.726 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.634 -6.507 -6.453 1.00 0.35 H new ATOM 204 N GLY A 14 8.646 -3.605 -7.449 1.00 0.30 N ATOM 205 CA GLY A 14 9.632 -2.656 -7.863 1.00 0.30 C ATOM 206 C GLY A 14 10.994 -2.978 -7.316 1.00 0.25 C ATOM 207 O GLY A 14 11.160 -3.354 -6.158 1.00 0.28 O ATOM 0 H GLY A 14 9.026 -4.500 -7.141 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.676 -2.632 -8.952 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.336 -1.660 -7.534 1.00 0.30 H new ATOM 211 N GLU A 15 11.955 -2.836 -8.174 1.00 0.26 N ATOM 212 CA GLU A 15 13.351 -3.009 -7.828 1.00 0.25 C ATOM 213 C GLU A 15 14.066 -1.685 -8.000 1.00 0.23 C ATOM 214 O GLU A 15 14.180 -1.174 -9.114 1.00 0.30 O ATOM 215 CB GLU A 15 14.003 -4.077 -8.703 1.00 0.33 C ATOM 216 CG GLU A 15 13.460 -5.479 -8.478 1.00 0.69 C ATOM 217 CD GLU A 15 14.384 -6.540 -9.038 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.539 -6.631 -8.562 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.971 -7.284 -9.952 1.00 1.53 O ATOM 0 H GLU A 15 11.801 -2.593 -9.152 1.00 0.26 H new ATOM 0 HA GLU A 15 13.423 -3.338 -6.791 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.864 -3.809 -9.750 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.077 -4.080 -8.515 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.320 -5.647 -7.410 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.480 -5.568 -8.946 1.00 0.69 H new ATOM 226 N VAL A 16 14.531 -1.120 -6.896 1.00 0.20 N ATOM 227 CA VAL A 16 15.089 0.169 -6.878 1.00 0.21 C ATOM 228 C VAL A 16 16.353 0.093 -6.068 1.00 0.22 C ATOM 229 O VAL A 16 16.574 -0.854 -5.339 1.00 0.27 O ATOM 230 CB VAL A 16 14.117 1.185 -6.253 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.709 0.991 -6.796 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.134 1.129 -4.725 1.00 0.23 C ATOM 0 H VAL A 16 14.518 -1.577 -5.984 1.00 0.20 H new ATOM 0 HA VAL A 16 15.294 0.505 -7.895 1.00 0.21 H new ATOM 0 HB VAL A 16 14.458 2.180 -6.538 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.039 1.720 -6.340 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.714 1.129 -7.877 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.364 -0.016 -6.560 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.433 1.863 -4.326 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.843 0.132 -4.394 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.138 1.352 -4.364 1.00 0.23 H new ATOM 242 N THR A 17 17.161 1.076 -6.212 1.00 0.23 N ATOM 243 CA THR A 17 18.448 1.126 -5.546 1.00 0.27 C ATOM 244 C THR A 17 18.323 1.871 -4.226 1.00 0.28 C ATOM 245 O THR A 17 17.390 2.660 -4.042 1.00 0.28 O ATOM 246 CB THR A 17 19.489 1.838 -6.414 1.00 0.35 C ATOM 247 OG1 THR A 17 19.103 1.765 -7.795 1.00 0.77 O ATOM 248 CG2 THR A 17 20.867 1.215 -6.238 1.00 0.56 C ATOM 0 H THR A 17 16.964 1.887 -6.798 1.00 0.23 H new ATOM 0 HA THR A 17 18.771 0.100 -5.370 1.00 0.27 H new ATOM 0 HB THR A 17 19.538 2.880 -6.099 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.771 2.223 -8.346 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.587 1.740 -6.866 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.171 1.293 -5.194 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.831 0.165 -6.528 1.00 0.56 H new ATOM 256 N VAL A 18 19.246 1.610 -3.309 1.00 0.31 N ATOM 257 CA VAL A 18 19.304 2.342 -2.070 1.00 0.35 C ATOM 258 C VAL A 18 19.575 3.789 -2.356 1.00 0.36 C ATOM 259 O VAL A 18 20.669 4.202 -2.747 1.00 0.39 O ATOM 260 CB VAL A 18 20.396 1.875 -1.120 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.188 2.471 0.263 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.485 0.364 -1.051 1.00 0.78 C ATOM 0 H VAL A 18 19.963 0.892 -3.410 1.00 0.31 H new ATOM 0 HA VAL A 18 18.339 2.174 -1.591 1.00 0.35 H new ATOM 0 HB VAL A 18 21.347 2.231 -1.515 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.978 2.127 0.930 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.216 3.559 0.198 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.220 2.156 0.653 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.278 0.077 -0.361 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.535 -0.041 -0.701 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.705 -0.033 -2.042 1.00 0.78 H new ATOM 272 N GLY A 19 18.547 4.511 -2.178 1.00 0.38 N ATOM 273 CA GLY A 19 18.607 5.951 -2.247 1.00 0.45 C ATOM 274 C GLY A 19 17.884 6.534 -3.443 1.00 0.40 C ATOM 275 O GLY A 19 18.043 7.716 -3.743 1.00 0.48 O ATOM 0 H GLY A 19 17.619 4.138 -1.977 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.178 6.368 -1.336 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.651 6.261 -2.278 1.00 0.45 H new ATOM 279 N GLY A 20 17.098 5.727 -4.148 1.00 0.32 N ATOM 280 CA GLY A 20 16.274 6.264 -5.169 1.00 0.32 C ATOM 281 C GLY A 20 14.918 6.501 -4.645 1.00 0.30 C ATOM 282 O GLY A 20 14.704 7.219 -3.677 1.00 0.44 O ATOM 0 H GLY A 20 17.030 4.718 -4.018 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.699 7.197 -5.538 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.232 5.577 -6.014 1.00 0.32 H new ATOM 286 N SER A 21 14.016 5.882 -5.296 1.00 0.24 N ATOM 287 CA SER A 21 12.663 5.923 -4.934 1.00 0.22 C ATOM 288 C SER A 21 11.953 4.667 -5.361 1.00 0.22 C ATOM 289 O SER A 21 12.429 3.905 -6.195 1.00 0.25 O ATOM 290 CB SER A 21 12.021 7.120 -5.557 1.00 0.30 C ATOM 291 OG SER A 21 12.257 7.166 -6.955 1.00 0.82 O ATOM 0 H SER A 21 14.207 5.315 -6.122 1.00 0.24 H new ATOM 0 HA SER A 21 12.590 5.994 -3.849 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.948 7.098 -5.368 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.408 8.026 -5.091 1.00 0.30 H new ATOM 0 HG SER A 21 11.823 7.959 -7.334 1.00 0.82 H new ATOM 297 N ILE A 22 10.814 4.515 -4.779 1.00 0.22 N ATOM 298 CA ILE A 22 9.875 3.488 -5.067 1.00 0.24 C ATOM 299 C ILE A 22 8.494 4.044 -4.833 1.00 0.25 C ATOM 300 O ILE A 22 8.237 4.840 -3.938 1.00 0.27 O ATOM 301 CB ILE A 22 10.115 2.226 -4.249 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.078 1.153 -4.566 1.00 0.29 C ATOM 303 CG2 ILE A 22 10.164 2.497 -2.760 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.177 0.586 -5.969 1.00 0.32 C ATOM 0 H ILE A 22 10.494 5.145 -4.043 1.00 0.22 H new ATOM 0 HA ILE A 22 9.989 3.182 -6.107 1.00 0.24 H new ATOM 0 HB ILE A 22 11.098 1.855 -4.540 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.184 0.339 -3.849 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.082 1.574 -4.426 1.00 0.29 H new ATOM 0 HG21 ILE A 22 10.337 1.563 -2.226 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.973 3.194 -2.544 1.00 0.29 H new ATOM 0 HG23 ILE A 22 9.217 2.929 -2.437 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.404 -0.170 -6.111 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.040 1.387 -6.696 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.158 0.133 -6.110 1.00 0.32 H new ATOM 316 N THR A 23 7.627 3.639 -5.654 1.00 0.25 N ATOM 317 CA THR A 23 6.302 4.217 -5.693 1.00 0.23 C ATOM 318 C THR A 23 5.256 3.156 -5.875 1.00 0.24 C ATOM 319 O THR A 23 5.335 2.315 -6.772 1.00 0.28 O ATOM 320 CB THR A 23 6.143 5.253 -6.811 1.00 0.26 C ATOM 321 OG1 THR A 23 7.310 6.089 -6.873 1.00 0.31 O ATOM 322 CG2 THR A 23 4.902 6.112 -6.569 1.00 0.24 C ATOM 0 H THR A 23 7.786 2.896 -6.334 1.00 0.25 H new ATOM 0 HA THR A 23 6.167 4.718 -4.734 1.00 0.23 H new ATOM 0 HB THR A 23 6.026 4.728 -7.759 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.203 6.748 -7.590 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.803 6.843 -7.372 1.00 0.24 H new ATOM 0 HG22 THR A 23 4.017 5.475 -6.547 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.999 6.631 -5.616 1.00 0.24 H new ATOM 330 N PHE A 24 4.281 3.217 -5.015 1.00 0.24 N ATOM 331 CA PHE A 24 3.171 2.314 -5.056 1.00 0.27 C ATOM 332 C PHE A 24 1.866 3.083 -5.071 1.00 0.24 C ATOM 333 O PHE A 24 1.730 4.123 -4.436 1.00 0.30 O ATOM 334 CB PHE A 24 3.200 1.394 -3.853 1.00 0.40 C ATOM 335 CG PHE A 24 4.469 0.601 -3.718 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.927 -0.178 -4.762 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.199 0.634 -2.547 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.093 -0.907 -4.642 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.367 -0.093 -2.419 1.00 0.51 C ATOM 340 CZ PHE A 24 6.814 -0.863 -3.467 1.00 0.49 C ATOM 0 H PHE A 24 4.235 3.901 -4.260 1.00 0.24 H new ATOM 0 HA PHE A 24 3.246 1.719 -5.966 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.058 1.989 -2.951 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.358 0.704 -3.916 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.366 -0.217 -5.684 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.853 1.236 -1.720 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.440 -1.511 -5.467 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.928 -0.057 -1.497 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.727 -1.432 -3.370 1.00 0.49 H new ATOM 350 N SER A 25 0.927 2.562 -5.813 1.00 0.28 N ATOM 351 CA SER A 25 -0.412 3.083 -5.859 1.00 0.28 C ATOM 352 C SER A 25 -1.402 1.950 -5.659 1.00 0.27 C ATOM 353 O SER A 25 -1.403 0.955 -6.382 1.00 0.31 O ATOM 354 CB SER A 25 -0.691 3.764 -7.184 1.00 0.35 C ATOM 355 OG SER A 25 0.496 4.281 -7.762 1.00 0.58 O ATOM 0 H SER A 25 1.073 1.750 -6.413 1.00 0.28 H new ATOM 0 HA SER A 25 -0.518 3.821 -5.064 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.151 3.053 -7.870 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.407 4.573 -7.035 1.00 0.35 H new ATOM 0 HG SER A 25 0.283 4.712 -8.616 1.00 0.58 H new ATOM 361 N ALA A 26 -2.217 2.127 -4.665 1.00 0.26 N ATOM 362 CA ALA A 26 -3.243 1.166 -4.278 1.00 0.26 C ATOM 363 C ALA A 26 -4.628 1.812 -4.344 1.00 0.22 C ATOM 364 O ALA A 26 -4.904 2.776 -3.634 1.00 0.25 O ATOM 365 CB ALA A 26 -2.959 0.660 -2.867 1.00 0.32 C ATOM 0 H ALA A 26 -2.199 2.960 -4.076 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.225 0.324 -4.970 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.726 -0.058 -2.577 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.982 0.177 -2.843 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.966 1.499 -2.171 1.00 0.32 H new ATOM 371 N ARG A 27 -5.500 1.288 -5.196 1.00 0.22 N ATOM 372 CA ARG A 27 -6.826 1.877 -5.385 1.00 0.25 C ATOM 373 C ARG A 27 -7.902 1.032 -4.707 1.00 0.23 C ATOM 374 O ARG A 27 -8.057 -0.152 -5.017 1.00 0.31 O ATOM 375 CB ARG A 27 -7.140 2.005 -6.879 1.00 0.36 C ATOM 376 CG ARG A 27 -6.167 2.890 -7.644 1.00 0.28 C ATOM 377 CD ARG A 27 -6.472 2.895 -9.136 1.00 0.46 C ATOM 378 NE ARG A 27 -5.518 3.710 -9.886 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.848 4.509 -10.903 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.115 4.619 -11.299 1.00 1.46 N ATOM 381 NH2 ARG A 27 -4.904 5.193 -11.535 1.00 2.43 N ATOM 0 H ARG A 27 -5.318 0.462 -5.765 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.822 2.867 -4.929 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.139 1.011 -7.326 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.147 2.406 -6.995 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.218 3.908 -7.258 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.148 2.538 -7.481 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.452 1.873 -9.514 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.481 3.275 -9.299 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.536 3.665 -9.614 