USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 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 48 HIS :FLIP no HD1:sc= -0.983 F(o=-9.4,f=-8.6) USER MOD Set 1.2: A 70 MET CE :methyl -177:sc= -7.58! (180deg=-7.34!) USER MOD Set 2.1: A 53 THR OG1 : rot 150:sc= 0.0474 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-0.7) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 38 TYR OH : rot 1:sc= 0.056 USER MOD Set 4.2: A 55 HIS : no HE2:sc= -0.764 K(o=-0.71,f=-2.5) USER MOD Single : A 1 MET CE :methyl -143:sc= -0.223 (180deg=-1) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0 (180deg=-0.0393) USER MOD Single : A 2 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.1!) USER MOD Single : A 4 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.38) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00232 USER MOD Single : A 8 ASN : amide:sc= -3.07 K(o=-3.1,f=-14!) USER MOD Single : A 9 ASN : amide:sc= 1.03 K(o=1,f=-0.42) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 21 THR OG1 : rot 80:sc= 0.316 USER MOD Single : A 23 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 29 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.2) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 35 ASN : amide:sc= -1.57 K(o=-1.6,f=-4!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0064 USER MOD Single : A 50 SER OG : rot -140:sc= -3.13! USER MOD Single : A 57 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.6!) USER MOD Single : A 64 SER OG : rot -63:sc= -0.184 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0122) USER MOD Single : A 84 GLN : amide:sc= -0.685 X(o=-0.69,f=-0.26) USER MOD Single : A 86 THR OG1 : rot -41:sc= 0.428 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -4.52! C(o=-9.5!,f=-4.5!) USER MOD Single : A 89 LYS NZ :NH3+ 148:sc= -0.293 (180deg=-2.46) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.064) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.00081) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.277 -10.026 -5.107 1.00 0.00 N ATOM 2 CA MET A 1 5.126 -11.122 -6.101 1.00 0.00 C ATOM 3 C MET A 1 3.673 -11.577 -6.203 1.00 0.00 C ATOM 4 O MET A 1 3.016 -11.362 -7.220 1.00 0.00 O ATOM 5 CB MET A 1 6.017 -12.290 -5.674 1.00 0.00 C ATOM 6 CG MET A 1 7.500 -12.037 -5.893 1.00 0.00 C ATOM 7 SD MET A 1 7.910 -11.761 -7.627 1.00 0.00 S ATOM 8 CE MET A 1 7.973 -9.972 -7.679 1.00 0.00 C ATOM 0 H1 MET A 1 5.688 -9.191 -5.571 1.00 0.00 H new ATOM 0 H2 MET A 1 4.345 -9.781 -4.716 1.00 0.00 H new ATOM 0 H3 MET A 1 5.903 -10.339 -4.338 1.00 0.00 H new ATOM 0 HA MET A 1 5.426 -10.759 -7.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.845 -12.500 -4.618 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.723 -13.181 -6.228 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.807 -11.169 -5.309 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.069 -12.889 -5.521 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.568 -9.621 -8.628 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.382 -9.563 -6.859 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.007 -9.641 -7.581 1.00 0.00 H new ATOM 20 N GLN A 2 3.180 -12.204 -5.141 1.00 0.00 N ATOM 21 CA GLN A 2 1.804 -12.687 -5.109 1.00 0.00 C ATOM 22 C GLN A 2 0.936 -11.788 -4.235 1.00 0.00 C ATOM 23 O GLN A 2 0.697 -12.086 -3.066 1.00 0.00 O ATOM 24 CB GLN A 2 1.757 -14.126 -4.590 1.00 0.00 C ATOM 25 CG GLN A 2 1.776 -15.171 -5.693 1.00 0.00 C ATOM 26 CD GLN A 2 2.963 -16.110 -5.591 1.00 0.00 C ATOM 27 OE1 GLN A 2 3.587 -16.226 -4.535 1.00 0.00 O ATOM 28 NE2 GLN A 2 3.281 -16.784 -6.688 1.00 0.00 N ATOM 0 H GLN A 2 3.712 -12.390 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 2 1.412 -12.665 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.607 -14.293 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.856 -14.258 -3.991 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.854 -15.752 -5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.796 -14.671 -6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.736 -16.657 -7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.070 -17.430 -6.679 1.00 0.00 H new ATOM 37 N LEU A 3 0.462 -10.691 -4.815 1.00 0.00 N ATOM 38 CA LEU A 3 -0.384 -9.750 -4.088 1.00 0.00 C ATOM 39 C LEU A 3 -1.720 -9.559 -4.798 1.00 0.00 C ATOM 40 O LEU A 3 -1.804 -9.656 -6.022 1.00 0.00 O ATOM 41 CB LEU A 3 0.328 -8.405 -3.925 1.00 0.00 C ATOM 42 CG LEU A 3 0.468 -7.579 -5.207 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.329 -6.096 -4.900 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.803 -7.863 -5.878 1.00 0.00 C ATOM 0 H LEU A 3 0.648 -10.431 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.579 -10.164 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.214 -7.813 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.323 -8.586 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.329 -7.865 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.431 -5.523 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.650 -5.906 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.107 -5.795 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.887 -7.268 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.614 -7.603 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.866 -8.922 -6.130 1.00 0.00 H new ATOM 56 N ASN A 4 -2.763 -9.286 -4.021 1.00 0.00 N ATOM 57 CA ASN A 4 -4.096 -9.081 -4.575 1.00 0.00 C ATOM 58 C ASN A 4 -4.852 -8.013 -3.795 1.00 0.00 C ATOM 59 O ASN A 4 -4.466 -7.648 -2.685 1.00 0.00 O ATOM 60 CB ASN A 4 -4.883 -10.393 -4.562 1.00 0.00 C ATOM 61 CG ASN A 4 -4.139 -11.520 -5.250 1.00 0.00 C ATOM 62 OD1 ASN A 4 -4.012 -11.541 -6.474 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.640 -12.468 -4.463 1.00 0.00 N ATOM 0 H ASN A 4 -2.711 -9.202 -3.006 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.986 -8.741 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.094 -10.677 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.844 -10.242 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.129 -13.252 -4.869 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.768 -12.412 -3.453 1.00 0.00 H new ATOM 70 N ILE A 5 -5.932 -7.512 -4.384 1.00 0.00 N ATOM 71 CA ILE A 5 -6.747 -6.483 -3.749 1.00 0.00 C ATOM 72 C ILE A 5 -8.230 -6.810 -3.873 1.00 0.00 C ATOM 73 O ILE A 5 -8.646 -7.509 -4.797 1.00 0.00 O ATOM 74 CB ILE A 5 -6.488 -5.086 -4.354 1.00 0.00 C ATOM 75 CG1 ILE A 5 -6.031 -5.199 -5.812 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.455 -4.333 -3.529 1.00 0.00 C ATOM 77 CD1 ILE A 5 -6.068 -3.886 -6.562 1.00 0.00 C ATOM 0 H ILE A 5 -6.264 -7.803 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.461 -6.465 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.424 -4.527 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.015 -5.593 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.665 -5.920 -6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.284 -3.350 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.820 -4.215 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.520 -4.893 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.731 -4.043 -7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.087 -3.500 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.412 -3.168 -6.071 1.00 0.00 H new ATOM 89 N THR A 6 -9.026 -6.298 -2.940 1.00 0.00 N ATOM 90 CA THR A 6 -10.464 -6.528 -2.948 1.00 0.00 C ATOM 91 C THR A 6 -11.201 -5.262 -2.528 1.00 0.00 C ATOM 92 O THR A 6 -11.012 -4.761 -1.420 1.00 0.00 O ATOM 93 CB THR A 6 -10.824 -7.680 -2.010 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.871 -8.724 -2.108 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.187 -8.277 -2.289 1.00 0.00 C ATOM 0 H THR A 6 -8.697 -5.719 -2.167 1.00 0.00 H new ATOM 0 HA THR A 6 -10.768 -6.794 -3.961 1.00 0.00 H new ATOM 0 HB THR A 6 -10.833 -7.245 -1.011 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.118 -9.451 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.379 -9.089 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.951 -7.509 -2.173 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.213 -8.664 -3.308 1.00 0.00 H new ATOM 103 N GLY A 7 -12.034 -4.742 -3.422 1.00 0.00 N ATOM 104 CA GLY A 7 -12.776 -3.532 -3.122 1.00 0.00 C ATOM 105 C GLY A 7 -14.230 -3.797 -2.786 1.00 0.00 C ATOM 106 O GLY A 7 -14.948 -4.431 -3.558 1.00 0.00 O ATOM 0 H GLY A 7 -12.209 -5.135 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.303 -3.020 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.723 -2.859 -3.977 1.00 0.00 H new ATOM 110 N ASN A 8 -14.662 -3.300 -1.632 1.00 0.00 N ATOM 111 CA ASN A 8 -16.044 -3.474 -1.192 1.00 0.00 C ATOM 112 C ASN A 8 -16.870 -2.239 -1.533 1.00 0.00 C ATOM 113 O ASN A 8 -16.674 -1.170 -0.955 1.00 0.00 O ATOM 114 CB ASN A 8 -16.107 -3.749 0.314 1.00 0.00 C ATOM 115 CG ASN A 8 -15.132 -2.902 1.110 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.504 -1.990 0.575 1.00 0.00 O ATOM 117 ND2 ASN A 8 -15.000 -3.204 2.397 1.00 0.00 N ATOM 0 H ASN A 8 -14.076 -2.773 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.460 -4.334 -1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.120 -3.560 0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.897 -4.803 0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.357 -2.671 2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.541 -3.969 2.799 1.00 0.00 H new ATOM 124 N ASN A 9 -17.789 -2.391 -2.483 1.00 0.00 N ATOM 125 CA ASN A 9 -18.641 -1.285 -2.911 1.00 0.00 C ATOM 126 C ASN A 9 -17.824 -0.247 -3.672 1.00 0.00 C ATOM 127 O ASN A 9 -18.030 0.958 -3.521 1.00 0.00 O ATOM 128 CB ASN A 9 -19.324 -0.629 -1.708 1.00 0.00 C ATOM 129 CG ASN A 9 -20.619 0.062 -2.084 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.708 -0.408 -1.752 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.507 1.187 -2.781 1.00 0.00 N ATOM 0 H ASN A 9 -17.963 -3.270 -2.971 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.409 -1.686 -3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.526 -1.387 -0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.645 0.096 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.344 1.698 -3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.584 1.540 -3.035 1.00 0.00 H new ATOM 138 N VAL A 10 -16.894 -0.725 -4.493 1.00 0.00 N ATOM 139 CA VAL A 10 -16.041 0.157 -5.282 1.00 0.00 C ATOM 140 C VAL A 10 -15.610 -0.516 -6.581 1.00 0.00 C ATOM 141 O VAL A 10 -15.171 -1.665 -6.578 1.00 0.00 O ATOM 142 CB VAL A 10 -14.783 0.577 -4.496 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.103 1.762 -5.165 1.00 0.00 C ATOM 144 CG2 VAL A 10 -15.134 0.903 -3.051 1.00 0.00 C ATOM 0 H VAL A 10 -16.712 -1.719 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.631 1.045 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.086 -0.261 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.218 2.043 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.810 1.489 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.793 2.605 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.232 1.197 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.853 1.722 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.569 0.024 -2.575 1.00 0.00 H new ATOM 154 N GLU A 11 -15.738 0.208 -7.689 1.00 0.00 N ATOM 155 CA GLU A 11 -15.359 -0.322 -8.993 1.00 0.00 C ATOM 156 C GLU A 11 -13.843 -0.315 -9.164 1.00 0.00 C ATOM 157 O GLU A 11 -13.211 0.742 -9.135 1.00 0.00 O ATOM 158 CB GLU A 11 -16.015 0.491 -10.111 1.00 0.00 C ATOM 159 CG GLU A 11 -15.851 1.993 -9.947 1.00 0.00 C ATOM 160 CD GLU A 11 -16.185 2.757 -11.214 1.00 0.00 C ATOM 161 OE1 GLU A 11 -17.386 2.878 -11.536 1.00 0.00 O ATOM 162 OE2 GLU A 11 -15.245 3.233 -11.884 1.00 0.00 O ATOM 0 H GLU A 11 -16.101 1.161 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.708 -1.353 -9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.587 0.189 -11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.078 0.252 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.494 2.339 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.824 2.213 -9.654 1.00 0.00 H new ATOM 169 N ILE A 12 -13.266 -1.499 -9.341 1.00 0.00 N ATOM 170 CA ILE A 12 -11.825 -1.628 -9.515 1.00 0.00 C ATOM 171 C ILE A 12 -11.371 -1.002 -10.830 1.00 0.00 C ATOM 172 O ILE A 12 -11.419 -1.639 -11.883 1.00 0.00 O ATOM 173 CB ILE A 12 -11.385 -3.106 -9.483 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.887 -3.781 -8.203 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.871 -3.216 -9.588 1.00 0.00 C ATOM 176 CD1 ILE A 12 -11.227 -3.261 -6.945 1.00 0.00 C ATOM 0 H ILE A 12 -13.775 -2.383 -9.368 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.358 -1.099 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.824 -3.617 -10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.964 -3.636 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.714 -4.855 -8.277 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.580 -4.266 -9.564 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.538 -2.769 -10.524 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.409 -2.692 -8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.632 -3.784 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.152 -3.430 -7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.421 -2.193 -6.847 1.00 0.00 H new ATOM 188 N THR A 13 -10.925 0.249 -10.761 1.00 0.00 N ATOM 189 CA THR A 13 -10.457 0.960 -11.945 1.00 0.00 C ATOM 190 C THR A 13 -8.941 0.856 -12.072 1.00 0.00 C ATOM 191 O THR A 13 -8.211 1.120 -11.116 1.00 0.00 O ATOM 192 CB THR A 13 -10.878 2.429 -11.883 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.656 2.960 -10.589 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.335 2.648 -12.226 1.00 0.00 C ATOM 0 H THR A 13 -10.878 0.790 -9.898 1.00 0.00 H new ATOM 0 HA THR A 13 -10.911 0.499 -12.822 1.00 0.00 H new ATOM 0 HB THR A 13 -10.266 2.937 -12.628 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.930 3.901 -10.570 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.568 3.711 -12.163 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.528 2.294 -13.239 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.961 2.097 -11.524 1.00 0.00 H new ATOM 202 N GLU A 14 -8.477 0.454 -13.255 1.00 0.00 N ATOM 203 CA GLU A 14 -7.046 0.294 -13.523 1.00 0.00 C ATOM 204 C GLU A 14 -6.207 1.374 -12.843 1.00 0.00 C ATOM 205 O GLU A 14 -5.081 1.117 -12.418 1.00 0.00 O ATOM 206 CB GLU A 14 -6.790 0.314 -15.032 1.00 0.00 C ATOM 207 CG GLU A 14 -5.402 -0.171 -15.420 1.00 0.00 C ATOM 208 CD GLU A 14 -4.910 0.444 -16.714 1.00 0.00 C ATOM 209 OE1 GLU A 14 -5.550 0.212 -17.762 1.00 0.00 O ATOM 210 OE2 GLU A 14 -3.887 1.159 -16.682 1.00 0.00 O ATOM 0 H GLU A 14 -9.076 0.231 -14.050 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.744 -0.668 -13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.535 -0.309 -15.527 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.927 1.330 -15.402 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.701 0.067 -14.620 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.415 -1.256 -15.520 1.00 0.00 H new ATOM 217 N ALA A 15 -6.755 2.581 -12.745 1.00 0.00 N ATOM 218 CA ALA A 15 -6.043 3.689 -12.118 1.00 0.00 C ATOM 219 C ALA A 15 -5.892 3.472 -10.615 1.00 0.00 C ATOM 220 O ALA A 15 -4.806 3.642 -10.061 1.00 0.00 O ATOM 221 CB ALA A 15 -6.765 5.000 -12.392 1.00 0.00 C ATOM 0 H ALA A 15 -7.686 2.816 -13.090 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.044 3.735 -12.552 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.224 5.819 -11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.814 5.171 -13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.775 4.951 -11.986 1.00 0.00 H new ATOM 227 N LEU A 16 -6.986 3.097 -9.961 1.00 0.00 N ATOM 228 CA LEU A 16 -6.972 2.861 -8.521 1.00 0.00 C ATOM 229 C LEU A 16 -5.983 1.758 -8.158 1.00 0.00 C ATOM 230 O LEU A 16 -5.052 1.976 -7.383 1.00 0.00 O ATOM 231 CB LEU A 16 -8.372 2.490 -8.027 1.00 0.00 C ATOM 232 CG LEU A 16 -8.570 2.570 -6.513 1.00 0.00 C ATOM 233 CD1 LEU A 16 -7.809 1.455 -5.814 1.00 0.00 C ATOM 234 CD2 LEU A 16 -8.131 3.929 -5.988 1.00 0.00 C ATOM 0 H LEU A 16 -7.893 2.950 -10.404 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.655 3.783 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.096 3.148 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.598 1.475 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.632 2.446 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.962 1.529 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.172 0.490 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.746 1.546 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.279 3.967 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.076 4.083 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.723 4.711 -6.464 1.00 0.00 H new ATOM 246 N ARG A 17 -6.192 0.571 -8.721 1.00 0.00 N ATOM 247 CA ARG A 17 -5.319 -0.566 -8.453 1.00 0.00 C ATOM 248 C ARG A 17 -3.866 -0.226 -8.780 1.00 0.00 C ATOM 249 O ARG A 17 -2.955 -0.568 -8.026 1.00 0.00 O ATOM 250 CB ARG A 17 -5.766 -1.784 -9.264 1.00 0.00 C ATOM 251 CG ARG A 17 -5.842 -1.526 -10.760 1.00 0.00 C ATOM 252 CD ARG A 17 -6.790 -2.496 -11.446 1.00 0.00 C ATOM 253 NE ARG A 17 -6.280 -2.936 -12.742 1.00 0.00 N ATOM 254 CZ ARG A 17 -7.039 -3.477 -13.693 1.00 0.00 C ATOM 255 NH1 ARG A 17 -8.341 -3.646 -13.497 1.00 0.00 N ATOM 256 NH2 ARG A 17 -6.495 -3.851 -14.842 1.00 0.00 N ATOM 0 H ARG A 17 -6.958 0.372 -9.365 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.388 -0.802 -7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.074 -2.606 -9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.745 -2.106 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.175 -0.503 -10.937 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.848 -1.617 -11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.947 -3.363 -10.805 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.761 -2.019 -11.581 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.284 -2.822 -12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.765 -3.361 -12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.917 -4.061 -14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.495 -3.724 -14.998 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.076 -4.265 -15.571 1.00 0.00 H new ATOM 270 N GLU A 18 -3.661 0.446 -9.906 1.00 0.00 N ATOM 271 CA GLU A 18 -2.320 0.834 -10.331 1.00 0.00 C ATOM 272 C GLU A 18 -1.645 1.706 -9.277 1.00 0.00 C ATOM 273 O GLU A 18 -0.475 1.508 -8.949 1.00 0.00 O ATOM 274 CB GLU A 18 -2.379 1.580 -11.665 1.00 0.00 C ATOM 275 CG GLU A 18 -2.414 0.662 -12.876 1.00 0.00 C ATOM 276 CD GLU A 18 -1.073 0.011 -13.153 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.787 -1.042 -12.546 1.00 0.00 O ATOM 278 OE2 GLU A 18 -0.308 0.555 -13.977 1.00 0.00 O ATOM 0 H GLU A 18 -4.405 0.734 -10.542 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.731 -0.074 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.264 2.217 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.513 2.237 -11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.164 -0.113 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.724 1.233 -13.751 1.00 0.00 H new ATOM 285 N PHE A 19 -2.392 2.672 -8.749 1.00 0.00 N ATOM 286 CA PHE A 19 -1.865 3.576 -7.731 1.00 0.00 C ATOM 287 C PHE A 19 -1.335 2.797 -6.531 1.00 0.00 C ATOM 288 O PHE A 19 -0.253 3.086 -6.021 1.00 0.00 O ATOM 289 CB PHE A 19 -2.950 4.554 -7.278 1.00 0.00 C ATOM 290 CG PHE A 19 -2.466 5.564 -6.275 1.00 0.00 C ATOM 291 CD1 PHE A 19 -1.697 6.644 -6.676 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.779 5.431 -4.932 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.250 7.573 -5.756 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.336 6.356 -4.007 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.570 7.430 -4.419 1.00 0.00 C ATOM 0 H PHE A 19 -3.362 2.849 -9.009 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.040 4.136 -8.171 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.342 5.078 -8.149 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.777 3.992 -6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.444 6.761 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.377 4.593 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.651 8.411 -6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.588 6.240 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.222 8.155 -3.698 1.00 0.00 H new ATOM 305 N VAL A 20 -2.101 1.806 -6.088 1.00 0.00 N ATOM 306 CA VAL A 20 -1.705 0.984 -4.951 1.00 0.00 C ATOM 307 C VAL A 20 -0.440 0.196 -5.267 1.00 0.00 C ATOM 308 O VAL A 20 0.570 0.317 -4.572 1.00 0.00 O ATOM 309 CB VAL A 20 -2.823 0.004 -4.549 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.465 -0.711 -3.254 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.150 0.735 -4.414 1.00 0.00 C ATOM 0 H VAL A 20 -2.999 1.553 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.513 1.660 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.926 -0.745 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.266 -1.399 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.538 -1.268 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.334 0.022 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.928 0.027 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.064 1.507 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.410 1.196 -5.367 1.00 0.00 H new ATOM 321 N THR A 21 -0.500 -0.609 -6.322 1.00 0.00 N ATOM 322 CA THR A 21 0.644 -1.415 -6.735 1.00 0.00 C ATOM 323 C THR A 21 1.835 -0.528 -7.076 1.00 0.00 C ATOM 324 O THR A 21 2.987 -0.934 -6.924 1.00 0.00 O ATOM 325 CB THR A 21 0.275 -2.281 -7.940 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.020 -2.834 -7.784 1.00 0.00 O ATOM 327 CG2 THR A 21 1.238 -3.426 -8.170 1.00 0.00 C ATOM 0 H THR A 21 -1.328 -0.721 -6.907 1.00 0.00 H new ATOM 0 HA THR A 21 0.922 -2.063 -5.904 1.00 0.00 H new ATOM 0 HB THR A 21 0.317 -1.612 -8.800 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.693 -2.159 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.919 -4.001 -9.039 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.239 -3.030 -8.344 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.251 -4.072 -7.293 1.00 0.00 H new ATOM 335 N ALA A 22 1.552 0.687 -7.538 1.00 0.00 N ATOM 336 CA ALA A 22 2.601 1.633 -7.899 1.00 0.00 C ATOM 337 C ALA A 22 3.519 1.910 -6.714 1.00 0.00 C ATOM 338 O ALA A 22 4.743 1.910 -6.852 1.00 0.00 O ATOM 339 CB ALA A 22 1.990 2.929 -8.411 1.00 0.00 C ATOM 0 H ALA A 22 0.604 1.039 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 22 3.200 1.189 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.785 3.626 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.380 2.721 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.366 3.369 -7.633 1.00 0.00 H new ATOM 345 N LYS A 23 2.923 2.141 -5.549 1.00 0.00 N ATOM 346 CA LYS A 23 3.691 2.415 -4.342 1.00 0.00 C ATOM 347 C LYS A 23 4.470 1.178 -3.910 1.00 0.00 C ATOM 348 O LYS A 23 5.670 1.248 -3.646 1.00 0.00 O ATOM 349 CB LYS A 23 2.771 2.865 -3.207 1.00 0.00 C ATOM 350 CG LYS A 23 1.958 4.107 -3.533 1.00 0.00 C ATOM 351 CD LYS A 23 2.850 5.325 -3.722 1.00 0.00 C ATOM 352 CE LYS A 23 2.479 6.101 -4.977 1.00 0.00 C ATOM 353 NZ LYS A 23 3.679 6.650 -5.666 1.00 0.00 N ATOM 0 H LYS A 23 1.912 2.144 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 23 4.394 3.217 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.090 2.051 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.373 