USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1350 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 15 HIS : no HE2:sc= -2.36! K(o=-5!,f=-5.6) USER MOD Set 1.2: A 25 HIS : no HD1:sc= -0.394 K(o=-5,f=-4.4) USER MOD Set 1.3: B 85 HIS : no HE2:sc= -2.24! C(o=-5!,f=-11!) USER MOD Set 2.1: B 29 LYS NZ :NH3+ -128:sc= -0.6 (180deg=-0.482) USER MOD Set 2.2: B 57 MET CE :methyl -170:sc= -0.897 (180deg=-0.193) USER MOD Set 3.1: A 85 HIS : no HE2:sc= -2.28! C(o=-5.2!,f=-12!) USER MOD Set 3.2: B 15 HIS : no HE2:sc= -2.48! X(o=-5.2!,f=-5.5) USER MOD Set 3.3: B 25 HIS : no HD1:sc= -0.403 K(o=-5.2,f=-4.5) USER MOD Set 4.1: A 81 THR OG1 : rot -1:sc= -1.6 USER MOD Set 4.2: B 74 MET CE :methyl -176:sc= -0.679 (180deg=-0.683) USER MOD Set 5.1: A 74 MET CE :methyl 180:sc= -0.669 (180deg=-0.669) USER MOD Set 5.2: B 81 THR OG1 : rot -14:sc= -1.79! USER MOD Set 6.1: A 29 LYS NZ :NH3+ -129:sc= -0.555 (180deg=-0.435) USER MOD Set 6.2: A 57 MET CE :methyl -169:sc= -0.83 (180deg=-0.139) USER MOD Single : A 5 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0425) USER MOD Single : A 7 MET CE :methyl -158:sc= -0.916 (180deg=-1.12) USER MOD Single : A 16 GLN : amide:sc= -0.84 K(o=-0.84,f=-2.3!) USER MOD Single : A 17 TYR OH : rot 30:sc= -0.299 USER MOD Single : A 18 SER OG : rot 130:sc= 1.2 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -1.12 (180deg=-1.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0555) USER MOD Single : A 37 ASN : amide:sc= -2.43 X(o=-2.4,f=-2) USER MOD Single : A 38 ASN : amide:sc= -0.942 K(o=-0.94,f=-3.3!) USER MOD Single : A 41 SER OG : rot 153:sc= 0.573 USER MOD Single : A 42 HIS : no HD1:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.165) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 67:sc= -0.115! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -42:sc= -0.751 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 11:sc= -0.746 USER MOD Single : A 84 CYS SG : rot 93:sc= 1.24 USER MOD Single : B 5 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0496) USER MOD Single : B 7 MET CE :methyl -159:sc= -0.917 (180deg=-1.15) USER MOD Single : B 16 GLN : amide:sc= -0.836 K(o=-0.84,f=-2.4!) USER MOD Single : B 17 TYR OH : rot 30:sc= -0.304 USER MOD Single : B 18 SER OG : rot 132:sc= 1.17 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 160:sc= -1.54 (180deg=-2.08!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0239) USER MOD Single : B 37 ASN : amide:sc= -2.45 X(o=-2.4,f=-2) USER MOD Single : B 38 ASN : amide:sc= -0.996 K(o=-1,f=-3.6!) USER MOD Single : B 41 SER OG : rot 151:sc= 0.548 USER MOD Single : B 42 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=-0.0077) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc=-0.00945 K(o=-0.0094,f=-1.6!) USER MOD Single : B 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.129) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 74:sc= -0.22! USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot -40:sc= -0.742 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 17:sc= -0.689 USER MOD Single : B 84 CYS SG : rot 81:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.993 1.350 12.103 1.00 0.00 N ATOM 32 CA GLU A 2 -6.826 0.457 11.854 1.00 0.00 C ATOM 33 C GLU A 2 -5.969 1.033 10.720 1.00 0.00 C ATOM 34 O GLU A 2 -4.762 0.894 10.709 1.00 0.00 O ATOM 35 CB GLU A 2 -7.327 -0.935 11.462 1.00 0.00 C ATOM 36 CG GLU A 2 -7.831 -1.664 12.708 1.00 0.00 C ATOM 37 CD GLU A 2 -8.354 -3.047 12.315 1.00 0.00 C ATOM 38 OE1 GLU A 2 -9.453 -3.117 11.790 1.00 0.00 O ATOM 39 OE2 GLU A 2 -7.645 -4.013 12.546 1.00 0.00 O ATOM 0 HA GLU A 2 -6.223 0.386 12.759 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.128 -0.852 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.524 -1.504 10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.025 -1.762 13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.623 -1.086 13.185 1.00 0.00 H new ATOM 46 N LEU A 3 -6.585 1.676 9.767 1.00 0.00 N ATOM 47 CA LEU A 3 -5.813 2.257 8.629 1.00 0.00 C ATOM 48 C LEU A 3 -5.014 3.486 9.107 1.00 0.00 C ATOM 49 O LEU A 3 -4.055 3.886 8.480 1.00 0.00 O ATOM 50 CB LEU A 3 -6.800 2.663 7.509 1.00 0.00 C ATOM 51 CG LEU A 3 -6.876 1.571 6.420 1.00 0.00 C ATOM 52 CD1 LEU A 3 -7.042 0.176 7.053 1.00 0.00 C ATOM 53 CD2 LEU A 3 -8.062 1.858 5.488 1.00 0.00 C ATOM 0 H LEU A 3 -7.593 1.825 9.726 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.110 1.518 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.790 2.829 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.483 3.606 7.063 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.947 1.584 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.093 -0.577 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.191 -0.033 7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.960 0.150 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.116 1.087 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.986 1.859 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.927 2.832 5.017 1.00 0.00 H new ATOM 65 N GLU A 4 -5.388 4.083 10.207 1.00 0.00 N ATOM 66 CA GLU A 4 -4.630 5.273 10.696 1.00 0.00 C ATOM 67 C GLU A 4 -3.298 4.803 11.280 1.00 0.00 C ATOM 68 O GLU A 4 -2.285 5.461 11.157 1.00 0.00 O ATOM 69 CB GLU A 4 -5.448 6.003 11.770 1.00 0.00 C ATOM 70 CG GLU A 4 -4.585 7.066 12.458 1.00 0.00 C ATOM 71 CD GLU A 4 -5.474 7.986 13.298 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.674 7.984 13.074 1.00 0.00 O ATOM 73 OE2 GLU A 4 -4.941 8.676 14.151 1.00 0.00 O ATOM 0 H GLU A 4 -6.180 3.801 10.785 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.445 5.961 9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.322 6.471 11.317 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.815 5.289 12.507 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.838 6.588 13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.044 7.648 11.712 1.00 0.00 H new ATOM 80 N LYS A 5 -3.293 3.662 11.908 1.00 0.00 N ATOM 81 CA LYS A 5 -2.032 3.134 12.492 1.00 0.00 C ATOM 82 C LYS A 5 -1.081 2.757 11.355 1.00 0.00 C ATOM 83 O LYS A 5 0.092 3.070 11.379 1.00 0.00 O ATOM 84 CB LYS A 5 -2.361 1.891 13.342 1.00 0.00 C ATOM 85 CG LYS A 5 -2.808 2.324 14.760 1.00 0.00 C ATOM 86 CD LYS A 5 -3.896 1.372 15.308 1.00 0.00 C ATOM 87 CE LYS A 5 -5.291 1.885 14.920 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.670 3.009 15.823 1.00 0.00 N ATOM 0 H LYS A 5 -4.113 3.070 12.042 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.558 3.886 13.122 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.151 1.311 12.864 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.486 1.244 13.409 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.949 2.327 15.432 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.192 3.343 14.729 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.746 0.368 14.910 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.815 1.301 16.393 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.293 2.220 13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.022 1.080 14.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.676 2.929 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.093 2.969 16.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.505 3.914 15.338 1.00 0.00 H new ATOM 102 N ALA A 6 -1.586 2.083 10.364 1.00 0.00 N ATOM 103 CA ALA A 6 -0.725 1.672 9.219 1.00 0.00 C ATOM 104 C ALA A 6 -0.137 2.903 8.535 1.00 0.00 C ATOM 105 O ALA A 6 1.063 3.024 8.379 1.00 0.00 O ATOM 106 CB ALA A 6 -1.561 0.882 8.211 1.00 0.00 C ATOM 0 H ALA A 6 -2.563 1.796 10.295 1.00 0.00 H new ATOM 0 HA ALA A 6 0.088 1.049 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.932 0.581 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.971 -0.005 8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.377 1.506 7.846 1.00 0.00 H new ATOM 112 N MET A 7 -0.964 3.814 8.115 1.00 0.00 N ATOM 113 CA MET A 7 -0.439 5.028 7.432 1.00 0.00 C ATOM 114 C MET A 7 0.665 5.656 8.279 1.00 0.00 C ATOM 115 O MET A 7 1.661 6.121 7.770 1.00 0.00 O ATOM 116 CB MET A 7 -1.566 6.057 7.238 1.00 0.00 C ATOM 117 CG MET A 7 -2.549 5.605 6.137 1.00 0.00 C ATOM 118 SD MET A 7 -3.187 7.065 5.264 1.00 0.00 S ATOM 119 CE MET A 7 -4.945 6.856 5.645 1.00 0.00 C ATOM 0 H MET A 7 -1.978 3.773 8.214 1.00 0.00 H new ATOM 0 HA MET A 7 -0.042 4.738 6.459 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.104 6.193 8.176 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.138 7.024 6.973 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.046 4.939 5.436 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.372 5.042 6.577 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.543 7.394 4.910 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.200 5.797 5.616 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.151 7.251 6.640 1.00 0.00 H new ATOM 129 N VAL A 8 0.497 5.678 9.567 1.00 0.00 N ATOM 130 CA VAL A 8 1.544 6.290 10.434 1.00 0.00 C ATOM 131 C VAL A 8 2.783 5.393 10.444 1.00 0.00 C ATOM 132 O VAL A 8 3.903 5.856 10.356 1.00 0.00 O ATOM 133 CB VAL A 8 0.984 6.447 11.859 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.125 6.678 12.860 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.019 7.638 11.897 1.00 0.00 C ATOM 0 H VAL A 8 -0.314 5.302 10.059 1.00 0.00 H new ATOM 0 HA VAL A 8 1.825 7.271 10.050 1.00 0.00 H new ATOM 0 HB VAL A 8 0.456 5.534 12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.713 6.787 13.863 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.806 5.827 12.838 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.668 7.584 12.590 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.379 7.752 12.905 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.550 8.546 11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.801 7.464 11.200 1.00 0.00 H new ATOM 145 N ALA A 9 2.586 4.117 10.563 1.00 0.00 N ATOM 146 CA ALA A 9 3.742 3.185 10.594 1.00 0.00 C ATOM 147 C ALA A 9 4.567 3.319 9.306 1.00 0.00 C ATOM 148 O ALA A 9 5.778 3.196 9.322 1.00 0.00 O ATOM 149 CB ALA A 9 3.228 1.750 10.732 1.00 0.00 C ATOM 0 H ALA A 9 1.670 3.675 10.641 1.00 0.00 H new ATOM 0 HA ALA A 9 4.379 3.431 11.444 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.073 1.062 10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.657 1.655 11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.587 1.510 9.883 1.00 0.00 H new ATOM 155 N LEU A 10 3.932 3.550 8.185 1.00 0.00 N ATOM 156 CA LEU A 10 4.707 3.660 6.911 1.00 0.00 C ATOM 157 C LEU A 10 5.343 5.052 6.771 1.00 0.00 C ATOM 158 O LEU A 10 6.500 5.162 6.454 1.00 0.00 O ATOM 159 CB LEU A 10 3.775 3.378 5.715 1.00 0.00 C ATOM 160 CG LEU A 10 3.758 1.874 5.407 1.00 0.00 C ATOM 161 CD1 LEU A 10 3.183 1.112 6.601 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.892 1.618 4.175 1.00 0.00 C ATOM 0 H LEU A 10 2.923 3.666 8.096 1.00 0.00 H new ATOM 0 HA LEU A 10 5.511 2.924 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.766 3.723 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.114 3.933 4.840 1.00 0.00 H new ATOM 0 HG LEU A 10 4.775 1.532 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.172 0.045 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.801 1.294 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.166 1.453 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.879 0.551 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.876 1.961 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.303 2.159 3.323 1.00 0.00 H new ATOM 174 N ILE A 11 4.607 6.107 6.981 1.00 0.00 N ATOM 175 CA ILE A 11 5.195 7.475 6.821 1.00 0.00 C ATOM 176 C ILE A 11 6.561 7.540 7.514 1.00 0.00 C ATOM 177 O ILE A 11 7.433 8.286 7.116 1.00 0.00 O ATOM 178 CB ILE A 11 4.247 8.511 7.440 1.00 0.00 C ATOM 179 CG1 ILE A 11 3.011 8.640 6.549 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.946 9.873 7.535 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.932 9.443 7.278 1.00 0.00 C ATOM 0 H ILE A 11 3.625 6.086 7.256 1.00 0.00 H new ATOM 0 HA ILE A 11 5.327 7.691 5.761 1.00 0.00 H new ATOM 0 HB ILE A 11 3.960 8.189 8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.275 9.133 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.631 7.651 6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.265 10.601 7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.835 9.783 8.160 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.235 10.204 6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.053 9.533 6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.660 8.932 8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.314 10.437 7.512 1.00 0.00 H new ATOM 193 N ASP A 12 6.758 6.762 8.544 1.00 0.00 N ATOM 194 CA ASP A 12 8.073 6.784 9.248 1.00 0.00 C ATOM 195 C ASP A 12 9.091 5.959 8.457 1.00 0.00 C ATOM 196 O ASP A 12 10.171 6.419 8.147 1.00 0.00 O ATOM 197 CB ASP A 12 7.913 6.190 10.650 1.00 0.00 C ATOM 198 CG ASP A 12 9.180 6.456 11.465 1.00 0.00 C ATOM 199 OD1 ASP A 12 9.256 7.508 12.078 1.00 0.00 O ATOM 200 OD2 ASP A 12 10.053 5.604 11.462 1.00 0.00 O ATOM 0 H ASP A 12 6.069 6.115 8.927 1.00 0.00 H new ATOM 0 HA ASP A 12 8.424 7.813 9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.049 6.631 11.147 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.729 5.118 10.583 1.00 0.00 H new ATOM 205 N VAL A 13 8.750 4.747 8.120 1.00 0.00 N ATOM 206 CA VAL A 13 9.691 3.891 7.340 1.00 0.00 C ATOM 207 C VAL A 13 9.705 4.368 5.884 1.00 0.00 C ATOM 208 O VAL A 13 10.665 4.180 5.166 1.00 0.00 O ATOM 209 CB VAL A 13 9.245 2.420 7.437 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.978 1.562 6.402 1.00 0.00 C ATOM 211 CG2 VAL A 13 9.560 1.896 8.841 1.00 0.00 C ATOM 0 H VAL A 13 7.858 4.310 8.351 1.00 0.00 H new ATOM 0 HA VAL A 13 10.700 3.969 7.744 1.00 0.00 H new ATOM 0 HB VAL A 13 8.174 2.362 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.648 0.527 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.757 1.931 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.052 1.616 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.248 0.855 8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.632 1.968 9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.025 2.492 9.580 1.00 0.00 H new ATOM 221 N PHE A 14 8.642 4.982 5.446 1.00 0.00 N ATOM 222 CA PHE A 14 8.599 5.468 4.036 1.00 0.00 C ATOM 223 C PHE A 14 9.548 6.665 3.864 1.00 0.00 C ATOM 224 O PHE A 14 10.322 6.723 2.928 1.00 0.00 O ATOM 225 CB PHE A 14 7.158 5.876 3.680 1.00 0.00 C ATOM 226 CG PHE A 14 7.143 6.761 2.449 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.798 6.347 1.284 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.486 8.000 2.479 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.797 7.167 0.152 1.00 0.00 C ATOM 230 CE2 PHE A 14 6.485 8.818 1.346 1.00 0.00 C ATOM 231 CZ PHE A 14 7.142 8.402 0.183 1.00 0.00 C ATOM 0 H PHE A 14 7.805 5.168 5.998 1.00 0.00 H new ATOM 0 HA PHE A 14 8.921 4.670 3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.556 4.985 3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.706 6.404 4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.305 5.393 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.981 8.322 3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.302 6.847 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.977 9.771 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.143 9.035 -0.692 1.00 0.00 H new ATOM 241 N HIS A 15 9.478 7.629 4.741 1.00 0.00 N ATOM 242 CA HIS A 15 10.356 8.829 4.604 1.00 0.00 C ATOM 243 C HIS A 15 11.802 8.494 5.009 1.00 0.00 C ATOM 244 O HIS A 15 12.744 9.005 4.437 1.00 0.00 O ATOM 245 CB HIS A 15 9.798 9.957 5.502 1.00 0.00 C ATOM 246 CG HIS A 15 10.010 11.305 4.856 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.582 12.369 5.536 1.00 0.00 N ATOM 248 CD2 HIS A 15 9.720 11.777 3.598 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.617 13.418 4.693 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.103 13.111 3.499 1.00 0.00 N ATOM 0 H HIS A 15 8.852 7.639 5.546 1.00 0.00 H new ATOM 0 HA HIS A 15 10.366 9.153 3.563 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.735 9.796 5.679 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.290 9.932 6.474 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.916 12.359 6.500 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.264 11.200 2.807 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.012 14.389 4.951 1.00 0.00 H new ATOM 258 N GLN A 16 11.990 7.653 5.991 1.00 0.00 N ATOM 259 CA GLN A 16 13.379 7.312 6.425 1.00 0.00 C ATOM 260 C GLN A 16 14.119 6.581 5.300 1.00 0.00 C ATOM 261 O GLN A 16 15.282 6.826 5.039 1.00 0.00 O ATOM 262 CB GLN A 16 13.316 6.409 7.661 1.00 0.00 C ATOM 263 CG GLN A 16 12.954 7.245 8.890 1.00 0.00 C ATOM 264 CD GLN A 16 12.745 6.321 10.092 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.067 5.318 9.990 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.304 6.619 11.234 1.00 0.00 N ATOM 0 H GLN A 16 11.246 7.188 6.511 1.00 0.00 H new ATOM 0 HA GLN A 16 13.914 8.231 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.575 5.623 7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.277 5.917 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.747 7.962 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.048 7.820 8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.873 7.461 11.319 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.172 6.010 12.041 1.00 0.00 H new ATOM 275 N TYR A 17 13.448 5.704 4.611 1.00 0.00 N ATOM 276 CA TYR A 17 14.113 4.977 3.494 1.00 0.00 C ATOM 277 C TYR A 17 14.111 5.878 2.265 1.00 0.00 C ATOM 278 O TYR A 17 15.144 6.151 1.687 1.00 0.00 O ATOM 279 CB TYR A 17 13.362 3.666 3.219 1.00 0.00 C ATOM 280 CG TYR A 17 13.853 2.596 4.174 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.426 2.600 5.509 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.743 1.611 3.728 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.889 1.620 6.395 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.204 0.630 4.615 1.00 0.00 C ATOM 285 CZ TYR A 17 14.777 0.636 5.949 1.00 0.00 C ATOM 286 OH TYR A 17 15.233 -0.329 6.824 1.00 0.00 O ATOM 0 H TYR A 17 12.471 5.459 4.771 1.00 0.00 H new ATOM 0 HA TYR A 17 15.142 4.729 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.289 3.815 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.523 3.351 2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.740 3.359 5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.074 1.608 2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.560 1.624 7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.889 -0.131 4.270 1.00 0.00 H new ATOM 0 HH TYR A 17 14.551 -0.501 7.506 1.00 0.00 H new ATOM 296 N SER A 18 12.973 6.377 1.880 1.00 0.00 N ATOM 297 CA SER A 18 12.940 7.290 0.712 1.00 0.00 C ATOM 298 C SER A 18 13.887 8.455 1.003 1.00 0.00 C ATOM 299 O SER A 18 14.468 9.042 0.112 1.00 0.00 O ATOM 300 CB SER A 18 11.521 7.820 0.519 1.00 0.00 C ATOM 301 OG SER A 18 10.610 6.730 0.512 1.00 0.00 O ATOM 0 H SER A 18 12.072 6.193 2.320 1.00 0.00 H new ATOM 0 HA SER A 18 13.246 6.766 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.268 8.515 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.451 8.373 -0.418 1.00 0.00 H new ATOM 0 HG SER A 18 9.874 6.914 1.133 1.00 0.00 H new ATOM 307 N GLY A 19 14.043 8.786 2.259 1.00 0.00 N ATOM 308 CA GLY A 19 14.947 9.907 2.647 1.00 0.00 C ATOM 309 C GLY A 19 16.363 9.377 2.880 1.00 0.00 C ATOM 310 O GLY A 19 17.244 10.107 3.290 1.00 0.00 O ATOM 0 H GLY A 19 13.577 8.322 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.957 10.665 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.576 10.388 3.552 1.00 0.00 H new ATOM 314 N ARG A 20 16.602 8.121 2.610 1.00 0.00 N ATOM 315 CA ARG A 20 17.973 7.569 2.806 1.00 0.00 C ATOM 316 C ARG A 20 18.901 8.132 1.733 1.00 0.00 C ATOM 317 O ARG A 20 19.960 8.652 2.023 1.00 0.00 O ATOM 318 CB ARG A 20 17.931 6.043 2.682 1.00 0.00 C ATOM 319 CG ARG A 20 19.309 5.453 2.992 1.00 0.00 C ATOM 320 CD ARG A 20 19.276 3.939 2.773 1.00 0.00 C ATOM 321 NE ARG A 20 20.568 3.349 3.218 1.00 0.00 N ATOM 322 CZ ARG A 20 21.648 3.542 2.512 1.00 0.00 C ATOM 323 NH1 ARG A 20 21.589 4.242 1.413 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.783 3.034 2.905 1.00 0.00 N ATOM 0 H ARG A 20 15.910 7.456 2.264 1.00 0.00 H new ATOM 0 HA ARG A 20 18.339 7.847 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.189 5.635 3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.624 5.760 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.064 5.908 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.589 5.676 4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.450 3.497 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.105 3.716 1.720 1.00 0.00 H new ATOM 0 HE ARG A 20 20.609 2.795 4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.700 4.637 1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.432 4.394 0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.826 2.486 3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.628 3.185 2.353 1.00 0.00 H new ATOM 338 N GLU A 21 18.517 8.023 0.491 1.00 0.00 N ATOM 339 CA GLU A 21 19.389 8.547 -0.609 1.00 0.00 C ATOM 340 C GLU A 21 18.540 8.997 -1.802 1.00 0.00 C ATOM 341 O GLU A 21 17.361 8.713 -1.887 1.00 0.00 O ATOM 342 CB GLU A 21 20.342 7.439 -1.064 1.00 0.00 C ATOM 343 CG GLU A 21 19.553 6.147 -1.284 1.00 0.00 C ATOM 344 CD GLU A 21 20.445 5.112 -1.972 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.491 4.804 -1.427 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.066 4.645 -3.033 1.00 0.00 O ATOM 0 H GLU A 21 17.642 7.596 0.187 1.00 0.00 H new ATOM 0 HA GLU A 21 19.952 9.402 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.844 7.732 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.118 7.281 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.198 5.759 