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.846 4.089 -10.824 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.355 5.233 -12.078 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -3.930 5.107 -11.243 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -5.152 5.805 -12.313 1.00 2.43 H new ATOM 395 N VAL A 28 -8.654 1.645 -3.793 1.00 0.19 N ATOM 396 CA VAL A 28 -9.697 0.954 -3.080 1.00 0.20 C ATOM 397 C VAL A 28 -11.002 1.686 -3.248 1.00 0.23 C ATOM 398 O VAL A 28 -11.101 2.892 -3.035 1.00 0.24 O ATOM 399 CB VAL A 28 -9.414 0.807 -1.578 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.412 -0.164 -0.945 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.983 0.358 -1.357 1.00 0.23 C ATOM 0 H VAL A 28 -8.549 2.627 -3.536 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.745 -0.048 -3.508 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.538 1.775 -1.093 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.201 -0.260 0.120 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.425 0.215 -1.082 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.322 -1.140 -1.422 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.794 0.257 -0.288 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.824 -0.603 -1.846 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.301 1.097 -1.778 1.00 0.23 H new ATOM 411 N ALA A 29 -11.971 0.933 -3.668 1.00 0.29 N ATOM 412 CA ALA A 29 -13.323 1.397 -3.840 1.00 0.32 C ATOM 413 C ALA A 29 -13.883 1.954 -2.552 1.00 0.34 C ATOM 414 O ALA A 29 -14.061 1.239 -1.566 1.00 0.40 O ATOM 415 CB ALA A 29 -14.195 0.267 -4.344 1.00 0.38 C ATOM 0 H ALA A 29 -11.845 -0.050 -3.909 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.314 2.202 -4.575 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.217 0.625 -4.472 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.813 -0.089 -5.301 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.185 -0.550 -3.623 1.00 0.38 H new ATOM 421 N GLY A 30 -14.118 3.248 -2.573 1.00 0.35 N ATOM 422 CA GLY A 30 -14.841 3.907 -1.508 1.00 0.42 C ATOM 423 C GLY A 30 -16.177 3.238 -1.277 1.00 0.50 C ATOM 424 O GLY A 30 -16.609 3.064 -0.145 1.00 0.76 O ATOM 0 H GLY A 30 -13.816 3.869 -3.323 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.252 3.881 -0.591 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -14.993 4.957 -1.760 1.00 0.42 H new ATOM 428 N ALA A 31 -16.823 2.908 -2.396 1.00 0.49 N ATOM 429 CA ALA A 31 -17.993 2.035 -2.442 1.00 0.55 C ATOM 430 C ALA A 31 -19.085 2.354 -1.417 1.00 0.64 C ATOM 431 O ALA A 31 -19.295 3.509 -1.029 1.00 0.71 O ATOM 432 CB ALA A 31 -17.508 0.624 -2.254 1.00 0.58 C ATOM 0 H ALA A 31 -16.540 3.248 -3.315 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.473 2.190 -3.408 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.357 -0.059 -2.283 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.810 0.370 -3.052 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.005 0.537 -1.291 1.00 0.58 H new ATOM 438 N SER A 32 -19.802 1.301 -1.037 1.00 0.85 N ATOM 439 CA SER A 32 -20.855 1.365 -0.044 1.00 0.96 C ATOM 440 C SER A 32 -20.603 0.288 1.007 1.00 1.01 C ATOM 441 O SER A 32 -20.353 -0.874 0.671 1.00 1.69 O ATOM 442 CB SER A 32 -22.219 1.162 -0.713 1.00 1.19 C ATOM 443 OG SER A 32 -23.273 1.164 0.236 1.00 1.74 O ATOM 0 H SER A 32 -19.661 0.366 -1.420 1.00 0.85 H new ATOM 0 HA SER A 32 -20.857 2.344 0.436 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.387 1.952 -1.445 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.221 0.218 -1.257 1.00 1.19 H new ATOM 0 HG SER A 32 -24.128 1.034 -0.225 1.00 1.74 H new ATOM 449 N LEU A 33 -20.650 0.672 2.272 1.00 0.96 N ATOM 450 CA LEU A 33 -20.301 -0.217 3.352 1.00 0.93 C ATOM 451 C LEU A 33 -20.942 0.207 4.659 1.00 0.90 C ATOM 452 O LEU A 33 -21.655 1.206 4.726 1.00 0.98 O ATOM 453 CB LEU A 33 -18.777 -0.314 3.544 1.00 0.99 C ATOM 454 CG LEU A 33 -17.909 0.963 3.398 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.390 1.080 1.977 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.637 2.242 3.795 1.00 1.95 C ATOM 0 H LEU A 33 -20.931 1.606 2.572 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.684 -1.198 3.072 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.598 -0.719 4.540 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.403 -1.047 2.829 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.078 0.852 4.094 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.782 1.980 1.885 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.784 0.206 1.738 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -18.231 1.138 1.286 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.970 3.095 3.668 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.516 2.371 3.163 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.946 2.176 4.838 1.00 1.95 H new ATOM 468 N LEU A 34 -20.676 -0.582 5.687 1.00 0.87 N ATOM 469 CA LEU A 34 -21.083 -0.256 7.038 1.00 0.89 C ATOM 470 C LEU A 34 -20.182 0.850 7.572 1.00 0.84 C ATOM 471 O LEU A 34 -20.637 1.791 8.215 1.00 0.95 O ATOM 472 CB LEU A 34 -20.972 -1.497 7.919 1.00 1.01 C ATOM 473 CG LEU A 34 -21.596 -1.359 9.299 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.113 -1.448 9.217 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.039 -2.415 10.237 1.00 1.47 C ATOM 0 H LEU A 34 -20.172 -1.465 5.605 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.118 0.086 7.043 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.444 -2.334 7.404 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.918 -1.749 8.036 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.341 -0.377 9.698 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.538 -1.347 10.216 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.490 -0.649 8.579 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.399 -2.412 8.797 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.494 -2.304 11.221 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.263 -3.406 9.843 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.959 -2.294 10.321 1.00 1.47 H new ATOM 487 N LYS A 35 -18.894 0.716 7.285 1.00 0.76 N ATOM 488 CA LYS A 35 -17.903 1.721 7.628 1.00 0.76 C ATOM 489 C LYS A 35 -16.784 1.701 6.604 1.00 0.65 C ATOM 490 O LYS A 35 -16.518 0.651 6.016 1.00 0.75 O ATOM 491 CB LYS A 35 -17.372 1.510 9.061 1.00 0.90 C ATOM 492 CG LYS A 35 -17.028 0.065 9.424 1.00 0.92 C ATOM 493 CD LYS A 35 -15.730 -0.416 8.783 1.00 0.90 C ATOM 494 CE LYS A 35 -14.515 0.343 9.299 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.284 0.117 10.749 1.00 1.40 N ATOM 0 H LYS A 35 -18.508 -0.097 6.806 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.370 2.706 7.607 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.481 2.123 9.194 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.119 1.876 9.765 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.946 -0.022 10.507 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.844 -0.587 9.112 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.602 -1.480 8.981 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.796 -0.299 7.701 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -13.632 0.034 8.740 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.651 1.409 9.117 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.353 0.496 11.015 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -15.024 0.600 11.298 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -14.313 -0.903 10.950 1.00 1.40 H new ATOM 509 N PRO A 36 -16.142 2.863 6.361 1.00 0.65 N ATOM 510 CA PRO A 36 -15.098 2.998 5.335 1.00 0.56 C ATOM 511 C PRO A 36 -14.079 1.864 5.395 1.00 0.45 C ATOM 512 O PRO A 36 -13.694 1.435 6.486 1.00 0.47 O ATOM 513 CB PRO A 36 -14.440 4.332 5.683 1.00 0.61 C ATOM 514 CG PRO A 36 -15.523 5.127 6.324 1.00 0.88 C ATOM 515 CD PRO A 36 -16.377 4.137 7.075 1.00 0.88 C ATOM 0 HA PRO A 36 -15.505 2.958 4.324 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.596 4.194 6.359 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.057 4.830 4.792 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.110 5.876 6.999 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.110 5.660 5.576 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.085 4.069 8.123 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.430 4.419 7.055 1.00 0.88 H new ATOM 523 N PRO A 37 -13.633 1.362 4.231 1.00 0.40 N ATOM 524 CA PRO A 37 -12.720 0.223 4.176 1.00 0.35 C ATOM 525 C PRO A 37 -11.486 0.436 5.014 1.00 0.32 C ATOM 526 O PRO A 37 -10.884 1.513 5.015 1.00 0.36 O ATOM 527 CB PRO A 37 -12.318 0.110 2.716 1.00 0.40 C ATOM 528 CG PRO A 37 -13.361 0.869 1.950 1.00 0.53 C ATOM 529 CD PRO A 37 -13.956 1.882 2.889 1.00 0.47 C ATOM 0 HA PRO A 37 -13.205 -0.672 4.565 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.326 0.530 2.549 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.280 -0.932 2.399 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.919 1.361 1.083 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -14.130 0.194 1.575 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.527 2.872 2.731 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.033 1.974 2.746 1.00 0.47 H new ATOM 537 N VAL A 38 -11.111 -0.604 5.714 1.00 0.29 N ATOM 538 CA VAL A 38 -9.931 -0.580 6.517 1.00 0.27 C ATOM 539 C VAL A 38 -8.868 -1.265 5.738 1.00 0.22 C ATOM 540 O VAL A 38 -8.847 -2.482 5.600 1.00 0.20 O ATOM 541 CB VAL A 38 -10.059 -1.320 7.844 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.007 -0.839 8.831 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.452 -1.199 8.430 1.00 0.77 C ATOM 0 H VAL A 38 -11.620 -1.488 5.739 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.720 0.463 6.752 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.887 -2.378 7.646 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.116 -1.380 9.771 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.013 -1.021 8.421 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.136 0.229 9.009 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.498 -1.741 9.375 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.684 -0.148 8.603 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.177 -1.621 7.734 1.00 0.77 H new ATOM 553 N VAL A 39 -8.022 -0.475 5.224 1.00 0.22 N ATOM 554 CA VAL A 39 -6.880 -0.946 4.529 1.00 0.21 C ATOM 555 C VAL A 39 -5.673 -0.569 5.333 1.00 0.20 C ATOM 556 O VAL A 39 -5.372 0.607 5.526 1.00 0.23 O ATOM 557 CB VAL A 39 -6.707 -0.320 3.147 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.830 -1.200 2.268 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.047 -0.024 2.499 1.00 0.24 C ATOM 0 H VAL A 39 -8.095 0.541 5.269 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.002 -2.021 4.397 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.200 0.637 3.267 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.718 -0.738 1.287 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.849 -1.313 2.730 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.294 -2.180 2.156 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.886 0.421 1.517 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.611 -0.950 2.390 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.608 0.671 3.124 1.00 0.24 H new ATOM 569 N LYS A 40 -5.009 -1.558 5.801 1.00 0.19 N ATOM 570 CA LYS A 40 -3.767 -1.381 6.455 1.00 0.20 C ATOM 571 C LYS A 40 -2.674 -1.846 