3.059 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.378 3.936 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.246 4.298 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.766 5.977 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.891 5.008 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.935 5.448 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.807 6.917 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.383 7.172 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.184 7.293 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.309 5.869 -5.941 1.00 0.00 H new ATOM 367 N PHE A 24 3.777 0.043 -3.845 1.00 0.00 N ATOM 368 CA PHE A 24 4.402 -1.214 -3.446 1.00 0.00 C ATOM 369 C PHE A 24 5.685 -1.455 -4.234 1.00 0.00 C ATOM 370 O PHE A 24 6.722 -1.792 -3.662 1.00 0.00 O ATOM 371 CB PHE A 24 3.432 -2.379 -3.652 1.00 0.00 C ATOM 372 CG PHE A 24 2.681 -2.760 -2.407 1.00 0.00 C ATOM 373 CD1 PHE A 24 1.477 -2.150 -2.096 1.00 0.00 C ATOM 374 CD2 PHE A 24 3.179 -3.726 -1.550 1.00 0.00 C ATOM 375 CE1 PHE A 24 0.783 -2.497 -0.951 1.00 0.00 C ATOM 376 CE2 PHE A 24 2.491 -4.078 -0.405 1.00 0.00 C ATOM 377 CZ PHE A 24 1.292 -3.463 -0.105 1.00 0.00 C ATOM 0 H PHE A 24 2.783 -0.031 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 24 4.655 -1.147 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.717 -2.113 -4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.988 -3.245 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.075 -1.395 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.117 -4.210 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.155 -2.014 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.891 -4.834 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.753 -3.737 0.790 1.00 0.00 H new ATOM 387 N ALA A 25 5.610 -1.278 -5.551 1.00 0.00 N ATOM 388 CA ALA A 25 6.768 -1.473 -6.417 1.00 0.00 C ATOM 389 C ALA A 25 7.973 -0.687 -5.907 1.00 0.00 C ATOM 390 O ALA A 25 9.045 -1.249 -5.690 1.00 0.00 O ATOM 391 CB ALA A 25 6.433 -1.062 -7.844 1.00 0.00 C ATOM 0 H ALA A 25 4.760 -1.000 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 25 7.027 -2.532 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.305 -1.212 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.606 -1.669 -8.213 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.148 -0.010 -7.862 1.00 0.00 H new ATOM 397 N LYS A 26 7.784 0.615 -5.713 1.00 0.00 N ATOM 398 CA LYS A 26 8.854 1.478 -5.221 1.00 0.00 C ATOM 399 C LYS A 26 9.399 0.963 -3.891 1.00 0.00 C ATOM 400 O LYS A 26 10.560 1.193 -3.554 1.00 0.00 O ATOM 401 CB LYS A 26 8.346 2.913 -5.059 1.00 0.00 C ATOM 402 CG LYS A 26 9.279 3.958 -5.647 1.00 0.00 C ATOM 403 CD LYS A 26 10.545 4.105 -4.817 1.00 0.00 C ATOM 404 CE LYS A 26 10.263 4.782 -3.485 1.00 0.00 C ATOM 405 NZ LYS A 26 11.237 5.871 -3.198 1.00 0.00 N ATOM 0 H LYS A 26 6.901 1.095 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 26 9.662 1.468 -5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.370 3.000 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.203 3.121 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.542 3.679 -6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.765 4.917 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.982 3.122 -4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.280 4.686 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.253 5.191 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.301 4.041 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.010 6.307 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.199 5.477 -3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.183 6.591 -3.947 1.00 0.00 H new ATOM 419 N LEU A 27 8.553 0.258 -3.145 1.00 0.00 N ATOM 420 CA LEU A 27 8.950 -0.298 -1.858 1.00 0.00 C ATOM 421 C LEU A 27 9.681 -1.625 -2.047 1.00 0.00 C ATOM 422 O LEU A 27 10.484 -2.030 -1.205 1.00 0.00 O ATOM 423 CB LEU A 27 7.723 -0.501 -0.965 1.00 0.00 C ATOM 424 CG LEU A 27 7.290 0.727 -0.163 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.797 1.828 -1.089 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.211 0.352 0.842 1.00 0.00 C ATOM 0 H LEU A 27 7.589 0.059 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 27 9.627 0.407 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.888 -0.820 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.930 -1.314 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 27 8.156 1.103 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.494 2.692 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.598 2.117 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.945 1.465 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.914 1.237 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.346 -0.050 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.599 -0.401 1.528 1.00 0.00 H new ATOM 438 N GLU A 28 9.399 -2.290 -3.162 1.00 0.00 N ATOM 439 CA GLU A 28 10.023 -3.571 -3.480 1.00 0.00 C ATOM 440 C GLU A 28 11.536 -3.432 -3.651 1.00 0.00 C ATOM 441 O GLU A 28 12.256 -4.429 -3.673 1.00 0.00 O ATOM 442 CB GLU A 28 9.410 -4.154 -4.755 1.00 0.00 C ATOM 443 CG GLU A 28 9.523 -5.666 -4.848 1.00 0.00 C ATOM 444 CD GLU A 28 8.974 -6.214 -6.151 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.185 -5.570 -7.201 1.00 0.00 O ATOM 446 OE2 GLU A 28 8.333 -7.285 -6.121 1.00 0.00 O ATOM 0 H GLU A 28 8.738 -1.961 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 28 9.837 -4.246 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.358 -3.873 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.900 -3.708 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.569 -5.955 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.987 -6.118 -4.014 1.00 0.00 H new ATOM 453 N GLN A 29 12.013 -2.195 -3.772 1.00 0.00 N ATOM 454 CA GLN A 29 13.439 -1.944 -3.939 1.00 0.00 C ATOM 455 C GLN A 29 14.199 -2.209 -2.641 1.00 0.00 C ATOM 456 O GLN A 29 15.233 -2.876 -2.643 1.00 0.00 O ATOM 457 CB GLN A 29 13.673 -0.504 -4.397 1.00 0.00 C ATOM 458 CG GLN A 29 15.066 -0.258 -4.952 1.00 0.00 C ATOM 459 CD GLN A 29 15.250 -0.835 -6.341 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.409 -1.592 -6.828 1.00 0.00 O ATOM 461 NE2 GLN A 29 16.354 -0.482 -6.988 1.00 0.00 N ATOM 0 H GLN A 29 11.434 -1.355 -3.757 1.00 0.00 H new ATOM 0 HA GLN A 29 13.815 -2.627 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.937 -0.251 -5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.503 0.168 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.258 0.815 -4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.804 -0.696 -4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.024 0.148 -6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.532 -0.840 -7.926 1.00 0.00 H new ATOM 470 N TYR A 30 13.683 -1.677 -1.536 1.00 0.00 N ATOM 471 CA TYR A 30 14.326 -1.858 -0.237 1.00 0.00 C ATOM 472 C TYR A 30 13.613 -2.917 0.608 1.00 0.00 C ATOM 473 O TYR A 30 13.999 -3.166 1.749 1.00 0.00 O ATOM 474 CB TYR A 30 14.384 -0.530 0.528 1.00 0.00 C ATOM 475 CG TYR A 30 13.137 0.317 0.399 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.916 -0.133 0.883 1.00 0.00 C ATOM 477 CD2 TYR A 30 13.185 1.571 -0.198 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.777 0.643 0.775 1.00 0.00 C ATOM 479 CE2 TYR A 30 12.050 2.352 -0.310 1.00 0.00 C ATOM 480 CZ TYR A 30 10.849 1.884 0.178 1.00 0.00 C ATOM 481 OH TYR A 30 9.717 2.659 0.070 1.00 0.00 O ATOM 0 H TYR A 30 12.828 -1.121 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 30 15.341 -2.207 -0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.560 -0.739 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.238 0.045 0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.855 -1.104 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.125 1.941 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.835 0.279 1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.104 3.324 -0.778 1.00 0.00 H new ATOM 0 HH TYR A 30 9.940 3.504 -0.374 1.00 0.00 H new ATOM 491 N PHE A 31 12.581 -3.545 0.046 1.00 0.00 N ATOM 492 CA PHE A 31 11.840 -4.578 0.765 1.00 0.00 C ATOM 493 C PHE A 31 11.894 -5.906 0.017 1.00 0.00 C ATOM 494 O PHE A 31 11.424 -6.012 -1.117 1.00 0.00 O ATOM 495 CB PHE A 31 10.379 -4.158 0.966 1.00 0.00 C ATOM 496 CG PHE A 31 10.182 -3.063 1.982 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.144 -2.796 2.949 1.00 0.00 C ATOM 498 CD2 PHE A 31 9.024 -2.301 1.970 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.951 -1.791 3.876 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.828 -1.295 2.898 1.00 0.00 C ATOM 501 CZ PHE A 31 9.793 -1.039 3.851 1.00 0.00 C ATOM 0 H PHE A 31 12.242 -3.358 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 31 12.310 -4.704 1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.974 -3.827 0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.802 -5.030 1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.052 -3.381 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.265 -2.496 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.707 -1.593 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.920 -0.710 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.643 -0.252 4.576 1.00 0.00 H new ATOM 511 N ASP A 32 12.464 -6.917 0.663 1.00 0.00 N ATOM 512 CA ASP A 32 12.576 -8.242 0.066 1.00 0.00 C ATOM 513 C ASP A 32 11.626 -9.226 0.742 1.00 0.00 C ATOM 514 O ASP A 32 11.185 -10.198 0.129 1.00 0.00 O ATOM 515 CB ASP A 32 14.016 -8.752 0.169 1.00 0.00 C ATOM 516 CG ASP A 32 14.842 -8.403 -1.054 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.538 -7.381 -1.704 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.791 -9.154 -1.361 1.00 0.00 O ATOM 0 H ASP A 32 12.856 -6.844 1.602 1.00 0.00 H new ATOM 0 HA ASP A 32 12.301 -8.163 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.487 -8.327 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.007 -9.834 0.301 1.00 0.00 H new ATOM 523 N ARG A 33 11.318 -8.969 2.011 1.00 0.00 N ATOM 524 CA ARG A 33 10.423 -9.833 2.771 1.00 0.00 C ATOM 525 C ARG A 33 8.967 -9.584 2.389 1.00 0.00 C ATOM 526 O ARG A 33 8.194 -9.029 3.171 1.00 0.00 O ATOM 527 CB ARG A 33 10.616 -9.607 4.274 1.00 0.00 C ATOM 528 CG ARG A 33 12.073 -9.462 4.686 1.00 0.00 C ATOM 529 CD ARG A 33 12.413 -10.345 5.878 1.00 0.00 C ATOM 530 NE ARG A 33 12.671 -9.563 7.084 1.00 0.00 N ATOM 531 CZ ARG A 33 11.713 -9.065 7.864 1.00 0.00 C ATOM 532 NH1 ARG A 33 10.435 -9.259 7.566 1.00 0.00 N ATOM 533 NH2 ARG A 33 12.036 -8.367 8.945 1.00 0.00 N ATOM 0 H ARG A 33 11.676 -8.169 2.533 1.00 0.00 H new ATOM 0 HA ARG A 33 10.669 -10.868 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.072 -8.710 4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.175 -10.442 4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.716 -9.722 3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.279 -8.421 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.591 -11.036 6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.290 -10.949 5.643 1.00 0.00 H new ATOM 0 HE ARG A 33 13.642 -9.388 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.180 -9.793 6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.707 -8.875 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.017 -8.212 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.303 -7.985 9.543 1.00 0.00 H new ATOM 547 N ILE A 34 8.599 -9.998 1.182 1.00 0.00 N ATOM 548 CA ILE A 34 7.236 -9.826 0.694 1.00 0.00 C ATOM 549 C ILE A 34 6.787 -11.040 -0.110 1.00 0.00 C ATOM 550 O ILE A 34 7.430 -11.420 -1.088 1.00 0.00 O ATOM 551 CB ILE A 34 7.109 -8.566 -0.185 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.743 -7.363 0.516 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.648 -8.290 -0.507 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.869 -6.144 -0.373 1.00 0.00 C ATOM 0 H ILE A 34 9.227 -10.456 0.522 1.00 0.00 H new ATOM 0 HA ILE A 34 6.596 -9.714 1.569 1.00 0.00 H new ATOM 0 HB ILE A 34 7.640 -8.738 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.145 -7.105 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.732 -7.643 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.575 -7.397 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.227 -9.141 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.095 -8.134 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.326 -5.330 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.492 -6.385 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.880 -5.839 -0.714 1.00 0.00 H new ATOM 566 N ASN A 35 5.684 -11.651 0.310 1.00 0.00 N ATOM 567 CA ASN A 35 5.158 -12.828 -0.374 1.00 0.00 C ATOM 568 C ASN A 35 3.678 -12.664 -0.710 1.00 0.00 C ATOM 569 O ASN A 35 3.288 -12.739 -1.875 1.00 0.00 O ATOM 570 CB ASN A 35 5.362 -14.081 0.484 1.00 0.00 C ATOM 571 CG ASN A 35 5.084 -13.834 1.956 1.00 0.00 C ATOM 572 OD1 ASN A 35 5.652 -12.928 2.564 1.00 0.00 O ATOM 573 ND2 ASN A 35 4.208 -14.646 2.535 1.00 0.00 N ATOM 0 H ASN A 35 5.138 -11.352 1.118 1.00 0.00 H new ATOM 0 HA ASN A 35 5.708 -12.939 -1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.708 -14.874 0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.386 -14.434 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.982 -14.532 3.523 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.761 -15.384 1.992 1.00 0.00 H new ATOM 580 N GLN A 36 2.856 -12.448 0.313 1.00 0.00 N ATOM 581 CA GLN A 36 1.421 -12.284 0.110 1.00 0.00 C ATOM 582 C GLN A 36 0.899 -11.027 0.799 1.00 0.00 C ATOM 583 O GLN A 36 0.951 -10.912 2.024 1.00 0.00 O ATOM 584 CB GLN A 36 0.669 -13.508 0.635 1.00 0.00 C ATOM 585 CG GLN A 36 -0.824 -13.472 0.353 1.00 0.00 C ATOM 586 CD GLN A 36 -1.252 -14.521 -0.655 1.00 0.00 C ATOM 587 OE1 GLN A 36 -0.921 -14.433 -1.838 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.995 -15.520 -0.192 1.00 0.00 N ATOM 0 H GLN A 36 3.157 -12.383 1.285 1.00 0.00 H new ATOM 0 HA GLN A 36 1.249 -12.182 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.094 -14.405 0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.825 -13.586 1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.370 -13.624 1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.096 -12.484 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.246 -15.554 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.315 -16.254 -0.825 1.00 0.00 H new ATOM 597 N VAL A 37 0.389 -10.093 0.004 1.00 0.00 N ATOM 598 CA VAL A 37 -0.154 -8.847 0.533 1.00 0.00 C ATOM 599 C VAL A 37 -1.564 -8.612 0.006 1.00 0.00 C ATOM 600 O VAL A 37 -1.825 -8.778 -1.186 1.00 0.00 O ATOM 601 CB VAL A 37 0.725 -7.636 0.157 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.405 -6.448 1.050 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.201 -7.992 0.240 1.00 0.00 C ATOM 0 H VAL A 37 0.340 -10.175 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.173 -8.944 1.619 1.00 0.00 H new ATOM 0 HB VAL A 37 0.503 -7.360 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.034 -5.603 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.643 -6.175 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.594 -6.713 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.801 -7.123 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.444 -8.300 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.417 -8.809 -0.448 1.00 0.00 H new ATOM 613 N TYR A 38 -2.474 -8.224 0.895 1.00 0.00 N ATOM 614 CA TYR A 38 -3.855 -7.966 0.505 1.00 0.00 C ATOM 615 C TYR A 38 -4.332 -6.619 1.034 1.00 0.00 C ATOM 616 O TYR A 38 -4.071 -6.261 2.183 1.00 0.00 O ATOM 617 CB TYR A 38 -4.780 -9.088 0.994 1.00 0.00 C ATOM 618 CG TYR A 38 -4.377 -9.688 2.324 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.241 -10.480 2.432 1.00 0.00 C ATOM 620 CD2 TYR A 38 -5.136 -9.468 3.466 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.872 -11.036 3.641 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.772 -10.021 4.680 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.640 -10.804 4.762 1.00 0.00 C ATOM 624 OH TYR A 38 -3.275 -11.356 5.968 1.00 0.00 O ATOM 0 H TYR A 38 -2.280 -8.082 1.886 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.891 -7.938 -0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.794 -8.698 1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.803 -9.878 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.636 -10.664 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.024 -8.856 3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.986 -11.650 3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.372 -9.840 5.560 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.446 -11.867 5.856 1.00 0.00 H new ATOM 634 N VAL A 39 -5.028 -5.874 0.181 1.00 0.00 N ATOM 635 CA VAL A 39 -5.542 -4.561 0.552 1.00 0.00 C ATOM 636 C VAL A 39 -7.024 -4.436 0.212 1.00 0.00 C ATOM 637 O VAL A 39 -7.485 -4.958 -0.802 1.00 0.00 O ATOM 638 CB VAL A 39 -4.767 -3.436 -0.163 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.127 -2.079 0.419 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.266 -3.680 -0.071 1.00 0.00 C ATOM 0 H VAL A 39 -5.249 -6.158 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.409 -4.459 1.629 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.052 -3.440 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.568 -1.300 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.196 -1.902 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.876 -2.060 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.735 -2.876 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.965 -3.706 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.023 -4.632 -0.542 1.00 0.00 H new ATOM 650 N VAL A 40 -7.764 -3.734 1.064 1.00 0.00 N ATOM 651 CA VAL A 40 -9.193 -3.534 0.851 1.00 0.00 C ATOM 652 C VAL A 40 -9.608 -2.130 1.256 1.00 0.00 C ATOM 653 O VAL A 40 -9.197 -1.624 2.299 1.00 0.00 O ATOM 654 CB VAL A 40 -10.033 -4.557 1.638 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.504 -4.448 1.260 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.516 -5.967 1.400 1.00 0.00 C ATOM 0 H VAL A 40 -7.398 -3.294 1.908 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.379 -3.676 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.939 -4.335 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.080 -5.179 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.865 -3.445 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.621 -4.642 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.121 -6.677 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.577 -6.202 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.479 -6.034 1.728 1.00 0.00 H new ATOM 666 N LEU A 41 -10.408 -1.502 0.408 1.00 0.00 N ATOM 667 CA LEU A 41 -10.868 -0.144 0.650 1.00 0.00 C ATOM 668 C LEU A 41 -12.379 -0.017 0.464 1.00 0.00 C ATOM 669 O LEU A 41 -12.930 -0.438 -0.552 1.00 0.00 O ATOM 670 CB LEU A 41 -10.129 0.828 -0.274 1.00 0.00 C ATOM 671 CG LEU A 41 -9.753 0.275 -1.655 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.727 -0.842 -1.534 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.989 -0.204 -2.401 1.00 0.00 C ATOM 0 H LEU A 41 -10.754 -1.914 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.647 0.107 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.751 1.712 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.218 1.155 0.227 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.303 1.084 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.478 -1.216 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.827 -0.459 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.141 -1.653 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.697 -0.592 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.477 -0.993 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.680 0.629 -2.533 1.00 0.00 H new ATOM 685 N LYS A 42 -13.037 0.573 1.455 1.00 0.00 N ATOM 686 CA LYS A 42 -14.480 0.770 1.411 1.00 0.00 C ATOM 687 C LYS A 42 -14.806 2.238 1.161 1.00 0.00 C ATOM 688 O LYS A 42 -14.164 3.132 1.716 1.00 0.00 O ATOM 689 CB LYS A 42 -15.124 0.297 2.717 1.00 0.00 C ATOM 690 CG LYS A 42 -16.620 0.561 2.791 1.00 0.00 C ATOM 691 CD LYS A 42 -17.183 0.199 4.156 1.00 0.00 C ATOM 692 CE LYS A 42 -16.755 1.196 5.220 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.577 0.550 6.549 1.00 0.00 N ATOM 0 H LYS A 42 -12.591 0.925 2.302 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.886 0.178 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.946 -0.772 2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.634 0.794 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.816 1.613 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.131 -0.017 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.271 0.166 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.847 -0.799 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.820 1.669 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.502 1.986 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.285 1.265 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.475 0.120 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.846 -0.187 6.482 1.00 0.00 H new ATOM 707 N VAL A 43 -15.811 2.476 0.321 1.00 0.00 N ATOM 708 CA VAL A 43 -16.228 3.833 -0.008 1.00 0.00 C ATOM 709 C VAL A 43 -17.663 4.091 0.436 1.00 0.00 C ATOM 710 O VAL A 43 -18.597 3.432 -0.024 1.00 0.00 O ATOM 711 CB VAL A 43 -16.111 4.101 -1.522 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.500 5.535 -1.848 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.699 3.804 -2.006 1.00 0.00 C ATOM 0 H VAL A 43 -16.350 1.745 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.561 4.510 0.527 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.801 3.437 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.410 5.701 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.530 5.712 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.839 6.221 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.633 3.998 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.991 4.442 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.460 2.758 -1.811 1.00 0.00 H new ATOM 723 N GLU A 44 -17.829 5.057 1.331 1.00 0.00 N ATOM 724 CA GLU A 44 -19.146 5.412 1.841 1.00 0.00 C ATOM 725 C GLU A 44 -19.302 6.927 1.908 1.00 0.00 C ATOM 726 O GLU A 44 -18.320 7.657 2.049 1.00 0.00 O ATOM 727 CB GLU A 44 -19.367 4.800 3.226 1.00 0.00 C ATOM 728 CG GLU A 44 -18.144 4.868 4.125 1.00 0.00 C ATOM 729 CD GLU A 44 -18.499 4.811 5.598 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.539 5.385 5.980 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.735 4.191 6.367 1.00 0.00 O ATOM 0 H GLU A 44 -17.065 5.610 1.719 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.896 5.013 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.195 5.315 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.664 3.758 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.474 4.042 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.599 5.790 3.922 1.00 0.00 H new ATOM 738 N LYS A 45 -20.543 7.395 1.801 1.00 0.00 N ATOM 739 CA LYS A 45 -20.833 8.827 1.844 1.00 0.00 C ATOM 740 C LYS A 45 -20.084 9.516 2.983 1.00 0.00 C ATOM 741 O LYS A 45 -19.780 10.707 2.906 1.00 0.00 O ATOM 742 CB LYS A 45 -22.337 9.055 2.000 1.00 0.00 C ATOM 743 CG LYS A 45 -22.750 10.512 1.860 1.00 0.00 C ATOM 744 CD LYS A 45 -23.943 10.842 2.744 1.00 0.00 C ATOM 745 CE LYS A 45 -25.116 11.363 1.928 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.914 12.370 2.680 1.00 0.00 N ATOM 0 H LYS A 45 -21.365 6.803 1.684 