USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1140 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: B 98 ASN : amide:sc= 0.146 X(o=0.054,f=-0.096) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -169:sc= -0.0915 (180deg=-0.318) USER MOD Set 2.1: B 83 GLN : amide:sc= -0.0463 K(o=0.086,f=-5.5!) USER MOD Set 2.2: B 84 SER OG : rot 16:sc= 0.132 USER MOD Set 3.1: A 62 GLN : amide:sc= 0.674 K(o=0.53,f=-2.1) USER MOD Set 3.2: A 64 GLN : amide:sc= -0.142 K(o=0.53,f=-3.9!) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.898 K(o=-0.84,f=-1.8) USER MOD Set 4.2: A 30 THR OG1 : rot -16:sc= 0.06 USER MOD Set 5.1: A 4 ASN : amide:sc= 0.0642 K(o=0.023,f=-8.3!) USER MOD Set 5.2: A 37 ASN : amide:sc= -0.0407 K(o=0.023,f=-3.9!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0449 (180deg=-0.4) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.22 (180deg=1.12) USER MOD Single : A 5 ASN : amide:sc= -0.0471 K(o=-0.047,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.947) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.14) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc=-0.00992 (180deg=-0.209) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00112 X(o=-0.0011,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.064) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 1.11 (180deg=1.09) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.0078) USER MOD Single : A 55 THR OG1 : rot -150:sc= -0.0999 USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -1.51 K(o=-1.5,f=-6.4!) USER MOD Single : B 71 ASN : amide:sc= 1.04 K(o=1,f=-0.17) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ 146:sc= 1.2 (180deg=0.916) USER MOD Single : B 79 LYS NZ :NH3+ -162:sc= 1.31 (180deg=1.24) USER MOD Single : B 80 LYS NZ :NH3+ 167:sc=-0.00755 (180deg=-0.151) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc=-0.00232 K(o=-0.0023,f=-0.81) USER MOD Single : B 96 THR OG1 : rot -150:sc= -0.245 USER MOD Single : B 103 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.12) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc=-0.00824 X(o=-0.0082,f=-0.012) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 121 THR OG1 : rot -130:sc= -0.152 USER MOD Single : B 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 130 GLN : amide:sc= -1.9! C(o=-1.9!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.415 -5.361 4.233 1.00 4.52 N ATOM 2 CA MET A 1 11.880 -6.463 5.035 1.00 15.43 C ATOM 3 C MET A 1 10.466 -6.131 5.463 1.00 54.41 C ATOM 4 O MET A 1 10.090 -4.960 5.499 1.00 33.23 O ATOM 5 CB MET A 1 12.756 -6.719 6.268 1.00 32.24 C ATOM 6 CG MET A 1 14.135 -7.277 5.954 1.00 0.23 C ATOM 7 SD MET A 1 15.118 -7.596 7.442 1.00 54.32 S ATOM 8 CE MET A 1 15.339 -5.927 8.070 1.00 74.51 C ATOM 0 H1 MET A 1 13.305 -5.658 3.784 1.00 4.52 H new ATOM 0 H2 MET A 1 11.727 -5.100 3.498 1.00 4.52 H new ATOM 0 H3 MET A 1 12.594 -4.540 4.846 1.00 4.52 H new ATOM 0 HA MET A 1 11.877 -7.369 4.429 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.872 -5.784 6.817 1.00 32.24 H new ATOM 0 HB3 MET A 1 12.238 -7.414 6.929 1.00 32.24 H new ATOM 0 HG2 MET A 1 14.027 -8.203 5.390 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.669 -6.574 5.315 1.00 0.23 H new ATOM 0 HE1 MET A 1 16.144 -5.918 8.805 1.00 74.51 H new ATOM 0 HE2 MET A 1 15.592 -5.259 7.247 1.00 74.51 H new ATOM 0 HE3 MET A 1 14.415 -5.590 8.540 1.00 74.51 H new ATOM 20 N ILE A 2 9.690 -7.142 5.777 1.00 22.43 N ATOM 21 CA ILE A 2 8.294 -6.979 6.151 1.00 32.41 C ATOM 22 C ILE A 2 7.995 -7.761 7.436 1.00 45.13 C ATOM 23 O ILE A 2 8.459 -8.893 7.616 1.00 32.11 O ATOM 24 CB ILE A 2 7.322 -7.462 4.998 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.484 -6.608 3.720 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.852 -7.475 5.443 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.143 -5.136 3.896 1.00 54.01 C ATOM 0 H ILE A 2 10.007 -8.111 5.782 1.00 22.43 H new ATOM 0 HA ILE A 2 8.121 -5.916 6.320 1.00 32.41 H new ATOM 0 HB ILE A 2 7.610 -8.488 4.767 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.514 -6.690 3.372 1.00 72.41 H new ATOM 0 HG13 ILE A 2 6.849 -7.024 2.938 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.225 -7.813 4.618 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.734 -8.152 6.289 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.552 -6.469 5.738 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.285 -4.614 2.950 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.104 -5.038 4.212 1.00 54.01 H new ATOM 0 HD13 ILE A 2 7.795 -4.699 4.653 1.00 54.01 H new ATOM 39 N ILE A 3 7.247 -7.140 8.310 1.00 31.31 N ATOM 40 CA ILE A 3 6.775 -7.725 9.534 1.00 25.12 C ATOM 41 C ILE A 3 5.258 -7.661 9.451 1.00 13.31 C ATOM 42 O ILE A 3 4.679 -6.588 9.361 1.00 33.20 O ATOM 43 CB ILE A 3 7.291 -6.949 10.789 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.834 -6.972 10.824 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.709 -7.546 12.077 1.00 51.22 C ATOM 46 CD1 ILE A 3 9.453 -6.234 11.995 1.00 2.41 C ATOM 0 H ILE A 3 6.939 -6.176 8.182 1.00 31.31 H new ATOM 0 HA ILE A 3 7.141 -8.746 9.646 1.00 25.12 H new ATOM 0 HB ILE A 3 6.957 -5.914 10.721 1.00 23.21 H new ATOM 0 HG12 ILE A 3 9.168 -8.009 10.849 1.00 63.44 H new ATOM 0 HG13 ILE A 3 9.211 -6.538 9.898 1.00 63.44 H new ATOM 0 HG21 ILE A 3 7.082 -6.990 12.937 1.00 51.22 H new ATOM 0 HG22 ILE A 3 5.621 -7.483 12.048 1.00 51.22 H new ATOM 0 HG23 ILE A 3 7.010 -8.590 12.162 1.00 51.22 H new ATOM 0 HD11 ILE A 3 10.539 -6.304 11.936 1.00 2.41 H new ATOM 0 HD12 ILE A 3 9.155 -5.186 11.963 1.00 2.41 H new ATOM 0 HD13 ILE A 3 9.111 -6.681 12.929 1.00 2.41 H new ATOM 58 N ASN A 4 4.627 -8.780 9.426 1.00 20.22 N ATOM 59 CA ASN A 4 3.197 -8.839 9.153 1.00 24.23 C ATOM 60 C ASN A 4 2.395 -9.084 10.413 1.00 32.00 C ATOM 61 O ASN A 4 2.766 -9.922 11.251 1.00 60.31 O ATOM 62 CB ASN A 4 2.964 -9.951 8.137 1.00 41.35 C ATOM 63 CG ASN A 4 1.524 -10.173 7.774 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.712 -9.260 7.796 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.204 -11.387 7.443 1.00 33.01 N ATOM 0 H ASN A 4 5.065 -9.687 9.590 1.00 20.22 H new ATOM 0 HA ASN A 4 2.861 -7.881 8.755 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.522 -9.720 7.230 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.372 -10.880 8.534 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.242 -11.609 7.188 1.00 33.01 H new ATOM 0 HD22 ASN A 4 1.915 -12.119 7.438 1.00 33.01 H new ATOM 72 N ASN A 5 1.302 -8.360 10.541 1.00 65.43 N ATOM 73 CA ASN A 5 0.401 -8.461 11.676 1.00 54.20 C ATOM 74 C ASN A 5 -1.041 -8.564 11.202 1.00 74.31 C ATOM 75 O ASN A 5 -1.964 -8.326 11.970 1.00 70.34 O ATOM 76 CB ASN A 5 0.582 -7.257 12.629 1.00 72.22 C ATOM 77 CG ASN A 5 1.787 -7.401 13.547 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.124 -8.512 13.975 1.00 62.01 O ATOM 79 ND2 ASN A 5 2.468 -6.316 13.829 1.00 62.53 N ATOM 0 H ASN A 5 1.008 -7.672 9.848 1.00 65.43 H new ATOM 0 HA ASN A 5 0.646 -9.368 12.229 1.00 54.20 H new ATOM 0 HB2 ASN A 5 0.688 -6.347 12.039 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.317 -7.141 13.234 1.00 72.22 H new ATOM 0 HD21 ASN A 5 3.300 -6.374 14.416 1.00 62.53 H new ATOM 0 HD22 ASN A 5 2.165 -5.414 13.461 1.00 62.53 H new ATOM 86 N LEU A 6 -1.217 -8.990 9.943 1.00 31.42 N ATOM 87 CA LEU A 6 -2.538 -9.131 9.291 1.00 41.12 C ATOM 88 C LEU A 6 -3.532 -9.893 10.170 1.00 32.41 C ATOM 89 O LEU A 6 -4.667 -9.438 10.378 1.00 15.34 O ATOM 90 CB LEU A 6 -2.358 -9.818 7.896 1.00 22.14 C