5.554 1.00 0.19 C ATOM 572 O LYS A 40 -2.737 -2.896 4.912 1.00 0.21 O ATOM 573 CB LYS A 40 -3.714 -2.096 7.797 1.00 0.26 C ATOM 574 CG LYS A 40 -4.061 -3.568 7.734 1.00 0.31 C ATOM 575 CD LYS A 40 -2.844 -4.439 7.426 1.00 0.37 C ATOM 576 CE LYS A 40 -2.238 -5.050 8.686 1.00 0.86 C ATOM 577 NZ LYS A 40 -1.767 -4.033 9.669 1.00 1.54 N ATOM 0 H LYS A 40 -5.317 -2.529 5.740 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.638 -0.320 6.671 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.712 -1.989 8.213 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.400 -1.602 8.486 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.495 -3.878 8.685 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -4.822 -3.727 6.970 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.134 -5.236 6.741 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.090 -3.839 6.916 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.980 -5.690 9.164 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -1.400 -5.688 8.405 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -1.461 -4.509 10.541 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -0.968 -3.504 9.265 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -2.543 -3.376 9.887 1.00 1.54 H new ATOM 591 N TRP A 41 -1.724 -1.000 5.466 1.00 0.18 N ATOM 592 CA TRP A 41 -0.512 -1.284 4.762 1.00 0.19 C ATOM 593 C TRP A 41 0.508 -1.885 5.686 1.00 0.21 C ATOM 594 O TRP A 41 0.488 -1.684 6.897 1.00 0.28 O ATOM 595 CB TRP A 41 0.068 -0.032 4.153 1.00 0.21 C ATOM 596 CG TRP A 41 -0.693 0.478 2.985 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.901 1.102 3.002 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.279 0.419 1.623 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.243 1.473 1.723 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.274 1.048 0.862 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.839 -0.101 0.969 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.186 1.170 -0.515 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.921 0.022 -0.403 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.092 0.653 -1.132 1.00 0.33 C ATOM 0 H TRP A 41 -1.755 -0.070 5.884 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.756 -1.992 3.970 1.00 0.19 H new ATOM 0 HB2 TRP A 41 0.108 0.746 4.915 1.00 0.21 H new ATOM 0 HB3 TRP A 41 1.095 -0.231 3.846 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.499 1.279 3.884 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.086 1.984 1.460 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.625 -0.590 1.526 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -1.964 1.661 -1.081 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.781 -0.375 -0.922 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.003 0.731 -2.206 1.00 0.33 H new ATOM 615 N PHE A 42 1.414 -2.579 5.077 1.00 0.21 N ATOM 616 CA PHE A 42 2.472 -3.260 5.763 1.00 0.23 C ATOM 617 C PHE A 42 3.693 -3.050 4.921 1.00 0.26 C ATOM 618 O PHE A 42 3.672 -3.364 3.738 1.00 0.34 O ATOM 619 CB PHE A 42 2.151 -4.747 5.857 1.00 0.26 C ATOM 620 CG PHE A 42 2.853 -5.489 6.958 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.407 -5.396 8.266 1.00 0.49 C ATOM 622 CD2 PHE A 42 3.975 -6.255 6.689 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.062 -6.054 9.286 1.00 0.62 C ATOM 624 CE2 PHE A 42 4.639 -6.913 7.709 1.00 0.50 C ATOM 625 CZ PHE A 42 4.126 -6.911 8.978 1.00 0.60 C ATOM 0 H PHE A 42 1.442 -2.693 4.064 1.00 0.21 H new ATOM 0 HA PHE A 42 2.611 -2.887 6.778 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.076 -4.861 5.993 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.404 -5.217 4.907 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.535 -4.800 8.490 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.335 -6.339 5.674 1.00 0.37 H new ATOM 0 HE1 PHE A 42 2.757 -5.910 10.312 1.00 0.62 H new ATOM 0 HE2 PHE A 42 5.565 -7.430 7.503 1.00 0.50 H new ATOM 0 HZ PHE A 42 4.537 -7.563 9.734 1.00 0.60 H new ATOM 635 N LYS A 43 4.748 -2.521 5.473 1.00 0.28 N ATOM 636 CA LYS A 43 5.853 -2.179 4.633 1.00 0.31 C ATOM 637 C LYS A 43 6.919 -3.206 4.826 1.00 0.39 C ATOM 638 O LYS A 43 7.505 -3.291 5.911 1.00 0.81 O ATOM 639 CB LYS A 43 6.404 -0.815 4.937 1.00 0.40 C ATOM 640 CG LYS A 43 7.781 -0.612 4.359 1.00 0.54 C ATOM 641 CD LYS A 43 8.213 0.806 4.453 1.00 0.67 C ATOM 642 CE LYS A 43 9.436 0.972 3.617 1.00 1.29 C ATOM 643 NZ LYS A 43 9.781 2.399 3.381 1.00 2.17 N ATOM 0 H LYS A 43 4.864 -2.323 6.467 1.00 0.28 H new ATOM 0 HA LYS A 43 5.507 -2.157 3.600 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.730 -0.056 4.539 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.441 -0.673 6.017 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.494 -1.245 4.887 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.787 -0.926 3.315 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.421 1.469 4.105 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.421 1.073 5.489 1.00 0.67 H new ATOM 0 HE2 LYS A 43 10.275 0.476 4.105 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.286 0.475 2.658 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.815 2.506 3.355 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.378 2.708 2.473 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.391 2.982 4.149 1.00 2.17 H new ATOM 657 N GLY A 44 7.194 -4.000 3.827 1.00 0.64 N ATOM 658 CA GLY A 44 7.993 -5.139 4.147 1.00 0.92 C ATOM 659 C GLY A 44 9.458 -4.882 4.144 1.00 0.39 C ATOM 660 O GLY A 44 10.137 -4.960 3.131 1.00 1.23 O ATOM 0 H GLY A 44 6.901 -3.892 2.856 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.703 -5.506 5.131 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.774 -5.933 3.433 1.00 0.92 H new ATOM 664 N LYS A 45 9.902 -4.548 5.331 1.00 0.85 N ATOM 665 CA LYS A 45 11.108 -5.028 5.926 1.00 1.06 C ATOM 666 C LYS A 45 10.613 -6.069 6.923 1.00 0.74 C ATOM 667 O LYS A 45 11.235 -7.099 7.182 1.00 0.82 O ATOM 668 CB LYS A 45 11.830 -3.865 6.627 1.00 1.67 C ATOM 669 CG LYS A 45 13.329 -4.061 6.795 1.00 2.44 C ATOM 670 CD LYS A 45 14.076 -2.744 7.041 1.00 2.82 C ATOM 671 CE LYS A 45 13.490 -1.951 8.194 1.00 2.98 C ATOM 672 NZ LYS A 45 14.380 -0.855 8.655 1.00 3.87 N ATOM 0 H LYS A 45 9.398 -3.898 5.934 1.00 0.85 H new ATOM 0 HA LYS A 45 11.823 -5.446 5.218 1.00 1.06 H new ATOM 0 HB2 LYS A 45 11.658 -2.951 6.058 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.384 -3.717 7.610 1.00 1.67 H new ATOM 0 HG2 LYS A 45 13.511 -4.738 7.629 1.00 2.44 H new ATOM 0 HG3 LYS A 45 13.731 -4.540 5.902 1.00 2.44 H new ATOM 0 HD2 LYS A 45 15.125 -2.958 7.247 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.046 -2.138 6.135 1.00 2.82 H new ATOM 0 HE2 LYS A 45 12.532 -1.530 7.889 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.291 -2.625 9.027 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 13.803 -0.056 8.986 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 14.977 -1.197 9.434 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 14.984 -0.543 7.867 1.00 3.87 H new ATOM 686 N TRP A 46 9.393 -5.738 7.414 1.00 0.58 N ATOM 687 CA TRP A 46 8.713 -6.350 8.558 1.00 0.57 C ATOM 688 C TRP A 46 7.630 -5.408 9.141 1.00 0.63 C ATOM 689 O TRP A 46 6.833 -5.821 9.978 1.00 0.74 O ATOM 690 CB TRP A 46 9.674 -6.666 9.694 1.00 0.76 C ATOM 691 CG TRP A 46 10.799 -5.696 9.853 1.00 0.97 C ATOM 692 CD1 TRP A 46 10.722 -4.363 9.682 1.00 1.19 C ATOM 693 CD2 TRP A 46 12.154 -5.980 10.211 1.00 1.27 C ATOM 694 NE1 TRP A 46 11.949 -3.791 9.819 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.848 -4.759 10.183 1.00 1.42 C ATOM 696 CE3 TRP A 46 12.848 -7.144 10.542 1.00 1.66 C ATOM 697 CZ2 TRP A 46 14.208 -4.665 10.467 1.00 1.78 C ATOM 698 CZ3 TRP A 46 14.196 -7.051 10.830 1.00 2.10 C ATOM 699 CH2 TRP A 46 14.864 -5.819 10.794 1.00 2.11 C ATOM 0 H TRP A 46 8.836 -4.995 6.992 1.00 0.58 H new ATOM 0 HA TRP A 46 8.268 -7.268 8.174 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.111 -6.704 10.627 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.091 -7.660 9.532 1.00 0.76 H new ATOM 0 HD1 TRP A 46 9.812 -3.822 9.466 1.00 1.19 H new ATOM 0 HE1 TRP A 46 12.164 -2.804 9.675 1.00 1.38 H new ATOM 0 HE3 TRP A 46 12.342 -8.098 10.572 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.725 -3.717 10.430 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 14.746 -7.944 11.088 1.00 2.10 H new ATOM 0 HH2 TRP A 46 15.917 -5.781 11.029 1.00 2.11 H new ATOM 710 N VAL A 47 7.630 -4.144 8.712 1.00 0.63 N ATOM 711 CA VAL A 47 6.917 -3.100 9.339 1.00 0.74 C ATOM 712 C VAL A 47 5.493 -2.954 8.839 1.00 0.59 C ATOM 713 O VAL A 47 5.076 -3.523 7.843 1.00 0.57 O ATOM 714 CB VAL A 47 7.649 -1.748 9.128 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.113 -1.896 8.772 1.00 1.20 C ATOM 716 CG2 VAL A 47 7.000 -0.876 8.088 1.00 1.29 C ATOM 0 H VAL A 47 8.152 -3.840 7.890 1.00 0.63 H new ATOM 0 HA VAL A 47 6.873 -3.364 10.396 1.00 0.74 H new ATOM 0 HB VAL A 47 7.570 -1.268 10.103 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.557 -0.909 8.640 1.00 1.20 H new ATOM 0 HG12 VAL A 47 9.631 -2.423 9.573 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.207 -2.463 7.846 1.00 1.20 H new ATOM 0 HG21 VAL A 47 7.562 0.053 7.990 1.00 1.29 H new ATOM 0 HG22 VAL A 47 6.991 -1.397 7.131 1.00 1.29 H new ATOM 0 HG23 VAL A 47 5.977 -0.651 8.389 1.00 1.29 H new ATOM 726 N ASP A 48 4.802 -2.153 9.589 1.00 0.60 N ATOM 727 CA ASP A 48 3.461 -1.686 9.303 1.00 0.56 C ATOM 728 C ASP A 48 3.507 -0.202 9.038 1.00 0.58 C ATOM 729 O ASP A 48 4.074 0.544 9.816 1.00 0.96 O ATOM 730 CB ASP A 48 2.559 -1.909 10.483 1.00 0.73 C ATOM 731 CG ASP A 48 1.119 -1.504 10.214 1.00 1.88 C ATOM 732 OD1 ASP A 48 0.776 -0.320 10.426 1.00 2.22 O ATOM 733 OD2 ASP A 48 0.328 -2.369 9.776 1.00 2.73 O ATOM 0 H ASP A 48 5.168 -1.782 10.466 1.00 0.60 H new ATOM 0 HA ASP A 48 3.081 -2.234 8.441 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.588 -2.962 10.762 1.00 0.73 H new ATOM 0 HB3 ASP A 48 2.937 -1.343 11.334 1.00 0.73 H new ATOM 738 N LEU A 49 2.875 0.221 7.991 1.00 0.39 N ATOM 739 CA LEU A 49 2.943 1.608 7.571 1.00 0.35 C ATOM 740 C LEU A 49 2.098 2.538 8.408 1.00 0.41 C ATOM 741 O LEU A 49 2.489 3.673 8.614 1.00 0.44 O ATOM 742 CB LEU A 49 2.511 1.744 6.115 1.00 0.29 C ATOM 743 CG LEU A 49 3.569 1.501 5.049 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.388 0.199 4.325 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.485 2.571 4.033 1.00 0.28 C ATOM 0 H LEU A 49 2.296 -0.372 7.396 1.00 0.39 H new ATOM 0 HA LEU A 49 3.985 1.902 7.701 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.690 1.049 5.940 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.114 2.749 5.973 1.00 0.29 H new ATOM 0 HG LEU A 49 4.529 1.483 5.565 1.00 0.25 H new ATOM 0 HD11 LEU A 49 4.174 0.086 3.578 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.443 -0.624 5.037 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.416 0.189 3.833 1.00 0.36 H new ATOM 0 HD21 LEU A 49 4.240 2.404 3.265 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.495 2.562 3.576 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.657 3.537 4.507 1.00 0.28 H new ATOM 757 N SER A 50 0.998 2.066 8.941 1.00 0.48 N ATOM 758 CA SER A 50 -0.023 2.950 9.449 1.00 0.58 C ATOM 759 C SER A 50 0.537 3.790 10.573 1.00 0.62 C ATOM 760 O SER A 50 0.024 4.869 10.877 1.00 0.70 O ATOM 761 CB SER A 50 -1.240 2.152 9.917 1.00 0.73 