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.494 9.263 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.865 8.463 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.652 8.689 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.911 11.156 2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.998 10.722 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.248 9.951 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.653 11.588 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.746 11.809 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.759 10.530 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.703 12.699 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.289 11.938 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.308 13.177 2.929 1.00 0.00 H new ATOM 760 N VAL A 46 -19.791 8.764 4.041 1.00 0.00 N ATOM 761 CA VAL A 46 -19.081 9.310 5.191 1.00 0.00 C ATOM 762 C VAL A 46 -17.559 9.171 5.013 1.00 0.00 C ATOM 763 O VAL A 46 -17.019 9.584 3.986 1.00 0.00 O ATOM 764 CB VAL A 46 -19.543 8.633 6.503 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.178 9.490 7.706 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.044 8.371 6.471 1.00 0.00 C ATOM 0 H VAL A 46 -20.034 7.777 4.124 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.320 10.371 5.257 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.028 7.677 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.511 8.997 8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.097 9.626 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.664 10.462 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.350 7.894 7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.576 9.315 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.281 7.716 5.633 1.00 0.00 H new ATOM 776 N THR A 47 -16.864 8.602 6.001 1.00 0.00 N ATOM 777 CA THR A 47 -15.416 8.436 5.923 1.00 0.00 C ATOM 778 C THR A 47 -15.042 7.177 5.144 1.00 0.00 C ATOM 779 O THR A 47 -15.816 6.224 5.074 1.00 0.00 O ATOM 780 CB THR A 47 -14.813 8.375 7.327 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.634 9.060 8.256 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.427 8.978 7.409 1.00 0.00 C ATOM 0 H THR A 47 -17.283 8.250 6.862 1.00 0.00 H new ATOM 0 HA THR A 47 -15.011 9.298 5.393 1.00 0.00 H new ATOM 0 HB THR A 47 -14.746 7.314 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.232 9.008 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.057 8.902 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.756 8.440 6.740 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.468 10.027 7.115 1.00 0.00 H new ATOM 790 N HIS A 48 -13.839 7.179 4.575 1.00 0.00 N ATOM 791 CA HIS A 48 -13.350 6.035 3.814 1.00 0.00 C ATOM 792 C HIS A 48 -12.508 5.127 4.705 1.00 0.00 C ATOM 793 O HIS A 48 -11.885 5.590 5.661 1.00 0.00 O ATOM 794 CB HIS A 48 -12.524 6.503 2.614 1.00 0.00 C ATOM 795 CG HIS A 48 -13.297 7.347 1.648 1.00 0.00 C ATOM 796 ND1 HIS A 48 -14.215 8.321 1.859 1.00 0.00 N flip ATOM 797 CD2 HIS A 48 -13.169 7.234 0.280 1.00 0.00 C flip ATOM 798 CE1 HIS A 48 -14.619 8.773 0.627 1.00 0.00 C flip ATOM 799 NE2 HIS A 48 -13.973 8.102 -0.308 1.00 0.00 N flip ATOM 0 H HIS A 48 -13.186 7.961 4.627 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.209 5.473 3.449 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.665 7.070 2.973 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.133 5.631 2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.514 6.544 -0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.347 9.551 0.452 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -14.077 8.232 -1.314 1.00 0.00 H new ATOM 808 N THR A 49 -12.498 3.834 4.398 1.00 0.00 N ATOM 809 CA THR A 49 -11.735 2.877 5.194 1.00 0.00 C ATOM 810 C THR A 49 -10.932 1.927 4.312 1.00 0.00 C ATOM 811 O THR A 49 -11.492 1.182 3.512 1.00 0.00 O ATOM 812 CB THR A 49 -12.671 2.077 6.099 1.00 0.00 C ATOM 813 OG1 THR A 49 -13.670 2.914 6.655 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.956 1.392 7.245 1.00 0.00 C ATOM 0 H THR A 49 -13.004 3.427 3.612 1.00 0.00 H new ATOM 0 HA THR A 49 -11.033 3.443 5.807 1.00 0.00 H new ATOM 0 HB THR A 49 -13.109 1.313 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.260 2.382 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.679 0.842 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.213 0.700 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.461 2.140 7.864 1.00 0.00 H new ATOM 822 N SER A 50 -9.612 1.947 4.479 1.00 0.00 N ATOM 823 CA SER A 50 -8.731 1.079 3.709 1.00 0.00 C ATOM 824 C SER A 50 -7.787 0.317 4.634 1.00 0.00 C ATOM 825 O SER A 50 -7.312 0.858 5.631 1.00 0.00 O ATOM 826 CB SER A 50 -7.928 1.895 2.695 1.00 0.00 C ATOM 827 OG SER A 50 -8.635 3.057 2.301 1.00 0.00 O ATOM 0 H SER A 50 -9.131 2.556 5.141 1.00 0.00 H new ATOM 0 HA SER A 50 -9.347 0.359 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.969 2.179 3.129 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.712 1.282 1.820 1.00 0.00 H new ATOM 0 HG SER A 50 -8.514 3.203 1.340 1.00 0.00 H new ATOM 833 N ASP A 51 -7.525 -0.945 4.303 1.00 0.00 N ATOM 834 CA ASP A 51 -6.644 -1.778 5.116 1.00 0.00 C ATOM 835 C ASP A 51 -5.505 -2.355 4.279 1.00 0.00 C ATOM 836 O ASP A 51 -5.648 -2.559 3.073 1.00 0.00 O ATOM 837 CB ASP A 51 -7.441 -2.911 5.767 1.00 0.00 C ATOM 838 CG ASP A 51 -8.007 -3.887 4.753 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.224 -4.423 3.941 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.234 -4.118 4.775 1.00 0.00 O ATOM 0 H ASP A 51 -7.909 -1.411 3.481 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.211 -1.151 5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.797 -3.449 6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.257 -2.486 6.351 1.00 0.00 H new ATOM 845 N ALA A 52 -4.376 -2.620 4.932 1.00 0.00 N ATOM 846 CA ALA A 52 -3.213 -3.180 4.253 1.00 0.00 C ATOM 847 C ALA A 52 -2.495 -4.191 5.141 1.00 0.00 C ATOM 848 O ALA A 52 -1.884 -3.828 6.146 1.00 0.00 O ATOM 849 CB ALA A 52 -2.260 -2.068 3.837 1.00 0.00 C ATOM 0 H ALA A 52 -4.243 -2.456 5.930 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.558 -3.701 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.396 -2.499 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.772 -1.384 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.928 -1.523 4.721 1.00 0.00 H new ATOM 855 N THR A 53 -2.578 -5.462 4.762 1.00 0.00 N ATOM 856 CA THR A 53 -1.941 -6.532 5.522 1.00 0.00 C ATOM 857 C THR A 53 -0.757 -7.118 4.759 1.00 0.00 C ATOM 858 O THR A 53 -0.931 -7.772 3.732 1.00 0.00 O ATOM 859 CB THR A 53 -2.953 -7.634 5.835 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.209 -7.078 6.181 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.523 -8.540 6.968 1.00 0.00 C ATOM 0 H THR A 53 -3.081 -5.777 3.932 1.00 0.00 H new ATOM 0 HA THR A 53 -1.572 -6.107 6.456 1.00 0.00 H new ATOM 0 HB THR A 53 -3.022 -8.229 4.924 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.924 -7.692 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.287 -9.299 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.581 -9.024 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.390 -7.950 7.875 1.00 0.00 H new ATOM 869 N LEU A 54 0.449 -6.875 5.267 1.00 0.00 N ATOM 870 CA LEU A 54 1.660 -7.377 4.631 1.00 0.00 C ATOM 871 C LEU A 54 2.176 -8.625 5.341 1.00 0.00 C ATOM 872 O LEU A 54 2.064 -8.749 6.561 1.00 0.00 O ATOM 873 CB LEU A 54 2.743 -6.297 4.624 1.00 0.00 C ATOM 874 CG LEU A 54 2.672 -5.314 3.454 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.617 -4.252 3.713 1.00 0.00 C ATOM 876 CD2 LEU A 54 4.032 -4.674 3.216 1.00 0.00 C ATOM 0 H LEU A 54 0.611 -6.334 6.116 1.00 0.00 H new ATOM 0 HA LEU A 54 1.414 -7.644 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.679 -5.734 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.719 -6.783 4.611 1.00 0.00 H new ATOM 0 HG LEU A 54 2.389 -5.864 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.581 -3.562 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.644 -4.728 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.868 -3.703 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.965 -3.977 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.343 -4.137 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.763 -5.449 2.985 1.00 0.00 H new ATOM 888 N HIS A 55 2.745 -9.546 4.568 1.00 0.00 N ATOM 889 CA HIS A 55 3.284 -10.783 5.120 1.00 0.00 C ATOM 890 C HIS A 55 4.806 -10.733 5.187 1.00 0.00 C ATOM 891 O HIS A 55 5.465 -10.268 4.256 1.00 0.00 O ATOM 892 CB HIS A 55 2.839 -11.981 4.278 1.00 0.00 C ATOM 893 CG HIS A 55 1.496 -12.519 4.665 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.295 -13.824 5.065 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.281 -11.921 4.716 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.016 -14.006 5.343 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.618 -12.867 5.141 1.00 0.00 N ATOM 0 H HIS A 55 2.844 -9.458 3.557 1.00 0.00 H new ATOM 0 HA HIS A 55 2.897 -10.896 6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.815 -11.688 3.228 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.580 -12.775 4.371 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.021 -14.537 5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.061 -10.893 4.469 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.433 -14.929 5.678 1.00 0.00 H new ATOM 906 N VAL A 56 5.359 -11.218 6.293 1.00 0.00 N ATOM 907 CA VAL A 56 6.805 -11.232 6.483 1.00 0.00 C ATOM 908 C VAL A 56 7.257 -12.522 7.159 1.00 0.00 C ATOM 909 O VAL A 56 6.483 -13.167 7.865 1.00 0.00 O ATOM 910 CB VAL A 56 7.273 -10.032 7.327 1.00 0.00 C ATOM 911 CG1 VAL A 56 7.237 -8.753 6.503 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.421 -9.893 8.579 1.00 0.00 C ATOM 0 H VAL A 56 4.828 -11.607 7.072 1.00 0.00 H new ATOM 0 HA VAL A 56 7.255 -11.166 5.492 1.00 0.00 H new ATOM 0 HB VAL A 56 8.303 -10.209 7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.571 -7.916 7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.896 -8.857 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.218 -8.569 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.767 -9.040 9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.380 -9.740 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.504 -10.800 9.178 1.00 0.00 H new ATOM 922 N ASN A 57 8.513 -12.891 6.938 1.00 0.00 N ATOM 923 CA ASN A 57 9.068 -14.104 7.527 1.00 0.00 C ATOM 924 C ASN A 57 9.194 -13.963 9.041 1.00 0.00 C ATOM 925 O ASN A 57 10.064 -13.247 9.537 1.00 0.00 O ATOM 926 CB ASN A 57 10.436 -14.415 6.917 1.00 0.00 C ATOM 927 CG ASN A 57 10.357 -14.667 5.423 1.00 0.00 C ATOM 928 OD1 ASN A 57 9.848 -13.839 4.669 1.00 0.00 O ATOM 929 ND2 ASN A 57 10.862 -15.816 4.990 1.00 0.00 N ATOM 0 H ASN A 57 9.167 -12.368 6.355 1.00 0.00 H new ATOM 0 HA ASN A 57 8.387 -14.927 7.310 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.114 -13.583 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.860 -15.290 7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.837 -16.041 3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.275 -16.473 5.652 1.00 0.00 H new ATOM 936 N GLY A 58 8.320 -14.650 9.770 1.00 0.00 N ATOM 937 CA GLY A 58 8.351 -14.587 11.220 1.00 0.00 C ATOM 938 C GLY A 58 7.064 -14.039 11.807 1.00 0.00 C ATOM 939 O GLY A 58 6.764 -14.264 12.980 1.00 0.00 O ATOM 0 H GLY A 58 7.591 -15.249 9.383 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.533 -15.585 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.186 -13.961 11.535 1.00 0.00 H new ATOM 943 N GLY A 59 6.298 -13.319 10.992 1.00 0.00 N ATOM 944 CA GLY A 59 5.048 -12.752 11.460 1.00 0.00 C ATOM 945 C GLY A 59 4.285 -12.041 10.358 1.00 0.00 C ATOM 946 O GLY A 59 4.680 -12.083 