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.672 6.346 -1.895 1.00 0.00 H new ATOM 353 N GLY A 22 19.146 9.689 -2.729 1.00 0.00 N ATOM 354 CA GLY A 22 18.404 10.161 -3.935 1.00 0.00 C ATOM 355 C GLY A 22 17.186 10.988 -3.517 1.00 0.00 C ATOM 356 O GLY A 22 17.186 11.642 -2.493 1.00 0.00 O ATOM 0 H GLY A 22 20.132 9.950 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.062 10.761 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.085 9.307 -4.532 1.00 0.00 H new ATOM 360 N ASP A 23 16.151 10.969 -4.314 1.00 0.00 N ATOM 361 CA ASP A 23 14.928 11.756 -3.982 1.00 0.00 C ATOM 362 C ASP A 23 14.558 11.537 -2.512 1.00 0.00 C ATOM 363 O ASP A 23 15.066 10.650 -1.855 1.00 0.00 O ATOM 364 CB ASP A 23 13.774 11.303 -4.887 1.00 0.00 C ATOM 365 CG ASP A 23 13.864 12.018 -6.239 1.00 0.00 C ATOM 366 OD1 ASP A 23 13.574 13.203 -6.282 1.00 0.00 O ATOM 367 OD2 ASP A 23 14.221 11.367 -7.208 1.00 0.00 O ATOM 0 H ASP A 23 16.100 10.440 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 23 15.119 12.817 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.816 10.224 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.818 11.524 -4.411 1.00 0.00 H new ATOM 372 N LYS A 24 13.691 12.363 -1.988 1.00 0.00 N ATOM 373 CA LYS A 24 13.292 12.242 -0.553 1.00 0.00 C ATOM 374 C LYS A 24 11.968 11.477 -0.410 1.00 0.00 C ATOM 375 O LYS A 24 11.610 11.069 0.678 1.00 0.00 O ATOM 376 CB LYS A 24 13.131 13.652 0.030 1.00 0.00 C ATOM 377 CG LYS A 24 13.196 13.599 1.562 1.00 0.00 C ATOM 378 CD LYS A 24 12.620 14.891 2.147 1.00 0.00 C ATOM 379 CE LYS A 24 13.400 16.092 1.609 1.00 0.00 C ATOM 380 NZ LYS A 24 13.091 17.294 2.434 1.00 0.00 N ATOM 0 H LYS A 24 13.238 13.123 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 24 14.063 11.689 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.916 14.304 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.179 14.079 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.635 12.740 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.228 13.469 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.566 14.982 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.677 14.866 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.470 15.885 1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.135 16.274 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.621 18.111 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.071 17.494 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.365 17.117 3.422 1.00 0.00 H new ATOM 394 N HIS A 25 11.217 11.294 -1.477 1.00 0.00 N ATOM 395 CA HIS A 25 9.900 10.576 -1.361 1.00 0.00 C ATOM 396 C HIS A 25 9.812 9.416 -2.350 1.00 0.00 C ATOM 397 O HIS A 25 8.733 9.015 -2.744 1.00 0.00 O ATOM 398 CB HIS A 25 8.767 11.572 -1.633 1.00 0.00 C ATOM 399 CG HIS A 25 9.074 12.881 -0.955 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.854 13.084 0.402 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.583 14.063 -1.434 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.226 14.346 0.688 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.676 14.982 -0.395 1.00 0.00 N ATOM 0 H HIS A 25 11.457 11.609 -2.417 1.00 0.00 H new ATOM 0 HA HIS A 25 9.812 10.166 -0.355 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.653 11.724 -2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.822 11.173 -1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.867 14.250 -2.459 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.167 14.788 1.672 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.017 15.942 -0.449 1.00 0.00 H new ATOM 411 N LYS A 26 10.922 8.846 -2.731 1.00 0.00 N ATOM 412 CA LYS A 26 10.895 7.680 -3.664 1.00 0.00 C ATOM 413 C LYS A 26 11.891 6.652 -3.149 1.00 0.00 C ATOM 414 O LYS A 26 12.891 6.992 -2.549 1.00 0.00 O ATOM 415 CB LYS A 26 11.301 8.116 -5.072 1.00 0.00 C ATOM 416 CG LYS A 26 10.318 9.157 -5.610 1.00 0.00 C ATOM 417 CD LYS A 26 10.884 9.777 -6.892 1.00 0.00 C ATOM 418 CE LYS A 26 11.051 8.692 -7.962 1.00 0.00 C ATOM 419 NZ LYS A 26 11.163 9.330 -9.305 1.00 0.00 N ATOM 0 H LYS A 26 11.853 9.139 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 26 9.889 7.262 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.308 8.532 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.324 7.251 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.353 8.692 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.147 9.932 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.217 10.559 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.845 10.249 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.940 8.097 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.200 8.012 -7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.276 8.594 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.302 9.880 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.989 9.962 -9.321 1.00 0.00 H new ATOM 433 N LEU A 27 11.631 5.395 -3.370 1.00 0.00 N ATOM 434 CA LEU A 27 12.572 4.342 -2.882 1.00 0.00 C ATOM 435 C LEU A 27 13.579 3.982 -3.977 1.00 0.00 C ATOM 436 O LEU A 27 13.239 3.753 -5.124 1.00 0.00 O ATOM 437 CB LEU A 27 11.793 3.068 -2.482 1.00 0.00 C ATOM 438 CG LEU A 27 11.340 3.128 -1.008 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.081 3.986 -0.884 1.00 0.00 C ATOM 440 CD2 LEU A 27 11.044 1.709 -0.519 1.00 0.00 C ATOM 0 H LEU A 27 10.810 5.048 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 27 13.100 4.735 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.922 2.954 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.422 2.191 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 27 12.131 3.571 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.768 4.023 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.293 4.996 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.284 3.551 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.723 1.742 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.253 1.272 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.944 1.100 -0.602 1.00 0.00 H new ATOM 452 N LYS A 28 14.815 3.887 -3.580 1.00 0.00 N ATOM 453 CA LYS A 28 15.911 3.489 -4.512 1.00 0.00 C ATOM 454 C LYS A 28 16.200 2.008 -4.248 1.00 0.00 C ATOM 455 O LYS A 28 15.979 1.531 -3.157 1.00 0.00 O ATOM 456 CB LYS A 28 17.169 4.327 -4.214 1.00 0.00 C ATOM 457 CG LYS A 28 17.129 5.647 -4.997 1.00 0.00 C ATOM 458 CD LYS A 28 15.848 6.422 -4.653 1.00 0.00 C ATOM 459 CE LYS A 28 15.856 7.821 -5.312 1.00 0.00 C ATOM 460 NZ LYS A 28 14.633 7.967 -6.149 1.00 0.00 N ATOM 0 H LYS A 28 15.122 4.073 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 28 15.627 3.653 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.233 4.532 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.062 3.763 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.005 6.250 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.166 5.446 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.977 5.861 -4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.760 6.525 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.885 8.598 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.749 7.944 -5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.447 8.976 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.775 7.484 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.822 7.543 -5.655 1.00 0.00 H new ATOM 474 N LYS A 29 16.669 1.266 -5.219 1.00 0.00 N ATOM 475 CA LYS A 29 16.944 -0.189 -4.971 1.00 0.00 C ATOM 476 C LYS A 29 17.648 -0.354 -3.618 1.00 0.00 C ATOM 477 O LYS A 29 17.236 -1.134 -2.783 1.00 0.00 O ATOM 478 CB LYS A 29 17.842 -0.748 -6.083 1.00 0.00 C ATOM 479 CG LYS A 29 17.053 -0.870 -7.401 1.00 0.00 C ATOM 480 CD LYS A 29 17.712 -1.918 -8.307 1.00 0.00 C ATOM 481 CE LYS A 29 17.225 -1.736 -9.747 1.00 0.00 C ATOM 482 NZ LYS A 29 15.736 -1.713 -9.771 1.00 0.00 N ATOM 0 H LYS A 29 16.872 1.596 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 29 16.000 -0.734 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.703 -0.095 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.228 -1.725 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.021 -1.153 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.023 0.095 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.797 -1.819 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.470 -2.921 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.620 -0.808 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.596 -2.548 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.390 -2.389 -10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.370 -1.977 -8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.407 -0.757 -10.015 1.00 0.00 H new ATOM 496 N SER A 30 18.699 0.383 -3.398 1.00 0.00 N ATOM 497 CA SER A 30 19.424 0.284 -2.099 1.00 0.00 C ATOM 498 C SER A 30 18.418 0.370 -0.946 1.00 0.00 C ATOM 499 O SER A 30 18.725 0.056 0.179 1.00 0.00 O ATOM 500 CB SER A 30 20.426 1.433 -1.984 1.00 0.00 C ATOM 501 OG SER A 30 21.427 1.285 -2.983 1.00 0.00 O ATOM 0 H SER A 30 19.089 1.052 -4.062 1.00 0.00 H new ATOM 0 HA SER A 30 19.954 -0.667 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.916 2.389 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.882 1.436 -0.994 1.00 0.00 H new ATOM 0 HG SER A 30 22.070 2.021 -2.913 1.00 0.00 H new ATOM 507 N GLU A 31 17.212 0.777 -1.234 1.00 0.00 N ATOM 508 CA GLU A 31 16.158 0.874 -0.170 1.00 0.00 C ATOM 509 C GLU A 31 15.232 -0.328 -0.263 1.00 0.00 C ATOM 510 O GLU A 31 14.829 -0.885 0.733 1.00 0.00 O ATOM 511 CB GLU A 31 15.354 2.162 -0.349 1.00 0.00 C ATOM 512 CG GLU A 31 16.313 3.352 -0.402 1.00 0.00 C ATOM 513 CD GLU A 31 15.517 4.646 -0.571 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.412 4.709 -0.059 1.00 0.00 O ATOM 515 OE2 GLU A 31 16.027 5.554 -1.208 1.00 0.00 O ATOM 0 H GLU A 31 16.904 1.050 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 31 16.636 0.888 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.766 2.113 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.651 2.283 0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.906 3.395 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.012 3.232 -1.230 1.00 0.00 H new ATOM 522 N LEU A 32 14.889 -0.733 -1.446 1.00 0.00 N ATOM 523 CA LEU A 32 13.980 -1.899 -1.584 1.00 0.00 C ATOM 524 C LEU A 32 14.698 -3.162 -1.111 1.00 0.00 C ATOM 525 O LEU A 32 14.168 -3.921 -0.333 1.00 0.00 O ATOM 526 CB LEU A 32 13.527 -2.019 -3.056 1.00 0.00 C ATOM 527 CG LEU A 32 12.073 -2.502 -3.140 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.604 -2.475 -4.596 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.983 -3.931 -2.610 1.00 0.00 C ATOM 0 H LEU A 32 15.196 -0.311 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 32 13.093 -1.765 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.623 -1.053 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.177 -2.715 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 32 11.440 -1.846 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.571 -2.819 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.669 -1.457 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.237 -3.130 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.951 -4.276 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.618 -4.582 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.316 -3.956 -1.572 1.00 0.00 H new ATOM 541 N LYS A 33 15.898 -3.391 -1.542 1.00 0.00 N ATOM 542 CA LYS A 33 16.607 -4.605 -1.067 1.00 0.00 C ATOM 543 C LYS A 33 17.010 -4.397 0.400 1.00 0.00 C ATOM 544 O LYS A 33 17.004 -5.320 1.190 1.00 0.00 O ATOM 545 CB LYS A 33 17.843 -4.859 -1.945 1.00 0.00 C ATOM 546 CG LYS A 33 18.678 -6.035 -1.383 1.00 0.00 C ATOM 547 CD LYS A 33 19.852 -5.504 -0.543 1.00 0.00 C ATOM 548 CE LYS A 33 21.036 -5.156 -1.450 1.00 0.00 C ATOM 549 NZ LYS A 33 21.752 -6.406 -1.831 1.00 0.00 N ATOM 0 H LYS A 33 16.415 -2.801 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 33 15.956 -5.476 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.531 -5.082 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.456 -3.959 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.046 -6.679 -0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.056 -6.646 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.540 -4.621 0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.153 -6.253 0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.685 -4.639 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.716 -4.477 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.778 -6.236 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.517 -7.161 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.462 -6.695 -2.787 1.00 0.00 H new ATOM 563 N GLU A 34 17.370 -3.191 0.769 1.00 0.00 N ATOM 564 CA GLU A 34 17.779 -2.950 2.193 1.00 0.00 C ATOM 565 C GLU A 34 16.542 -2.902 3.085 1.00 0.00 C ATOM 566 O GLU A 34 16.577 -3.299 4.232 1.00 0.00 O ATOM 567 CB GLU A 34 18.538 -1.632 2.324 1.00 0.00 C ATOM 568 CG GLU A 34 19.069 -1.496 3.754 1.00 0.00 C ATOM 569 CD GLU A 34 20.038 -0.316 3.831 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.090 0.448 2.881 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.715 -0.197 4.839 1.00 0.00 O ATOM 0 H GLU A 34 17.399 -2.374 0.159 1.00 0.00 H new ATOM 0 HA GLU A 34 18.431 -3.767 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.363 -1.602 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.881 -0.795 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.241 -1.346 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.574 -2.414 4.054 1.00 0.00 H new ATOM 578 N LEU A 35 15.441 -2.438 2.564 1.00 0.00 N ATOM 579 CA LEU A 35 14.202 -2.394 3.385 1.00 0.00 C ATOM 580 C LEU A 35 13.747 -3.832 3.600 1.00 0.00 C ATOM 581 O LEU A 35 13.140 -4.171 4.597 1.00 0.00 O ATOM 582 CB LEU A 35 13.122 -1.604 2.638 1.00 0.00 C ATOM 583 CG LEU A 35 11.773 -1.705 3.375 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.928 -1.258 4.833 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.752 -0.809 2.670 1.00 0.00 C ATOM 0 H LEU A 35 15.346 -2.089 1.610 1.00 0.00 H new ATOM 0 HA LEU A 35 14.383 -1.906 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.420 -0.559 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.018 -1.988 1.623 1.00 0.00 H new ATOM 0 HG LEU A 35 11.433 -2.740 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.967 -1.335 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.655 -1.897 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.272 -0.224 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.794 -0.874 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.102 0.223 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.632 -1.137 1.637 1.00 0.00 H new ATOM 597 N ILE A 36 14.057 -4.680 2.662 1.00 0.00 N ATOM 598 CA ILE A 36 13.674 -6.106 2.779 1.00 0.00 C ATOM 599 C ILE A 36 14.628 -6.813 3.750 1.00 0.00 C ATOM 600 O ILE A 36 14.226 -7.650 4.532 1.00 0.00 O ATOM 601 CB ILE A 36 13.738 -6.751 1.392 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.572 -6.233 0.543 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.623 -8.269 1.519 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.808 -6.598 -0.924 1.00 0.00 C ATOM 0 H ILE A 36 14.565 -4.440 1.811 1.00 0.00 H new ATOM 0 HA ILE A 36 12.659 -6.195 3.166 1.00 0.00 H new ATOM 0 HB ILE A 36 14.688 -6.497 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.634 -6.667 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.482 -5.152 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.669 -8.722 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.444 -8.646 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.674 -8.524 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.979 -6.230 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.737 -6.143 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.876 -7.681 -1.023 1.00 0.00 H new ATOM 616 N ASN A 37 15.892 -6.480 3.708 1.00 0.00 N ATOM 617 CA ASN A 37 16.878 -7.128 4.627 1.00 0.00 C ATOM 618 C ASN A 37 16.934 -6.416 5.994 1.00 0.00 C ATOM 619 O ASN A 37 17.330 -7.001 6.982 1.00 0.00 O ATOM 620 CB ASN A 37 18.267 -7.082 3.984 1.00 0.00 C ATOM 621 CG ASN A 37 19.281 -7.757 4.909 1.00 0.00 C ATOM 622 OD1 ASN A 37 19.684 -8.878 4.672 1.00 0.00 O ATOM 623 ND2 ASN A 37 19.714 -7.118 5.961 1.00 0.00 N ATOM 0 H ASN A 37 16.286 -5.784 3.075 1.00 0.00 H new ATOM 0 HA ASN A 37 16.562 -8.158 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.249 -7.586 3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.560 -6.048 3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.390 -7.560 6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.376 -6.177 6.161 1.00 0.00 H new ATOM 630 N ASN A 38 16.634 -5.142 6.049 1.00 0.00 N ATOM 631 CA ASN A 38 16.773 -4.407 7.355 1.00 0.00 C ATOM 632 C ASN A 38 15.521 -4.506 8.245 1.00 0.00 C ATOM 633 O ASN A 38 15.635 -4.756 9.428 1.00 0.00 O ATOM 634 CB ASN A 38 17.056 -2.933 7.064 1.00 0.00 C ATOM 635 CG ASN A 38 17.298 -2.191 8.380 1.00 0.00 C ATOM 636 OD1 ASN A 38 16.422 -2.117 9.219 1.00 0.00 O ATOM 637 ND2 ASN A 38 18.458 -1.635 8.597 1.00 0.00 N ATOM 0 H ASN A 38 16.304 -4.582 5.263 1.00 0.00 H new ATOM 0 HA ASN A 38 17.592 -4.875 7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.928 -2.840 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.215 -2.488 6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.630 -1.138 9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.193 -1.697 7.893 1.00 0.00 H new ATOM 644 N GLU A 39 14.341 -4.296 7.717 1.00 0.00 N ATOM 645 CA GLU A 39 13.102 -4.361 8.576 1.00 0.00 C ATOM 646 C GLU A 39 12.278 -5.586 8.195 1.00 0.00 C ATOM 647 O GLU A 39 11.846 -6.349 9.036 1.00 0.00 O ATOM 648 CB GLU A 39 12.269 -3.093 8.342 1.00 0.00 C ATOM 649 CG GLU A 39 11.262 -2.917 9.483 1.00 0.00 C ATOM 650 CD GLU A 39 11.993 -2.429 10.736 1.00 0.00 C ATOM 651 OE1 GLU A 39 12.155 -1.228 10.874 1.00 0.00 O ATOM 652 OE2 GLU A 39 12.378 -3.267 11.536 1.00 0.00 O ATOM 0 H GLU A 39 14.175 -4.083 6.733 1.00 0.00 H new ATOM 0 HA GLU A 39 13.385 -4.432 9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.923 -2.223 8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.745 -3.162 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.492 -2.201 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.758 -3.862 9.687 1.00 0.00 H new ATOM 659 N LEU A 40 12.056 -5.772 6.932 1.00 0.00 N ATOM 660 CA LEU A 40 11.259 -6.937 6.470 1.00 0.00 C ATOM 661 C LEU A 40 12.168 -8.181 6.468 1.00 0.00 C ATOM 662 O LEU A 40 11.980 -9.103 5.703 1.00 0.00 O ATOM 663 CB LEU A 40 10.736 -6.614 5.045 1.00 0.00 C ATOM 664 CG LEU A 40 9.200 -6.503 5.012 1.00 0.00 C ATOM 665 CD1 LEU A 40 8.540 -7.777 5.599 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.754 -5.251 5.793 1.00 0.00 C ATOM 0 H LEU A 40 12.395 -5.161 6.189 1.00 0.00 H new ATOM 0 HA LEU A 40 10.410 -7.136 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.176 -5.678 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.059 -7.392 4.354 1.00 0.00 H new ATOM 0 HG LEU A 40 8.877 -6.410 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.455 -7.674 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.841 -8.646 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.859 -7.909 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.667 -5.175 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.089 -5.329 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.191 -4.363 5.336 1.00 0.00 H new ATOM 678 N SER A 41 13.159 -8.192 7.319 1.00 0.00 N ATOM 679 CA SER A 41 14.101 -9.349 7.379 1.00 0.00 C ATOM 680 C SER A 41 13.543 -10.465 8.281 1.00 0.00 C ATOM 681 O SER A 41 14.007 -11.587 8.234 1.00 0.00 O ATOM 682 CB SER A 41 15.455 -8.859 7.922 1.00 0.00 C ATOM 683 OG SER A 41 16.475 -9.194 6.988 1.00 0.00 O ATOM 0 H SER A 41 13.358 -7.442 7.981 1.00 0.00 H new ATOM 0 HA SER A 41 14.227 -9.760 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.429 -7.781 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.663 -9.319 8.888 1.00 0.00 H new ATOM 0 HG SER A 41 17.213 -8.554 7.066 1.00 0.00 H new ATOM 689 N HIS A 42 12.567 -10.173 9.106 1.00 0.00 N ATOM 690 CA HIS A 42 12.004 -11.228 10.015 1.00 0.00 C ATOM 691 C HIS A 42 10.697 -11.776 9.440 1.00 0.00 C ATOM 692 O HIS A 42 10.299 -12.885 9.741 1.00 0.00 O ATOM 693 CB HIS A 42 11.731 -10.613 11.390 1.00 0.00 C ATOM 694 CG HIS A 42 13.032 -10.408 12.120 1.00 0.00 C ATOM 695 ND1 HIS A 42 13.351 -9.210 12.744 1.00 0.00 N ATOM 696 CD2 HIS A 42 14.105 -11.240 12.333 1.00 0.00 C ATOM 697 CE1 HIS A 42 14.570 -9.353 13.297 1.00 0.00 C ATOM 698 NE2 HIS A 42 15.070 -10.570 13.075 1.00 0.00 N ATOM 0 H HIS A 42 12.135 -9.253 9.191 1.00 0.00 H new ATOM 0 HA HIS A 42 12.723 -12.042 10.106 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.212 -9.661 11.277 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.077 -11.266 11.968 1.00 0.00 H new ATOM 0 HD2 HIS A 42 14.186 -12.257 11.979 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.080 -8.579 13.851 1.00 0.00 H new ATOM 0 HE2 HIS A 42 15.972 -10.933 13.385 1.00 0.00 H new ATOM 707 N PHE A 43 10.021 -11.012 8.617 1.00 0.00 N ATOM 708 CA PHE A 43 8.730 -11.489 8.023 1.00 0.00 C ATOM 709 C PHE A 43 8.990 -11.941 6.586 1.00 0.00 C ATOM 710 O PHE A 43 8.625 -13.034 6.199 1.00 0.00 O ATOM 711 CB PHE A 43 7.701 -10.328 8.052 1.00 0.00 C ATOM 712 CG PHE A 43 6.619 -10.601 9.082 1.00 0.00 C ATOM 713 CD1 PHE A 43 6.921 -10.535 10.447 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.320 -10.922 8.667 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.924 -10.791 11.398 1.00 0.00 C ATOM 716 CE2 PHE A 43 4.324 -11.177 9.617 1.00 0.00 C ATOM 717 CZ PHE A 43 4.625 -11.111 10.982 1.00 0.00 C ATOM 0 H PHE A 43 10.307 -10.076 8.330 1.00 0.00 H new ATOM 0 HA PHE A 43 8.330 -12.327 8.594 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.207 -9.392 8.287 