C ATOM 762 OG SER A 50 -2.368 2.995 10.086 1.00 1.23 O ATOM 0 H SER A 50 0.786 1.073 9.035 1.00 0.48 H new ATOM 0 HA SER A 50 -0.347 3.614 8.648 1.00 0.58 H new ATOM 0 HB2 SER A 50 -1.470 1.373 9.190 1.00 0.73 H new ATOM 0 HB3 SER A 50 -1.011 1.652 10.858 1.00 0.73 H new ATOM 0 HG SER A 50 -3.134 2.461 10.384 1.00 1.23 H new ATOM 768 N SER A 51 1.607 3.303 11.180 1.00 0.64 N ATOM 769 CA SER A 51 2.196 4.013 12.273 1.00 0.75 C ATOM 770 C SER A 51 3.435 4.791 11.853 1.00 0.72 C ATOM 771 O SER A 51 3.860 5.740 12.512 1.00 0.85 O ATOM 772 CB SER A 51 2.537 3.061 13.408 1.00 0.90 C ATOM 773 OG SER A 51 2.516 3.728 14.660 1.00 1.34 O ATOM 0 H SER A 51 2.071 2.430 10.930 1.00 0.64 H new ATOM 0 HA SER A 51 1.456 4.735 12.619 1.00 0.75 H new ATOM 0 HB2 SER A 51 1.825 2.236 13.420 1.00 0.90 H new ATOM 0 HB3 SER A 51 3.523 2.629 13.240 1.00 0.90 H new ATOM 0 HG SER A 51 2.737 3.093 15.373 1.00 1.34 H new ATOM 779 N LYS A 52 3.979 4.373 10.741 1.00 0.62 N ATOM 780 CA LYS A 52 5.303 4.728 10.321 1.00 0.66 C ATOM 781 C LYS A 52 5.342 5.885 9.349 1.00 0.67 C ATOM 782 O LYS A 52 5.709 6.996 9.724 1.00 1.09 O ATOM 783 CB LYS A 52 5.854 3.496 9.788 1.00 0.65 C ATOM 784 CG LYS A 52 5.974 2.576 10.950 1.00 0.70 C ATOM 785 CD LYS A 52 6.650 1.385 10.505 1.00 0.78 C ATOM 786 CE LYS A 52 7.188 0.525 11.627 1.00 1.02 C ATOM 787 NZ LYS A 52 6.188 0.310 12.713 1.00 1.40 N ATOM 0 H LYS A 52 3.497 3.758 10.085 1.00 0.62 H new ATOM 0 HA LYS A 52 5.901 5.110 11.149 1.00 0.66 H new ATOM 0 HB2 LYS A 52 5.204 3.076 9.021 1.00 0.65 H new ATOM 0 HB3 LYS A 52 6.825 3.669 9.323 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.531 3.052 11.757 1.00 0.70 H new ATOM 0 HG3 LYS A 52 4.988 2.330 11.345 1.00 0.70 H new ATOM 0 HD2 LYS A 52 5.960 0.791 9.905 1.00 0.78 H new ATOM 0 HD3 LYS A 52 7.475 1.671 9.853 1.00 0.78 H new ATOM 0 HE2 LYS A 52 7.496 -0.440 11.225 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.078 0.995 12.045 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 6.554 -0.391 13.388 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 6.014 1.208 13.207 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 5.298 -0.037 12.302 1.00 1.40 H new ATOM 801 N VAL A 53 5.027 5.564 8.106 1.00 0.34 N ATOM 802 CA VAL A 53 4.627 6.497 7.068 1.00 0.32 C ATOM 803 C VAL A 53 5.094 7.923 7.297 1.00 0.33 C ATOM 804 O VAL A 53 4.496 8.699 8.046 1.00 0.37 O ATOM 805 CB VAL A 53 3.112 6.377 6.935 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.466 7.501 6.151 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.814 5.078 6.259 1.00 0.35 C ATOM 0 H VAL A 53 5.044 4.598 7.778 1.00 0.34 H new ATOM 0 HA VAL A 53 5.120 6.235 6.132 1.00 0.32 H new ATOM 0 HB VAL A 53 2.694 6.432 7.940 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.389 7.339 6.104 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.669 8.452 6.644 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.875 7.522 5.141 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.736 4.964 6.150 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.282 5.064 5.275 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.207 4.257 6.859 1.00 0.35 H new ATOM 817 N GLY A 54 6.184 8.246 6.639 1.00 0.35 N ATOM 818 CA GLY A 54 6.818 9.528 6.865 1.00 0.41 C ATOM 819 C GLY A 54 7.447 10.130 5.627 1.00 0.44 C ATOM 820 O GLY A 54 7.022 9.856 4.510 1.00 0.70 O ATOM 0 H GLY A 54 6.646 7.650 5.952 1.00 0.35 H new ATOM 0 HA2 GLY A 54 6.077 10.224 7.259 1.00 0.41 H new ATOM 0 HA3 GLY A 54 7.585 9.412 7.630 1.00 0.41 H new ATOM 824 N GLN A 55 8.496 10.918 5.837 1.00 0.36 N ATOM 825 CA GLN A 55 9.097 11.737 4.783 1.00 0.43 C ATOM 826 C GLN A 55 9.664 10.887 3.645 1.00 0.39 C ATOM 827 O GLN A 55 9.732 11.332 2.503 1.00 0.50 O ATOM 828 CB GLN A 55 10.180 12.639 5.398 1.00 0.61 C ATOM 829 CG GLN A 55 10.731 13.706 4.458 1.00 1.43 C ATOM 830 CD GLN A 55 11.908 13.232 3.621 1.00 2.08 C ATOM 831 OE1 GLN A 55 12.097 13.682 2.492 1.00 2.75 O ATOM 832 NE2 GLN A 55 12.716 12.341 4.176 1.00 2.69 N ATOM 0 H GLN A 55 8.956 11.009 6.743 1.00 0.36 H new ATOM 0 HA GLN A 55 8.317 12.358 4.342 1.00 0.43 H new ATOM 0 HB2 GLN A 55 9.767 13.129 6.280 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.005 12.013 5.738 1.00 0.61 H new ATOM 0 HG2 GLN A 55 9.934 14.039 3.793 1.00 1.43 H new ATOM 0 HG3 GLN A 55 11.039 14.571 5.045 1.00 1.43 H new ATOM 0 HE21 GLN A 55 12.523 11.993 5.115 1.00 2.69 H new ATOM 0 HE22 GLN A 55 13.531 12.003 3.664 1.00 2.69 H new ATOM 841 N HIS A 56 10.055 9.657 3.948 1.00 0.36 N ATOM 842 CA HIS A 56 10.606 8.775 2.920 1.00 0.41 C ATOM 843 C HIS A 56 9.528 7.915 2.291 1.00 0.35 C ATOM 844 O HIS A 56 9.529 7.700 1.098 1.00 0.42 O ATOM 845 CB HIS A 56 11.739 7.911 3.485 1.00 0.54 C ATOM 846 CG HIS A 56 11.423 7.194 4.764 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.552 6.130 4.844 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.873 7.405 6.022 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.475 5.721 6.099 1.00 1.11 C ATOM 850 NE2 HIS A 56 11.273 6.476 6.834 1.00 1.33 N ATOM 0 H HIS A 56 10.004 9.249 4.881 1.00 0.36 H new ATOM 0 HA HIS A 56 11.023 9.406 2.135 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.020 7.173 2.734 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.610 8.545 3.649 1.00 0.54 H new ATOM 0 HD2 HIS A 56 12.575 8.165 6.331 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.864 4.908 6.462 1.00 1.11 H new ATOM 0 HE2 HIS A 56 11.419 6.383 7.839 1.00 1.33 H new ATOM 859 N LEU A 57 8.602 7.443 3.087 1.00 0.28 N ATOM 860 CA LEU A 57 7.432 6.787 2.565 1.00 0.25 C ATOM 861 C LEU A 57 6.218 7.368 3.210 1.00 0.23 C ATOM 862 O LEU A 57 5.930 7.107 4.367 1.00 0.29 O ATOM 863 CB LEU A 57 7.548 5.269 2.734 1.00 0.38 C ATOM 864 CG LEU A 57 6.316 4.400 3.155 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.015 4.814 2.463 1.00 1.11 C ATOM 866 CD2 LEU A 57 6.585 2.950 2.849 1.00 1.10 C ATOM 0 H LEU A 57 8.637 7.502 4.105 1.00 0.28 H new ATOM 0 HA LEU A 57 7.343 6.960 1.492 1.00 0.25 H new ATOM 0 HB2 LEU A 57 7.908 4.871 1.786 1.00 0.38 H new ATOM 0 HB3 LEU A 57 8.330 5.091 3.472 1.00 0.38 H new ATOM 0 HG LEU A 57 6.182 4.559 4.225 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.203 4.171 2.801 1.00 1.11 H new ATOM 0 HD12 LEU A 57 4.785 5.850 2.711 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.130 4.717 1.383 1.00 1.11 H new ATOM 0 HD21 LEU A 57 5.724 2.350 3.144 1.00 1.10 H new ATOM 0 HD22 LEU A 57 6.761 2.830 1.780 1.00 1.10 H new ATOM 0 HD23 LEU A 57 7.465 2.619 3.401 1.00 1.10 H new ATOM 878 N GLN A 58 5.521 8.158 2.433 1.00 0.20 N ATOM 879 CA GLN A 58 4.248 8.642 2.797 1.00 0.21 C ATOM 880 C GLN A 58 3.241 7.702 2.200 1.00 0.18 C ATOM 881 O GLN A 58 3.143 7.548 0.985 1.00 0.19 O ATOM 882 CB GLN A 58 4.006 10.049 2.239 1.00 0.27 C ATOM 883 CG GLN A 58 5.163 11.023 2.395 1.00 0.46 C ATOM 884 CD GLN A 58 6.213 10.902 1.312 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.093 11.508 0.248 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.265 10.158 1.594 1.00 0.28 N ATOM 0 H GLN A 58 5.842 8.478 1.519 1.00 0.20 H new ATOM 0 HA GLN A 58 4.169 8.697 3.883 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.766 9.964 1.179 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.130 10.471 2.732 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.772 12.040 2.397 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.634 10.861 3.365 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.322 9.673 2.490 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.022 10.067 0.916 1.00 0.28 H new ATOM 895 N LEU A 59 2.529 7.081 3.064 1.00 0.20 N ATOM 896 CA LEU A 59 1.396 6.284 2.702 1.00 0.20 C ATOM 897 C LEU A 59 0.214 7.219 2.776 1.00 0.21 C ATOM 898 O LEU A 59 -0.351 7.465 3.840 1.00 0.23 O ATOM 899 CB LEU A 59 1.248 5.093 3.673 1.00 0.23 C ATOM 900 CG LEU A 59 0.315 3.948 3.304 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.068 3.178 4.573 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.972 4.439 2.674 1.00 0.23 C ATOM 0 H LEU A 59 2.713 7.107 4.067 1.00 0.20 H new ATOM 0 HA LEU A 59 1.490 5.851 1.706 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.241 4.671 3.829 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.917 5.491 4.632 1.00 0.23 H new ATOM 0 HG LEU A 59 0.769 3.309 2.546 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.598 2.341 4.367 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.015 2.801 4.960 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.391 3.834 5.313 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.605 3.586 2.428 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.495 5.089 3.375 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.743 4.995 1.765 1.00 0.23 H new ATOM 914 N HIS A 60 -0.096 7.787 1.646 1.00 0.22 N ATOM 915 CA HIS A 60 -1.185 8.665 1.508 1.00 0.25 C ATOM 916 C HIS A 60 -2.382 7.918 1.050 1.00 0.24 C ATOM 917 O HIS A 60 -2.316 6.801 0.555 1.00 0.26 O ATOM 918 CB HIS A 60 -0.907 9.771 0.511 1.00 0.37 C ATOM 919 CG HIS A 60 0.077 10.795 0.960 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.876 11.484 0.085 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.352 11.285 2.188 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.603 12.357 0.751 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.305 12.259 2.035 1.00 2.03 N ATOM 0 H HIS A 60 0.425 7.638 0.782 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.356 9.113 2.487 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.544 9.322 -0.414 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.846 10.271 0.276 1.00 0.37 H new ATOM 0 HD1 HIS A 60 0.903 11.343 -0.925 1.00 1.48 H new ATOM 0 HD2 HIS A 60 -0.096 10.968 3.118 1.00 1.65 H new ATOM 0 HE1 HIS A 60 2.322 13.038 0.320 1.00 1.91 H new ATOM 932 N ASP A 61 -3.452 8.569 1.259 1.00 0.29 N ATOM 933 CA ASP A 61 -4.729 8.161 0.800 1.00 0.32 C ATOM 934 C ASP A 61 -5.404 9.327 0.160 1.00 0.35 C ATOM 935 O ASP A 61 -5.717 10.341 0.784 1.00 0.48 O ATOM 936 CB ASP A 61 -5.601 7.592 1.887 1.00 0.44 C ATOM 937 CG ASP A 61 -5.638 8.408 3.168 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.675 8.325 3.962 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.612 9.160 3.374 1.00 0.92 O ATOM 0 H ASP A 61 -3.472 9.446 1.780 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.577 7.356 0.082 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.617 7.496 1.505 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.253 6.587 2.123 1.00 0.44 H new ATOM 944 N SER A 62 -5.544 9.184 -1.107 1.00 0.29 N ATOM 945 CA SER A 62 -6.206 10.162 -1.922 1.00 0.32 C ATOM 946 C SER A 62 -7.674 9.857 -1.934 1.00 0.32 C ATOM 947 O SER A 62 -8.081 8.698 -1.857 1.00 0.41 O ATOM 948 CB SER A 62 -5.654 10.187 -3.337 1.00 0.40 C ATOM 949 OG SER A 62 -4.236 10.129 -3.333 1.00 0.47 O ATOM 0 H SER A 62 -5.200 8.375 -1.625 1.00 0.29 H new ATOM 0 HA SER A 62 -6.030 11.151 -1.499 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.054 9.345 -3.902 1.00 0.40 H new ATOM 0 HB3 SER A 62 -5.983 11.095 -3.843 1.00 0.40 H new ATOM 0 HG SER A 62 -3.905 10.145 -4.255 1.00 0.47 H new ATOM 955 N TYR A 63 -8.459 10.887 -2.048 1.00 0.38 N ATOM 956 CA TYR A 63 -9.865 10.765 -1.824 1.00 0.45 C ATOM 957 C TYR A 63 -10.620 11.299 -2.996 1.00 0.47 C ATOM 958 O TYR A 63 -10.840 12.503 -3.145 1.00 0.54 O ATOM 959 CB TYR A 63 -10.234 11.479 -0.539 1.00 0.64 C ATOM 960 CG TYR A 63 -11.697 