9.193 1.00 0.00 O ATOM 0 H GLY A 59 6.521 -13.119 10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.426 -13.545 11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.251 -12.050 12.268 1.00 0.00 H new ATOM 950 N GLU A 60 3.188 -11.388 10.729 1.00 0.00 N ATOM 951 CA GLU A 60 2.368 -10.663 9.765 1.00 0.00 C ATOM 952 C GLU A 60 1.871 -9.347 10.355 1.00 0.00 C ATOM 953 O GLU A 60 1.359 -9.312 11.474 1.00 0.00 O ATOM 954 CB GLU A 60 1.178 -11.521 9.327 1.00 0.00 C ATOM 955 CG GLU A 60 1.553 -12.627 8.354 1.00 0.00 C ATOM 956 CD GLU A 60 1.446 -14.010 8.971 1.00 0.00 C ATOM 957 OE1 GLU A 60 2.077 -14.239 10.023 1.00 0.00 O ATOM 958 OE2 GLU A 60 0.731 -14.860 8.401 1.00 0.00 O ATOM 0 H GLU A 60 2.847 -11.346 11.689 1.00 0.00 H new ATOM 0 HA GLU A 60 2.986 -10.441 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.716 -11.965 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.429 -10.879 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.904 -12.572 7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.573 -12.467 8.004 1.00 0.00 H new ATOM 965 N ILE A 61 2.025 -8.266 9.597 1.00 0.00 N ATOM 966 CA ILE A 61 1.591 -6.950 10.049 1.00 0.00 C ATOM 967 C ILE A 61 0.272 -6.556 9.394 1.00 0.00 C ATOM 968 O ILE A 61 0.056 -6.813 8.208 1.00 0.00 O ATOM 969 CB ILE A 61 2.647 -5.871 9.739 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.040 -6.349 10.157 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.292 -4.568 10.441 1.00 0.00 C ATOM 972 CD1 ILE A 61 4.968 -6.593 8.988 1.00 0.00 C ATOM 0 H ILE A 61 2.447 -8.276 8.668 1.00 0.00 H new ATOM 0 HA ILE A 61 1.456 -7.014 11.129 1.00 0.00 H new ATOM 0 HB ILE A 61 2.657 -5.691 8.664 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.488 -5.606 10.818 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.942 -7.270 10.732 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.046 -3.815 10.213 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.318 -4.222 10.095 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.257 -4.733 11.518 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.937 -6.929 9.357 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.542 -7.357 8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.095 -5.668 8.425 1.00 0.00 H new ATOM 984 N HIS A 62 -0.605 -5.924 10.168 1.00 0.00 N ATOM 985 CA HIS A 62 -1.900 -5.488 9.657 1.00 0.00 C ATOM 986 C HIS A 62 -2.191 -4.050 10.073 1.00 0.00 C ATOM 987 O HIS A 62 -2.396 -3.765 11.253 1.00 0.00 O ATOM 988 CB HIS A 62 -3.009 -6.412 10.161 1.00 0.00 C ATOM 989 CG HIS A 62 -4.334 -6.169 9.507 1.00 0.00 C ATOM 990 ND1 HIS A 62 -5.339 -7.113 9.465 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.817 -5.079 8.865 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.381 -6.615 8.825 1.00 0.00 C ATOM 993 NE2 HIS A 62 -6.091 -5.382 8.451 1.00 0.00 N ATOM 0 H HIS A 62 -0.443 -5.703 11.150 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.867 -5.533 8.568 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.713 -7.447 9.991 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.116 -6.284 11.238 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.286 -8.049 9.866 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.297 -4.145 8.708 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.313 -7.129 8.639 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.212 -3.146 9.100 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.485 -1.740 9.371 1.00 0.00 C ATOM 1004 C ALA A 63 -3.635 -1.234 8.508 1.00 0.00 C ATOM 1005 O ALA A 63 -3.903 -1.779 7.438 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.237 -0.904 9.132 1.00 0.00 C ATOM 0 H ALA A 63 -2.043 -3.362 8.117 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.776 -1.645 10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.456 0.144 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.439 -1.245 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.921 -1.011 8.094 1.00 0.00 H new ATOM 1012 N SER A 64 -4.311 -0.188 8.974 1.00 0.00 N ATOM 1013 CA SER A 64 -5.427 0.391 8.239 1.00 0.00 C ATOM 1014 C SER A 64 -5.405 1.913 8.347 1.00 0.00 C ATOM 1015 O SER A 64 -4.953 2.463 9.352 1.00 0.00 O ATOM 1016 CB SER A 64 -6.756 -0.154 8.769 1.00 0.00 C ATOM 1017 OG SER A 64 -7.531 -0.717 7.724 1.00 0.00 O ATOM 0 H SER A 64 -4.104 0.275 9.859 1.00 0.00 H new ATOM 0 HA SER A 64 -5.328 0.113 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.565 -0.909 9.531 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.316 0.649 9.249 1.00 0.00 H new ATOM 0 HG SER A 64 -7.762 -0.019 7.076 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.888 2.590 7.311 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.914 4.046 7.304 1.00 0.00 C ATOM 1025 C ALA A 65 -7.176 4.578 6.634 1.00 0.00 C ATOM 1026 O ALA A 65 -7.824 3.875 5.857 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.676 4.593 6.610 1.00 0.00 C ATOM 0 H ALA A 65 -6.265 2.155 6.469 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.919 4.385 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.709 5.682 6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.784 4.256 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.646 4.233 5.582 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.516 5.825 6.939 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.698 6.462 6.369 1.00 0.00 C ATOM 1035 C GLU A 66 -8.315 7.736 5.624 1.00 0.00 C ATOM 1036 O GLU A 66 -7.345 8.404 5.980 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.711 6.783 7.468 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.187 7.752 8.515 1.00 0.00 C ATOM 1039 CD GLU A 66 -9.896 7.610 9.848 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -9.523 6.707 10.626 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -10.824 8.403 10.113 1.00 0.00 O ATOM 0 H GLU A 66 -6.988 6.417 7.580 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.152 5.768 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.608 7.203 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.008 5.856 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.119 7.586 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.305 8.773 8.152 1.00 0.00 H new ATOM 1048 N GLY A 67 -9.080 8.066 4.590 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.799 9.259 3.814 1.00 0.00 C ATOM 1050 C GLY A 67 -10.050 9.885 3.231 1.00 0.00 C ATOM 1051 O GLY A 67 -11.069 9.215 3.064 1.00 0.00 O ATOM 0 H GLY A 67 -9.889 7.530 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.294 9.989 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.112 9.008 3.005 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.973 11.175 2.923 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.107 11.899 2.358 1.00 0.00 C ATOM 1057 C GLN A 68 -11.557 11.289 1.030 1.00 0.00 C ATOM 1058 O GLN A 68 -12.659 11.566 0.556 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.744 13.372 2.155 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.932 14.247 1.788 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.356 15.160 2.922 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -12.847 14.703 3.954 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -12.167 16.461 2.734 1.00 0.00 N ATOM 0 H GLN A 68 -9.136 11.742 3.055 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.934 11.822 3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.290 13.755 3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.992 13.447 1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.679 14.850 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.772 13.613 1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.756 16.796 1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.432 17.125 3.461 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.704 10.460 0.431 1.00 0.00 N ATOM 1073 CA ASP A 69 -11.030 9.820 -0.839 1.00 0.00 C ATOM 1074 C ASP A 69 -10.330 8.468 -0.958 1.00 0.00 C ATOM 1075 O ASP A 69 -9.456 8.138 -0.158 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.631 10.721 -2.010 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.287 11.393 -1.797 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -9.220 12.342 -0.989 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.303 10.968 -2.438 1.00 0.00 O ATOM 0 H ASP A 69 -9.786 10.217 0.804 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.107 9.658 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.596 10.128 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.396 11.484 -2.154 1.00 0.00 H new ATOM 1084 N MET A 70 -10.721 7.691 -1.963 1.00 0.00 N ATOM 1085 CA MET A 70 -10.132 6.375 -2.187 1.00 0.00 C ATOM 1086 C MET A 70 -8.632 6.477 -2.454 1.00 0.00 C ATOM 1087 O MET A 70 -7.901 5.497 -2.311 1.00 0.00 O ATOM 1088 CB MET A 70 -10.822 5.676 -3.360 1.00 0.00 C ATOM 1089 CG MET A 70 -10.460 4.205 -3.490 1.00 0.00 C ATOM 1090 SD MET A 70 -11.687 3.118 -2.740 1.00 0.00 S ATOM 1091 CE MET A 70 -11.834 3.845 -1.109 1.00 0.00 C ATOM 0 H MET A 70 -11.443 7.950 -2.635 1.00 0.00 H new ATOM 0 HA MET A 70 -10.279 5.787 -1.281 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.902 5.767 -3.242 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.558 6.190 -4.284 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.354 3.953 -4.545 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.491 4.031 -3.022 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.520 3.250 -0.506 1.00 0.00 H new ATOM 0 HE2 MET A 70 -10.855 3.867 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 70 -12.217 4.862 -1.197 1.00 0.00 H new ATOM 1101 N TYR A 71 -8.176 7.666 -2.839 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.761 7.887 -3.118 1.00 0.00 C ATOM 1103 C TYR A 71 -6.023 8.328 -1.859 1.00 0.00 C ATOM 1104 O TYR A 71 -4.890 7.914 -1.613 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.592 8.936 -4.218 1.00 0.00 C ATOM 1106 CG TYR A 71 -7.020 8.455 -5.586 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.588 7.232 -6.080 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.858 9.226 -6.383 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.977 6.789 -7.330 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.251 8.790 -7.634 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.807 7.572 -8.104 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.197 7.135 -9.349 1.00 0.00 O ATOM 0 H TYR A 71 -8.765 8.489 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.332 6.945 -3.459 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.171 9.821 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.546 9.240 -4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.937 6.616 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.207 10.181 -6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.633 5.834 -7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.903 9.401 -8.241 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.782 7.804 -9.762 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.672 9.171 -1.064 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.079 9.667 0.172 1.00 0.00 C ATOM 1124 C ALA A 72 -5.848 8.531 1.160 1.00 0.00 C ATOM 1125 O ALA A 72 -4.778 8.424 1.761 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.965 10.737 0.791 1.00 0.00 C ATOM 0 H ALA A 72 -7.609 9.525 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.112 10.109 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.509 11.098 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.076 11.566 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.945 10.315 1.012 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.857 7.681 1.323 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.766 6.548 2.238 1.00 0.00 C ATOM 1134 C ALA A 73 -5.542 5.691 1.933 1.00 0.00 C ATOM 1135 O ALA A 73 -4.922 5.133 2.839 1.00 