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.251 -10.208 7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.922 -10.287 10.767 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.087 -10.973 7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.157 -10.742 12.451 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.323 -11.425 9.296 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.856 -11.307 11.715 1.00 0.00 H new ATOM 727 N LEU A 44 9.624 -11.123 5.793 1.00 0.00 N ATOM 728 CA LEU A 44 9.908 -11.529 4.390 1.00 0.00 C ATOM 729 C LEU A 44 11.275 -12.214 4.351 1.00 0.00 C ATOM 730 O LEU A 44 12.203 -11.806 5.022 1.00 0.00 O ATOM 731 CB LEU A 44 9.914 -10.291 3.488 1.00 0.00 C ATOM 732 CG LEU A 44 10.241 -10.675 2.035 1.00 0.00 C ATOM 733 CD1 LEU A 44 9.253 -11.738 1.524 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.151 -9.420 1.153 1.00 0.00 C ATOM 0 H LEU A 44 9.956 -10.195 6.055 1.00 0.00 H new ATOM 0 HA LEU A 44 9.141 -12.216 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.941 -9.801 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.648 -9.573 3.853 1.00 0.00 H new ATOM 0 HG LEU A 44 11.248 -11.089 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.499 -11.998 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.321 -12.628 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.238 -11.342 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.382 -9.683 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.143 -9.009 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.865 -8.676 1.506 1.00 0.00 H new ATOM 746 N GLU A 45 11.405 -13.260 3.586 1.00 0.00 N ATOM 747 CA GLU A 45 12.710 -13.981 3.523 1.00 0.00 C ATOM 748 C GLU A 45 13.844 -12.974 3.315 1.00 0.00 C ATOM 749 O GLU A 45 13.775 -12.110 2.463 1.00 0.00 O ATOM 750 CB GLU A 45 12.691 -14.973 2.359 1.00 0.00 C ATOM 751 CG GLU A 45 11.800 -16.165 2.714 1.00 0.00 C ATOM 752 CD GLU A 45 11.695 -17.100 1.508 1.00 0.00 C ATOM 753 OE1 GLU A 45 12.354 -16.832 0.516 1.00 0.00 O ATOM 754 OE2 GLU A 45 10.960 -18.069 1.597 1.00 0.00 O ATOM 0 H GLU A 45 10.666 -13.649 3.001 1.00 0.00 H new ATOM 0 HA GLU A 45 12.870 -14.519 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.320 -14.485 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.703 -15.315 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.214 -16.701 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.809 -15.818 3.006 1.00 0.00 H new ATOM 761 N GLU A 46 14.884 -13.075 4.099 1.00 0.00 N ATOM 762 CA GLU A 46 16.024 -12.124 3.963 1.00 0.00 C ATOM 763 C GLU A 46 16.621 -12.220 2.557 1.00 0.00 C ATOM 764 O GLU A 46 17.532 -12.987 2.309 1.00 0.00 O ATOM 765 CB GLU A 46 17.098 -12.462 5.000 1.00 0.00 C ATOM 766 CG GLU A 46 18.173 -11.375 4.995 1.00 0.00 C ATOM 767 CD GLU A 46 19.254 -11.719 6.020 1.00 0.00 C ATOM 768 OE1 GLU A 46 18.900 -12.180 7.094 1.00 0.00 O ATOM 769 OE2 GLU A 46 20.419 -11.517 5.716 1.00 0.00 O ATOM 0 H GLU A 46 14.993 -13.778 4.830 1.00 0.00 H new ATOM 0 HA GLU A 46 15.664 -11.109 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.650 -12.540 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.544 -13.431 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.613 -11.289 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.728 -10.408 5.231 1.00 0.00 H new ATOM 776 N ILE A 47 16.120 -11.441 1.640 1.00 0.00 N ATOM 777 CA ILE A 47 16.658 -11.472 0.250 1.00 0.00 C ATOM 778 C ILE A 47 18.124 -11.016 0.280 1.00 0.00 C ATOM 779 O ILE A 47 18.445 -9.955 0.778 1.00 0.00 O ATOM 780 CB ILE A 47 15.789 -10.539 -0.634 1.00 0.00 C ATOM 781 CG1 ILE A 47 14.672 -11.352 -1.309 1.00 0.00 C ATOM 782 CG2 ILE A 47 16.621 -9.842 -1.718 1.00 0.00 C ATOM 783 CD1 ILE A 47 13.627 -10.410 -1.923 1.00 0.00 C ATOM 0 H ILE A 47 15.358 -10.781 1.793 1.00 0.00 H new ATOM 0 HA ILE A 47 16.621 -12.478 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 47 15.364 -9.775 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.095 -11.992 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.197 -12.007 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.975 -9.198 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 47 17.399 -9.240 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 47 17.081 -10.592 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.842 -10.998 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.192 -9.789 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.104 -9.773 -2.668 1.00 0.00 H new ATOM 795 N LYS A 48 19.012 -11.821 -0.251 1.00 0.00 N ATOM 796 CA LYS A 48 20.466 -11.461 -0.265 1.00 0.00 C ATOM 797 C LYS A 48 20.882 -11.094 -1.690 1.00 0.00 C ATOM 798 O LYS A 48 21.901 -10.470 -1.908 1.00 0.00 O ATOM 799 CB LYS A 48 21.288 -12.666 0.202 1.00 0.00 C ATOM 800 CG LYS A 48 20.647 -13.271 1.452 1.00 0.00 C ATOM 801 CD LYS A 48 21.481 -14.462 1.926 1.00 0.00 C ATOM 802 CE LYS A 48 21.008 -14.896 3.314 1.00 0.00 C ATOM 803 NZ LYS A 48 21.796 -16.080 3.758 1.00 0.00 N ATOM 0 H LYS A 48 18.790 -12.720 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 48 20.640 -10.615 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.340 -13.413 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.311 -12.359 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.583 -12.521 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.628 -13.591 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.386 -15.289 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.536 -14.191 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.129 -14.078 4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.946 -15.141 3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.475 -16.376 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.659 -16.861 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.805 -15.831 3.798 1.00 0.00 H new ATOM 817 N GLU A 49 20.096 -11.478 -2.663 1.00 0.00 N ATOM 818 CA GLU A 49 20.433 -11.156 -4.082 1.00 0.00 C ATOM 819 C GLU A 49 19.636 -9.927 -4.523 1.00 0.00 C ATOM 820 O GLU A 49 18.532 -9.697 -4.072 1.00 0.00 O ATOM 821 CB GLU A 49 20.068 -12.350 -4.968 1.00 0.00 C ATOM 822 CG GLU A 49 20.663 -12.156 -6.365 1.00 0.00 C ATOM 823 CD GLU A 49 22.184 -12.293 -6.297 1.00 0.00 C ATOM 824 OE1 GLU A 49 22.656 -13.417 -6.244 1.00 0.00 O ATOM 825 OE2 GLU A 49 22.852 -11.273 -6.298 1.00 0.00 O ATOM 0 H GLU A 49 19.231 -12.003 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 49 21.499 -10.948 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.446 -13.272 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.984 -12.449 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.251 -12.895 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.393 -11.174 -6.753 1.00 0.00 H new ATOM 832 N GLN A 50 20.190 -9.131 -5.399 1.00 0.00 N ATOM 833 CA GLN A 50 19.473 -7.908 -5.873 1.00 0.00 C ATOM 834 C GLN A 50 18.735 -8.215 -7.178 1.00 0.00 C ATOM 835 O GLN A 50 17.723 -7.619 -7.485 1.00 0.00 O ATOM 836 CB GLN A 50 20.492 -6.795 -6.124 1.00 0.00 C ATOM 837 CG GLN A 50 21.636 -7.339 -6.981 1.00 0.00 C ATOM 838 CD GLN A 50 22.582 -6.199 -7.363 1.00 0.00 C ATOM 839 OE1 GLN A 50 22.213 -5.042 -7.310 1.00 0.00 O ATOM 840 NE2 GLN A 50 23.796 -6.480 -7.749 1.00 0.00 N ATOM 0 H GLN A 50 21.113 -9.275 -5.809 1.00 0.00 H new ATOM 0 HA GLN A 50 18.755 -7.593 -5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.013 -5.955 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.879 -6.420 -5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 50 22.180 -8.108 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.238 -7.810 -7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 50 24.105 -7.451 -7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 50 24.436 -5.729 -8.006 1.00 0.00 H new ATOM 849 N GLU A 51 19.239 -9.136 -7.952 1.00 0.00 N ATOM 850 CA GLU A 51 18.578 -9.475 -9.239 1.00 0.00 C ATOM 851 C GLU A 51 17.091 -9.706 -9.007 1.00 0.00 C ATOM 852 O GLU A 51 16.275 -9.459 -9.872 1.00 0.00 O ATOM 853 CB GLU A 51 19.208 -10.739 -9.825 1.00 0.00 C ATOM 854 CG GLU A 51 20.725 -10.564 -9.913 1.00 0.00 C ATOM 855 CD GLU A 51 21.053 -9.399 -10.848 1.00 0.00 C ATOM 856 OE1 GLU A 51 20.718 -9.490 -12.016 1.00 0.00 O ATOM 857 OE2 GLU A 51 21.636 -8.435 -10.379 1.00 0.00 O ATOM 0 H GLU A 51 20.084 -9.669 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 51 18.710 -8.649 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.967 -11.600 -9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.797 -10.937 -10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.138 -10.376 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.186 -11.480 -10.281 1.00 0.00 H new ATOM 864 N VAL A 52 16.724 -10.158 -7.843 1.00 0.00 N ATOM 865 CA VAL A 52 15.283 -10.375 -7.572 1.00 0.00 C ATOM 866 C VAL A 52 14.636 -9.018 -7.364 1.00 0.00 C ATOM 867 O VAL A 52 13.529 -8.766 -7.799 1.00 0.00 O ATOM 868 CB VAL A 52 15.112 -11.242 -6.324 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.881 -12.553 -6.508 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.658 -10.493 -5.102 1.00 0.00 C ATOM 0 H VAL A 52 17.355 -10.384 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 52 14.811 -10.890 -8.409 1.00 0.00 H new ATOM 0 HB VAL A 52 14.055 -11.459 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.761 -13.173 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 52 15.492 -13.084 -7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.939 -12.336 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.536 -11.111 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.716 -10.276 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.111 -9.559 -4.973 1.00 0.00 H new ATOM 880 N VAL A 53 15.336 -8.126 -6.731 1.00 0.00 N ATOM 881 CA VAL A 53 14.784 -6.767 -6.527 1.00 0.00 C ATOM 882 C VAL A 53 14.665 -6.135 -7.910 1.00 0.00 C ATOM 883 O VAL A 53 13.869 -5.249 -8.144 1.00 0.00 O ATOM 884 CB VAL A 53 15.701 -5.970 -5.553 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.582 -4.945 -6.277 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.849 -5.240 -4.512 1.00 0.00 C ATOM 0 H VAL A 53 16.268 -8.280 -6.346 1.00 0.00 H new ATOM 0 HA VAL A 53 13.799 -6.777 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 53 16.356 -6.697 -5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.200 -4.419 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.223 -5.458 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.950 -4.229 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.498 -4.685 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.173 -4.548 -5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.268 -5.966 -3.944 1.00 0.00 H new ATOM 896 N ASP A 54 15.438 -6.625 -8.840 1.00 0.00 N ATOM 897 CA ASP A 54 15.355 -6.098 -10.225 1.00 0.00 C ATOM 898 C ASP A 54 14.148 -6.756 -10.892 1.00 0.00 C ATOM 899 O ASP A 54 13.458 -6.159 -11.695 1.00 0.00 O ATOM 900 CB ASP A 54 16.630 -6.454 -10.994 1.00 0.00 C ATOM 901 CG ASP A 54 16.653 -5.695 -12.322 1.00 0.00 C ATOM 902 OD1 ASP A 54 16.957 -4.513 -12.301 1.00 0.00 O ATOM 903 OD2 ASP A 54 16.365 -6.308 -13.337 1.00 0.00 O ATOM 0 H ASP A 54 16.123 -7.368 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 54 15.250 -5.013 -10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.508 -6.198 -10.401 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.670 -7.528 -11.176 1.00 0.00 H new ATOM 908 N LYS A 55 13.885 -7.990 -10.545 1.00 0.00 N ATOM 909 CA LYS A 55 12.716 -8.706 -11.135 1.00 0.00 C ATOM 910 C LYS A 55 11.429 -8.228 -10.450 1.00 0.00 C ATOM 911 O LYS A 55 10.485 -7.827 -11.101 1.00 0.00 O ATOM 912 CB LYS A 55 12.885 -10.218 -10.926 1.00 0.00 C ATOM 913 CG LYS A 55 11.607 -10.980 -11.367 1.00 0.00 C ATOM 914 CD LYS A 55 10.758 -11.356 -10.140 1.00 0.00 C ATOM 915 CE LYS A 55 9.318 -11.647 -10.569 1.00 0.00 C ATOM 916 NZ LYS A 55 9.310 -12.757 -11.562 1.00 0.00 N ATOM 0 H LYS A 55 14.431 -8.533 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 55 12.656 -8.495 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.742 -10.575 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.093 -10.424 -9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.022 -10.360 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.884 -11.880 -11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.183 -12.230 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.773 -10.543 -9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.716 -11.917 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.869 -10.754 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.346 -13.137 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.627 -12.399 -12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.951 -13.512 -11.244 1.00 0.00 H new ATOM 930 N VAL A 56 11.387 -8.257 -9.143 1.00 0.00 N ATOM 931 CA VAL A 56 10.166 -7.794 -8.425 1.00 0.00 C ATOM 932 C VAL A 56 9.781 -6.430 -8.989 1.00 0.00 C ATOM 933 O VAL A 56 8.628 -6.151 -9.255 1.00 0.00 O ATOM 934 CB VAL A 56 10.451 -7.719 -6.908 1.00 0.00 C ATOM 935 CG1 VAL A 56 11.137 -6.397 -6.542 1.00 0.00 C ATOM 936 CG2 VAL A 56 9.139 -7.833 -6.131 1.00 0.00 C ATOM 0 H VAL A 56 12.146 -8.581 -8.544 1.00 0.00 H new ATOM 0 HA VAL A 56 9.339 -8.490 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 56 11.115 -8.543 -6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.326 -6.370 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.082 -6.317 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.491 -5.563 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.344 -7.780 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.476 -7.016 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.661 -8.785 -6.362 1.00 0.00 H new ATOM 946 N MET A 57 10.753 -5.592 -9.204 1.00 0.00 N ATOM 947 CA MET A 57 10.465 -4.259 -9.786 1.00 0.00 C ATOM 948 C MET A 57 9.718 -4.464 -11.103 1.00 0.00 C ATOM 949 O MET A 57 8.893 -3.668 -11.495 1.00 0.00 O ATOM 950 CB MET A 57 11.782 -3.527 -10.049 1.00 0.00 C ATOM 951 CG MET A 57 12.353 -2.992 -8.730 1.00 0.00 C ATOM 952 SD MET A 57 11.597 -1.386 -8.362 1.00 0.00 S ATOM 953 CE MET A 57 13.124 -0.468 -8.054 1.00 0.00 C ATOM 0 H MET A 57 11.736 -5.775 -9.001 1.00 0.00 H new ATOM 0 HA MET A 57 9.860 -3.666 -9.100 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.497 -4.203 -10.517 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.618 -2.704 -10.745 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.153 -3.695 -7.922 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.436 -2.890 -8.803 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.884 0.502 -7.618 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.753 -1.030 -7.364 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.657 -0.322 -8.994 1.00 0.00 H new ATOM 963 N GLU A 58 10.001 -5.538 -11.786 1.00 0.00 N ATOM 964 CA GLU A 58 9.302 -5.802 -13.073 1.00 0.00 C ATOM 965 C GLU A 58 7.812 -5.983 -12.804 1.00 0.00 C ATOM 966 O GLU A 58 6.975 -5.567 -13.580 1.00 0.00 O ATOM 967 CB GLU A 58 9.865 -7.075 -13.714 1.00 0.00 C ATOM 968 CG GLU A 58 9.471 -7.123 -15.193 1.00 0.00 C ATOM 969 CD GLU A 58 10.295 -6.099 -15.975 1.00 0.00 C ATOM 970 OE1 GLU A 58 11.510 -6.205 -15.955 1.00 0.00 O ATOM 971 OE2 GLU A 58 9.696 -5.225 -16.580 1.00 0.00 O ATOM 0 H GLU A 58 10.685 -6.243 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 58 9.454 -4.962 -13.751 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.950 -7.094 -13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.482 -7.955 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.640 -8.123 -15.593 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.408 -6.911 -15.304 1.00 0.00 H new ATOM 978 N THR A 59 7.471 -6.601 -11.706 1.00 0.00 N ATOM 979 CA THR A 59 6.033 -6.806 -11.390 1.00 0.00 C ATOM 980 C THR A 59 5.460 -5.540 -10.759 1.00 0.00 C ATOM 981 O THR A 59 4.294 -5.235 -10.919 1.00 0.00 O ATOM 982 CB THR A 59 5.872 -7.968 -10.411 1.00 0.00 C ATOM 983 OG1 THR A 59 6.451 -9.140 -10.969 1.00 0.00 O ATOM 984 CG2 THR A 59 4.382 -8.202 -10.153 1.00 0.00 C ATOM 0 H THR A 59 8.126 -6.971 -11.017 1.00 0.00 H new ATOM 0 HA THR A 59 5.499 -7.033 -12.313 1.00 0.00 H new ATOM 0 HB THR A 59 6.373 -7.732 -9.472 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.350 -9.886 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.259 -9.030 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.940 -7.301 -9.728 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.883 -8.442 -11.092 1.00 0.00 H new ATOM 992 N LEU A 60 6.259 -4.805 -10.024 1.00 0.00 N ATOM 993 CA LEU A 60 5.727 -3.564 -9.367 1.00 0.00 C ATOM 994 C LEU A 60 5.984 -2.329 -10.239 1.00 0.00 C ATOM 995 O LEU A 60 5.107 -1.506 -10.414 1.00 0.00 O ATOM 996 CB LEU A 60 6.407 -3.375 -7.999 1.00 0.00 C ATOM 997 CG LEU A 60 5.652 -4.159 -6.914 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.230 -3.577 -6.694 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.562 -5.635 -7.329 1.00 0.00 C ATOM 0 H LEU A 60 7.244 -5.005 -9.850 1.00 0.00 H new ATOM 0 HA LEU A 60 4.651 -3.678 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.441 -3.715 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.432 -2.316 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 60 6.197 -4.073 -5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.718 -4.150 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.307 -2.536 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.665 -3.636 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.027 -6.196 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.028 -5.715 -8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.566 -6.043 -7.443 1.00 0.00 H new ATOM 1011 N ASP A 61 7.157 -2.169 -10.787 1.00 0.00 N ATOM 1012 CA ASP A 61 7.423 -0.967 -11.633 1.00 0.00 C ATOM 1013 C ASP A 61 6.399 -0.883 -12.755 1.00 0.00 C ATOM 1014 O ASP A 61 6.427 -1.629 -13.714 1.00 0.00 O ATOM 1015 CB ASP A 61 8.836 -1.069 -12.203 1.00 0.00 C ATOM 1016 CG ASP A 61 9.301 0.304 -12.690 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.530 1.243 -12.586 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.422 0.392 -13.162 1.00 0.00 O ATOM 0 H ASP A 61 7.941 -2.814 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 61 7.341 -0.063 -11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.519 -1.445 -11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.855 -1.782 -13.027 1.00 0.00 H new ATOM 1023 N GLU A 62 5.495 0.043 -12.622 1.00 0.00 N ATOM 1024 CA GLU A 62 4.437 0.234 -13.651 1.00 0.00 C ATOM 1025 C GLU A 62 4.954 1.220 -14.685 1.00 0.00 C ATOM 1026 O GLU A 62 4.872 0.995 -15.876 1.00 0.00 O ATOM 1027 CB GLU A 62 3.170 0.782 -12.979 1.00 0.00 C ATOM 1028 CG GLU A 62 2.191 1.314 -14.034 1.00 0.00 C ATOM 1029 CD GLU A 62 0.836 1.589 -13.377 1.00 0.00 C ATOM 1030 OE1 GLU A 62 0.829 2.007 -12.231 1.00 0.00 O ATOM 1031 OE2 GLU A 62 -0.170 1.380 -14.033 1.00 0.00 O ATOM 0 H GLU A 62 5.443 0.686 -11.832 1.00 0.00 H new ATOM 0 HA GLU A 62 4.193 -0.712 -14.135 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.692 -0.004 -12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.435 1.580 -12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.583 2.227 -14.482 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.077 0.588 -14.839 1.00 0.00 H new ATOM 1038 N ASP A 63 5.502 2.307 -14.237 1.00 0.00 N ATOM 1039 CA ASP A 63 6.042 3.297 -15.193 1.00 0.00 C ATOM 1040 C ASP A 63 7.366 2.766 -15.728 1.00 0.00 C ATOM 1041 O ASP A 63 8.002 3.389 -16.556 1.00 0.00 O ATOM 1042 CB ASP A 63 6.268 4.635 -14.481 1.00 0.00 C ATOM 1043 CG ASP A 63 6.894 4.385 -13.107 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.418 3.304 -12.906 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.839 5.283 -12.282 1.00 0.00 O ATOM 0 H ASP A 63 5.599 2.551 -13.251 1.00 0.00 H new ATOM 0 HA ASP A 63 5.340 3.453 -16.012 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.921 5.271 -15.079 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.321 5.164 -14.370 1.00 0.00 H new ATOM 1050 N GLY A 64 7.801 1.619 -15.260 1.00 0.00 N ATOM 1051 CA GLY A 64 9.097 1.085 -15.761 1.00 0.00 C ATOM 1052 C GLY A 64 10.160 2.145 -15.502 1.00 0.00 C ATOM 1053 O GLY A 64 10.989 2.431 -16.342 1.00 0.00 O ATOM 0 H GLY A 64 7.322 1.044 -14.567 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.351 0.155 -15.252 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.033 0.859 -16.825 1.00 0.00 H new ATOM 1057 N ASP A 65 10.120 2.748 -14.343 1.00 0.00 N ATOM 1058 CA ASP A 65 11.109 3.822 -14.019 1.00 0.00 C ATOM 1059 C ASP A 65 12.277 3.233 -13.236 1.00 0.00 C ATOM 1060 O ASP A 65 13.227 3.919 -12.914 1.00 0.00 O ATOM 1061 CB ASP A 65 10.424 4.899 -13.175 1.00 0.00 C ATOM 1062 CG ASP A 65 9.773 4.254 -11.951 1.00 0.00 C ATOM 1063 OD1 ASP A 65 10.071 3.101 -11.684 1.00 0.00 O ATOM 1064 OD2 ASP A 65 8.986 4.923 -11.301 1.00 0.00 O ATOM 0 H ASP A 65 9.446 2.544 -13.605 1.00 0.00 H new ATOM 0 HA ASP A 65 11.483 4.259 -14.945 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.152 5.647 -12.861 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.671 5.417 -13.769 1.00 0.00 H new ATOM 1069 N GLY A 66 12.216 1.973 -12.915 1.00 0.00 N ATOM 1070 CA GLY A 66 13.330 1.363 -12.139 1.00 0.00 C ATOM 1071 C GLY A 66 13.287 1.914 -10.720 1.00 0.00 C ATOM 1072 O GLY A 66 14.187 1.713 -9.930 1.00 0.00 O ATOM 0 H GLY A 66 11.450 1.343 -13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.234 0.277 -12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.288 1.593 -12.606 1.00 0.00 H new ATOM 1076 N GLU A 67 12.229 2.610 -10.397 1.00 0.00 N ATOM 1077 CA GLU A 67 12.072 3.193 -9.031 1.00 0.00 C ATOM 1078 C GLU A 67 10.700 2.797 -8.501 1.00 0.00 C ATOM 1079 O GLU A 67 9.878 2.273 -9.228 1.00 0.00 O ATOM 1080 CB GLU A 67 12.158 4.718 -9.108 1.00 0.00 C ATOM 1081 CG GLU A 67 13.552 5.128 -9.581 1.00 0.00 C ATOM 1082 CD GLU A 67 14.576 4.816 -8.490 1.00 0.00 C ATOM 1083 OE1 GLU A 67 14.242 4.978 -7.327 