11.443 -0.156 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.307 10.252 0.223 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.477 12.588 -0.216 1.00 0.87 C ATOM 963 CE1 TYR A 63 -13.652 10.207 0.539 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.822 12.551 0.089 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.364 11.395 0.626 1.00 1.07 C ATOM 966 OH TYR A 63 -15.749 11.325 0.764 1.00 1.39 O ATOM 0 H TYR A 63 -8.145 11.825 -2.296 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.135 9.714 -1.716 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -9.655 11.042 0.275 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.927 12.521 -0.625 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -11.720 9.347 0.271 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.024 13.524 -0.506 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.142 9.261 0.716 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.446 13.414 -0.089 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.119 12.231 0.814 1.00 1.39 H new ATOM 976 N ASP A 64 -10.994 10.377 -3.830 1.00 0.47 N ATOM 977 CA ASP A 64 -11.781 10.676 -4.991 1.00 0.57 C ATOM 978 C ASP A 64 -13.120 10.028 -4.838 1.00 0.57 C ATOM 979 O ASP A 64 -13.297 8.853 -5.125 1.00 0.63 O ATOM 980 CB ASP A 64 -11.115 10.154 -6.232 1.00 0.71 C ATOM 981 CG ASP A 64 -10.597 11.246 -7.149 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.963 12.194 -6.640 1.00 2.42 O ATOM 983 OD2 ASP A 64 -10.812 11.157 -8.375 1.00 2.00 O ATOM 0 H ASP A 64 -10.761 9.389 -3.725 1.00 0.47 H new ATOM 0 HA ASP A 64 -11.887 11.757 -5.085 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -10.285 9.509 -5.945 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.824 9.535 -6.782 1.00 0.71 H new ATOM 988 N ARG A 65 -14.043 10.785 -4.353 1.00 0.60 N ATOM 989 CA ARG A 65 -15.372 10.286 -4.086 1.00 0.64 C ATOM 990 C ARG A 65 -16.213 10.324 -5.342 1.00 0.74 C ATOM 991 O ARG A 65 -17.119 9.513 -5.528 1.00 0.88 O ATOM 992 CB ARG A 65 -16.010 11.075 -2.957 1.00 0.74 C ATOM 993 CG ARG A 65 -16.350 10.173 -1.801 1.00 0.86 C ATOM 994 CD ARG A 65 -17.256 9.063 -2.282 1.00 1.00 C ATOM 995 NE ARG A 65 -18.664 9.376 -2.045 1.00 1.19 N ATOM 996 CZ ARG A 65 -19.641 9.160 -2.921 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.360 8.788 -4.165 1.00 2.46 N ATOM 998 NH2 ARG A 65 -20.897 9.376 -2.568 1.00 2.07 N ATOM 0 H ARG A 65 -13.910 11.770 -4.126 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.306 9.245 -3.768 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -15.329 11.859 -2.625 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -16.913 11.569 -3.317 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -15.440 9.754 -1.372 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -16.841 10.743 -1.013 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.094 8.896 -3.347 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -16.998 8.135 -1.771 1.00 1.00 H new ATOM 0 HE ARG A 65 -18.914 9.788 -1.146 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.389 8.666 -4.454 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.115 8.624 -4.831 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.113 9.707 -1.628 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -21.650 9.212 -3.236 1.00 2.07 H new ATOM 1012 N ALA A 66 -15.859 11.244 -6.208 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.449 11.338 -7.534 1.00 0.93 C ATOM 1014 C ALA A 66 -16.001 10.157 -8.384 1.00 0.83 C ATOM 1015 O ALA A 66 -16.601 9.839 -9.409 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.057 12.646 -8.200 1.00 1.15 C ATOM 0 H ALA A 66 -15.152 11.954 -6.018 1.00 0.80 H new ATOM 0 HA ALA A 66 -17.534 11.315 -7.438 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -16.507 12.699 -9.191 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -16.410 13.482 -7.596 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -14.972 12.697 -8.291 1.00 1.15 H new ATOM 1022 N SER A 67 -14.938 9.515 -7.937 1.00 0.72 N ATOM 1023 CA SER A 67 -14.430 8.322 -8.579 1.00 0.72 C ATOM 1024 C SER A 67 -14.716 7.130 -7.689 1.00 0.58 C ATOM 1025 O SER A 67 -14.646 5.983 -8.126 1.00 0.63 O ATOM 1026 CB SER A 67 -12.930 8.457 -8.844 1.00 0.83 C ATOM 1027 OG SER A 67 -12.653 9.628 -9.599 1.00 1.41 O ATOM 0 H SER A 67 -14.404 9.808 -7.119 1.00 0.72 H new ATOM 0 HA SER A 67 -14.924 8.181 -9.540 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.391 8.494 -7.897 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.571 7.579 -9.381 1.00 0.83 H new ATOM 0 HG SER A 67 -11.829 10.043 -9.269 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.051 7.430 -6.429 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.400 6.413 -5.454 1.00 0.50 C ATOM 1035 C LYS A 68 -14.180 5.533 -5.179 1.00 0.44 C ATOM 1036 O LYS A 68 -14.296 4.338 -4.945 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.570 5.587 -5.989 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.188 4.612 -4.998 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.218 5.256 -4.073 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.608 5.773 -2.775 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.662 6.071 -1.760 1.00 3.31 N ATOM 0 H LYS A 68 -15.085 8.383 -6.066 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.704 6.876 -4.515 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.347 6.270 -6.334 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.229 5.027 -6.859 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.663 3.799 -5.548 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.396 4.169 -4.394 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.702 6.081 -4.595 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.994 4.528 -3.839 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.915 5.032 -2.376 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.029 6.674 -2.977 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -18.244 6.606 -0.972 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -19.417 6.635 -2.199 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -19.060 5.180 -1.401 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.005 6.148 -5.193 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.768 5.447 -4.956 1.00 0.31 C ATOM 1057 C VAL A 69 -10.938 6.207 -3.949 1.00 0.29 C ATOM 1058 O VAL A 69 -10.837 7.436 -3.994 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.903 5.293 -6.224 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.845 4.225 -6.019 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.748 4.979 -7.450 1.00 0.43 C ATOM 0 H VAL A 69 -12.892 7.146 -5.370 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.049 4.456 -4.600 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.409 6.248 -6.402 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.244 4.130 -6.923 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.202 4.505 -5.184 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.327 3.272 -5.802 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.101 4.878 -8.322 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.289 4.046 -7.290 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.460 5.787 -7.618 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.374 5.467 -3.043 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.324 5.959 -2.208 1.00 0.25 C ATOM 1073 C TYR A 70 -8.040 5.419 -2.767 1.00 0.22 C ATOM 1074 O TYR A 70 -7.830 4.206 -2.822 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.440 5.496 -0.766 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.830 5.557 -0.185 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.517 6.761 -0.132 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.465 4.418 0.292 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -12.791 6.832 0.387 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.742 4.482 0.815 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.381 5.652 0.913 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.671 5.761 1.389 1.00 0.93 O ATOM 0 H TYR A 70 -10.633 4.497 -2.862 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.372 7.048 -2.200 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.080 4.469 -0.700 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.779 6.106 -0.150 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.045 7.658 -0.504 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.953 3.468 0.254 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.331 7.767 0.394 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.229 3.577 1.148 1.00 1.24 H new ATOM 0 HH TYR A 70 -14.971 4.890 1.723 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.205 6.303 -3.203 1.00 0.20 N ATOM 1093 CA LEU A 71 -5.915 5.908 -3.690 1.00 0.19 C ATOM 1094 C LEU A 71 -4.931 6.046 -2.582 1.00 0.20 C ATOM 1095 O LEU A 71 -4.498 7.133 -2.230 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.426 6.724 -4.886 1.00 0.25 C ATOM 1097 CG LEU A 71 -3.928 6.523 -5.190 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.621 5.065 -5.504 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.457 7.415 -6.321 1.00 0.52 C ATOM 0 H LEU A 71 -7.388 7.306 -3.234 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.008 4.878 -4.034 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.008 6.450 -5.766 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.613 7.781 -4.696 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.381 6.807 -4.291 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.557 4.954 -5.714 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.888 4.445 -4.649 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.197 4.751 -6.374 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.396 7.242 -6.503 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.022 7.186 -7.224 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.613 8.459 -6.050 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.578 4.934 -2.053 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.506 4.863 -1.135 1.00 0.21 C ATOM 1113 C PHE A 72 -2.247 4.817 -1.951 1.00 0.23 C ATOM 1114 O PHE A 72 -1.966 3.860 -2.667 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.633 3.634 -0.274 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.806 3.649 0.657 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.047 3.212 0.230 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.667 4.090 1.966 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.131 3.216 1.085 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.747 4.097 2.826 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.981 3.660 2.385 1.00 0.30 C ATOM 0 H PHE A 72 -5.029 4.040 -2.247 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.502 5.722 -0.464 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.708 2.759 -0.920 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.721 3.520 0.312 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.169 2.863 -0.785 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.704 4.431 2.315 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.095 2.873 0.738 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.627 4.444 3.842 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.828 3.665 3.055 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.518 5.867 -1.844 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.345 6.071 -2.648 