ATOM 91 CG LEU A 6 -3.598 -10.033 6.976 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.472 -11.199 7.413 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.419 -8.765 6.872 1.00 33.32 C ATOM 0 H LEU A 6 -0.439 -9.251 9.337 1.00 31.42 H new ATOM 0 HA LEU A 6 -2.961 -8.137 9.145 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.633 -9.229 7.334 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -1.908 -10.795 8.070 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.207 -10.287 5.991 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.318 -11.295 6.732 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -3.887 -12.118 7.397 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -4.839 -11.020 8.424 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.279 -8.940 6.225 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -4.765 -8.473 7.864 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -3.805 -7.968 6.452 1.00 33.32 H new ATOM 105 N LYS A 7 -3.112 -11.033 10.692 1.00 14.34 N ATOM 106 CA LYS A 7 -3.987 -11.835 11.526 1.00 42.10 C ATOM 107 C LYS A 7 -4.389 -11.090 12.797 1.00 53.11 C ATOM 108 O LYS A 7 -5.521 -11.168 13.214 1.00 74.22 O ATOM 109 CB LYS A 7 -3.416 -13.223 11.855 1.00 5.41 C ATOM 110 CG LYS A 7 -2.143 -13.227 12.690 1.00 35.52 C ATOM 111 CD LYS A 7 -1.778 -14.634 13.124 1.00 25.45 C ATOM 112 CE LYS A 7 -2.874 -15.243 13.992 1.00 12.21 C ATOM 113 NZ LYS A 7 -2.535 -16.598 14.451 1.00 61.12 N ATOM 0 H LYS A 7 -2.179 -11.420 10.554 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.884 -12.008 10.932 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -4.179 -13.794 12.384 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -3.218 -13.746 10.920 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -1.324 -12.798 12.112 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -2.279 -12.596 13.568 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -1.617 -15.259 12.245 1.00 25.45 H new ATOM 0 HD3 LYS A 7 -0.840 -14.615 13.678 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -3.048 -14.602 14.856 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -3.806 -15.276 13.427 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -3.310 -16.970 15.037 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -2.395 -17.218 13.628 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -1.661 -16.566 15.013 1.00 61.12 H new ATOM 127 N LEU A 8 -3.452 -10.353 13.379 1.00 3.54 N ATOM 128 CA LEU A 8 -3.685 -9.618 14.617 1.00 24.22 C ATOM 129 C LEU A 8 -4.771 -8.548 14.392 1.00 33.32 C ATOM 130 O LEU A 8 -5.647 -8.368 15.230 1.00 35.35 O ATOM 131 CB LEU A 8 -2.334 -9.021 15.126 1.00 15.15 C ATOM 132 CG LEU A 8 -2.254 -8.452 16.573 1.00 23.14 C ATOM 133 CD1 LEU A 8 -3.001 -7.138 16.735 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.756 -9.478 17.583 1.00 34.11 C ATOM 0 H LEU A 8 -2.508 -10.247 13.007 1.00 3.54 H new ATOM 0 HA LEU A 8 -4.057 -10.284 15.395 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.577 -9.800 15.037 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -2.050 -8.221 14.442 1.00 15.15 H new ATOM 0 HG LEU A 8 -1.202 -8.242 16.767 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.909 -6.792 17.764 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.577 -6.393 16.062 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -4.054 -7.286 16.495 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -2.692 -9.061 18.588 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.793 -9.731 17.360 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -2.143 -10.377 17.524 1.00 34.11 H new ATOM 146 N ILE A 9 -4.735 -7.887 13.237 1.00 72.34 N ATOM 147 CA ILE A 9 -5.761 -6.889 12.872 1.00 55.53 C ATOM 148 C ILE A 9 -7.115 -7.572 12.706 1.00 