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.678 4.419 -8.834 1.00 0.00 O ATOM 0 H GLU A 67 11.454 2.802 -11.032 1.00 0.00 H new ATOM 0 HA GLU A 67 12.859 2.824 -8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.403 5.101 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.951 5.154 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.808 4.595 -10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.569 6.192 -9.816 1.00 0.00 H new ATOM 1091 N CYS A 68 10.444 3.038 -7.242 1.00 0.00 N ATOM 1092 CA CYS A 68 9.113 2.670 -6.655 1.00 0.00 C ATOM 1093 C CYS A 68 8.501 3.884 -5.950 1.00 0.00 C ATOM 1094 O CYS A 68 8.692 4.081 -4.767 1.00 0.00 O ATOM 1095 CB CYS A 68 9.305 1.530 -5.649 1.00 0.00 C ATOM 1096 SG CYS A 68 9.478 -0.035 -6.541 1.00 0.00 S ATOM 0 H CYS A 68 11.097 3.474 -6.591 1.00 0.00 H new ATOM 0 HA CYS A 68 8.441 2.348 -7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.190 1.713 -5.039 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.454 1.482 -4.970 1.00 0.00 H new ATOM 0 HG CYS A 68 10.590 -0.030 -7.214 1.00 0.00 H new ATOM 1102 N ASP A 69 7.776 4.703 -6.673 1.00 0.00 N ATOM 1103 CA ASP A 69 7.150 5.906 -6.048 1.00 0.00 C ATOM 1104 C ASP A 69 6.392 5.485 -4.789 1.00 0.00 C ATOM 1105 O ASP A 69 6.428 4.342 -4.393 1.00 0.00 O ATOM 1106 CB ASP A 69 6.177 6.550 -7.037 1.00 0.00 C ATOM 1107 CG ASP A 69 5.752 7.923 -6.514 1.00 0.00 C ATOM 1108 OD1 ASP A 69 6.580 8.590 -5.917 1.00 0.00 O ATOM 1109 OD2 ASP A 69 4.605 8.285 -6.720 1.00 0.00 O ATOM 0 H ASP A 69 7.592 4.589 -7.670 1.00 0.00 H new ATOM 0 HA ASP A 69 7.926 6.625 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.649 6.652 -8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.302 5.913 -7.170 1.00 0.00 H new ATOM 1114 N PHE A 70 5.697 6.392 -4.158 1.00 0.00 N ATOM 1115 CA PHE A 70 4.942 6.039 -2.921 1.00 0.00 C ATOM 1116 C PHE A 70 3.673 5.246 -3.267 1.00 0.00 C ATOM 1117 O PHE A 70 3.204 4.436 -2.490 1.00 0.00 O ATOM 1118 CB PHE A 70 4.550 7.337 -2.190 1.00 0.00 C ATOM 1119 CG PHE A 70 4.325 8.448 -3.202 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.164 8.467 -3.986 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.285 9.456 -3.358 1.00 0.00 C ATOM 1122 CE1 PHE A 70 2.966 9.489 -4.923 1.00 0.00 C ATOM 1123 CE2 PHE A 70 5.086 10.478 -4.293 1.00 0.00 C ATOM 1124 CZ PHE A 70 3.928 10.494 -5.077 1.00 0.00 C ATOM 0 H PHE A 70 5.619 7.367 -4.447 1.00 0.00 H new ATOM 0 HA PHE A 70 5.573 5.420 -2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.645 7.177 -1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.335 7.623 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.421 7.692 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.181 9.444 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.071 9.502 -5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.827 11.255 -4.409 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.776 11.281 -5.801 1.00 0.00 H new ATOM 1134 N GLN A 71 3.101 5.497 -4.406 1.00 0.00 N ATOM 1135 CA GLN A 71 1.849 4.796 -4.792 1.00 0.00 C ATOM 1136 C GLN A 71 2.150 3.334 -5.119 1.00 0.00 C ATOM 1137 O GLN A 71 1.396 2.434 -4.790 1.00 0.00 O ATOM 1138 CB GLN A 71 1.251 5.495 -6.021 1.00 0.00 C ATOM 1139 CG GLN A 71 -0.023 4.777 -6.445 1.00 0.00 C ATOM 1140 CD GLN A 71 -0.698 5.563 -7.570 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -1.785 6.080 -7.401 1.00 0.00 O ATOM 1142 NE2 GLN A 71 -0.094 5.679 -8.721 1.00 0.00 N ATOM 0 H GLN A 71 3.450 6.164 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 71 1.138 4.828 -3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.033 6.538 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.971 5.494 -6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.210 3.767 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.700 4.682 -5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.818 5.246 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.534 6.203 -9.477 1.00 0.00 H new ATOM 1151 N GLU A 72 3.257 3.084 -5.748 1.00 0.00 N ATOM 1152 CA GLU A 72 3.626 1.688 -6.099 1.00 0.00 C ATOM 1153 C GLU A 72 4.432 1.085 -4.947 1.00 0.00 C ATOM 1154 O GLU A 72 4.282 -0.074 -4.617 1.00 0.00 O ATOM 1155 CB GLU A 72 4.432 1.740 -7.413 1.00 0.00 C ATOM 1156 CG GLU A 72 5.411 0.558 -7.554 1.00 0.00 C ATOM 1157 CD GLU A 72 6.173 0.703 -8.867 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.530 0.872 -9.889 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.393 0.651 -8.825 1.00 0.00 O ATOM 0 H GLU A 72 3.930 3.793 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 72 2.751 1.056 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.743 1.739 -8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.989 2.676 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.106 0.542 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.867 -0.386 -7.536 1.00 0.00 H new ATOM 1166 N PHE A 73 5.281 1.852 -4.325 1.00 0.00 N ATOM 1167 CA PHE A 73 6.072 1.289 -3.196 1.00 0.00 C ATOM 1168 C PHE A 73 5.110 0.656 -2.204 1.00 0.00 C ATOM 1169 O PHE A 73 5.298 -0.451 -1.754 1.00 0.00 O ATOM 1170 CB PHE A 73 6.870 2.402 -2.506 1.00 0.00 C ATOM 1171 CG PHE A 73 7.363 1.962 -1.137 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.860 0.665 -0.928 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.329 2.873 -0.071 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.319 0.290 0.340 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.792 2.495 1.191 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.286 1.206 1.397 1.00 0.00 C ATOM 0 H PHE A 73 5.461 2.832 -4.545 1.00 0.00 H new ATOM 0 HA PHE A 73 6.772 0.542 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.720 2.682 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.245 3.289 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.888 -0.042 -1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.944 3.870 -0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.699 -0.708 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.768 3.201 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.643 0.915 2.374 1.00 0.00 H new ATOM 1186 N MET A 74 4.056 1.334 -1.878 1.00 0.00 N ATOM 1187 CA MET A 74 3.086 0.728 -0.941 1.00 0.00 C ATOM 1188 C MET A 74 2.644 -0.587 -1.568 1.00 0.00 C ATOM 1189 O MET A 74 2.568 -1.615 -0.925 1.00 0.00 O ATOM 1190 CB MET A 74 1.892 1.674 -0.769 1.00 0.00 C ATOM 1191 CG MET A 74 1.101 1.351 0.525 1.00 0.00 C ATOM 1192 SD MET A 74 1.294 2.692 1.727 1.00 0.00 S ATOM 1193 CE MET A 74 -0.139 2.283 2.754 1.00 0.00 C ATOM 0 H MET A 74 3.825 2.269 -2.214 1.00 0.00 H new ATOM 0 HA MET A 74 3.522 0.556 0.043 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.244 2.705 -0.735 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.232 1.591 -1.632 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.046 1.213 0.290 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.458 0.414 0.954 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.214 2.997 3.574 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.045 2.328 2.149 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.022 1.277 3.158 1.00 0.00 H new ATOM 1203 N ALA A 75 2.352 -0.541 -2.836 1.00 0.00 N ATOM 1204 CA ALA A 75 1.909 -1.781 -3.531 1.00 0.00 C ATOM 1205 C ALA A 75 2.920 -2.907 -3.265 1.00 0.00 C ATOM 1206 O ALA A 75 2.614 -4.073 -3.423 1.00 0.00 O ATOM 1207 CB ALA A 75 1.788 -1.511 -5.034 1.00 0.00 C ATOM 0 H ALA A 75 2.400 0.295 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 75 0.934 -2.088 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.464 -2.419 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.058 -0.720 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.756 -1.202 -5.427 1.00 0.00 H new ATOM 1213 N PHE A 76 4.118 -2.578 -2.848 1.00 0.00 N ATOM 1214 CA PHE A 76 5.112 -3.663 -2.564 1.00 0.00 C ATOM 1215 C PHE A 76 4.743 -4.340 -1.246 1.00 0.00 C ATOM 1216 O PHE A 76 4.547 -5.536 -1.190 1.00 0.00 O ATOM 1217 CB PHE A 76 6.542 -3.105 -2.471 1.00 0.00 C ATOM 1218 CG PHE A 76 7.481 -4.202 -2.004 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.642 -5.360 -2.773 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.179 -4.064 -0.794 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.497 -6.378 -2.334 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.035 -5.082 -0.359 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.194 -6.238 -1.129 1.00 0.00 C ATOM 0 H PHE A 76 4.448 -1.625 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 76 5.084 -4.381 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.861 -2.727 -3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.572 -2.265 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.107 -5.468 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.055 -3.172 -0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.619 -7.273 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.573 -4.975 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.855 -7.023 -0.794 1.00 0.00 H new ATOM 1233 N VAL A 77 4.628 -3.589 -0.187 1.00 0.00 N ATOM 1234 CA VAL A 77 4.255 -4.210 1.115 1.00 0.00 C ATOM 1235 C VAL A 77 2.945 -4.982 0.934 1.00 0.00 C ATOM 1236 O VAL A 77 2.716 -6.004 1.553 1.00 0.00 O ATOM 1237 CB VAL A 77 4.063 -3.116 2.168 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.493 -3.732 3.445 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.409 -2.460 2.479 1.00 0.00 C ATOM 0 H VAL A 77 4.775 -2.580 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 77 5.044 -4.887 1.443 1.00 0.00 H new ATOM 0 HB VAL A 77 3.373 -2.364 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.356 -2.953 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.532 -4.198 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.183 -4.485 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.270 -1.681 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.101 -3.211 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.818 -2.019 1.570 1.00 0.00 H new ATOM 1249 N SER A 78 2.093 -4.494 0.081 1.00 0.00 N ATOM 1250 CA SER A 78 0.793 -5.171 -0.174 1.00 0.00 C ATOM 1251 C SER A 78 1.051 -6.528 -0.815 1.00 0.00 C ATOM 1252 O SER A 78 0.351 -7.492 -0.579 1.00 0.00 O ATOM 1253 CB SER A 78 -0.018 -4.317 -1.136 1.00 0.00 C ATOM 1254 OG SER A 78 0.496 -4.488 -2.450 1.00 0.00 O ATOM 0 H SER A 78 2.244 -3.642 -0.459 1.00 0.00 H new ATOM 0 HA SER A 78 0.252 -5.304 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.069 -4.605 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.034 -3.268 -0.844 1.00 0.00 H new ATOM 0 HG SER A 78 1.475 -4.498 -2.419 1.00 0.00 H new ATOM 1260 N MET A 79 2.070 -6.604 -1.616 1.00 0.00 N ATOM 1261 CA MET A 79 2.420 -7.885 -2.277 1.00 0.00 C ATOM 1262 C MET A 79 3.008 -8.811 -1.226 1.00 0.00 C ATOM 1263 O MET A 79 2.893 -10.018 -1.303 1.00 0.00 O ATOM 1264 CB MET A 79 3.458 -7.612 -3.376 1.00 0.00 C ATOM 1265 CG MET A 79 3.797 -8.901 -4.152 1.00 0.00 C ATOM 1266 SD MET A 79 5.530 -8.837 -4.686 1.00 0.00 S ATOM 1267 CE MET A 79 5.289 -9.374 -6.396 1.00 0.00 C ATOM 0 H MET A 79 2.684 -5.822 -1.844 1.00 0.00 H new ATOM 0 HA MET A 79 1.540 -8.345 -2.726 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.074 -6.860 -4.065 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.365 -7.203 -2.931 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.630 -9.774 -3.521 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.141 -9.003 -5.017 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.251 -9.402 -6.908 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.844 -10.369 -6.406 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.627 -8.675 -6.907 1.00 0.00 H new ATOM 1277 N VAL A 80 3.614 -8.245 -0.225 1.00 0.00 N ATOM 1278 CA VAL A 80 4.187 -9.073 0.859 1.00 0.00 C ATOM 1279 C VAL A 80 3.066 -9.343 1.838 1.00 0.00 C ATOM 1280 O VAL A 80 2.971 -10.403 2.426 1.00 0.00 O ATOM 1281 CB VAL A 80 5.307 -8.320 1.582 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.009 -9.266 2.556 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.325 -7.790 0.573 1.00 0.00 C ATOM 0 H VAL A 80 3.736 -7.239 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 80 4.605 -9.993 0.451 1.00 0.00 H new ATOM 0 HB VAL A 80 4.874 -7.481 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.807 -8.731 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.289 -9.636 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.432 -10.106 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.116 -7.257 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.756 -8.624 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.830 -7.111 -0.121 1.00 0.00 H new ATOM 1293 N THR A 81 2.199 -8.384 2.006 1.00 0.00 N ATOM 1294 CA THR A 81 1.068 -8.579 2.936 1.00 0.00 C ATOM 1295 C THR A 81 0.134 -9.608 2.328 1.00 0.00 C ATOM 1296 O THR A 81 -0.470 -10.401 3.022 1.00 0.00 O ATOM 1297 CB THR A 81 0.311 -7.260 3.118 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.234 -6.222 3.414 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.708 -7.385 4.254 1.00 0.00 C ATOM 0 H THR A 81 2.230 -7.478 1.538 1.00 0.00 H new ATOM 0 HA THR A 81 1.435 -8.914 3.906 1.00 0.00 H new ATOM 0 HB THR A 81 -0.220 -7.025 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.141 -6.591 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.239 -6.440 4.372 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.421 -8.175 4.018 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.190 -7.629 5.182 1.00 0.00 H new ATOM 1307 N THR A 82 -0.017 -9.588 1.030 1.00 0.00 N ATOM 1308 CA THR A 82 -0.946 -10.555 0.384 1.00 0.00 C ATOM 1309 C THR A 82 -0.457 -11.994 0.556 1.00 0.00 C ATOM 1310 O THR A 82 -1.240 -12.885 0.816 1.00 0.00 O ATOM 1311 CB THR A 82 -1.047 -10.212 -1.101 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.254 -9.967 -1.614 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.917 -8.958 -1.278 1.00 0.00 C ATOM 0 H THR A 82 0.460 -8.948 0.395 1.00 0.00 H new ATOM 0 HA THR A 82 -1.924 -10.481 0.859 1.00 0.00 H new ATOM 0 HB THR A 82 -1.500 -11.044 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.923 -10.248 -0.956 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.990 -8.712 -2.337 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.914 -9.148 -0.880 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.465 -8.123 -0.742 1.00 0.00 H new ATOM 1321 N ALA A 83 0.819 -12.250 0.426 1.00 0.00 N ATOM 1322 CA ALA A 83 1.301 -13.648 0.601 1.00 0.00 C ATOM 1323 C ALA A 83 1.165 -14.030 2.071 1.00 0.00 C ATOM 1324 O ALA A 83 0.936 -15.174 2.411 1.00 0.00 O ATOM 1325 CB ALA A 83 2.771 -13.739 0.181 1.00 0.00 C ATOM 0 H ALA A 83 1.538 -11.560 0.209 1.00 0.00 H new ATOM 0 HA ALA A 83 0.711 -14.326 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.123 -14.762 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.869 -13.450 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.368 -13.069 0.800 1.00 0.00 H new ATOM 1331 N CYS A 84 1.302 -13.073 2.946 1.00 0.00 N ATOM 1332 CA CYS A 84 1.176 -13.365 4.400 1.00 0.00 C ATOM 1333 C CYS A 84 -0.289 -13.663 4.728 1.00 0.00 C ATOM 1334 O CYS A 84 -0.597 -14.275 5.731 1.00 0.00 O ATOM 1335 CB CYS A 84 1.646 -12.151 5.200 1.00 0.00 C ATOM 1336 SG CYS A 84 3.404 -11.860 4.877 1.00 0.00 S ATOM 0 H CYS A 84 1.496 -12.099 2.715 1.00 0.00 H new ATOM 0 HA CYS A 84 1.789 -14.228 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.064 -11.272 4.923 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.484 -12.318 6.265 1.00 0.00 H new ATOM 0 HG CYS A 84 3.531 -11.015 3.897 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.195 -13.234 3.884 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.652 -13.483 4.127 1.00 0.00 C ATOM 1344 C HIS A 85 -3.144 -14.587 3.184 1.00 0.00 C ATOM 1345 O HIS A 85 -4.047 -15.331 3.506 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.437 -12.191 3.859 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.917 -12.481 3.829 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.616 -12.886 4.955 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -5.839 -12.437 2.812 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.899 -13.070 4.593 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.090 -12.810 3.296 1.00 0.00 N ATOM 0 H HIS A 85 -0.986 -12.717 3.030 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.804 -13.795 5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.218 -11.456 4.633 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.124 -11.756 2.910 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.228 -13.020 5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.626 -12.156 1.791 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.679 -13.389 5.268 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.562 -14.697 2.022 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.010 -15.752 1.069 1.00 0.00 C ATOM 1361 C GLU A 86 -2.488 -17.113 1.529 1.00 0.00 C ATOM 1362 O GLU A 86 -3.221 -18.079 1.597 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.469 -15.441 -0.330 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.799 -16.599 -1.276 1.00 0.00 C ATOM 1365 CD GLU A 86 -2.554 -16.165 -2.722 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -1.724 -15.294 -2.925 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -3.200 -16.710 -3.602 1.00 0.00 O ATOM 0 H GLU A 86 -1.799 -14.106 1.692 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.099 -15.774 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.908 -14.516 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.391 -15.288 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.182 -17.465 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.838 -16.902 -1.148 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.228 -17.195 1.841 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.656 -18.494 2.290 1.00 0.00 C ATOM 1376 C PHE A 87 -1.143 -18.810 3.706 1.00 0.00 C ATOM 1377 O PHE A 87 -1.274 -19.957 4.081 1.00 0.00 O ATOM 1378 CB PHE A 87 0.872 -18.411 2.283 1.00 0.00 C ATOM 1379 CG PHE A 87 1.447 -19.715 2.784 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.504 -20.827 1.934 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.923 -19.814 4.097 1.00 0.00 C ATOM 1382 CE1 PHE A 87 2.037 -22.036 2.397 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.456 -21.023 4.559 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.513 -22.134 3.710 1.00 0.00 C ATOM 0 H PHE A 87 -0.567 -16.419 1.805 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.980 -19.283 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.232 -18.206 1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.205 -17.587 2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.137 -20.752 0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.879 -18.957 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.081 -22.893 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.824 -21.099 5.572 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.924 -23.067 4.067 1.00 0.00 H new ATOM 1394 N PHE A 88 -1.410 -17.806 4.497 1.00 0.00 N ATOM 1395 CA PHE A 88 -1.886 -18.066 5.885 1.00 0.00 C ATOM 1396 C PHE A 88 -3.374 -18.408 5.859 1.00 0.00 C ATOM 1397 O PHE A 88 -3.843 -19.234 6.616 1.00 0.00 O ATOM 1398 CB PHE A 88 -1.657 -16.828 6.755 1.00 0.00 C ATOM 1399 CG PHE A 88 -1.997 -17.157 8.191 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -1.142 -17.975 8.941 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -3.167 -16.651 8.772 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -1.456 -18.285 10.269 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -3.480 -16.960 10.101 1.00 0.00 C ATOM 1404 CZ PHE A 88 -2.625 -17.777 10.849 1.00 0.00 C ATOM 0 H PHE A 88 -1.320 -16.822 4.244 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.329 -18.904 6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.619 -16.504 6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.275 -16.002 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.240 -18.367 8.494 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.828 -16.022 8.194 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.797 -18.916 10.847 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.381 -16.568 10.549 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.867 -18.016 11.874 1.00 0.00 H new ATOM 1494 N GLU B 2 7.951 -1.642 12.097 1.00 0.00 N ATOM 1495 CA GLU B 2 6.784 -0.743 11.866 1.00 0.00 C ATOM 1496 C GLU B 2 5.935 -1.289 10.713 1.00 0.00 C ATOM 1497 O GLU B 2 4.728 -1.152 10.701 1.00 0.00 O ATOM 1498 CB GLU B 2 7.285 0.659 11.515 1.00 0.00 C ATOM 1499 CG GLU B 2 7.800 1.347 12.780 1.00 0.00 C ATOM 1500 CD GLU B 2 8.313 2.745 12.432 1.00 0.00 C ATOM 1501 OE1 GLU B 2 9.415 2.838 11.916 1.00 0.00 O ATOM 1502 OE2 GLU B 2 7.597 3.700 12.688 1.00 0.00 O ATOM 0 HA GLU B 2 6.176 -0.696 12.770 1.00 0.00 H new ATOM 0 HB2 GLU B 2 8.080 0.597 10.772 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.479 1.244 11.072 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.002 1.415 13.519 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.599 0.756 13.227 1.00 0.00 H new ATOM 1509 N LEU B 3 6.556 -1.905 9.745 1.00 0.00 N ATOM 1510 CA LEU B 3 5.788 -2.456 8.589 1.00 0.00 C ATOM 1511 C LEU B 3 4.988 -3.698 9.030 1.00 0.00 C ATOM 1512 O LEU B 3 4.033 -4.080 8.388 1.00 0.00 O ATOM 1513 CB LEU B 3 6.776 -2.826 7.459 1.00 0.00 C ATOM 1514 CG LEU B 3 6.865 -1.700 6.408 1.00 0.00 C ATOM 1515 CD1 LEU B 3 7.065 -0.335 7.085 1.00 0.00 C ATOM 1516 CD2 LEU B 3 8.044 -1.973 5.465 1.00 0.00 C ATOM 0 H LEU B 3 7.565 -2.052 9.703 1.00 0.00 H new ATOM 0 HA LEU B 3 5.085 -1.707 8.224 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.763 -3.012 7.882 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.455 -3.751 6.979 1.00 0.00 H new ATOM 0 HG LEU B 3 5.932 -1.678 5.845 1.00 0.00 H new ATOM 0 HD11 LEU B 3 7.125 0.443 6.324 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.224 -0.131 7.748 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.988 -0.348 7.664 1.00 0.00 H new ATOM 0 HD21 LEU B 3 8.107 -1.178 4.722 1.00 0.00 H new ATOM 0 HD22 LEU B 3 8.969 -2.007 6.040 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.894 -2.928 4.962 1.00 0.00 H new ATOM 1528 N GLU B 4 5.357 -4.324 10.114 1.00 0.00 N ATOM 1529 CA GLU B 4 4.597 -5.526 10.567 1.00 0.00 C ATOM 1530 C GLU B 4 3.262 -5.072 11.157 1.00 0.00 C ATOM 1531 O GLU B 4 2.249 -5.727 11.010 1.00 0.00 O ATOM 1532 CB GLU B 4 5.410 -6.283 11.626 1.00 0.00 C ATOM 1533 CG GLU B 4 4.544 -7.370 12.275 1.00 0.00 C ATOM 1534 CD GLU B 4 5.430 -8.309 13.096 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.631 -8.298 12.880 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.892 -9.021 13.928 1.00 0.00 O ATOM 0 H GLU B 4 6.146 -4.058 10.703 1.00 0.00 H new ATOM 0 HA GLU B 4 4.416 -6.192 9.723 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.290 -6.734 11.167 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.767 -5.589 12.387 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.789 -6.914 12.915 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.013 -7.933 11.507 1.00 0.00 H new ATOM 1543 N LYS B 5 3.255 -3.949 11.815 1.00 0.00 N ATOM 1544 CA LYS B 5 1.989 -3.436 12.408 1.00 0.00 C ATOM 1545 C LYS B 5 1.045 -3.029 11.278 1.00 0.00 C ATOM 1546 O LYS B 5 -0.130 -3.343 11.288 1.00 0.00 O ATOM 1547 CB LYS B 5 2.316 -2.216 13.291 1.00 0.00 C ATOM 1548 CG LYS B 5 2.751 -2.686 14.701 1.00 0.00 C ATOM 1549 CD LYS B 5 3.837 -1.752 15.280 1.00 0.00 C ATOM 1550 CE LYS B 5 5.233 -2.258 14.886 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.604 -3.406 15.760 1.00 0.00 N ATOM 0 H LYS B 5 4.074 -3.361 11.969 1.00 0.00 H new ATOM 0 HA LYS B 5 1.511 -4.204 13.016 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.111 -1.628 12.833 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.443 -1.567 13.368 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.888 -2.703 15.366 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.133 -3.706 14.648 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.691 -0.738 14.909 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.750 -1.709 16.366 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.240 -2.565 13.840 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.965 -1.457 14.