1.00 0.26 C ATOM 1133 C GLU A 73 0.860 6.198 -1.784 1.00 0.20 C ATOM 1134 O GLU A 73 0.956 7.072 -0.917 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.460 7.290 -3.556 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.121 8.496 -2.900 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.433 9.801 -3.238 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.542 10.253 -4.399 1.00 1.09 O ATOM 1139 OE2 GLU A 73 0.216 10.390 -2.353 1.00 1.32 O ATOM 0 H GLU A 73 -1.712 6.625 -1.190 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.248 5.195 -3.290 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.537 7.574 -3.892 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.030 7.016 -4.444 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.163 8.549 -3.215 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -1.121 8.360 -1.818 1.00 0.59 H new ATOM 1146 N LEU A 74 1.772 5.308 -2.025 1.00 0.21 N ATOM 1147 CA LEU A 74 3.012 5.314 -1.334 1.00 0.21 C ATOM 1148 C LEU A 74 3.938 6.183 -2.087 1.00 0.20 C ATOM 1149 O LEU A 74 4.177 5.997 -3.283 1.00 0.25 O ATOM 1150 CB LEU A 74 3.652 3.944 -1.249 1.00 0.27 C ATOM 1151 CG LEU A 74 2.856 2.878 -0.503 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.713 2.198 0.535 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.603 3.443 0.151 1.00 0.96 C ATOM 0 H LEU A 74 1.672 4.558 -2.709 1.00 0.21 H new ATOM 0 HA LEU A 74 2.822 5.660 -0.318 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.837 3.588 -2.262 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.623 4.048 -0.766 1.00 0.27 H new ATOM 0 HG LEU A 74 2.540 2.146 -1.246 1.00 0.27 H new ATOM 0 HD11 LEU A 74 3.124 1.442 1.054 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.566 1.724 0.049 1.00 0.85 H new ATOM 0 HD13 LEU A 74 4.070 2.937 1.253 1.00 0.85 H new ATOM 0 HD21 LEU A 74 1.072 2.645 0.669 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.883 4.216 0.866 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.956 3.873 -0.613 1.00 0.96 H new ATOM 1165 N HIS A 75 4.456 7.113 -1.398 1.00 0.18 N ATOM 1166 CA HIS A 75 5.518 7.883 -1.949 1.00 0.19 C ATOM 1167 C HIS A 75 6.706 7.482 -1.156 1.00 0.19 C ATOM 1168 O HIS A 75 6.925 7.975 -0.058 1.00 0.19 O ATOM 1169 CB HIS A 75 5.253 9.393 -1.847 1.00 0.23 C ATOM 1170 CG HIS A 75 4.211 9.905 -2.807 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.267 11.157 -3.387 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.074 9.337 -3.278 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.216 11.330 -4.165 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.474 10.242 -4.118 1.00 0.94 N ATOM 0 H HIS A 75 4.173 7.370 -0.452 1.00 0.18 H new ATOM 0 HA HIS A 75 5.645 7.698 -3.016 1.00 0.19 H new ATOM 0 HB2 HIS A 75 4.939 9.627 -0.830 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.187 9.927 -2.024 1.00 0.23 H new ATOM 0 HD1 HIS A 75 5.007 11.843 -3.237 1.00 1.01 H new ATOM 0 HD2 HIS A 75 2.706 8.351 -3.036 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.000 12.216 -4.744 1.00 0.88 H new ATOM 1183 N ILE A 76 7.448 6.550 -1.691 1.00 0.21 N ATOM 1184 CA ILE A 76 8.536 6.007 -0.953 1.00 0.23 C ATOM 1185 C ILE A 76 9.824 6.245 -1.677 1.00 0.25 C ATOM 1186 O ILE A 76 10.215 5.533 -2.573 1.00 0.28 O ATOM 1187 CB ILE A 76 8.372 4.518 -0.742 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.987 4.156 -0.239 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.448 3.985 0.205 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.795 2.667 -0.280 1.00 0.52 C ATOM 0 H ILE A 76 7.315 6.160 -2.624 1.00 0.21 H new ATOM 0 HA ILE A 76 8.550 6.505 0.016 1.00 0.23 H new ATOM 0 HB ILE A 76 8.493 4.042 -1.715 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.855 4.519 0.780 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.230 4.645 -0.852 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.312 2.912 0.343 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.433 4.174 -0.221 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.366 4.488 1.168 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.798 2.419 0.083 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.906 2.314 -1.305 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.542 2.186 0.352 1.00 0.52 H new ATOM 1202 N THR A 77 10.493 7.220 -1.239 1.00 0.24 N ATOM 1203 CA THR A 77 11.717 7.593 -1.782 1.00 0.26 C ATOM 1204 C THR A 77 12.749 7.405 -0.740 1.00 0.36 C ATOM 1205 O THR A 77 12.507 7.602 0.455 1.00 0.58 O ATOM 1206 CB THR A 77 11.689 9.030 -2.273 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.612 9.946 -1.168 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.480 9.199 -3.151 1.00 0.37 C ATOM 0 H THR A 77 10.190 7.805 -0.460 1.00 0.24 H new ATOM 0 HA THR A 77 11.943 6.974 -2.650 1.00 0.26 H new ATOM 0 HB THR A 77 12.603 9.244 -2.827 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.597 10.866 -1.506 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.437 10.225 -3.517 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.546 8.514 -3.997 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.580 8.981 -2.577 1.00 0.37 H new ATOM 1216 N ASP A 78 13.836 6.921 -1.214 1.00 0.30 N ATOM 1217 CA ASP A 78 15.003 6.655 -0.391 1.00 0.45 C ATOM 1218 C ASP A 78 14.736 5.412 0.423 1.00 0.45 C ATOM 1219 O ASP A 78 14.540 5.421 1.640 1.00 0.70 O ATOM 1220 CB ASP A 78 15.306 7.854 0.480 1.00 0.61 C ATOM 1221 CG ASP A 78 16.403 7.640 1.508 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.591 7.612 1.120 1.00 1.97 O ATOM 1223 OD2 ASP A 78 16.086 7.548 2.718 1.00 2.12 O ATOM 0 H ASP A 78 13.963 6.687 -2.199 1.00 0.30 H new ATOM 0 HA ASP A 78 15.883 6.483 -1.010 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.588 8.688 -0.162 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.394 8.146 1.000 1.00 0.61 H new ATOM 1228 N ALA A 79 14.612 4.360 -0.321 1.00 0.37 N ATOM 1229 CA ALA A 79 14.444 3.036 0.227 1.00 0.34 C ATOM 1230 C ALA A 79 15.754 2.574 0.826 1.00 0.38 C ATOM 1231 O ALA A 79 16.745 2.407 0.115 1.00 0.40 O ATOM 1232 CB ALA A 79 13.972 2.064 -0.846 1.00 0.34 C ATOM 0 H ALA A 79 14.624 4.388 -1.341 1.00 0.37 H new ATOM 0 HA ALA A 79 13.683 3.065 1.006 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.852 1.072 -0.411 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.017 2.402 -1.248 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.709 2.022 -1.648 1.00 0.34 H new ATOM 1238 N GLN A 80 15.766 2.428 2.138 1.00 0.47 N ATOM 1239 CA GLN A 80 16.927 1.920 2.831 1.00 0.55 C ATOM 1240 C GLN A 80 17.207 0.491 2.365 1.00 0.43 C ATOM 1241 O GLN A 80 16.280 -0.233 1.999 1.00 0.43 O ATOM 1242 CB GLN A 80 16.692 1.967 4.341 1.00 0.74 C ATOM 1243 CG GLN A 80 16.272 0.637 4.938 1.00 0.78 C ATOM 1244 CD GLN A 80 16.924 0.401 6.274 1.00 1.06 C ATOM 1245 OE1 GLN A 80 16.344 0.681 7.318 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.153 -0.092 6.243 1.00 1.43 N ATOM 0 H GLN A 80 14.978 2.656 2.745 1.00 0.47 H new ATOM 0 HA GLN A 80 17.795 2.539 2.603 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.606 2.302 4.831 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.924 2.710 4.557 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.188 0.614 5.052 1.00 0.78 H new ATOM 0 HG3 GLN A 80 16.538 -0.170 4.255 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.593 -0.309 5.349 1.00 1.43 H new ATOM 0 HE22 GLN A 80 18.659 -0.255 7.113 1.00 1.43 H new ATOM 1255 N PRO A 81 18.474 0.051 2.405 1.00 0.42 N ATOM 1256 CA PRO A 81 18.901 -1.213 1.776 1.00 0.44 C ATOM 1257 C PRO A 81 18.435 -2.463 2.518 1.00 0.54 C ATOM 1258 O PRO A 81 18.888 -3.573 2.228 1.00 1.33 O ATOM 1259 CB PRO A 81 20.422 -1.122 1.829 1.00 0.50 C ATOM 1260 CG PRO A 81 20.706 -0.274 3.017 1.00 0.57 C ATOM 1261 CD PRO A 81 19.597 0.739 3.070 1.00 0.49 C ATOM 0 HA PRO A 81 18.476 -1.316 0.777 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.875 -2.108 1.929 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.824 -0.677 0.919 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.733 -0.873 3.928 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.677 0.213 2.927 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.350 1.012 4.096 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.868 1.659 2.552 1.00 0.49 H new ATOM 1269 N ALA A 82 17.542 -2.285 3.471 1.00 0.81 N ATOM 1270 CA ALA A 82 17.012 -3.408 4.219 1.00 0.88 C ATOM 1271 C ALA A 82 15.514 -3.528 4.013 1.00 0.77 C ATOM 1272 O ALA A 82 14.900 -4.489 4.452 1.00 0.91 O ATOM 1273 CB ALA A 82 17.347 -3.272 5.700 1.00 1.12 C ATOM 0 H ALA A 82 17.169 -1.376 3.745 1.00 0.81 H new ATOM 0 HA ALA A 82 17.479 -4.320 3.848 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.941 -4.124 6.245 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.429 -3.243 5.827 1.00 1.12 H new ATOM 0 HB3 ALA A 82 16.911 -2.352 6.089 1.00 1.12 H new ATOM 1279 N PHE A 83 14.942 -2.574 3.280 1.00 0.64 N ATOM 1280 CA PHE A 83 13.506 -2.508 3.085 1.00 0.68 C ATOM 1281 C PHE A 83 13.101 -3.498 1.989 1.00 0.76 C ATOM 1282 O PHE A 83 11.938 -3.548 1.595 1.00 1.24 O ATOM 1283 CB PHE A 83 13.126 -1.092 2.638 1.00 0.74 C ATOM 1284 CG PHE A 83 12.750 -0.108 3.726 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.332 -0.574 4.969 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.849 1.262 3.536 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.012 0.311 5.989 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.528 2.146 4.553 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.005 1.735 5.682 1.00 0.88 C ATOM 0 H PHE A 83 15.462 -1.833 2.810 1.00 0.64 H new ATOM 0 HA PHE A 83 12.997 -2.755 4.016 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.965 -0.676 2.079 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.288 -1.168 1.945 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.256 -1.637 5.142 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.181 1.645 2.582 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.775 -0.045 6.981 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.713 3.201 4.412 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.575 2.442 6.375 1.00 0.88 H new ATOM 1299 N THR A 84 14.102 -4.210 1.453 1.00 0.55 N ATOM 1300 CA THR A 84 13.895 -5.288 0.522 1.00 0.58 C ATOM 1301 C THR A 84 12.920 -6.253 1.085 1.00 0.80 C ATOM 1302 O THR A 84 13.233 -7.101 1.926 1.00 1.22 O ATOM 1303 CB THR A 84 15.152 -6.095 0.177 1.00 0.97 C ATOM 1304 OG1 THR A 84 16.142 -5.277 -0.451 1.00 1.10 O ATOM 1305 CG2 THR A 84 14.766 -7.242 -0.745 1.00 1.17 C ATOM 0 H THR A 84 15.084 -4.038 1.667 1.00 0.55 H new ATOM 0 HA THR A 84 13.547 -4.801 -0.389 1.00 0.58 H new ATOM 0 HB THR A 84 15.581 -6.483 1.101 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.932 -5.819 -0.657 1.00 1.10 H new ATOM 0 HG21 THR A 84 15.654 -7.822 -0.996 1.00 1.17 H new ATOM 0 HG22 THR A 84 14.043 -7.885 -0.243 1.00 1.17 H new ATOM 0 HG23 THR A 84 14.324 -6.842 -1.658 1.00 1.17 H new ATOM 1313 N GLY A 85 11.742 -6.091 0.638 1.00 0.87 N ATOM 1314 CA GLY A 85 10.720 -7.013 1.026 1.00 1.43 C ATOM 1315 C GLY A 85 9.503 -6.937 0.184 1.00 0.96 C ATOM 1316 O GLY A 85 9.542 -7.118 -1.029 1.00 1.29 O ATOM 0 H GLY A 85 11.447 -5.343 0.010 1.00 0.87 H new ATOM 0 HA2 GLY A 85 11.120 -8.026 0.982 1.00 1.43 H new ATOM 0 HA3 GLY A 85 10.446 -6.824 2.064 1.00 1.43 H new ATOM 1320 N GLY A 86 8.438 -6.625 0.845 1.00 0.52 N ATOM 1321 CA GLY A 86 7.147 -6.672 0.249 1.00 0.52 