3.21 C ATOM 149 O ILE A 9 -8.159 -7.048 13.118 1.00 40.20 O ATOM 150 CB ILE A 9 -5.381 -6.052 11.590 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.344 -4.962 11.913 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.608 -5.419 10.930 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.012 -5.455 12.413 1.00 1.24 C ATOM 0 H ILE A 9 -4.010 -8.018 12.532 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.819 -6.170 13.690 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.941 -6.757 10.885 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.177 -4.368 11.015 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -4.768 -4.294 12.663 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.297 -4.853 10.052 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.304 -6.202 10.629 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.098 -4.751 11.638 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.359 -4.604 12.609 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.156 -6.021 13.333 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.555 -6.097 11.659 1.00 1.24 H new ATOM 165 N ARG A 10 -7.083 -8.754 12.143 1.00 23.44 N ATOM 166 CA ARG A 10 -8.270 -9.561 12.005 1.00 2.23 C ATOM 167 C ARG A 10 -8.810 -9.958 13.360 1.00 61.23 C ATOM 168 O ARG A 10 -10.005 -10.140 13.514 1.00 0.10 O ATOM 169 CB ARG A 10 -8.005 -10.803 11.199 1.00 24.15 C ATOM 170 CG ARG A 10 -7.927 -10.592 9.713 1.00 71.12 C ATOM 171 CD ARG A 10 -7.649 -11.906 9.032 1.00 32.20 C ATOM 172 NE ARG A 10 -8.502 -12.976 9.570 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.352 -14.262 9.298 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.683 -14.637 8.215 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.921 -15.160 10.073 1.00 51.23 N ATOM 0 H ARG A 10 -6.237 -9.183 11.769 1.00 23.44 H new ATOM 0 HA ARG A 10 -9.008 -8.954 11.481 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -7.068 -11.245 11.538 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.792 -11.528 11.407 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.863 -10.171 9.345 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.140 -9.875 9.478 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.820 -11.806 7.960 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.600 -12.172 9.164 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.262 -12.708 10.196 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -7.285 -13.934 7.593 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.567 -15.628 8.005 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -9.473 -14.863 10.877 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.810 -16.153 9.869 1.00 51.23 H new ATOM 189 N GLU A 11 -7.913 -10.184 14.311 1.00 3.43 N ATOM 190 CA GLU A 11 -8.284 -10.473 15.676 1.00 32.25 C ATOM 191 C GLU A 11 -8.852 -9.248 16.395 1.00 23.22 C ATOM 192 O GLU A 11 -9.651 -9.390 17.316 1.00 24.24 O ATOM 193 CB GLU A 11 -7.165 -11.152 16.454 1.00 73.21 C ATOM 194 CG GLU A 11 -6.703 -12.436 15.789 1.00 31.54 C ATOM 195 CD GLU A 11 -5.952 -13.344 16.702 1.00 75.21 C ATOM 196 OE1 GLU A 11 -4.758 -13.133 16.948 1.00 73.43 O ATOM 197 OE2 GLU A 11 -6.556 -14.313 17.195 1.00 52.20 O ATOM 0 H GLU A 11 -6.906 -10.170 14.149 1.00 3.43 H new ATOM 0 HA GLU A 11 -9.096 -11.199 15.630 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -6.321 -10.468 16.546 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -7.509 -11.371 17.465 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -7.572 -12.965 15.397 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -6.071 -12.187 14.937 1.00 31.54 H new ATOM 204 N LYS A 12 -8.341 -8.065 16.043 1.00 12.34 N ATOM 205 CA LYS A 12 -8.896 -6.783 16.521 1.00 0.30 C ATOM 206 C LYS A 12 -10.375 -6.639 16.112 