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.614 -3.621 15.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.418 -3.161 16.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.039 -4.239 15.497 1.00 0.00 H new ATOM 1565 N ALA B 6 1.554 -2.328 10.308 1.00 0.00 N ATOM 1566 CA ALA B 6 0.699 -1.886 9.172 1.00 0.00 C ATOM 1567 C ALA B 6 0.115 -3.098 8.450 1.00 0.00 C ATOM 1568 O ALA B 6 -1.084 -3.216 8.285 1.00 0.00 O ATOM 1569 CB ALA B 6 1.541 -1.070 8.191 1.00 0.00 C ATOM 0 H ALA B 6 2.531 -2.040 10.251 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.116 -1.274 9.558 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.917 -0.745 7.358 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.949 -0.197 8.700 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.358 -1.685 7.814 1.00 0.00 H new ATOM 1575 N MET B 7 0.945 -3.995 8.009 1.00 0.00 N ATOM 1576 CA MET B 7 0.427 -5.191 7.289 1.00 0.00 C ATOM 1577 C MET B 7 -0.682 -5.841 8.112 1.00 0.00 C ATOM 1578 O MET B 7 -1.674 -6.294 7.582 1.00 0.00 O ATOM 1579 CB MET B 7 1.559 -6.211 7.080 1.00 0.00 C ATOM 1580 CG MET B 7 2.543 -5.731 5.990 1.00 0.00 C ATOM 1581 SD MET B 7 3.190 -7.168 5.088 1.00 0.00 S ATOM 1582 CE MET B 7 4.944 -6.958 5.481 1.00 0.00 C ATOM 0 H MET B 7 1.959 -3.955 8.114 1.00 0.00 H new ATOM 0 HA MET B 7 0.037 -4.879 6.320 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.095 -6.362 8.017 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.137 -7.175 6.795 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.038 -5.053 5.302 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.362 -5.173 6.444 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.548 -7.491 4.747 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.198 -5.898 5.458 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.145 -7.358 6.475 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.522 -5.900 9.400 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.575 -6.536 10.242 1.00 0.00 C ATOM 1594 C VAL B 8 -2.813 -5.639 10.271 1.00 0.00 C ATOM 1595 O VAL B 8 -3.932 -6.098 10.165 1.00 0.00 O ATOM 1596 CB VAL B 8 -1.022 -6.731 11.664 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.165 -6.987 12.654 1.00 0.00 C ATOM 1598 CG2 VAL B 8 -0.063 -7.928 11.678 1.00 0.00 C ATOM 0 H VAL B 8 0.286 -5.539 9.907 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.855 -7.505 9.828 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.493 -5.826 11.962 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.756 -7.123 13.655 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.845 -6.135 12.652 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.708 -7.885 12.359 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.330 -8.068 12.685 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.598 -8.826 11.369 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.761 -7.742 10.990 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.616 -4.366 10.425 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.774 -3.435 10.477 1.00 0.00 C ATOM 1610 C ALA B 9 -4.592 -3.535 9.180 1.00 0.00 C ATOM 1611 O ALA B 9 -5.803 -3.413 9.193 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.258 -2.003 10.659 1.00 0.00 C ATOM 0 H ALA B 9 -1.701 -3.926 10.518 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.417 -3.703 11.315 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.102 -1.314 10.698 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.691 -1.936 11.588 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.613 -1.739 9.821 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.950 -3.735 8.057 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.719 -3.809 6.776 1.00 0.00 C ATOM 1620 C LEU B 10 -5.354 -5.195 6.596 1.00 0.00 C ATOM 1621 O LEU B 10 -6.509 -5.297 6.268 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.780 -3.495 5.593 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.763 -1.984 5.326 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -3.216 -1.252 6.553 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -2.872 -1.690 4.120 1.00 0.00 C ATOM 0 H LEU B 10 -2.940 -3.849 7.970 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.522 -3.073 6.807 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.772 -3.845 5.815 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.113 -4.027 4.702 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.778 -1.642 5.122 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.205 -0.179 6.361 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.851 -1.460 7.414 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.202 -1.595 6.759 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.860 -0.617 3.930 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.858 -2.034 4.324 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.262 -2.209 3.244 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.619 -6.257 6.780 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.205 -7.619 6.579 1.00 0.00 C ATOM 1639 C ILE B 11 -6.575 -7.702 7.263 1.00 0.00 C ATOM 1640 O ILE B 11 -7.446 -8.435 6.837 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.261 -8.671 7.176 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -3.018 -8.776 6.289 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.956 -10.036 7.227 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.937 -9.593 7.002 1.00 0.00 C ATOM 0 H ILE B 11 -3.638 -6.244 7.061 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.330 -7.807 5.513 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.983 -8.375 8.188 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.276 -9.247 5.341 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.640 -7.780 6.058 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.277 -10.775 7.652 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.850 -9.966 7.847 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.236 -10.339 6.218 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.055 -9.664 6.365 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.670 -9.104 7.939 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.315 -10.594 7.210 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.778 -6.955 8.313 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.096 -6.997 9.008 1.00 0.00 C ATOM 1658 C ASP B 12 -9.110 -6.150 8.235 1.00 0.00 C ATOM 1659 O ASP B 12 -10.189 -6.601 7.906 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.944 -6.444 10.428 1.00 0.00 C ATOM 1661 CG ASP B 12 -9.216 -6.734 11.228 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -9.294 -7.802 11.811 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -10.089 -5.882 11.245 1.00 0.00 O ATOM 0 H ASP B 12 -6.091 -6.319 8.719 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.447 -8.028 9.056 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.083 -6.899 10.917 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.760 -5.370 10.394 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.768 -4.928 7.936 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.704 -4.051 7.175 1.00 0.00 C ATOM 1670 C VAL B 13 -9.712 -4.489 5.705 1.00 0.00 C ATOM 1671 O VAL B 13 -10.669 -4.284 4.988 1.00 0.00 O ATOM 1672 CB VAL B 13 -9.256 -2.584 7.309 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.983 -1.700 6.288 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -9.578 -2.090 8.721 1.00 0.00 C ATOM 0 H VAL B 13 -7.878 -4.497 8.186 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.714 -4.139 7.574 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.184 -2.525 7.122 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.652 -0.667 6.400 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -9.756 -2.047 5.280 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.058 -1.757 6.458 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -9.263 -1.051 8.824 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -10.651 -2.163 8.896 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -9.049 -2.703 9.450 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.645 -5.089 5.255 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.594 -5.537 3.833 1.00 0.00 C ATOM 1686 C PHE B 14 -9.543 -6.730 3.623 1.00 0.00 C ATOM 1687 O PHE B 14 -10.313 -6.760 2.685 1.00 0.00 O ATOM 1688 CB PHE B 14 -7.152 -5.936 3.473 1.00 0.00 C ATOM 1689 CG PHE B 14 -7.131 -6.786 2.217 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.783 -6.341 1.063 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.472 -8.025 2.216 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.778 -7.130 -0.091 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -6.465 -8.811 1.060 1.00 0.00 C ATOM 1694 CZ PHE B 14 -7.120 -8.364 -0.092 1.00 0.00 C ATOM 0 H PHE B 14 -7.810 -5.288 5.806 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.912 -4.720 3.185 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.548 -5.041 3.323 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.704 -6.488 4.300 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -8.291 -5.388 1.063 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.971 -8.371 3.108 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -8.282 -6.786 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.954 -9.763 1.057 1.00 0.00 H new ATOM 0 HZ PHE B 14 -7.118 -8.973 -0.984 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.476 -7.718 4.471 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.353 -8.915 4.297 1.00 0.00 C ATOM 1706 C HIS B 15 -11.802 -8.590 4.703 1.00 0.00 C ATOM 1707 O HIS B 15 -12.741 -9.085 4.113 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.801 -10.067 5.166 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.009 -11.397 4.483 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.582 -12.480 5.131 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -9.715 -11.833 3.214 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.612 -13.505 4.259 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.096 -13.164 3.075 1.00 0.00 N ATOM 0 H HIS B 15 -8.853 -7.751 5.278 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.356 -9.212 3.248 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.739 -9.911 5.353 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.299 -10.069 6.136 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -10.919 -12.497 6.093 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.257 -11.233 2.441 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -11.005 -14.484 4.489 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.994 -7.778 5.708 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.385 -7.448 6.144 1.00 0.00 C ATOM 1723 C GLN B 16 -14.119 -6.685 5.036 1.00 0.00 C ATOM 1724 O GLN B 16 -15.282 -6.924 4.763 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.326 -6.578 7.405 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.987 -7.449 8.615 1.00 0.00 C ATOM 1727 CD GLN B 16 -12.773 -6.560 9.842 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -12.092 -5.556 9.766 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -13.329 -6.886 10.976 1.00 0.00 N ATOM 0 H GLN B 16 -11.252 -7.330 6.245 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.922 -8.373 6.355 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.575 -5.797 7.285 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.283 -6.079 7.560 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.793 -8.158 8.803 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.089 -8.033 8.415 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -13.901 -7.728 11.040 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.192 -6.299 11.799 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.445 -5.791 4.375 1.00 0.00 N ATOM 1739 CA TYR B 17 -14.104 -5.033 3.276 1.00 0.00 C ATOM 1740 C TYR B 17 -14.096 -5.900 2.022 1.00 0.00 C ATOM 1741 O TYR B 17 -15.125 -6.154 1.429 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.352 -3.714 3.041 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.850 -2.672 4.023 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.432 -2.712 5.358 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.739 -1.675 3.598 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.899 -1.757 6.269 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.206 -0.719 4.509 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.786 -0.761 5.845 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.248 0.179 6.743 1.00 0.00 O ATOM 0 H TYR B 17 -12.468 -5.551 4.546 1.00 0.00 H new ATOM 0 HA TYR B 17 -15.134 -4.792 3.537 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.280 -3.866 3.167 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.508 -3.370 2.018 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.748 -3.481 5.686 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.064 -1.644 2.568 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.575 -1.789 7.299 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -15.890 0.050 4.182 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.570 0.333 7.434 1.00 0.00 H new ATOM 1759 N SER B 18 -12.957 -6.386 1.627 1.00 0.00 N ATOM 1760 CA SER B 18 -12.919 -7.266 0.433 1.00 0.00 C ATOM 1761 C SER B 18 -13.865 -8.440 0.688 1.00 0.00 C ATOM 1762 O SER B 18 -14.442 -9.002 -0.220 1.00 0.00 O ATOM 1763 CB SER B 18 -11.498 -7.786 0.222 1.00 0.00 C ATOM 1764 OG SER B 18 -10.587 -6.696 0.273 1.00 0.00 O ATOM 0 H SER B 18 -12.057 -6.214 2.075 1.00 0.00 H new ATOM 0 HA SER B 18 -13.224 -6.716 -0.457 1.00 0.00 H new ATOM 0 HB2 SER B 18 -11.249 -8.519 0.989 1.00 0.00 H new ATOM 0 HB3 SER B 18 -11.423 -8.293 -0.740 1.00 0.00 H new ATOM 0 HG SER B 18 -9.836 -6.925 0.859 1.00 0.00 H new ATOM 1770 N GLY B 19 -14.026 -8.806 1.934 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.931 -9.937 2.286 1.00 0.00 C ATOM 1772 C GLY B 19 -16.350 -9.416 2.526 1.00 0.00 C ATOM 1773 O GLY B 19 -17.232 -10.156 2.912 1.00 0.00 O ATOM 0 H GLY B 19 -13.564 -8.364 2.729 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.936 -10.673 1.482 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -14.564 -10.443 3.179 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.589 -8.152 2.290 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.960 -7.606 2.494 1.00 0.00 C ATOM 1779 C ARG B 20 -18.883 -8.141 1.401 1.00 0.00 C ATOM 1780 O ARG B 20 -19.944 -8.668 1.671 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.918 -6.078 2.413 1.00 0.00 C ATOM 1782 CG ARG B 20 -19.297 -5.496 2.738 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.265 -3.977 2.553 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.559 -3.399 3.007 1.00 0.00 N ATOM 1785 CZ ARG B 20 -21.636 -3.575 2.293 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -21.573 -4.250 1.177 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -22.774 -3.077 2.692 1.00 0.00 N ATOM 0 H ARG B 20 -15.896 -7.478 1.966 1.00 0.00 H new ATOM 0 HA ARG B 20 -18.331 -7.910 3.473 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -17.177 -5.689 3.111 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.609 -5.767 1.415 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -20.052 -5.937 2.087 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.576 -5.743 3.762 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.441 -3.547 3.123 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.091 -3.730 1.506 1.00 0.00 H new ATOM 0 HE ARG B 20 -20.603 -2.866 3.875 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -20.683 -4.638 0.865 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -22.414 -4.389 0.617 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.822 -2.549 3.563 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -23.615 -3.215 2.132 1.00 0.00 H new ATOM 1801 N GLU B 21 -18.493 -7.997 0.165 1.00 0.00 N ATOM 1802 CA GLU B 21 -19.359 -8.489 -0.953 1.00 0.00 C ATOM 1803 C GLU B 21 -18.503 -8.904 -2.155 1.00 0.00 C ATOM 1804 O GLU B 21 -17.324 -8.619 -2.226 1.00 0.00 O ATOM 1805 CB GLU B 21 -20.310 -7.370 -1.382 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.520 -6.072 -1.561 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.409 -5.019 -2.226 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.457 -4.725 -1.678 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.024 -4.523 -3.273 1.00 0.00 O ATOM 0 H GLU B 21 -17.616 -7.562 -0.123 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.924 -9.354 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.807 -7.638 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -21.090 -7.234 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.171 -5.710 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.635 -6.254 -2.171 1.00 0.00 H new ATOM 1816 N GLY B 22 -19.104 -9.574 -3.105 1.00 0.00 N ATOM 1817 CA GLY B 22 -18.356 -10.012 -4.318 1.00 0.00 C ATOM 1818 C GLY B 22 -17.141 -10.849 -3.918 1.00 0.00 C ATOM 1819 O GLY B 22 -17.145 -11.533 -2.914 1.00 0.00 O ATOM 0 H GLY B 22 -20.089 -9.838 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -19.010 -10.595 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -18.034 -9.141 -4.889 1.00 0.00 H new ATOM 1823 N ASP B 23 -16.099 -10.804 -4.707 1.00 0.00 N ATOM 1824 CA ASP B 23 -14.878 -11.600 -4.391 1.00 0.00 C ATOM 1825 C ASP B 23 -14.516 -11.424 -2.913 1.00 0.00 C ATOM 1826 O ASP B 23 -15.029 -10.556 -2.235 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.717 -11.126 -5.277 1.00 0.00 C ATOM 1828 CG ASP B 23 -13.801 -11.803 -6.649 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -13.511 -12.986 -6.721 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -14.153 -11.126 -7.601 1.00 0.00 O ATOM 0 H ASP B 23 -16.042 -10.247 -5.560 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.070 -12.655 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.755 -10.043 -5.393 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.765 -11.363 -4.802 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.651 -12.262 -2.408 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.260 -12.180 -0.968 1.00 0.00 C ATOM 1837 C LYS B 24 -11.936 -11.421 -0.796 1.00 0.00 C ATOM 1838 O LYS B 24 -11.585 -11.044 0.304 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.103 -13.607 -0.425 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.181 -13.599 1.108 1.00 0.00 C ATOM 1841 CD LYS B 24 -12.602 -14.906 1.660 1.00 0.00 C ATOM 1842 CE LYS B 24 -13.384 -16.093 1.094 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.053 -17.320 1.872 1.00 0.00 N ATOM 0 H LYS B 24 -13.194 -13.006 -2.935 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.033 -11.641 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.884 -14.248 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -12.148 -14.024 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -12.628 -12.748 1.506 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -14.216 -13.484 1.429 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.549 -14.991 1.392 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -12.655 -14.908 2.749 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -14.455 -15.895 1.145 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.136 -16.238 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -13.584 -18.128 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -12.033 -17.511 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -13.311 -17.179 2.870 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.181 -11.208 -1.855 1.00 0.00 N ATOM 1858 CA