C ATOM 1322 C GLY A 86 6.142 -5.936 1.077 1.00 0.40 C ATOM 1323 O GLY A 86 5.955 -6.206 2.261 1.00 0.43 O ATOM 0 H GLY A 86 8.441 -6.328 1.821 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.188 -6.237 -0.749 1.00 0.52 H new ATOM 0 HA3 GLY A 86 6.835 -7.710 0.132 1.00 0.52 H new ATOM 1327 N TYR A 87 5.539 -4.972 0.454 1.00 0.34 N ATOM 1328 CA TYR A 87 4.521 -4.175 1.082 1.00 0.28 C ATOM 1329 C TYR A 87 3.183 -4.873 0.898 1.00 0.30 C ATOM 1330 O TYR A 87 2.801 -5.214 -0.221 1.00 0.39 O ATOM 1331 CB TYR A 87 4.486 -2.783 0.462 1.00 0.35 C ATOM 1332 CG TYR A 87 5.787 -2.014 0.555 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.944 -2.543 0.019 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.866 -0.777 1.193 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.141 -1.873 0.116 1.00 0.49 C ATOM 1336 CE2 TYR A 87 7.064 -0.099 1.286 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.147 -0.559 0.703 1.00 0.54 C ATOM 1338 OH TYR A 87 9.403 0.008 0.852 1.00 0.63 O ATOM 0 H TYR A 87 5.738 -4.711 -0.512 1.00 0.34 H new ATOM 0 HA TYR A 87 4.736 -4.064 2.145 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.209 -2.875 -0.588 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.702 -2.203 0.949 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.909 -3.498 -0.484 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.975 -0.342 1.621 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.056 -2.323 -0.240 1.00 0.49 H new ATOM 0 HE2 TYR A 87 7.112 0.823 1.846 1.00 0.54 H new ATOM 0 HH TYR A 87 9.539 0.689 0.160 1.00 0.63 H new ATOM 1348 N ARG A 88 2.492 -5.114 1.986 1.00 0.33 N ATOM 1349 CA ARG A 88 1.222 -5.800 1.926 1.00 0.36 C ATOM 1350 C ARG A 88 0.104 -4.799 2.130 1.00 0.36 C ATOM 1351 O ARG A 88 0.178 -3.962 3.027 1.00 0.60 O ATOM 1352 CB ARG A 88 1.143 -6.878 3.010 1.00 0.42 C ATOM 1353 CG ARG A 88 1.968 -8.122 2.723 1.00 1.09 C ATOM 1354 CD ARG A 88 2.207 -8.936 3.990 1.00 1.23 C ATOM 1355 NE ARG A 88 1.011 -9.050 4.831 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.791 -10.051 5.686 1.00 2.17 C ATOM 1357 NH1 ARG A 88 1.653 -11.056 5.784 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -0.294 -10.032 6.449 1.00 3.15 N ATOM 0 H ARG A 88 2.787 -4.845 2.925 1.00 0.33 H new ATOM 0 HA ARG A 88 1.124 -6.276 0.950 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.473 -6.449 3.956 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.101 -7.170 3.139 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.455 -8.738 1.984 1.00 1.09 H new ATOM 0 HG3 ARG A 88 2.925 -7.833 2.288 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.548 -9.934 3.715 1.00 1.23 H new ATOM 0 HD3 ARG A 88 3.008 -8.473 4.567 1.00 1.23 H new ATOM 0 HE ARG A 88 0.303 -8.319 4.758 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.491 -11.067 5.203 1.00 2.11 H new ATOM 0 HH12 ARG A 88 1.477 -11.817 6.440 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -0.953 -9.256 6.380 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -0.470 -10.793 7.105 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.907 -4.846 1.293 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.102 -4.069 1.561 1.00 0.27 C ATOM 1374 C CYS A 89 -3.233 -5.011 1.881 1.00 0.25 C ATOM 1375 O CYS A 89 -3.581 -5.876 1.078 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.511 -3.199 0.388 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.135 -2.419 -0.470 1.00 1.08 S ATOM 0 H CYS A 89 -0.931 -5.401 0.437 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.881 -3.409 2.399 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -3.070 -3.807 -0.323 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -3.188 -2.423 0.745 1.00 0.39 H new ATOM 0 HG CYS A 89 -0.687 -1.427 0.240 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.794 -4.847 3.042 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.867 -5.707 3.482 1.00 0.28 C ATOM 1385 C GLU A 90 -6.110 -4.877 3.744 1.00 0.26 C ATOM 1386 O GLU A 90 -6.172 -4.142 4.730 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.444 -6.452 4.744 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.320 -7.447 4.514 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.740 -7.988 5.807 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -3.475 -8.665 6.553 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -1.551 -7.739 6.084 1.00 1.81 O ATOM 0 H GLU A 90 -3.529 -4.123 3.709 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.092 -6.438 2.705 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.129 -5.728 5.495 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.307 -6.979 5.151 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.693 -8.277 3.913 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.528 -6.967 3.939 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.079 -4.956 2.842 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.321 -4.235 3.029 1.00 0.22 C ATOM 1400 C VAL A 91 -9.396 -5.152 3.562 1.00 0.22 C ATOM 1401 O VAL A 91 -9.601 -6.276 3.084 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.818 -3.525 1.749 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.970 -4.503 0.596 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.131 -2.782 2.005 1.00 0.51 C ATOM 0 H VAL A 91 -7.027 -5.506 1.985 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.109 -3.454 3.759 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.062 -2.792 1.468 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.321 -3.971 -0.288 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.007 -4.966 0.382 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.692 -5.274 0.866 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.457 -2.292 1.087 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.893 -3.491 2.328 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.980 -2.033 2.782 1.00 0.51 H new ATOM 1414 N SER A 92 -10.074 -4.641 4.556 1.00 0.22 N ATOM 1415 CA SER A 92 -11.124 -5.365 5.224 1.00 0.25 C ATOM 1416 C SER A 92 -12.298 -4.432 5.418 1.00 0.26 C ATOM 1417 O SER A 92 -12.239 -3.486 6.204 1.00 0.30 O ATOM 1418 CB SER A 92 -10.620 -5.903 6.568 1.00 0.32 C ATOM 1419 OG SER A 92 -11.633 -6.606 7.271 1.00 1.18 O ATOM 0 H SER A 92 -9.912 -3.705 4.927 1.00 0.22 H new ATOM 0 HA SER A 92 -11.437 -6.219 4.623 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.770 -6.564 6.398 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.262 -5.075 7.179 1.00 0.32 H new ATOM 0 HG SER A 92 -11.273 -6.935 8.121 1.00 1.18 H new ATOM 1425 N THR A 93 -13.345 -4.666 4.657 1.00 0.28 N ATOM 1426 CA THR A 93 -14.520 -3.835 4.721 1.00 0.35 C ATOM 1427 C THR A 93 -15.738 -4.711 4.790 1.00 0.39 C ATOM 1428 O THR A 93 -15.621 -5.892 4.492 1.00 0.59 O ATOM 1429 CB THR A 93 -14.609 -2.961 3.478 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.293 -2.681 3.008 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.317 -1.659 3.773 1.00 0.57 C ATOM 0 H THR A 93 -13.403 -5.430 3.984 1.00 0.28 H new ATOM 0 HA THR A 93 -14.462 -3.200 5.605 1.00 0.35 H new ATOM 0 HB THR A 93 -15.179 -3.499 2.720 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.710 -2.479 3.769 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.365 -1.057 2.866 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.328 -1.866 4.125 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.770 -1.114 4.542 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.870 -4.119 5.200 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.210 -4.729 5.105 1.00 0.43 C ATOM 1441 C LYS A 94 -18.181 -6.254 5.011 1.00 0.42 C ATOM 1442 O LYS A 94 -18.403 -6.958 5.989 1.00 0.53 O ATOM 1443 CB LYS A 94 -18.965 -4.151 3.894 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.059 -3.726 2.736 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.687 -3.977 1.375 1.00 0.50 C ATOM 1446 CE LYS A 94 -18.889 -5.460 1.084 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.141 -6.008 1.669 1.00 0.65 N ATOM 0 H LYS A 94 -16.883 -3.187 5.614 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.727 -4.482 6.032 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.673 -4.896 3.532 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.547 -3.289 4.220 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -17.825 -2.666 2.833 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.115 -4.268 2.801 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -19.649 -3.467 1.324 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -18.054 -3.542 0.602 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.903 -5.613 0.005 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -18.039 -6.019 1.474 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.316 -6.959 1.286 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.046 -6.063 2.703 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.938 -5.386 1.428 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.904 -6.734 3.806 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.792 -8.137 3.529 1.00 0.40 C ATOM 1463 C ASP A 95 -16.871 -8.338 2.337 1.00 0.37 C ATOM 1464 O ASP A 95 -16.706 -9.446 1.849 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.161 -8.694 3.227 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.256 -10.197 3.403 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.838 -10.697 4.468 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.747 -10.885 2.487 1.00 1.05 O ATOM 0 H ASP A 95 -17.751 -6.141 2.990 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.378 -8.657 4.393 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.892 -8.213 3.878 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.430 -8.439 2.202 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.259 -7.247 1.875 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.369 -7.317 0.756 1.00 0.29 C ATOM 1475 C LYS A 96 -13.991 -7.529 1.311 1.00 0.27 C ATOM 1476 O LYS A 96 -13.566 -6.844 2.246 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.326 -6.049 -0.101 1.00 0.30 C ATOM 1478 CG LYS A 96 -14.695 -6.297 -1.434 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.583 -7.046 -2.407 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.870 -7.215 -3.745 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.742 -7.812 -4.787 1.00 1.29 N ATOM 0 H LYS A 96 -16.374 -6.314 2.270 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.723 -8.120 0.110 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.339 -5.673 -0.243 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.769 -5.274 0.426 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -14.415 -5.341 -1.876 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -13.774 -6.862 -1.289 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -15.841 -8.023 -1.998 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -16.517 -6.503 -2.550 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.514 -6.243 -4.088 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.992 -7.846 -3.607 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -15.593 -7.317 -5.689 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.507 -8.819 -4.902 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -16.738 -7.719 -4.501 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.320 -8.466 0.749 1.00 0.28 N ATOM 1496 CA PHE A 97 -12.007 -8.837 1.223 1.00 0.29 C ATOM 1497 C PHE A 97 -11.008 -8.935 0.093 1.00 0.32 C ATOM 