1.00 41.03 C ATOM 207 O LYS A 12 -11.190 -6.099 16.860 1.00 70.21 O ATOM 208 CB LYS A 12 -8.043 -5.607 16.006 1.00 31.15 C ATOM 209 CG LYS A 12 -6.624 -5.619 16.566 1.00 63.14 C ATOM 210 CD LYS A 12 -5.698 -4.583 15.926 1.00 63.03 C ATOM 211 CE LYS A 12 -6.193 -3.160 16.099 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.158 -2.178 15.716 1.00 22.43 N ATOM 0 H LYS A 12 -7.537 -7.962 15.424 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.860 -6.769 17.610 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.000 -5.644 14.917 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.527 -4.668 16.274 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.666 -5.440 17.640 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -6.196 -6.611 16.425 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.704 -4.672 16.364 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.598 -4.801 14.863 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -7.084 -3.007 15.491 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.484 -2.998 17.137 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.611 -1.275 15.469 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -4.506 -2.032 16.513 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.627 -2.535 14.896 1.00 22.43 H new ATOM 226 N LYS A 13 -10.704 -7.116 14.928 1.00 11.23 N ATOM 227 CA LYS A 13 -12.098 -7.219 14.495 1.00 71.54 C ATOM 228 C LYS A 13 -12.495 -8.673 14.745 1.00 62.41 C ATOM 229 O LYS A 13 -11.776 -9.347 15.471 1.00 22.21 O ATOM 230 CB LYS A 13 -12.244 -6.788 13.021 1.00 24.24 C ATOM 231 CG LYS A 13 -11.834 -5.323 12.789 1.00 24.13 C ATOM 232 CD LYS A 13 -12.619 -4.393 13.716 1.00 4.22 C ATOM 233 CE LYS A 13 -12.154 -2.937 13.660 1.00 44.25 C ATOM 234 NZ LYS A 13 -12.412 -2.284 12.359 1.00 54.41 N ATOM 0 H LYS A 13 -10.026 -7.442 14.239 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.761 -6.551 15.045 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.631 -7.436 12.394 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.279 -6.926 12.707 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.765 -5.206 12.967 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.016 -5.049 11.750 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.676 -4.439 13.453 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.530 -4.755 14.740 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -12.656 -2.373 14.446 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.086 -2.897 13.872 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -12.281 -1.257 12.454 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -11.749 -2.653 11.648 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -13.388 -2.482 12.059 1.00 54.41 H new ATOM 248 N LYS A 14 -13.597 -9.203 14.271 1.00 71.43 N ATOM 249 CA LYS A 14 -13.828 -10.619 14.536 1.00 32.42 C ATOM 250 C LYS A 14 -14.086 -11.351 13.209 1.00 13.24 C ATOM 251 O LYS A 14 -14.958 -12.224 13.106 1.00 5.54 O ATOM 252 CB LYS A 14 -15.046 -10.759 15.489 1.00 73.24 C ATOM 253 CG LYS A 14 -16.379 -10.329 14.881 1.00 40.21 C ATOM 254 CD LYS A 14 -17.515 -10.388 15.874 1.00 43.22 C ATOM 255 CE LYS A 14 -18.858 -10.207 15.181 1.00 70.42 C ATOM 256 NZ LYS A 14 -18.878 -9.024 14.290 1.00 23.43 N ATOM 0 H LYS A 14 -14.314 -8.719 13.731 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.954 -11.064 15.011 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -15.125 -11.799 15.807 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -14.861 -10.165 16.384 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -16.288 -9.313 14.498 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -16.610 -10.971 14.031 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -17.497 -11.345 16.395 