0.00 O ATOM 1136 CB ALA A 73 -8.033 5.710 2.165 1.00 0.00 C ATOM 0 H ALA A 73 -7.748 7.755 0.833 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.659 6.937 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.952 4.868 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.891 6.323 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.165 5.338 1.149 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.197 5.593 0.654 1.00 0.00 N ATOM 1143 CA ILE A 74 -4.044 4.807 0.231 1.00 0.00 C ATOM 1144 C ILE A 74 -2.744 5.553 0.512 1.00 0.00 C ATOM 1145 O ILE A 74 -1.709 4.942 0.772 1.00 0.00 O ATOM 1146 CB ILE A 74 -4.117 4.461 -1.270 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.417 3.716 -1.581 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.913 3.630 -1.690 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.497 2.347 -0.941 1.00 0.00 C ATOM 0 H ILE A 74 -5.699 6.048 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.061 3.881 0.806 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.104 5.391 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.261 4.317 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.516 3.610 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.984 3.397 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.999 4.193 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.892 2.704 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.445 1.877 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.674 1.729 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.430 2.447 0.142 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.807 6.882 0.464 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.635 7.711 0.717 1.00 0.00 C ATOM 1163 C ASP A 75 -1.176 7.571 2.165 1.00 0.00 C ATOM 1164 O ASP A 75 -0.019 7.245 2.432 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.945 9.177 0.407 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.772 9.892 -0.232 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.581 9.746 -1.458 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.042 10.602 0.493 1.00 0.00 O ATOM 0 H ASP A 75 -3.657 7.405 0.252 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.831 7.372 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.806 9.231 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.222 9.690 1.328 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.089 7.819 3.097 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.758 7.713 4.505 1.00 0.00 C ATOM 1175 C GLY A 76 -1.496 6.282 4.933 1.00 0.00 C ATOM 1176 O GLY A 76 -0.652 6.029 5.792 1.00 0.00 O ATOM 0 H GLY A 76 -3.052 8.092 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.876 8.319 4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.575 8.123 5.099 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.221 5.345 4.331 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.063 3.932 4.653 1.00 0.00 C ATOM 1182 C LEU A 77 -0.728 3.401 4.144 1.00 0.00 C ATOM 1183 O LEU A 77 -0.034 2.662 4.841 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.210 3.119 4.046 1.00 0.00 C ATOM 1185 CG LEU A 77 -3.136 1.612 4.293 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -3.233 1.308 5.780 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.236 0.892 3.527 1.00 0.00 C ATOM 0 H LEU A 77 -2.924 5.539 3.618 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.084 3.829 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.152 3.492 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.231 3.295 2.971 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.173 1.251 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.178 0.231 5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.410 1.792 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.181 1.683 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.168 -0.180 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.208 1.257 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.120 1.082 2.460 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.372 3.784 2.924 1.00 0.00 N ATOM 1200 CA ILE A 78 0.879 3.346 2.319 1.00 0.00 C ATOM 1201 C ILE A 78 2.077 4.088 2.917 1.00 0.00 C ATOM 1202 O ILE A 78 3.220 3.648 2.786 1.00 0.00 O ATOM 1203 CB ILE A 78 0.858 3.543 0.787 1.00 0.00 C ATOM 1204 CG1 ILE A 78 1.954 2.707 0.126 1.00 0.00 C ATOM 1205 CG2 ILE A 78 1.011 5.014 0.421 1.00 0.00 C ATOM 1206 CD1 ILE A 78 1.511 1.305 -0.232 1.00 0.00 C ATOM 0 H ILE A 78 -0.933 4.398 2.334 1.00 0.00 H new ATOM 0 HA ILE A 78 0.983 2.283 2.535 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.109 3.204 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.292 3.215 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.810 2.648 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.993 5.123 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.191 5.585 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.959 5.388 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.339 0.769 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.201 0.780 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.674 1.355 -0.929 1.00 0.00 H new ATOM 1218 N ASP A 79 1.805 5.208 3.582 1.00 0.00 N ATOM 1219 CA ASP A 79 2.857 6.004 4.203 1.00 0.00 C ATOM 1220 C ASP A 79 3.305 5.383 5.522 1.00 0.00 C ATOM 1221 O ASP A 79 4.490 5.118 5.724 1.00 0.00 O ATOM 1222 CB ASP A 79 2.372 7.435 4.439 1.00 0.00 C ATOM 1223 CG ASP A 79 3.473 8.343 4.949 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.608 8.248 4.436 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.201 9.150 5.863 1.00 0.00 O ATOM 0 H ASP A 79 0.865 5.584 3.704 1.00 0.00 H new ATOM 0 HA ASP A 79 3.710 6.024 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.974 7.839 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.552 7.424 5.157 1.00 0.00 H new ATOM 1230 N LYS A 80 2.349 5.153 6.418 1.00 0.00 N ATOM 1231 CA LYS A 80 2.651 4.561 7.716 1.00 0.00 C ATOM 1232 C LYS A 80 3.111 3.115 7.557 1.00 0.00 C ATOM 1233 O LYS A 80 3.888 2.609 8.366 1.00 0.00 O ATOM 1234 CB LYS A 80 1.428 4.627 8.634 1.00 0.00 C ATOM 1235 CG LYS A 80 0.268 3.755 8.177 1.00 0.00 C ATOM 1236 CD LYS A 80 -1.001 4.062 8.956 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.411 5.519 8.807 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.183 6.290 10.060 1.00 0.00 N ATOM 0 H LYS A 80 1.363 5.367 6.269 1.00 0.00 H new ATOM 0 HA LYS A 80 3.460 5.134 8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.723 4.325 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.089 5.661 8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.090 3.913 7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.529 2.704 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.808 3.419 8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.846 3.833 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.846 5.974 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.465 5.574 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.378 7.297 9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.816 5.937 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.195 6.176 10.363 1.00 0.00 H new ATOM 1252 N LEU A 81 2.630 2.457 6.506 1.00 0.00 N ATOM 1253 CA LEU A 81 2.999 1.071 6.241 1.00 0.00 C ATOM 1254 C LEU A 81 4.477 0.961 5.881 1.00 0.00 C ATOM 1255 O LEU A 81 5.207 0.162 6.464 1.00 0.00 O ATOM 1256 CB LEU A 81 2.140 0.494 5.111 1.00 0.00 C ATOM 1257 CG LEU A 81 0.790 -0.102 5.535 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.933 -1.589 5.816 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.228 0.618 6.754 1.00 0.00 C ATOM 0 H LEU A 81 1.986 2.860 5.826 1.00 0.00 H new ATOM 0 HA LEU A 81 2.821 0.496 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.955 1.283 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.714 -0.281 4.603 1.00 0.00 H new ATOM 0 HG LEU A 81 0.088 0.034 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.032 -1.997 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.279 -2.098 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.655 -1.740 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.728 0.174 7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.926 0.524 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.084 1.673 6.519 1.00 0.00 H new ATOM 1271 N ALA A 82 4.917 1.774 4.924 1.00 0.00 N ATOM 1272 CA ALA A 82 6.314 1.759 4.500 1.00 0.00 C ATOM 1273 C ALA A 82 7.246 2.006 5.683 1.00 0.00 C ATOM 1274 O ALA A 82 8.136 1.202 5.963 1.00 0.00 O ATOM 1275 CB ALA A 82 6.551 2.794 3.411 1.00 0.00 C ATOM 0 H ALA A 82 4.331 2.447 4.430 1.00 0.00 H new ATOM 0 HA ALA A 82 6.534 0.771 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.597 2.769 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.918 2.570 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.308 3.786 3.792 1.00 0.00 H new ATOM 1281 N ARG A 83 7.038 3.126 6.371 1.00 0.00 N ATOM 1282 CA ARG A 83 7.862 3.485 7.523 1.00 0.00 C ATOM 1283 C ARG A 83 7.922 2.346 8.540 1.00 0.00 C ATOM 1284 O ARG A 83 8.946 2.139 9.193 1.00 0.00 O ATOM 1285 CB ARG A 83 7.316 4.747 8.191 1.00 0.00 C ATOM 1286 CG ARG A 83 7.228 5.943 7.254 1.00 0.00 C ATOM 1287 CD ARG A 83 8.523 6.741 7.247 1.00 0.00 C ATOM 1288 NE ARG A 83 8.507 7.799 6.241 1.00 0.00 N ATOM 1289 CZ ARG A 83 9.352 8.829 6.234 1.00 0.00 C ATOM 1290 NH1 ARG A 83 10.280 8.940 7.176 1.00 0.00 N ATOM 1291 NH2 ARG A 83 9.267 9.748 5.283 1.00 0.00 N ATOM 0 H ARG A 83 6.306 3.801 6.151 1.00 0.00 H new ATOM 0 HA ARG A 83 8.873 3.675 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.324 4.536 8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.953 5.005 9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.005 5.600 6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.404 6.587 7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.684 7.179 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.361 6.071 7.055 1.00 0.00 H new ATOM 0 HE ARG A 83 7.808 7.746 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.349 8.235 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.925 9.730 7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.555 9.666 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.914 10.537 5.277 1.00 0.00 H new ATOM 1305 N GLN A 84 6.823 1.608 8.667 1.00 0.00 N ATOM 1306 CA GLN A 84 6.759 0.491 9.603 1.00 0.00 C ATOM 1307 C GLN A 84 7.543 -0.704 9.071 1.00 0.00 C ATOM 1308 O GLN A 84 8.310 -1.334 9.800 1.00 0.00 O ATOM 1309 CB GLN A 84 5.304 0.091 9.855 1.00 0.00 C ATOM 1310 CG GLN A 84 4.575 1.016 10.814 1.00 0.00 C ATOM 1311 CD GLN A 84 5.205 1.038 12.193 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.092 0.077 12.956 1.00 0.00 O ATOM 1313 NE2 GLN A 84 5.874 2.137 12.522 1.00 0.00 N ATOM 0 H GLN A 84 5.967 1.763 8.135 1.00 0.00 H new ATOM 0 HA GLN A 84 7.207 0.809 10.544 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.771 0.074 8.904 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.279 -0.924 10.253 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.569 2.026 10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.535 0.700 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.943 2.910 11.860 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.319 2.208 13.437 1.00 0.00 H new ATOM 1322 N LEU A 85 7.349 -1.005 7.792 1.00 0.00 N ATOM 1323 CA LEU A 85 8.041 -2.119 7.156 1.00 0.00 C ATOM 1324 C LEU A 85 9.552 -1.947 7.261 1.00 0.00 C ATOM 1325 O LEU A 85 10.276 -2.905 7.529 1.00 0.00 O ATOM 1326 CB LEU A 85 7.627 -2.241 5.684 1.00 0.00 C ATOM 1327 CG LEU A 85 6.372 -3.081 5.409 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.701 -4.565 5.474 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.250 -2.739 6.383 1.00 0.00 C ATOM 0 H LEU A 85 6.718 -0.493 7.175 1.00 0.00 H new ATOM 0 HA LEU A 85 7.758 -3.034 7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.464 -1.239 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.459 -2.672 5.127 1.00 0.00 H new ATOM 0 HG LEU A 85 6.024 -2.843 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.800 -5.146 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.458 -4.803 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.081 -4.810 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.376 -3.351 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.581 -2.935 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.990 -1.685 6.283 1.00 0.00 H new ATOM 1341 N THR A 86 10.019 -0.720 7.053 1.00 0.00 N ATOM 1342 CA THR A 86 11.446 -0.422 7.127 1.00 0.00 C ATOM 1343 C THR A 86 11.962 -0.595 8.551 1.00 0.00 C ATOM 1344 O THR A 86 13.061 -1.110 8.765 1.00 0.00 O ATOM 1345 CB THR A 86 11.715 1.005 6.647 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.984 1.284 5.465 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.177 1.271 6.355 1.00 0.00 C ATOM 0 H THR A 86 9.431 0.084 6.832 1.00 0.00 H new ATOM 0 HA THR A 86 11.973 -1.122 6.479 1.00 0.00 H new ATOM 0 HB THR A 86 11.400 1.650 7.467 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.020 0.508 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.299 2.301 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.763 1.113 7.260 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.522 0.592 5.576 1.00 0.00 H new ATOM 1355 N LYS A 87 11.163 -0.166 9.524 1.00 0.00 N ATOM 1356 CA LYS A 87 11.540 -0.277 10.929 1.00 0.00 C ATOM 1357 C LYS A 87 11.956 -1.704 11.273 1.00 0.00 C ATOM 1358 O LYS A 87 13.086 -1.948 11.697 1.00 0.00 O ATOM 1359 CB LYS A 87 10.381 0.160 11.826 1.00 0.00 C ATOM 1360 CG LYS A 87 10.375 1.649 12.131 1.00 0.00 C ATOM 1361 CD LYS A 87 9.740 1.939 13.481 1.00 0.00 C ATOM 1362 CE LYS A 87 9.106 3.321 13.517 1.00 0.00 C ATOM 1363 NZ LYS A 87 9.449 4.058 14.763 1.00 0.00 N ATOM 0 H LYS A 87 10.251 0.262 9.365 1.00 0.00 H new ATOM 0 HA LYS A 87 12.392 0.380 11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.440 -0.108 11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.429 -0.394 12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.397 2.028 12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.830 2.179 11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.983 1.185 13.697 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.496 1.865 14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.439 3.895 12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.023 3.225 13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.997 4.995 14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.109 3.523 15.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.481 4.172 14.826 1.00 0.00 H new ATOM 1377 N HIS A 88 11.035 -2.645 11.089 1.00 0.00 N ATOM 1378 CA HIS A 88 11.310 -4.047 11.384 1.00 0.00 C ATOM 1379 C HIS A 88 12.332 -4.626 10.405 1.00 0.00 C ATOM 1380 O HIS A 88 12.970 -5.639 10.689 1.00 0.00 O ATOM 1381 CB HIS A 88 10.014 -4.869 11.369 1.00 0.00 C ATOM 1382 CG HIS A 88 9.494 -5.202 10.000 1.00 0.00 C ATOM 1383 ND1 HIS A 88 10.091 -5.792 8.936 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.196 -4.943 9.611 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.152 -5.880 7.939 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.019 -5.362 8.371 1.00 0.00 N flip ATOM 0 H HIS A 88 10.095 -2.463 10.738 1.00 0.00 H new ATOM 0 HA HIS A 88 11.738 -4.102 12.385 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.183 -5.798 11.914 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.245 -4.318 11.910 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.058 -6.111 8.886 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.443 -4.471 10.224 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.315 -6.305 6.959 1.00 0.00 H new ATOM 1395 N LYS A 89 12.484 -3.976 9.253 1.00 0.00 N ATOM 1396 CA LYS A 89 13.431 -4.430 8.239 1.00 0.00 C ATOM 1397 C LYS A 89 14.870 -4.150 8.663 1.00 0.00 C ATOM 1398 O LYS A 89 15.804 -4.785 8.173 1.00 0.00 O ATOM 1399 CB LYS A 89 13.141 -3.751 6.898 1.00 0.00 C ATOM 1400 CG LYS A 89 12.618 -4.703 5.835 1.00 0.00 C ATOM 1401 CD LYS A 89 13.728 -5.582 5.282 1.00 0.00 C ATOM 1402 CE LYS A 89 13.361 -6.157 3.924 1.00 0.00 C ATOM 1403 NZ LYS A 89 14.202 -7.333 3.571 1.00 0.00 N ATOM 0 H LYS A 89 11.965 -3.135 9.000 1.00 0.00 H new ATOM 0 HA LYS A 89 13.311 -5.508 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.411 -2.956 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.054 -3.279 6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.834 -5.329 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.166 -4.132 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.645 -5.000 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.931 -6.395 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.311 -6.450 3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.476 -5.387 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.647 -7.996 2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.033 -7.016 3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.515 -7.809 4.441 1.00 0.00 H new ATOM 1417 N ASP A 90 15.045 -3.199 9.577 1.00 0.00 N ATOM 1418 CA ASP A 90 16.374 -2.843 10.061 1.00 0.00 C ATOM 1419 C ASP A 90 16.820 -3.781 11.181 1.00 0.00 C ATOM 1420 O ASP A 90 18.014 -3.930 11.437 1.00 0.00 O ATOM 1421 CB ASP A 90 16.387 -1.395 10.557 1.00 0.00 C ATOM 1422 CG ASP A 90 16.809 -0.419 9.478 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.954 -0.532 8.989 1.00 0.00 O ATOM 1424 OD2 ASP A 90 15.997 0.461 9.121 1.00 0.00 O ATOM 0 H ASP A 90 14.285 -2.663 9.996 1.00 0.00 H new ATOM 0 HA ASP A 90 17.073 -2.944 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.393 -1.128 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 90 17.066 -1.310 11.405 1.00 0.00 H new ATOM 1429 N LYS A 91 15.854 -4.409 11.845 1.00 0.00 N ATOM 1430 CA LYS A 91 16.152 -5.332 12.935 1.00 0.00 C ATOM 1431 C LYS A 91 17.043 -6.473 12.458 1.00 0.00 C ATOM 1432 O LYS A 91 18.102 -6.730 13.032 1.00 0.00 O ATOM 1433 CB LYS A 91 14.856 -5.893 13.523 1.00 0.00 C ATOM 1434 CG LYS A 91 14.251 -5.020 14.611 1.00 0.00 C ATOM 1435 CD LYS A 91 12.769 -5.304 14.793 1.00 0.00 C ATOM 1436 CE LYS A 91 12.371 -5.267 16.259 1.00 0.00 C ATOM 1437 NZ LYS A 91 12.265 -6.635 16.840 1.00 0.00 N ATOM 0 H LYS A 91 14.860 -4.296 11.648 1.00 0.00 H new ATOM 0 HA LYS A 91 16.686 -4.780 13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.128 -6.017 12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.052 -6.884 13.932 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.774 -5.194 15.551 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.393 -3.970 14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.186 -4.569 14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.531 -6.282 14.375 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.106 -4.690 16.820 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.415 -4.753 16.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.992 -6.567 17.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.546 -7.178 16.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.184 -7.117 16.764 1.00 0.00 H new ATOM 1451 N LEU A 92 16.607 -7.158 11.406 1.00 0.00 N ATOM 1452 CA LEU A 92 17.364 -8.273 10.852 1.00 0.00 C ATOM 1453 C LEU A 92 18.600 -7.776 10.108 1.00 0.00 C ATOM 1454 O LEU A 92 18.706 -7.922 8.889 1.00 0.00 O ATOM 1455 CB LEU A 92 16.483 -9.100 9.912 1.00 0.00 C ATOM 1456 CG LEU A 92 15.582 -10.125 10.604 1.00 0.00 C ATOM 1457 CD1 LEU A 92 14.225 -9.515 10.921 1.00 0.00 C ATOM 1458 CD2 LEU A 92 15.421 -11.365 9.735 1.00 0.00 C ATOM 0 H LEU A 92 15.732 -6.960 10.920 1.00 0.00 H new ATOM 0 HA LEU A 92 17.691 -8.904 11.679 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.857 -8.420 9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 92 17.125 -9.623 9.203 1.00 0.00 H new ATOM 0 HG LEU A 92 16.053 -10.420 11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.598 -10.259 11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.357 -8.658 11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.747 -9.191 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.777 -12.084 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.972 -11.086 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.398 -11.815 9.558 1.00 0.00 H new ATOM 1470 N LYS A 93 19.533 -7.187 10.849 1.00 0.00 N ATOM 1471 CA LYS A 93 20.762 -6.668 10.261 1.00 0.00 C ATOM 1472 C LYS A 93 21.982 -7.148 11.039 1.00 0.00 C ATOM 1473 O LYS A 93 21.863 -7.625 12.169 1.00 0.00 O ATOM 1474 CB LYS A 93 20.732 -5.140 10.230 1.00 0.00 C ATOM 1475 CG LYS A 93 21.577 -4.538 9.119 1.00 0.00 C ATOM 1476 CD LYS A 93 21.027 -3.195 8.668 1.00 0.00 C ATOM 1477 CE LYS A 93 21.177 -3.008 7.166 1.00 0.00 C ATOM 1478 NZ LYS A 93 20.010 -2.297 6.575 1.00 0.00 N ATOM 0 H LYS A 93 19.461 -7.057 11.858 1.00 0.00 H new ATOM 0 HA LYS A 93 20.833 -7.044 9.240 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.701 -4.807 10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.082 -4.758 11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.603 -4.414 9.467 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.608 -5.223 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.975 -3.121 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.549 -2.393 9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.087 -2.445 6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.289 -3.981 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.151 -2.190 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.144 -2.846 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.918 -1.358 7.012 1.00 0.00 H new ATOM 1492 N GLN A 94 23.155 -7.020 10.428 1.00 0.00 N ATOM 1493 CA GLN A 94 24.399 -7.442 11.063 1.00 0.00 C ATOM 1494 C GLN A 94 25.432 -6.320 11.030 1.00 0.00 C ATOM 1495 O GLN A 94 25.866 -5.893 9.961 1.00 0.00 O ATOM 1496 CB GLN A 94 24.955 -8.686 10.369 1.00 0.00 C ATOM 1497 CG GLN A 94 25.287 -8.466 8.902 1.00 0.00 C ATOM 1498 CD GLN A 94 26.766 -8.624 8.606 1.00 0.00 C ATOM 1499 OE1 GLN A 94 27.363 -7.804 7.908 1.00 0.00 O ATOM 1500 NE2 GLN A 94 27.365 -9.682 9.138 1.00 0.00 N ATOM 0 H GLN A 94 23.271 -6.627 9.494 1.00 0.00 H new ATOM 0 HA GLN A 94 24.184 -7.683 12.104 1.00 0.00 H new ATOM 0 HB2 GLN A 94 25.854 -9.012 10.892 1.00 0.00 H new ATOM 0 HB3 GLN A 94 24.228 -9.494 10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 94 24.722 -9.174 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 94 24.966 -7.467 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 94 26.831 -10.336 9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 94 28.359 -9.841 8.975 1.00 0.00 H new ATOM 1509 N HIS A 95 25.825 -5.848 12.209 1.00 0.00 N ATOM 1510 CA HIS A 95 26.809 -4.777 12.315 1.00 0.00 C ATOM 1511 C HIS A 95 28.136 -5.307 12.848 1.00 0.00 C ATOM 1512 O HIS A 95 28.946 -4.490 13.333 1.00 0.00 O ATOM 1513 CB HIS A 95 26.287 -3.665 13.228 1.00 0.00 C ATOM 1514 CG HIS A 95 24.893 -3.227 12.901 1.00 0.00 C ATOM 1515 ND1 HIS A 95 23.793 -3.596 13.646 1.00 0.00 N ATOM 1516 CD2 HIS A 95 24.422 -2.444 11.900 1.00 0.00 C ATOM 1517 CE1 HIS A 95 22.707 -3.061 13.119 1.00 0.00 C ATOM 1518 NE2 HIS A 95 23.061 -2.356 12.059 1.00 0.00 N ATOM 1519 OXT HIS A 95 28.354 -6.534 12.774 1.00 0.00 O ATOM 0 H HIS A 95 25.477 -6.191 13.104 1.00 0.00 H new ATOM 0 HA HIS A 95 26.975 -4.371 11.317 1.00 0.00 H new ATOM 0 HB2 HIS A 95 26.318 -4.010 14.261 1.00 0.00 H new ATOM 0 HB3 HIS A 95 26.955 -2.806 13.159 1.00 0.00 H new ATOM 0 HD2 HIS A 95 25.008 -1.977 11.122 1.00 0.00 H new ATOM 0 HE1 HIS A 95 21.700 -3.180 13.491 1.00 0.00 H new ATOM 0 HE2 HIS A 95 22.426 -1.832 11.457 1.00 0.00 H new TER 1528 HIS A 95