1498 O PHE A 97 -11.349 -9.331 -1.021 1.00 0.47 O ATOM 1499 CB PHE A 97 -12.075 -10.168 1.945 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.987 -10.345 2.967 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.752 -10.851 2.601 1.00 0.65 C ATOM 1502 CD2 PHE A 97 -11.202 -10.007 4.294 1.00 0.62 C ATOM 1503 CE1 PHE A 97 -8.748 -11.014 3.535 1.00 0.77 C ATOM 1504 CE2 PHE A 97 -10.201 -10.170 5.234 1.00 0.75 C ATOM 1505 CZ PHE A 97 -8.976 -10.670 4.857 1.00 0.74 C ATOM 0 H PHE A 97 -13.650 -9.006 -0.051 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.673 -8.056 1.906 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -13.044 -10.258 2.436 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.012 -10.974 1.214 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -9.571 -11.122 1.571 1.00 0.65 H new ATOM 0 HD2 PHE A 97 -12.161 -9.612 4.597 1.00 0.62 H new ATOM 0 HE1 PHE A 97 -7.788 -11.408 3.236 1.00 0.77 H new ATOM 0 HE2 PHE A 97 -10.381 -9.905 6.265 1.00 0.75 H new ATOM 0 HZ PHE A 97 -8.193 -10.794 5.591 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.775 -8.577 0.404 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.656 -8.783 -0.513 1.00 0.43 C ATOM 1517 C ASP A 98 -7.356 -8.354 0.145 1.00 0.36 C ATOM 1518 O ASP A 98 -7.362 -7.634 1.146 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.841 -8.008 -1.822 1.00 0.56 C ATOM 1520 CG ASP A 98 -8.301 -8.765 -3.022 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -7.118 -9.164 -2.989 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -9.043 -8.942 -4.012 1.00 1.60 O ATOM 0 H ASP A 98 -9.517 -8.139 1.289 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.621 -9.846 -0.749 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.901 -7.801 -1.973 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.336 -7.045 -1.746 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.249 -8.796 -0.420 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.936 -8.422 0.070 1.00 0.30 C ATOM 1529 C CYS A 99 -3.927 -8.463 -1.063 1.00 0.32 C ATOM 1530 O CYS A 99 -3.943 -9.369 -1.901 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.495 -9.322 1.226 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.725 -11.098 0.943 1.00 1.19 S ATOM 0 H CYS A 99 -6.234 -9.420 -1.226 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.992 -7.403 0.454 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.441 -9.135 1.431 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.049 -9.037 2.121 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.316 -11.760 1.984 1.00 1.19 H new ATOM 1538 N SER A 100 -3.064 -7.474 -1.091 1.00 0.27 N ATOM 1539 CA SER A 100 -2.121 -7.319 -2.186 1.00 0.30 C ATOM 1540 C SER A 100 -0.717 -7.681 -1.729 1.00 0.31 C ATOM 1541 O SER A 100 -0.364 -7.483 -0.565 1.00 0.42 O ATOM 1542 CB SER A 100 -2.153 -5.879 -2.698 1.00 0.38 C ATOM 1543 OG SER A 100 -1.528 -5.007 -1.779 1.00 0.84 O ATOM 0 H SER A 100 -2.992 -6.759 -0.367 1.00 0.27 H new ATOM 0 HA SER A 100 -2.407 -7.991 -2.995 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.649 -5.820 -3.663 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.185 -5.568 -2.858 1.00 0.38 H new ATOM 0 HG SER A 100 -1.787 -4.083 -1.977 1.00 0.84 H new ATOM 1549 N ASN A 101 0.077 -8.228 -2.631 1.00 0.34 N ATOM 1550 CA ASN A 101 1.453 -8.543 -2.302 1.00 0.37 C ATOM 1551 C ASN A 101 2.386 -8.051 -3.400 1.00 0.42 C ATOM 1552 O ASN A 101 2.306 -8.481 -4.551 1.00 0.65 O ATOM 1553 CB ASN A 101 1.645 -10.049 -2.025 1.00 0.60 C ATOM 1554 CG ASN A 101 1.506 -10.967 -3.241 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.165 -12.005 -3.312 1.00 1.58 O ATOM 1556 ND2 ASN A 101 0.649 -10.621 -4.191 1.00 1.05 N ATOM 0 H ASN A 101 -0.203 -8.460 -3.584 1.00 0.34 H new ATOM 0 HA ASN A 101 1.708 -8.021 -1.380 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.634 -10.197 -1.591 1.00 0.60 H new ATOM 0 HB3 ASN A 101 0.918 -10.358 -1.274 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.522 -11.220 -5.007 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.116 -9.755 -4.106 1.00 1.05 H new ATOM 1563 N PHE A 102 3.228 -7.096 -3.060 1.00 0.31 N ATOM 1564 CA PHE A 102 4.169 -6.540 -4.005 1.00 0.38 C ATOM 1565 C PHE A 102 5.476 -6.229 -3.305 1.00 0.30 C ATOM 1566 O PHE A 102 5.493 -5.754 -2.169 1.00 0.37 O ATOM 1567 CB PHE A 102 3.589 -5.301 -4.671 1.00 0.57 C ATOM 1568 CG PHE A 102 3.096 -4.259 -3.715 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.817 -4.326 -3.186 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.911 -3.213 -3.351 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.374 -3.363 -2.311 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.468 -2.250 -2.478 1.00 0.84 C ATOM 1573 CZ PHE A 102 2.202 -2.325 -1.957 1.00 0.86 C ATOM 0 H PHE A 102 3.278 -6.687 -2.127 1.00 0.31 H new ATOM 0 HA PHE A 102 4.365 -7.273 -4.788 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.351 -4.857 -5.312 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.765 -5.603 -5.317 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.164 -5.140 -3.463 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.910 -3.148 -3.756 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.376 -3.422 -1.902 1.00 0.74 H new ATOM 0 HE2 PHE A 102 4.118 -1.433 -2.202 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.856 -1.568 -1.269 1.00 0.86 H new ATOM 1583 N ASN A 103 6.560 -6.504 -3.986 1.00 0.24 N ATOM 1584 CA ASN A 103 7.866 -6.448 -3.417 1.00 0.25 C ATOM 1585 C ASN A 103 8.558 -5.133 -3.714 1.00 0.28 C ATOM 1586 O ASN A 103 8.260 -4.444 -4.676 1.00 0.49 O ATOM 1587 CB ASN A 103 8.713 -7.575 -3.991 1.00 0.33 C ATOM 1588 CG ASN A 103 8.053 -8.938 -3.909 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.260 -9.217 -3.010 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.372 -9.797 -4.861 1.00 1.25 N ATOM 0 H ASN A 103 6.550 -6.777 -4.969 1.00 0.24 H new ATOM 0 HA ASN A 103 7.758 -6.546 -2.337 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.938 -7.353 -5.034 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.664 -7.609 -3.460 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.957 -10.729 -4.868 1.00 1.25 H new ATOM 0 HD22 ASN A 103 9.034 -9.529 -5.589 1.00 1.25 H new ATOM 1597 N LEU A 104 9.486 -4.808 -2.870 1.00 0.23 N ATOM 1598 CA LEU A 104 10.465 -3.784 -3.167 1.00 0.24 C ATOM 1599 C LEU A 104 11.828 -4.385 -2.975 1.00 0.25 C ATOM 1600 O LEU A 104 12.194 -4.772 -1.868 1.00 0.37 O ATOM 1601 CB LEU A 104 10.351 -2.520 -2.301 1.00 0.27 C ATOM 1602 CG LEU A 104 11.653 -1.788 -2.110 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.784 -0.678 -3.128 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.816 -1.256 -0.699 1.00 0.30 C ATOM 0 H LEU A 104 9.595 -5.239 -1.952 1.00 0.23 H new ATOM 0 HA LEU A 104 10.286 -3.458 -4.192 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.629 -1.843 -2.758 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.955 -2.796 -1.324 1.00 0.27 H new ATOM 0 HG LEU A 104 12.458 -2.507 -2.266 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.730 -0.157 -2.979 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.757 -1.100 -4.132 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.960 0.025 -3.008 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.771 -0.737 -0.614 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.005 -0.563 -0.475 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.790 -2.085 0.008 1.00 0.30 H new ATOM 1616 N THR A 105 12.572 -4.503 -4.043 1.00 0.23 N ATOM 1617 CA THR A 105 13.921 -4.974 -3.917 1.00 0.24 C ATOM 1618 C THR A 105 14.851 -3.784 -3.926 1.00 0.21 C ATOM 1619 O THR A 105 15.188 -3.256 -4.984 1.00 0.22 O ATOM 1620 CB THR A 105 14.298 -5.935 -5.049 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.205 -6.828 -5.297 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.540 -6.736 -4.689 1.00 0.32 C ATOM 0 H THR A 105 12.272 -4.283 -4.993 1.00 0.23 H new ATOM 0 HA THR A 105 14.009 -5.524 -2.980 1.00 0.24 H new ATOM 0 HB THR A 105 14.513 -5.352 -5.945 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.390 -7.356 -6.101 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.788 -7.411 -5.508 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.374 -6.056 -4.515 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.350 -7.316 -3.786 1.00 0.32 H new ATOM 1630 N VAL A 106 15.217 -3.330 -2.741 1.00 0.23 N ATOM 1631 CA VAL A 106 16.146 -2.243 -2.620 1.00 0.23 C ATOM 1632 C VAL A 106 17.544 -2.769 -2.845 1.00 0.25 C ATOM 1633 O VAL A 106 18.100 -3.552 -2.073 1.00 0.28 O ATOM 1634 CB VAL A 106 16.044 -1.485 -1.279 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.143 -2.412 -0.097 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.088 -0.388 -1.216 1.00 0.33 C ATOM 0 H VAL A 106 14.880 -3.703 -1.854 1.00 0.23 H new ATOM 0 HA VAL A 106 15.892 -1.506 -3.382 1.00 0.23 H new ATOM 0 HB VAL A 106 15.057 -1.024 -1.229 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.066 -1.836 0.825 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.334 -3.141 -0.138 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.101 -2.932 -0.121 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.005 0.139 -0.265 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.082 -0.826 -1.303 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.928 0.314 -2.035 1.00 0.33 H new ATOM 1646 N HIS A 107 18.069 -2.333 -3.940 1.00 0.26 N ATOM 1647 CA HIS A 107 19.336 -2.790 -4.448 1.00 0.31 C ATOM 1648 C HIS A 107 20.450 -2.125 -3.703 1.00 0.34 C ATOM 1649 O HIS A 107 20.818 -0.981 -3.964 1.00 0.36 O ATOM 1650 CB HIS A 107 19.481 -2.505 -5.948 1.00 0.36 C ATOM 1651 CG HIS A 107 18.538 -3.277 -6.821 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.382 -3.012 -8.163 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.709 -4.313 -6.547 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.503 -3.848 -8.677 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.078 -4.648 -7.720 1.00 0.53 N ATOM 0 H HIS A 107 17.623 -1.629 -4.529 1.00 0.26 H new ATOM 0 HA HIS A 107 19.383 -3.869 -4.303 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.325 -1.440 -6.119 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.504 -2.730 -6.251 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.570 -4.787 -5.586 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.184 -3.873 -9.709 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.392 -5.395 -7.832 1.00 0.53 H new ATOM 1664 N GLU A 108 20.946 -2.855 -2.753 1.00 0.45 N ATOM 1665 CA GLU A 108 22.142 -2.473 -2.040 1.00 0.56 C ATOM 1666 C GLU A 108 23.357 -2.760 -2.923 1.00 0.71 C ATOM 1667 O GLU A 108 24.338 -2.017 -2.913 1.00 1.33 O ATOM 1668 CB GLU A 108 22.227 -3.239 -0.717 1.00 0.71 C ATOM 1669 CG GLU A 108 23.353 -2.788 0.194 1.00 0.87 C ATOM 1670 CD GLU A 108 23.390 -3.571 1.489 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.016 -4.645 1.525 1.00 1.67 O ATOM 1672 OE2 GLU A 108 22.783 -3.119 2.481 1.00 1.66 O ATOM 0 H GLU A 108 20.537 -3.737 -2.443 1.00 0.45 H new ATOM 0 HA GLU A 108 22.118 -1.408 -1.808 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.281 -3.131 -0.187 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.352 -4.300 -0.932 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.305 -2.902 -0.324 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.236 -1.727 0.416 1.00 0.87 H new