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -17.384 -9.612 16.628 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -19.087 -11.100 14.600 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -19.641 -10.106 15.933 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -19.852 -8.843 13.974 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -18.522 -8.194 14.806 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -18.274 -9.202 13.463 1.00 23.43 H new ATOM 270 N ILE A 15 -13.263 -11.082 12.234 1.00 13.13 N ATOM 271 CA ILE A 15 -13.512 -11.599 10.903 1.00 43.54 C ATOM 272 C ILE A 15 -12.439 -12.623 10.529 1.00 51.30 C ATOM 273 O ILE A 15 -11.231 -12.375 10.706 1.00 65.41 O ATOM 274 CB ILE A 15 -13.587 -10.459 9.843 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.628 -9.404 10.275 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.966 -11.032 8.480 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.751 -8.216 9.339 1.00 1.24 C ATOM 0 H ILE A 15 -12.420 -10.514 12.326 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.484 -12.092 10.910 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.608 -9.985 9.768 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.602 -9.887 10.358 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -14.367 -9.041 11.269 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -14.015 -10.226 7.748 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.216 -11.759 8.170 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.938 -11.520 8.548 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -15.505 -7.528 9.722 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.791 -7.703 9.274 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -15.046 -8.562 8.348 1.00 1.24 H new ATOM 289 N SER A 16 -12.872 -13.758 10.027 1.00 2.42 N ATOM 290 CA SER A 16 -11.988 -14.828 9.685 1.00 41.31 C ATOM 291 C SER A 16 -11.731 -14.911 8.164 1.00 13.21 C ATOM 292 O SER A 16 -12.247 -14.078 7.389 1.00 35.13 O ATOM 293 CB SER A 16 -12.511 -16.129 10.271 1.00 43.33 C ATOM 294 OG SER A 16 -12.538 -16.046 11.700 1.00 71.34 O ATOM 0 H SER A 16 -13.856 -13.957 9.847 1.00 2.42 H new ATOM 0 HA SER A 16 -11.011 -14.630 10.126 1.00 41.31 H new ATOM 0 HB2 SER A 16 -13.512 -16.332 9.891 1.00 43.33 H new ATOM 0 HB3 SER A 16 -11.877 -16.959 9.959 1.00 43.33 H new ATOM 0 HG SER A 16 -12.878 -16.887 12.070 1.00 71.34 H new ATOM 300 N GLN A 17 -10.940 -15.915 7.745 1.00 45.12 N ATOM 301 CA GLN A 17 -10.492 -16.025 6.360 1.00 65.34 C ATOM 302 C GLN A 17 -11.632 -16.234 5.388 1.00 13.44 C ATOM 303 O GLN A 17 -11.624 -15.661 4.310 1.00 12.11 O ATOM 304 CB GLN A 17 -9.404 -17.115 6.158 1.00 30.22 C ATOM 305 CG GLN A 17 -9.831 -18.536 6.518 1.00 4.43 C ATOM 306 CD GLN A 17 -8.807 -19.588 6.122 1.00 53.31 C ATOM 307 OE1 GLN A 17 -8.855 -20.138 5.018 1.00 72.33 O ATOM 308 NE2 GLN A 17 -7.862 -19.860 6.983 1.00 45.23 N ATOM 0 H GLN A 17 -10.601 -16.660 8.354 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.037 -15.060 6.138 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -9.088 -17.101 5.115 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.533 -16.852 6.758 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -10.006 -18.595 7.592 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.779 -18.759 6.028 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -7.846 -19.391 7.888 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -7.140 -20.542 6.749 1.00 45.23 H new ATOM 317 N SER A 18 -12.614 -17.023 5.776 1.00 55.44 N ATOM 318 CA SER A 18 -13.715 -17.362 4.915 1.00 52.11 C ATOM 319 C SER A 18 -14.520 -16.115 4.529 1.00 62.21 C ATOM 320 O SER A 18 -14.762 -15.867 3.337 1.00 10.02 O ATOM 321 CB SER A 18 -14.592 -18.324 5.683 1.00 45.03 C ATOM 322 OG SER A 18 -13.783 -19.214 