HIS B 25 -9.865 -10.495 -1.713 1.00 0.00 C ATOM 1859 C HIS B 25 -9.773 -9.307 -2.669 1.00 0.00 C ATOM 1860 O HIS B 25 -8.693 -8.893 -3.043 1.00 0.00 O ATOM 1861 CB HIS B 25 -8.732 -11.483 -2.008 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.041 -12.810 -1.366 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -8.828 -13.051 -0.013 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -9.546 -13.980 -1.881 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.202 -14.321 0.235 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -9.644 -14.926 -0.868 1.00 0.00 N ATOM 0 H HIS B 25 -11.418 -11.495 -2.805 1.00 0.00 H new ATOM 0 HA HIS B 25 -9.781 -10.114 -0.695 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.614 -11.607 -3.085 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -7.788 -11.094 -1.627 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.823 -14.139 -2.913 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.150 -14.791 1.206 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.984 -15.884 -0.951 1.00 0.00 H new ATOM 1874 N LYS B 26 -10.883 -8.727 -3.042 1.00 0.00 N ATOM 1875 CA LYS B 26 -10.852 -7.535 -3.941 1.00 0.00 C ATOM 1876 C LYS B 26 -11.851 -6.522 -3.401 1.00 0.00 C ATOM 1877 O LYS B 26 -12.853 -6.878 -2.815 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.248 -7.926 -5.367 1.00 0.00 C ATOM 1879 CG LYS B 26 -10.275 -8.974 -5.914 1.00 0.00 C ATOM 1880 CD LYS B 26 -10.822 -9.548 -7.226 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.992 -8.428 -8.257 1.00 0.00 C ATOM 1882 NZ LYS B 26 -11.074 -9.017 -9.623 1.00 0.00 N ATOM 0 H LYS B 26 -11.816 -9.029 -2.761 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.845 -7.118 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -12.264 -8.322 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -11.244 -7.045 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.297 -8.524 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.137 -9.773 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.142 -10.308 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.779 -10.037 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.894 -7.855 -8.042 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.153 -7.735 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -11.189 -8.256 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.201 -9.545 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.889 -9.661 -9.675 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.589 -5.260 -3.586 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.531 -4.220 -3.073 1.00 0.00 C ATOM 1898 C LEU B 27 -13.534 -3.831 -4.163 1.00 0.00 C ATOM 1899 O LEU B 27 -13.188 -3.568 -5.300 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.752 -2.957 -2.635 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.312 -3.055 -1.159 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.060 -3.924 -1.046 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -11.011 -1.651 -0.632 1.00 0.00 C ATOM 0 H LEU B 27 -10.766 -4.901 -4.069 1.00 0.00 H new ATOM 0 HA LEU B 27 -13.062 -4.635 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.876 -2.829 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.377 -2.075 -2.773 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.111 -3.506 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -9.755 -3.989 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -10.276 -4.923 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.255 -3.480 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -10.699 -1.713 0.411 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -10.212 -1.204 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.907 -1.034 -0.707 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.772 -3.748 -3.770 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.863 -3.325 -4.697 1.00 0.00 C ATOM 1917 C LYS B 28 -16.152 -1.852 -4.394 1.00 0.00 C ATOM 1918 O LYS B 28 -15.937 -1.406 -3.289 1.00 0.00 O ATOM 1919 CB LYS B 28 -17.123 -4.172 -4.433 1.00 0.00 C ATOM 1920 CG LYS B 28 -17.075 -5.470 -5.250 1.00 0.00 C ATOM 1921 CD LYS B 28 -15.785 -6.242 -4.933 1.00 0.00 C ATOM 1922 CE LYS B 28 -15.793 -7.629 -5.614 1.00 0.00 C ATOM 1923 NZ LYS B 28 -14.555 -7.774 -6.431 1.00 0.00 N ATOM 0 H LYS B 28 -15.084 -3.960 -2.822 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.573 -3.461 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.196 -4.406 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -18.014 -3.602 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -17.944 -6.087 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.120 -5.241 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.921 -5.670 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.684 -6.362 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.843 -8.417 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.675 -7.734 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.375 -8.782 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.676 -7.275 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.749 -7.366 -5.916 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.619 -1.083 -5.346 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.896 0.364 -5.060 1.00 0.00 C ATOM 1939 C LYS B 29 -17.607 0.492 -3.707 1.00 0.00 C ATOM 1940 O LYS B 29 -17.198 1.247 -2.847 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.787 0.955 -6.160 1.00 0.00 C ATOM 1942 CG LYS B 29 -16.993 1.110 -7.471 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.643 2.186 -8.350 1.00 0.00 C ATOM 1944 CE LYS B 29 -17.150 2.045 -9.791 1.00 0.00 C ATOM 1945 NZ LYS B 29 -15.659 2.021 -9.807 1.00 0.00 N ATOM 0 H LYS B 29 -16.819 -1.387 -6.299 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.952 0.908 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.649 0.309 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.171 1.925 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.961 1.382 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.966 0.160 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.728 2.090 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.399 3.177 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.544 1.130 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.517 2.875 -10.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.308 2.729 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.298 2.241 -8.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.330 1.077 -10.093 1.00 0.00 H new ATOM 1959 N SER B 30 -18.659 -0.251 -3.513 1.00 0.00 N ATOM 1960 CA SER B 30 -19.390 -0.187 -2.215 1.00 0.00 C ATOM 1961 C SER B 30 -18.389 -0.307 -1.058 1.00 0.00 C ATOM 1962 O SER B 30 -18.703 -0.023 0.072 1.00 0.00 O ATOM 1963 CB SER B 30 -20.394 -1.338 -2.135 1.00 0.00 C ATOM 1964 OG SER B 30 -21.382 -1.169 -3.142 1.00 0.00 O ATOM 0 H SER B 30 -19.046 -0.901 -4.197 1.00 0.00 H new ATOM 0 HA SER B 30 -19.919 0.764 -2.145 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.883 -2.292 -2.267 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.861 -1.360 -1.151 1.00 0.00 H new ATOM 0 HG SER B 30 -22.026 -1.906 -3.095 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.181 -0.705 -1.352 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.132 -0.831 -0.285 1.00 0.00 C ATOM 1972 C GLU B 31 -15.206 0.373 -0.340 1.00 0.00 C ATOM 1973 O GLU B 31 -14.808 0.902 0.674 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.328 -2.114 -0.496 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.288 -3.300 -0.598 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.491 -4.590 -0.789 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.389 -4.664 -0.272 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.996 -5.483 -1.451 1.00 0.00 O ATOM 0 H GLU B 31 -16.868 -0.951 -2.291 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.614 -0.872 0.692 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.729 -2.037 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.634 -2.263 0.332 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.897 -3.367 0.304 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.972 -3.156 -1.434 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.857 0.811 -1.509 1.00 0.00 N ATOM 1986 CA LEU B 32 -13.947 1.979 -1.610 1.00 0.00 C ATOM 1987 C LEU B 32 -14.667 3.229 -1.109 1.00 0.00 C ATOM 1988 O LEU B 32 -14.138 3.971 -0.312 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.485 2.137 -3.076 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.032 2.631 -3.138 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.556 2.640 -4.594 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -11.951 4.047 -2.569 1.00 0.00 C ATOM 0 H LEU B 32 -15.160 0.414 -2.398 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.064 1.829 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.572 1.182 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.136 2.841 -3.594 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.398 1.966 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.525 2.991 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.614 1.631 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.190 3.305 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.920 4.398 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.586 4.711 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.289 4.043 -1.533 1.00 0.00 H new ATOM 2004 N LYS B 33 -15.867 3.468 -1.536 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.579 4.670 -1.033 1.00 0.00 C ATOM 2006 C LYS B 33 -16.989 4.422 0.425 1.00 0.00 C ATOM 2007 O LYS B 33 -16.989 5.324 1.240 1.00 0.00 O ATOM 2008 CB LYS B 33 -17.808 4.946 -1.912 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.645 6.111 -1.328 1.00 0.00 C ATOM 2010 CD LYS B 33 -19.825 5.562 -0.506 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.002 5.230 -1.427 1.00 0.00 C ATOM 2012 NZ LYS B 33 -21.735 6.483 -1.766 1.00 0.00 N ATOM 0 H LYS B 33 -16.383 2.894 -2.203 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.930 5.544 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.490 5.192 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.422 4.048 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.016 6.740 -0.698 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -19.018 6.741 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -19.515 4.669 0.037 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.132 6.297 0.238 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -20.642 4.749 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.673 4.524 -0.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -22.759 6.316 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -21.460 7.236 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -21.498 6.772 -2.737 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.351 3.206 0.760 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.767 2.926 2.173 1.00 0.00 C ATOM 2028 C GLU B 34 -16.535 2.852 3.071 1.00 0.00 C ATOM 2029 O GLU B 34 -16.577 3.220 4.228 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.523 1.604 2.264 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.055 1.422 3.688 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.034 0.247 3.725 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -20.083 -0.489 2.753 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.717 0.103 4.725 1.00 0.00 O ATOM 0 H GLU B 34 -17.377 2.406 0.128 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.421 3.734 2.500 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.348 1.594 1.551 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.864 0.776 2.001 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.228 1.241 4.375 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.552 2.333 4.020 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.432 2.405 2.544 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.197 2.339 3.369 1.00 0.00 C ATOM 2043 C LEU B 35 -13.745 3.770 3.627 1.00 0.00 C ATOM 2044 O LEU B 35 -13.145 4.082 4.637 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.113 1.569 2.607 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.766 1.650 3.353 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.929 1.167 4.798 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.744 0.769 2.631 1.00 0.00 C ATOM 0 H LEU B 35 -15.332 2.084 1.581 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.382 1.824 4.312 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.411 0.527 2.494 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.005 1.980 1.603 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.424 2.685 3.367 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.970 1.230 5.313 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.658 1.794 5.311 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.275 0.133 4.799 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.788 0.820 3.151 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.096 -0.262 2.619 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.619 1.121 1.607 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.048 4.643 2.710 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.666 6.066 2.867 1.00 0.00 C ATOM 2062 C ILE B 36 -14.628 6.745 3.852 1.00 0.00 C ATOM 2063 O ILE B 36 -14.228 7.561 4.659 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.726 6.749 1.498 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.555 6.256 0.640 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.616 8.263 1.666 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.789 6.653 -0.820 1.00 0.00 C ATOM 0 H ILE B 36 -14.550 4.426 1.849 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.653 6.145 3.260 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.674 6.507 1.017 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.620 6.686 1.000 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.460 5.173 0.723 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.659 8.742 0.688 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.440 8.622 2.282 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.669 8.508 2.148 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.957 6.303 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.715 6.202 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.862 7.738 -0.895 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.890 6.414 3.794 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.882 7.035 4.727 1.00 0.00 C ATOM 2081 C ASN B 37 -16.946 6.287 6.072 1.00 0.00 C ATOM 2082 O ASN B 37 -17.347 6.843 7.073 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.265 7.008 4.073 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.287 7.654 5.012 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -19.689 8.782 4.805 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -19.727 6.983 6.040 1.00 0.00 N ATOM 0 H ASN B 37 -16.281 5.737 3.138 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.567 8.059 4.925 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.240 7.542 3.123 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.555 5.980 3.854 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -20.409 7.405 6.671 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -19.389 6.036 6.213 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.644 5.011 6.093 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.789 4.240 7.378 1.00 0.00 C ATOM 2095 C ASN B 38 -15.543 4.315 8.278 1.00 0.00 C ATOM 2096 O ASN B 38 -15.665 4.532 9.467 1.00 0.00 O ATOM 2097 CB ASN B 38 -17.070 2.774 7.045 1.00 0.00 C ATOM 2098 CG ASN B 38 -17.320 1.997 8.339 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -16.449 1.900 9.180 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -18.482 1.437 8.535 1.00 0.00 N ATOM 0 H ASN B 38 -16.309 4.474 5.293 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.611 4.693 7.932 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.937 2.699 6.389 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.225 2.344 6.507 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -18.659 0.918 9.395 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -19.213 1.519 7.829 1.00 0.00 H new ATOM 2107 N GLU B 39 -14.359 4.121 7.752 1.00 0.00 N ATOM 2108 CA GLU B 39 -13.126 4.162 8.619 1.00 0.00 C ATOM 2109 C GLU B 39 -12.300 5.398 8.278 1.00 0.00 C ATOM 2110 O GLU B 39 -11.877 6.138 9.142 1.00 0.00 O ATOM 2111 CB GLU B 39 -12.291 2.902 8.354 1.00 0.00 C ATOM 2112 CG GLU B 39 -11.290 2.694 9.494 1.00 0.00 C ATOM 2113 CD GLU B 39 -12.027 2.172 10.729 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -12.189 0.966 10.833 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -12.417 2.985 11.551 1.00 0.00 O ATOM 0 H GLU B 39 -14.186 3.936 6.764 1.00 0.00 H new ATOM 0 HA GLU B 39 -13.416 4.203 9.669 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.944 2.033 8.268 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.762 2.998 7.406 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.519 1.986 9.191 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.787 3.633 9.727 1.00 0.00 H new ATOM 2122 N LEU B 40 -12.070 5.618 7.022 1.00 0.00 N ATOM 2123 CA LEU B 40 -11.272 6.796 6.595 1.00 0.00 C ATOM 2124 C LEU B 40 -12.180 8.037 6.622 1.00 0.00 C ATOM 2125 O LEU B 40 -11.991 8.982 5.884 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.744 6.513 5.164 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.207 6.400 5.133 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -8.547 7.653 5.761 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.768 5.123 5.876 1.00 0.00 C ATOM 0 H LEU B 40 -12.404 5.026 6.261 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.426 6.977 7.258 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.184 5.588 4.790 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -11.063 7.311 4.494 1.00 0.00 H new ATOM 0 HG LEU B 40 -8.880 6.339 4.095 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.463 7.549 5.727 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -8.844 8.540 5.201 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.870 7.753 6.797 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.681 5.044 5.853 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -9.107 5.169 6.911 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.205 4.251 5.390 1.00 0.00 H new ATOM 2141 N SER B 41 -13.175 8.025 7.468 1.00 0.00 N ATOM 2142 CA SER B 41 -14.120 9.179 7.555 1.00 0.00 C ATOM 2143 C SER B 41 -13.568 10.270 8.489 1.00 0.00 C ATOM 2144 O SER B 41 -14.034 11.393 8.472 1.00 0.00 O ATOM 2145 CB SER B 41 -15.476 8.671 8.075 1.00 0.00 C ATOM 2146 OG SER B 41 -16.493 9.038 7.151 1.00 0.00 O ATOM 0 H SER B 41 -13.376 7.258 8.109 1.00 0.00 H new ATOM 0 HA SER B 41 -14.243 9.618 6.565 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.451 7.588 8.197 1.00 0.00 H new ATOM 0 HB3 SER B 41 -15.687 9.097 9.056 1.00 0.00 H new ATOM 0 HG SER B 41 -17.217 8.379 7.183 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.596 9.958 9.312 1.00 0.00 N ATOM 2153 CA HIS B 42 -12.040 10.986 10.251 1.00 0.00 C ATOM 2154 C HIS B 42 -10.728 11.550 9.699 1.00 0.00 C ATOM 2155 O HIS B 42 -10.334 12.651 10.031 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.775 10.333 11.611 1.00 0.00 C ATOM 2157 CG HIS B 42 -13.079 10.108 12.326 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -13.398 8.894 12.920 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -14.154 10.931 12.553 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -14.620 9.022 13.471 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -15.122 10.241 13.274 1.00 0.00 N ATOM 0 H HIS B 42 -12.163 9.037 9.375 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.759 11.798 10.359 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.255 9.385 11.475 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -11.125 10.970 12.211 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -14.235 11.956 12.223 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -15.130 8.235 14.006 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -16.027 10.594 13.587 1.00 0.00 H new ATOM 2170 N PHE B 43 -10.048 10.808 8.861 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.754 11.301 8.287 1.00 0.00 C ATOM 2172 C PHE B 43 -9.006 11.794 6.862 1.00 0.00 C ATOM 2173 O PHE B 43 -8.643 12.898 6.508 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.724 10.140 8.289 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.649 10.385 9.332 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -6.958 10.283 10.694 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.347 10.716 8.934 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.967 10.512 11.657 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -4.356 10.945 9.896 1.00 0.00 C ATOM 2180 CZ PHE B 43 -4.667 10.843 11.258 1.00 0.00 C ATOM 0 H PHE B 43 -10.332 9.880 8.548 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.357 12.122 8.884 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.230 9.197 8.495 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.268 10.049 7.303 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -7.961 10.028 11.002 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.108 10.795 7.884 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -6.206 10.433 12.707 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.353 11.200 9.588 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.903 11.020 12.001 1.00 0.00 H new ATOM 2190 N LEU B 44 -9.634 10.997 6.042 1.00 0.00 N ATOM 2191 CA LEU B 44 -9.911 11.444 4.649 1.00 0.00 C ATOM 2192 C LEU B 44 -11.279 12.129 4.622 1.00 0.00 C ATOM 2193 O LEU B 44 -12.208 11.703 5.277 1.00 0.00 O ATOM 2194 CB LEU B 44 -9.913 10.232 3.713 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.235 10.656 