6.451 1.00 21.34 O ATOM 0 H SER A 18 -12.665 -17.446 6.703 1.00 55.44 H new ATOM 0 HA SER A 18 -13.348 -17.808 3.991 1.00 52.11 H new ATOM 0 HB2 SER A 18 -15.264 -17.772 6.340 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.216 -18.891 4.992 1.00 45.03 H new ATOM 0 HG SER A 18 -14.358 -19.833 6.947 1.00 21.34 H new ATOM 328 N GLU A 19 -14.872 -15.313 5.532 1.00 50.43 N ATOM 329 CA GLU A 19 -15.650 -14.110 5.320 1.00 3.23 C ATOM 330 C GLU A 19 -14.873 -13.133 4.469 1.00 41.23 C ATOM 331 O GLU A 19 -15.389 -12.611 3.486 1.00 11.14 O ATOM 332 CB GLU A 19 -16.053 -13.424 6.641 1.00 33.34 C ATOM 333 CG GLU A 19 -16.726 -14.318 7.678 1.00 42.23 C ATOM 334 CD GLU A 19 -15.743 -15.098 8.520 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.251 -16.160 8.076 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.439 -14.651 9.647 1.00 64.25 O ATOM 0 H GLU A 19 -14.624 -15.484 6.507 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.565 -14.412 4.811 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -15.160 -12.989 7.089 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.727 -12.599 6.409 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.346 -13.703 8.331 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.392 -15.015 7.170 1.00 42.23 H new ATOM 343 N LEU A 20 -13.611 -12.920 4.829 1.00 73.22 N ATOM 344 CA LEU A 20 -12.765 -12.000 4.094 1.00 10.22 C ATOM 345 C LEU A 20 -12.555 -12.424 2.672 1.00 65.33 C ATOM 346 O LEU A 20 -12.581 -11.600 1.796 1.00 30.50 O ATOM 347 CB LEU A 20 -11.426 -11.762 4.784 1.00 32.54 C ATOM 348 CG LEU A 20 -11.474 -10.898 6.036 1.00 41.02 C ATOM 349 CD1 LEU A 20 -10.096 -10.775 6.645 1.00 52.52 C ATOM 350 CD2 LEU A 20 -12.026 -9.515 5.703 1.00 23.21 C ATOM 0 H LEU A 20 -13.158 -13.372 5.623 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.305 -11.053 4.081 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.997 -12.729 5.048 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.747 -11.297 4.069 1.00 32.54 H new ATOM 0 HG LEU A 20 -12.134 -11.375 6.760 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -10.148 -10.154 7.539 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.726 -11.765 6.911 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.419 -10.317 5.924 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -12.055 -8.907 6.607 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -11.384 -9.035 4.964 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -13.034 -9.613 5.299 1.00 23.21 H new ATOM 362 N ALA A 21 -12.376 -13.706 2.440 1.00 4.44 N ATOM 363 CA ALA A 21 -12.173 -14.205 1.090 1.00 14.42 C ATOM 364 C ALA A 21 -13.340 -13.855 0.192 1.00 35.03 C ATOM 365 O ALA A 21 -13.154 -13.301 -0.890 1.00 72.55 O ATOM 366 CB ALA A 21 -11.978 -15.689 1.107 1.00 1.41 C ATOM 0 H ALA A 21 -12.366 -14.424 3.165 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.278 -13.727 0.692 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -11.827 -16.048 0.089 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.105 -15.934 1.711 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -12.860 -16.167 1.533 1.00 1.41 H new ATOM 372 N ALA A 22 -14.537 -14.133 0.657 1.00 4.14 N ATOM 373 CA ALA A 22 -15.730 -13.843 -0.105 1.00 53.23 C ATOM 374 C ALA A 22 -15.922 -12.344 -0.251 1.00 34.22 C ATOM 375 O ALA A 22 -16.247 -11.853 -1.329 1.00 30.41 O ATOM 376 CB ALA A 22 -16.935 -14.467 0.556 1.00 24.13 C ATOM 0 H ALA A 22 -14.710 -14.563 1.566 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.616 -14.271 -1.101 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -17.828 -14.241 -0.027 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -16.801 -15.547 0.611 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.048 -14.063 1.562 1.00 