2.271 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -9.247 11.734 1.791 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -10.133 9.426 1.356 1.00 0.00 C ATOM 0 H LEU B 44 -9.965 10.061 6.275 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.142 12.142 4.317 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -8.940 9.742 3.744 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -10.648 9.504 4.055 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.243 11.069 2.237 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.491 12.021 0.768 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.317 12.607 2.440 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.232 11.338 1.824 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.360 9.716 0.330 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.123 9.020 1.403 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.844 8.668 1.684 1.00 0.00 H new ATOM 2209 N GLU B 45 -11.405 13.196 3.886 1.00 0.00 N ATOM 2210 CA GLU B 45 -12.712 13.916 3.837 1.00 0.00 C ATOM 2211 C GLU B 45 -13.844 12.915 3.594 1.00 0.00 C ATOM 2212 O GLU B 45 -13.769 12.077 2.719 1.00 0.00 O ATOM 2213 CB GLU B 45 -12.688 14.941 2.700 1.00 0.00 C ATOM 2214 CG GLU B 45 -11.798 16.121 3.091 1.00 0.00 C ATOM 2215 CD GLU B 45 -11.688 17.091 1.913 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -12.341 16.849 0.911 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -10.953 18.057 2.032 1.00 0.00 O ATOM 0 H GLU B 45 -10.663 13.602 3.316 1.00 0.00 H new ATOM 0 HA GLU B 45 -12.877 14.426 4.786 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -12.314 14.478 1.787 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.699 15.289 2.490 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.215 16.632 3.959 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.808 15.765 3.376 1.00 0.00 H new ATOM 2224 N GLU B 46 -14.888 12.996 4.375 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.027 12.048 4.205 1.00 0.00 C ATOM 2226 C GLU B 46 -16.616 12.184 2.800 1.00 0.00 C ATOM 2227 O GLU B 46 -17.523 12.956 2.567 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.108 12.360 5.242 1.00 0.00 C ATOM 2229 CG GLU B 46 -18.175 11.265 5.210 1.00 0.00 C ATOM 2230 CD GLU B 46 -19.266 11.585 6.235 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -18.921 12.015 7.323 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -20.428 11.393 5.914 1.00 0.00 O ATOM 0 H GLU B 46 -15.001 13.679 5.124 1.00 0.00 H new ATOM 0 HA GLU B 46 -15.667 11.029 4.344 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -16.666 12.423 6.236 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.560 13.329 5.032 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -18.608 11.194 4.212 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.725 10.297 5.432 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.110 11.429 1.864 1.00 0.00 N ATOM 2240 CA ILE B 47 -16.639 11.499 0.474 1.00 0.00 C ATOM 2241 C ILE B 47 -18.107 11.044 0.484 1.00 0.00 C ATOM 2242 O ILE B 47 -18.430 9.970 0.952 1.00 0.00 O ATOM 2243 CB ILE B 47 -15.767 10.589 -0.431 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -14.638 11.417 -1.066 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -16.593 9.932 -1.544 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -13.599 10.494 -1.721 1.00 0.00 C ATOM 0 H ILE B 47 -15.349 10.764 2.004 1.00 0.00 H new ATOM 0 HA ILE B 47 -16.598 12.516 0.084 1.00 0.00 H new ATOM 0 HB ILE B 47 -15.353 9.801 0.197 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -15.052 12.096 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -14.158 12.033 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -15.945 9.303 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -17.379 9.321 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -17.042 10.705 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -12.807 11.096 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -13.172 9.833 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.080 9.897 -2.496 1.00 0.00 H new ATOM 2258 N LYS B 48 -18.991 11.861 -0.031 1.00 0.00 N ATOM 2259 CA LYS B 48 -20.444 11.504 -0.063 1.00 0.00 C ATOM 2260 C LYS B 48 -20.853 11.175 -1.499 1.00 0.00 C ATOM 2261 O LYS B 48 -21.871 10.557 -1.739 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.266 12.697 0.432 1.00 0.00 C ATOM 2263 CG LYS B 48 -20.636 13.263 1.705 1.00 0.00 C ATOM 2264 CD LYS B 48 -21.476 14.435 2.211 1.00 0.00 C ATOM 2265 CE LYS B 48 -20.998 14.839 3.606 1.00 0.00 C ATOM 2266 NZ LYS B 48 -21.802 15.997 4.089 1.00 0.00 N ATOM 0 H LYS B 48 -18.766 12.770 -0.435 1.00 0.00 H new ATOM 0 HA LYS B 48 -20.623 10.640 0.577 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.308 13.467 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.292 12.387 0.629 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -20.576 12.488 2.469 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -19.617 13.592 1.504 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -21.391 15.279 1.527 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -22.529 14.155 2.242 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -21.099 14.000 4.294 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -19.941 15.103 3.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -21.478 16.273 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -21.684 16.798 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -22.806 15.729 4.130 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.063 11.584 -2.456 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.392 11.302 -3.886 1.00 0.00 C ATOM 2282 C GLU B 49 -19.594 10.085 -4.355 1.00 0.00 C ATOM 2283 O GLU B 49 -18.496 9.839 -3.899 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.021 12.519 -4.738 1.00 0.00 C ATOM 2285 CG GLU B 49 -20.612 12.365 -6.141 1.00 0.00 C ATOM 2286 CD GLU B 49 -22.134 12.501 -6.077 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -22.606 13.624 -5.994 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -22.802 11.480 -6.109 1.00 0.00 O ATOM 0 H GLU B 49 -19.198 12.105 -2.309 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.458 11.099 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -20.397 13.430 -4.272 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -18.937 12.616 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -20.197 13.123 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -20.341 11.394 -6.556 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.141 9.317 -5.259 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.421 8.107 -5.763 1.00 0.00 C ATOM 2297 C GLN B 50 -18.676 8.450 -7.054 1.00 0.00 C ATOM 2298 O GLN B 50 -17.663 7.864 -7.374 1.00 0.00 O ATOM 2299 CB GLN B 50 -20.439 7.001 -6.048 1.00 0.00 C ATOM 2300 CG GLN B 50 -21.576 7.567 -6.901 1.00 0.00 C ATOM 2301 CD GLN B 50 -22.521 6.438 -7.317 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -22.154 5.281 -7.288 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -23.732 6.730 -7.705 1.00 0.00 N ATOM 0 H GLN B 50 -21.060 9.475 -5.673 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.706 7.771 -5.012 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -19.957 6.173 -6.567 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.834 6.604 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -22.123 8.324 -6.339 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -21.170 8.059 -7.785 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -24.039 7.702 -7.729 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -24.371 5.986 -7.984 1.00 0.00 H new ATOM 2312 N GLU B 51 -19.177 9.393 -7.804 1.00 0.00 N ATOM 2313 CA GLU B 51 -18.509 9.768 -9.078 1.00 0.00 C ATOM 2314 C GLU B 51 -17.024 9.993 -8.831 1.00 0.00 C ATOM 2315 O GLU B 51 -16.203 9.769 -9.698 1.00 0.00 O ATOM 2316 CB GLU B 51 -19.138 11.048 -9.633 1.00 0.00 C ATOM 2317 CG GLU B 51 -20.654 10.873 -9.732 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.976 9.734 -10.701 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -20.634 9.857 -11.865 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -21.560 8.757 -10.261 1.00 0.00 O ATOM 0 H GLU B 51 -20.023 9.920 -7.587 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.636 8.962 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.901 11.892 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.723 11.273 -10.615 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -21.070 10.656 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -21.116 11.799 -10.076 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.661 10.412 -7.653 1.00 0.00 N ATOM 2328 CA VAL B 52 -15.222 10.621 -7.370 1.00 0.00 C ATOM 2329 C VAL B 52 -14.577 9.256 -7.196 1.00 0.00 C ATOM 2330 O VAL B 52 -13.468 9.017 -7.631 1.00 0.00 O ATOM 2331 CB VAL B 52 -15.054 11.453 -6.099 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.815 12.771 -6.248 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.611 10.673 -4.908 1.00 0.00 C ATOM 0 H VAL B 52 -17.295 10.617 -6.881 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.747 11.159 -8.191 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.997 11.663 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.695 13.365 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -15.420 13.325 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -16.873 12.564 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.493 11.263 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.669 10.466 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -15.069 9.733 -4.803 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.280 8.348 -6.590 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.729 6.984 -6.420 1.00 0.00 C ATOM 2345 C VAL B 53 -14.603 6.391 -7.820 1.00 0.00 C ATOM 2346 O VAL B 53 -13.805 5.511 -8.074 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.651 6.157 -5.476 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.518 5.148 -6.236 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.805 5.403 -4.445 1.00 0.00 C ATOM 0 H VAL B 53 -16.213 8.493 -6.205 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.748 6.983 -5.945 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.315 6.868 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.141 4.599 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -17.154 5.677 -6.946 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.877 4.449 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.458 4.827 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.121 4.728 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.233 6.117 -3.852 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.370 6.906 -8.741 1.00 0.00 N ATOM 2360 CA ASP B 54 -15.278 6.418 -10.140 1.00 0.00 C ATOM 2361 C ASP B 54 -14.068 7.093 -10.781 1.00 0.00 C ATOM 2362 O ASP B 54 -13.372 6.518 -11.596 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.548 6.794 -10.906 1.00 0.00 C ATOM 2364 CG ASP B 54 -16.563 6.071 -12.254 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -16.868 4.891 -12.267 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -16.270 6.712 -13.251 1.00 0.00 O ATOM 0 H ASP B 54 -16.056 7.644 -8.582 1.00 0.00 H new ATOM 0 HA ASP B 54 -15.172 5.333 -10.163 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -17.430 6.522 -10.326 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.587 7.872 -11.059 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.808 8.317 -10.399 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.636 9.049 -10.962 1.00 0.00 C ATOM 2373 C LYS B 55 -11.353 8.552 -10.285 1.00 0.00 C ATOM 2374 O LYS B 55 -10.404 8.170 -10.940 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.806 10.556 -10.711 1.00 0.00 C ATOM 2376 CG LYS B 55 -11.526 11.328 -11.125 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.681 11.669 -9.886 1.00 0.00 C ATOM 2378 CE LYS B 55 -9.242 11.973 -10.306 1.00 0.00 C ATOM 2379 NZ LYS B 55 -9.233 13.137 -11.236 1.00 0.00 N ATOM 0 H LYS B 55 -14.359 8.842 -9.720 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.571 8.868 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -13.661 10.930 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -13.018 10.733 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.939 10.726 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.799 12.243 -11.650 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -11.108 12.529 -9.369 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.696 10.835 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.634 12.190 -9.428 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.802 11.102 -10.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -8.261 13.494 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.590 12.841 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.841 13.890 -10.856 1.00 0.00 H new ATOM 2393 N VAL B 56 -11.317 8.545 -8.976 1.00 0.00 N ATOM 2394 CA VAL B 56 -10.099 8.063 -8.264 1.00 0.00 C ATOM 2395 C VAL B 56 -9.711 6.715 -8.865 1.00 0.00 C ATOM 2396 O VAL B 56 -8.556 6.444 -9.133 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.394 7.944 -6.751 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -11.080 6.614 -6.425 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -9.086 8.034 -5.961 1.00 0.00 C ATOM 0 H VAL B 56 -12.079 8.852 -8.372 1.00 0.00 H new ATOM 0 HA VAL B 56 -9.271 8.763 -8.382 1.00 0.00 H new ATOM 0 HB VAL B 56 -11.060 8.761 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.275 6.558 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -12.022 6.547 -6.970 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.432 5.789 -6.719 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.298 7.950 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.422 7.225 -6.264 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.606 8.992 -6.161 1.00 0.00 H new ATOM 2409 N MET B 57 -10.682 5.884 -9.108 1.00 0.00 N ATOM 2410 CA MET B 57 -10.391 4.567 -9.726 1.00 0.00 C ATOM 2411 C MET B 57 -9.637 4.809 -11.032 1.00 0.00 C ATOM 2412 O MET B 57 -8.807 4.026 -11.441 1.00 0.00 O ATOM 2413 CB MET B 57 -11.706 3.843 -10.016 1.00 0.00 C ATOM 2414 CG MET B 57 -12.285 3.273 -8.714 1.00 0.00 C ATOM 2415 SD MET B 57 -11.534 1.655 -8.386 1.00 0.00 S ATOM 2416 CE MET B 57 -13.063 0.727 -8.122 1.00 0.00 C ATOM 0 H MET B 57 -11.666 6.061 -8.905 1.00 0.00 H new ATOM 0 HA MET B 57 -9.789 3.955 -9.054 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.418 4.532 -10.470 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.539 3.039 -10.733 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.088 3.953 -7.886 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.368 3.175 -8.795 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.825 -0.262 -7.730 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.693 1.259 -7.408 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.594 0.624 -9.068 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.917 5.902 -11.688 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.211 6.201 -12.963 1.00 0.00 C ATOM 2428 C GLU B 58 -7.722 6.374 -12.680 1.00 0.00 C ATOM 2429 O GLU B 58 -6.881 5.978 -13.461 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.769 7.492 -13.571 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.367 7.581 -15.045 1.00 0.00 C ATOM 2432 CD GLU B 58 -10.187 6.579 -15.859 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -11.404 6.686 -15.843 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -9.587 5.721 -16.486 1.00 0.00 O ATOM 0 H GLU B 58 -10.603 6.598 -11.396 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.360 5.380 -13.665 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.855 7.510 -13.478 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.388 8.356 -13.027 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.534 8.592 -15.418 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.303 7.372 -15.156 1.00 0.00 H new ATOM 2441 N THR B 59 -7.388 6.963 -11.565 1.00 0.00 N ATOM 2442 CA THR B 59 -5.951 7.158 -11.237 1.00 0.00 C ATOM 2443 C THR B 59 -5.382 5.877 -10.636 1.00 0.00 C ATOM 2444 O THR B 59 -4.215 5.578 -10.797 1.00 0.00 O ATOM 2445 CB THR B 59 -5.793 8.298 -10.227 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.372 9.482 -10.757 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.303 8.530 -9.953 1.00 0.00 C ATOM 0 H THR B 59 -8.046 7.316 -10.870 1.00 0.00 H new ATOM 0 HA THR B 59 -5.413 7.407 -12.152 1.00 0.00 H new ATOM 0 HB THR B 59 -6.296 8.036 -9.296 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.273 10.212 -10.111 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.187 9.341 -9.234 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.862 7.620 -9.547 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.799 8.794 -10.883 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.184 5.122 -9.929 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.656 3.863 -9.301 1.00 0.00 C ATOM 2457 C LEU B 60 -5.908 2.652 -10.208 1.00 0.00 C ATOM 2458 O LEU B 60 -5.029 1.835 -10.401 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.340 3.638 -7.941 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.588 4.389 -6.832 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.163 3.807 -6.637 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.506 5.877 -7.196 1.00 0.00 C ATOM 0 H LEU B 60 -7.171 5.316 -9.758 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.581 3.973 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.373 3.982 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.368 2.573 -7.713 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.131 4.270 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.651 4.356 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.234 2.755 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.601 3.901 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.973 6.415 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.974 5.992 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.513 6.283 -7.295 1.00 0.00 H new ATOM 2474 N ASP B 61 -7.078 2.506 -10.764 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.339 1.328 -11.644 1.00 0.00 C ATOM 2476 C ASP B 61 -6.308 1.275 -12.762 1.00 0.00 C ATOM 2477 O ASP B 61 -6.333 2.046 -13.702 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.748 1.446 -12.219 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.211 0.088 -12.747 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.440 -0.854 -12.664 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.328 0.014 -13.228 1.00 0.00 O ATOM 0 H ASP B 61 -7.863 3.147 -10.649 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.261 0.407 -11.066 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.435 1.800 -11.451 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.762 2.182 -13.023 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.402 0.348 -12.649 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.341 0.188 -13.679 1.00 0.00 C ATOM 2488 C GLU B 62 -4.850 -0.771 -14.742 1.00 0.00 C ATOM 2489 O GLU B 62 -4.763 -0.512 -15.926 1.00 0.00 O ATOM 2490 CB GLU B 62 -3.073 -0.373 -13.016 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.095 -0.893 -14.079 1.00 0.00 C ATOM 2492 CD GLU B 62 -0.742 -1.178 -13.428 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -0.736 -1.624 -12.292 1.00 0.00 O ATOM 2494 OE2 GLU B 62 0.267 -0.947 -14.073 1.00 0.00 O ATOM 0 H GLU B 62 -5.351 -0.315 -11.876 1.00 0.00 H new ATOM 0 HA GLU B 62 -4.100 1.147 -14.137 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.593 0.404 -12.421 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -3.339 -1.180 -12.333 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -2.488 -1.800 -14.538 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.980 -0.157 -14.875 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.399 -1.871 -14.326 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.932 -2.834 -15.313 1.00 0.00 C ATOM 2503 C ASP B 63 -7.254 -2.289 -15.841 1.00 0.00 C ATOM 2504 O ASP B 63 -7.885 -2.886 -16.691 1.00 0.00 O ATOM 2505 CB ASP B 63 -6.164 -4.191 -14.641 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.798 -3.980 -13.264 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.324 -2.904 -13.035 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -6.746 -4.899 -12.464 1.00 0.00 O ATOM 0 H ASP B 63 -5.501 -2.143 -13.348 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.224 -2.967 -16.131 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.814 -4.809 -15.261 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.219 -4.724 -14.540 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.693 -1.157 -15.343 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.986 -0.609 -15.836 1.00 0.00 C ATOM 2515 C GLY B 64 -10.050 -1.674 -15.612 1.00 0.00 C ATOM 2516 O GLY B 64 -10.877 -1.936 -16.464 1.00 0.00 O ATOM 0 H GLY B 64 -7.219 -0.602 -14.631 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -9.242 0.307 -15.303 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.916 -0.354 -16.893 1.00 0.00 H new ATOM 2520 N ASP B 65 -10.015 -2.313 -14.471 1.00 0.00 N ATOM 2521 CA ASP B 65 -11.007 -3.394 -14.183 1.00 0.00 C ATOM 2522 C ASP B 65 -12.179 -2.826 -13.391 1.00 0.00 C ATOM 2523 O ASP B 65 -13.132 -3.519 -13.094 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.328 -4.495 -13.365 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.682 -3.883 -12.120 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.982 -2.738 -11.824 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -8.898 -4.570 -11.486 1.00 0.00 O ATOM 0 H ASP B 65 -9.342 -2.133 -13.726 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.376 -3.805 -15.123 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.059 -5.250 -13.075 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.573 -4.998 -13.969 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.119 -1.577 -13.035 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.238 -0.985 -12.250 1.00 0.00 C ATOM 2534 C GLY B 66 -13.203 -1.575 -10.844 1.00 0.00 C ATOM 2535 O GLY B 66 -14.106 -1.390 -10.053 1.00 0.00 O ATOM 0 H GLY B 66 -11.350 -0.942 -13.250 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.140 0.100 -12.209 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.193 -1.201 -12.729 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.149 -2.284 -10.536 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.000 -2.904 -9.187 1.00 0.00 C ATOM 2541 C GLU B 67 -10.632 -2.521 -8.637 1.00 0.00 C ATOM 2542 O GLU B 67 -9.806 -1.976 -9.344 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.083 -4.425 -9.309 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.475 -4.825 -9.797 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.505 -4.540 -8.702 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -14.176 -4.734 -7.543 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.604 -4.135 -9.042 1.00 0.00 O ATOM 0 H GLU B 67 -11.373 -2.462 -11.173 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.792 -2.555 -8.524 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.325 -4.786 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -11.877 -4.889 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -13.728 -4.271 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.490 -5.883 -10.058 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.383 -2.798 -7.385 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.055 -2.447 -6.780 1.00 0.00 C ATOM 2556 C CYS B 68 -8.446 -3.679 -6.106 1.00 0.00 C ATOM 2557 O CYS B 68 -8.642 -3.909 -4.929 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.255 -1.336 -5.743 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.413 0.255 -6.592 1.00 0.00 S ATOM 0 H CYS B 68 -11.040 -3.253 -6.750 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.378 -2.103 -7.562 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -10.147 -1.534 -5.149 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.411 -1.311 -5.053 1.00 0.00 H new ATOM 0 HG CYS B 68 -10.577 0.327 -7.165 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.716 -4.478 -6.847 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.092 -5.697 -6.253 1.00 0.00 C ATOM 2567 C ASP B 69 -6.340 -5.311 -4.979 1.00 0.00 C ATOM 2568 O ASP B 69 -6.382 -4.180 -4.548 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.113 -6.313 -7.255 1.00 0.00 C ATOM 2570 CG ASP B 69 -5.690 -7.700 -6.767 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -6.521 -8.383 -6.192 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -4.541 -8.055 -6.977 1.00 0.00 O ATOM 0 H ASP B 69 -7.527 -4.336 -7.839 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.869 -6.423 -6.014 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.580 -6.388 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.238 -5.672 -7.366 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.647 -6.234 -4.371 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.899 -5.916 -3.119 1.00 0.00 C ATOM 2579 C PHE B 70 -3.629 -5.112 -3.435 1.00 0.00 C ATOM 2580 O PHE B 70 -3.165 -4.325 -2.634 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.512 -7.233 -2.422 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.280 -8.316 -3.461 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.117 -8.313 -4.241 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.238 -9.321 -3.648 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -2.915 -9.309 -5.205 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -5.035 -10.318 -4.609 1.00 0.00 C ATOM 2587 CZ PHE B 70 -3.874 -10.311 -5.388 1.00 0.00 C ATOM 0 H PHE B 70 -5.566 -7.200 -4.688 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.534 -5.316 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.611 -7.089 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.302 -7.538 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.375 -7.542 -4.099 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.136 -9.326 -3.048 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.019 -9.303 -5.807 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.775 -11.092 -4.749 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.718 -11.079 -6.131 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.049 -5.331 -4.577 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.796 -4.619 -4.936 1.00 0.00 C ATOM 2599 C GLN B 71 -2.096 -3.149 -5.224 1.00 0.00 C ATOM 2600 O GLN B 71 -1.343 -2.258 -4.866 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.193 -5.281 -6.183 1.00 0.00 C ATOM 2602 CG GLN B 71 0.085 -4.557 -6.577 1.00 0.00 C ATOM 2603 CD GLN B 71 0.764 -5.311 -7.721 1.00 0.00 C ATOM 2604 OE1 GLN B 71 1.848 -5.835 -7.560 1.00 0.00 O ATOM 2605 NE2 GLN B 71 0.166 -5.391 -8.878 1.00 0.00 N ATOM 0 H GLN B 71 -3.393 -5.980 -5.285 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.090 -4.675 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.981 -6.331 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -1.908 -5.251 -7.005 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.142 -3.536 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.757 -4.490 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.744 -4.951 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.609 -5.894 -9.647 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.200 -2.882 -5.851 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.568 -1.477 -6.164 1.00 0.00 C ATOM 2616 C GLU B 72 -4.381 -0.906 -5.003 1.00 0.00 C ATOM 2617 O GLU B 72 -4.232 0.243 -4.640 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.366 -1.493 -7.485 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.343 -0.308 -7.600 1.00 0.00 C ATOM 2620 CD GLU B 72 -6.100 -0.418 -8.920 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.451 -0.556 -9.944 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -7.319 -0.367 -8.882 1.00 0.00 O ATOM 0 H GLU B 72 -3.872 -3.583 -6.164 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.692 -0.840 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.672 -1.470 -8.325 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -4.923 -2.427 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -6.042 -0.313 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.799 0.635 -7.555 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.233 -1.691 -4.406 1.00 0.00 N ATOM 2630 CA PHE B 73 -6.031 -1.160 -3.267 1.00 0.00 C ATOM 2631 C PHE B 73 -5.074 -0.554 -2.254 1.00 0.00 C ATOM 2632 O PHE B 73 -5.265 0.541 -1.775 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.830 -2.292 -2.611 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.330 -1.891 -1.233 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.831 -0.601 -0.992 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.300 -2.829 -0.193 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.297 -0.260 0.283 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.769 -2.486 1.077 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.267 -1.203 1.315 1.00 0.00 C ATOM 0 H PHE B 73 -5.410 -2.665 -4.653 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.731 -0.404 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.677 -2.556 -3.244 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.204 -3.181 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.857 0.127 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.913 -3.821 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.680 0.732 0.470 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.747 -3.213 1.875 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.629 -0.939 2.297 1.00 0.00 H new ATOM 2649 N MET B 74 -4.023 -1.240 -1.938 1.00 0.00 N ATOM 2650 CA MET B 74 -3.058 -0.661 -0.980 1.00 0.00 C ATOM 2651 C MET B 74 -2.613 0.671 -1.568 1.00 0.00 C ATOM 2652 O MET B 74 -2.541 1.681 -0.897 1.00 0.00 O ATOM 2653 CB MET B 74 -1.865 -1.612 -0.827 1.00 0.00 C ATOM 2654 CG MET B 74 -1.081 -1.322 0.479 1.00 0.00 C ATOM 2655 SD MET B 74 -1.280 -2.696 1.647 1.00 0.00 S ATOM 2656 CE MET B 74 0.147 -2.310 2.691 1.00 0.00 C ATOM 0 H MET B 74 -3.791 -2.166 -2.297 1.00 0.00 H new ATOM 0 HA MET B 74 -3.499 -0.516 0.006 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.217 -2.644 -0.821 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.200 -1.507 -1.684 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.025 -1.177 0.253 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.440 -0.397 0.930 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.262 -3.083 3.451 1.00 0.00 H new ATOM 0 HE2 MET B 74 1.047 -2.269 2.077 1.00 0.00 H new ATOM 0 HE3 MET B 74 -0.007 -1.346 3.175 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.313 0.661 -2.835 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.866 1.920 -3.491 1.00 0.00 C ATOM 2668 C ALA B 75 -2.881 3.038 -3.201 1.00 0.00 C ATOM 2669 O ALA B 75 -2.573 4.208 -3.324 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.736 1.693 -5.000 1.00 0.00 C ATOM 0 H ALA B 75 -2.357 -0.158 -3.442 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.894 2.216 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.409 2.615 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -1.005 0.907 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.702 1.395 -5.408 1.00 0.00 H new ATOM 2676 N PHE B 76 -4.081 2.697 -2.801 1.00 0.00 N ATOM 2677 CA PHE B 76 -5.077 3.773 -2.494 1.00 0.00 C ATOM 2678 C PHE B 76 -4.715 4.414 -1.156 1.00 0.00 C ATOM 2679 O PHE B 76 -4.523 5.609 -1.066 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.506 3.211 -2.422 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.448 4.295 -1.930 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.607 5.474 -2.669 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.151 4.126 -0.726 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.464 6.480 -2.208 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.009 5.132 -0.269 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.165 6.309 -1.010 1.00 0.00 C ATOM 0 H PHE B 76 -4.411 1.740 -2.675 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.046 4.513 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.820 2.859 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.538 2.353 -1.750 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.068 5.607 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.029 3.219 -0.153 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.584 7.389 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.551 5.000 0.656 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.827 7.086 -0.656 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.603 3.634 -0.117 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.238 4.219 1.202 1.00 0.00 C ATOM 2698 C VAL B 77 -2.927 4.996 1.050 1.00 0.00 C ATOM 2699 O VAL B 77 -2.701 5.999 1.697 1.00 0.00 O ATOM 2700 CB VAL B 77 -4.052 3.097 2.228 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.490 3.682 3.522 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.401 2.432 2.515 1.00 0.00 C ATOM 0 H VAL B 77 -4.747 2.624 -0.124 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.029 4.887 1.543 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.360 2.354 1.830 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.357 2.885 4.254 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.528 4.154 3.320 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.183 4.425 3.917 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.265 1.634 3.245 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.095 3.173 2.912 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.804 2.015 1.592 1.00 0.00 H new ATOM 2712 N SER B 78 -2.069 4.532 0.189 1.00 0.00 N ATOM 2713 CA SER B 78 -0.768 5.215 -0.039 1.00 0.00 C ATOM 2714 C SER B 78 -1.025 6.589 -0.644 1.00 0.00 C ATOM 2715 O SER B 78 -0.325 7.547 -0.377 1.00 0.00 O ATOM 2716 CB SER B 78 0.048 4.388 -1.019 1.00 0.00 C ATOM 2717 OG SER B 78 -0.460 4.596 -2.329 1.00 0.00 O ATOM 0 H SER B 78 -2.216 3.695 -0.375 1.00 0.00 H new ATOM 0 HA SER B 78 -0.231 5.322 0.903 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.098 4.675 -0.972 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.006 3.331 -0.757 1.00 0.00 H new ATOM 0 HG SER B 78 -1.439 4.636 -2.298 1.00 0.00 H new ATOM 2723 N MET B 79 -2.041 6.686 -1.445 1.00 0.00 N ATOM 2724 CA MET B 79 -2.387 7.983 -2.075 1.00 0.00 C ATOM 2725 C MET B 79 -2.981 8.882 -1.001 1.00 0.00 C ATOM 2726 O MET B 79 -2.865 10.091 -1.045 1.00 0.00 O ATOM 2727 CB MET B 79 -3.424 7.739 -3.181 1.00 0.00 C ATOM 2728 CG MET B 79 -3.748 9.047 -3.932 1.00 0.00 C ATOM 2729 SD MET B 79 -5.482 9.010 -4.472 1.00 0.00 S ATOM 2730 CE MET B 79 -5.230 9.578 -6.171 1.00 0.00 C ATOM 0 H MET B 79 -2.656 5.911 -1.694 1.00 0.00 H new ATOM 0 HA MET B 79 -1.505 8.452 -2.510 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.045 6.997 -3.883 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.336 7.330 -2.746 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.575 9.906 -3.283 1.00 0.00 H new ATOM 0 HG3 MET B 79 -3.089 9.159 -4.793 1.00 0.00 H new ATOM 0 HE1 MET B 79 -6.190 9.626 -6.685 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.775 10.568 -6.160 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.573 8.883 -6.693 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.592 8.289 -0.020 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.172 9.086 1.084 1.00 0.00 C ATOM 2742 C VAL B 80 -3.055 9.330 2.074 1.00 0.00 C ATOM 2743 O VAL B 80 -2.966 10.371 2.695 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.294 8.310 1.781 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.005 9.227 2.778 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.305 7.804 0.753 1.00 0.00 C ATOM 0 H VAL B 80 -3.714 7.280 0.063 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.591 10.017 0.701 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.861 7.458 2.305 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.803 8.675 3.274 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.290 9.579 3.522 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.428 10.081 2.249 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.097 7.254 1.262 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.736 8.651 0.219 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -5.804 7.145 0.044 1.00 0.00 H new ATOM 2756 N THR B 81 -2.189 8.366 2.221 1.00 0.00 N ATOM 2757 CA THR B 81 -1.062 8.537 3.163 1.00 0.00 C ATOM 2758 C THR B 81 -0.125 9.581 2.588 1.00 0.00 C ATOM 2759 O THR B 81 0.476 10.354 3.307 1.00 0.00 O ATOM 2760 CB THR B 81 -0.308 7.211 3.317 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.235 6.167 3.572 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.700 7.299 4.470 1.00 0.00 C ATOM 0 H THR B 81 -2.217 7.473 1.729 1.00 0.00 H new ATOM 0 HA THR B 81 -1.433 8.848 4.140 1.00 0.00 H new ATOM 0 HB THR B 81 0.234 7.004 2.394 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.105 6.552 3.806 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.227 6.350 4.566 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.418 8.093 4.266 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.172 7.517 5.399 1.00 0.00 H new ATOM 2770 N THR B 82 0.031 9.598 1.291 1.00 0.00 N ATOM 2771 CA THR B 82 0.965 10.582 0.677 1.00 0.00 C ATOM 2772 C THR B 82 0.474 12.016 0.886 1.00 0.00 C ATOM 2773 O THR B 82 1.257 12.900 1.173 1.00 0.00 O ATOM 2774 CB THR B 82 1.072 10.280 -0.816 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.227 10.047 -1.341 1.00 0.00 O ATOM 2776 CG2 THR B 82 1.945 9.032 -1.023 1.00 0.00 C ATOM 0 H THR B 82 -0.444 8.978 0.636 1.00 0.00 H new ATOM 0 HA THR B 82 1.941 10.495 1.154 1.00 0.00 H new ATOM 0 HB THR B 82 1.525 11.127 -1.331 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.899 10.387 -0.714 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.023 8.815 -2.088 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.940 9.212 -0.616 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.492 8.182 -0.512 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.801 12.274 0.758 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.283 13.667 0.969 1.00 0.00 C ATOM 2786 C ALA B 83 -1.156 14.008 2.451 1.00 0.00 C ATOM 2787 O ALA B 83 -0.926 15.142 2.823 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.749 13.771 0.542 1.00 0.00 C ATOM 0 H ALA B 83 -1.519 11.590 0.520 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.689 14.362 0.375 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.102 14.791 0.697 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.840 13.512 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.351 13.085 1.138 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.300 13.029 3.298 1.00 0.00 N ATOM 2795 CA CYS B 84 -1.182 13.283 4.759 1.00 0.00 C ATOM 2796 C CYS B 84 0.282 13.569 5.103 1.00 0.00 C ATOM 2797 O CYS B 84 0.585 14.151 6.125 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.662 12.051 5.529 1.00 0.00 C ATOM 2799 SG CYS B 84 -3.413 11.762 5.170 1.00 0.00 S ATOM 0 H CYS B 84 -1.495 12.061 3.041 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.795 14.141 5.035 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -1.073 11.179 5.246 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -1.518 12.199 6.599 1.00 0.00 H new ATOM 0 HG CYS B 84 -3.526 11.137 4.036 1.00 0.00 H new ATOM 2805 N HIS B 85 1.192 13.165 4.250 1.00 0.00 N ATOM 2806 CA HIS B 85 2.649 13.407 4.508 1.00 0.00 C ATOM 2807 C HIS B 85 3.145 14.537 3.599 1.00 0.00 C ATOM 2808 O HIS B 85 4.047 15.271 3.946 1.00 0.00 O ATOM 2809 CB HIS B 85 3.437 12.123 4.209 1.00 0.00 C ATOM 2810 CG HIS B 85 4.917 12.414 4.196 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.610 12.783 5.339 1.00 0.00 N ATOM 2812 CD2 HIS B 85 5.845 12.404 3.184 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.894 12.979 4.990 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.093 12.761 3.686 1.00 0.00 N ATOM 0 H HIS B 85 0.988 12.674 3.379 1.00 0.00 H new ATOM 0 HA HIS B 85 2.796 13.690 5.550 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.214 11.367 4.961 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.130 11.715 3.246 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.217 12.887 6.275 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.638 12.156 2.153 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.670 13.276 5.680 1.00 0.00 H new ATOM 2822 N GLU B 86 2.570 14.680 2.437 1.00 0.00 N ATOM 2823 CA GLU B 86 3.022 15.759 1.515 1.00 0.00 C ATOM 2824 C GLU B 86 2.498 17.106 2.011 1.00 0.00 C ATOM 2825 O GLU B 86 3.230 18.071 2.111 1.00 0.00 O ATOM 2826 CB GLU B 86 2.487 15.490 0.106 1.00 0.00 C ATOM 2827 CG GLU B 86 2.828 16.671 -0.807 1.00 0.00 C ATOM 2828 CD GLU B 86 2.587 16.278 -2.265 1.00 0.00 C ATOM 2829 OE1 GLU B 86 1.757 15.414 -2.495 1.00 0.00 O ATOM 2830 OE2 GLU B 86 3.238 16.846 -3.126 1.00 0.00 O ATOM 0 H GLU B 86 1.809 14.098 2.087 1.00 0.00 H new ATOM 0 HA GLU B 86 4.112 15.779 1.490 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.923 14.573 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.408 15.342 0.138 1.00 0.00 H new ATOM 0 HG2 GLU B 86 2.215 17.534 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU B 86 3.868 16.964 -0.666 1.00 0.00 H new ATOM 2837 N PHE B 87 1.236 17.180 2.316 1.00 0.00 N ATOM 2838 CA PHE B 87 0.660 18.466 2.801 1.00 0.00 C ATOM 2839 C PHE B 87 1.140 18.743 4.227 1.00 0.00 C ATOM 2840 O PHE B 87 1.272 19.880 4.634 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.867 18.383 2.783 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.445 19.673 3.317 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.495 20.808 2.499 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.930 19.734 4.630 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -2.030 22.004 2.992 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.465 20.931 5.123 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.515 22.065 4.304 1.00 0.00 C ATOM 0 H PHE B 87 0.575 16.406 2.251 1.00 0.00 H new ATOM 0 HA PHE B 87 0.988 19.275 2.148 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.221 18.206 1.767 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -1.204 17.542 3.389 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.121 20.761 1.487 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -1.891 18.859 5.262 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.069 22.879 2.361 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -2.839 20.979 6.135 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.928 22.988 4.684 1.00 0.00 H new ATOM 2857 N PHE B 88 1.402 17.717 4.992 1.00 0.00 N ATOM 2858 CA PHE B 88 1.871 17.939 6.389 1.00 0.00 C ATOM 2859 C PHE B 88 3.358 18.283 6.380 1.00 0.00 C ATOM 2860 O PHE B 88 3.822 19.090 7.160 1.00 0.00 O ATOM 2861 CB PHE B 88 1.640 16.678 7.223 1.00 0.00 C ATOM 2862 CG PHE B 88 1.971 16.967 8.670 1.00 0.00 C ATOM 2863 CD1 PHE B 88 1.110 17.762 9.436 1.00 0.00 C ATOM 2864 CD2 PHE B 88 3.138 16.445 9.244 1.00 0.00 C ATOM 2865 CE1 PHE B 88 1.416 18.035 10.776 1.00 0.00 C ATOM 2866 CE2 PHE B 88 3.442 16.717 10.582 1.00 0.00 C ATOM 2867 CZ PHE B 88 2.581 17.512 11.348 1.00 0.00 C ATOM 0 H PHE B 88 1.312 16.740 4.711 1.00 0.00 H new ATOM 0 HA PHE B 88 1.310 18.764 6.828 1.00 0.00 H new ATOM 0 HB2 PHE B 88 0.603 16.354 7.133 1.00 0.00 H new ATOM 0 HB3 PHE B 88 2.262 15.864 6.852 1.00 0.00 H new ATOM 0 HD1 PHE B 88 0.210 18.165 8.994 1.00 0.00 H new ATOM 0 HD2 PHE B 88 3.803 15.832 8.653 1.00 0.00 H new ATOM 0 HE1 PHE B 88 0.753 18.649 11.367 1.00 0.00 H new ATOM 0 HE2 PHE B 88 4.341 16.314 11.024 1.00 0.00 H new ATOM 0 HZ PHE B 88 2.816 17.722 12.381 1.00 0.00 H new