24.13 H new ATOM 382 N LEU A 23 -15.652 -11.624 0.817 1.00 71.12 N ATOM 383 CA LEU A 23 -15.824 -10.187 0.862 1.00 42.20 C ATOM 384 C LEU A 23 -14.825 -9.483 -0.067 1.00 63.22 C ATOM 385 O LEU A 23 -15.181 -8.529 -0.768 1.00 30.24 O ATOM 386 CB LEU A 23 -15.664 -9.707 2.304 1.00 60.54 C ATOM 387 CG LEU A 23 -15.902 -8.229 2.580 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.321 -7.830 2.191 1.00 60.14 C ATOM 389 CD2 LEU A 23 -15.652 -7.940 4.048 1.00 50.33 C ATOM 0 H LEU A 23 -15.303 -12.024 1.688 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.825 -9.936 0.510 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -16.349 -10.281 2.928 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.653 -9.952 2.631 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.210 -7.641 1.977 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.470 -6.770 2.396 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.474 -8.019 1.128 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -18.035 -8.416 2.770 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -15.823 -6.882 4.245 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -16.331 -8.536 4.657 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -14.622 -8.194 4.299 1.00 50.33 H new ATOM 401 N LEU A 24 -13.604 -9.988 -0.110 1.00 61.11 N ATOM 402 CA LEU A 24 -12.549 -9.426 -0.950 1.00 33.50 C ATOM 403 C LEU A 24 -12.629 -9.984 -2.368 1.00 13.04 C ATOM 404 O LEU A 24 -11.810 -9.629 -3.219 1.00 54.12 O ATOM 405 CB LEU A 24 -11.156 -9.743 -0.372 1.00 1.13 C ATOM 406 CG LEU A 24 -10.872 -9.299 1.066 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.475 -9.717 1.481 1.00 24.05 C ATOM 408 CD2 LEU A 24 -11.049 -7.807 1.228 1.00 43.42 C ATOM 0 H LEU A 24 -13.312 -10.799 0.435 1.00 61.11 H new ATOM 0 HA LEU A 24 -12.695 -8.346 -0.973 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.006 -10.821 -0.428 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.410 -9.283 -1.020 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.594 -9.791 1.717 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.288 -9.394 2.505 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.387 -10.802 1.420 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -8.745 -9.256 0.816 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -10.840 -7.526 2.260 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.361 -7.285 0.563 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -12.074 -7.533 0.978 1.00 43.42 H new ATOM 420 N GLU A 25 -13.604 -10.880 -2.601 1.00 45.33 N ATOM 421 CA GLU A 25 -13.856 -11.496 -3.917 1.00 22.43 C ATOM 422 C GLU A 25 -12.674 -12.358 -4.372 1.00 63.31 C ATOM 423 O GLU A 25 -12.416 -12.501 -5.580 1.00 72.53 O ATOM 424 CB GLU A 25 -14.163 -10.415 -4.955 1.00 34.10 C ATOM 425 CG GLU A 25 -15.382 -9.581 -4.630 1.00 74.02 C ATOM 426 CD GLU A 25 -15.554 -8.455 -5.591 1.00 63.23 C ATOM 427 OE1 GLU A 25 -16.192 -8.646 -6.654 1.00 73.13 O ATOM 428 OE2 GLU A 25 -15.045 -7.352 -5.323 1.00 54.24 O ATOM 0 H GLU A 25 -14.245 -11.200 -1.875 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.721 -12.151 -3.820 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.299 -9.757 -5.046 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.307 -10.888 -5.926 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.270 -10.213 -4.648 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.292 -9.185 -3.618 1.00 74.02 H new ATOM 435 N VAL A 26 -12.011 -12.984 -3.421 1.00 33.53 N ATOM 436 CA VAL A 26 -10.848 -13.802 -3.691 1.00 2.41 C ATOM 437 C VAL A 26 -11.021 -15.171 -3.048 1.00 32.32 C ATOM 438 O VAL A 26 -12.056 -15.452 -2.424 1.00 23.34 O ATOM 439 CB VAL A 26 -9.527 -13.147 -3.171 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.222 -11.859 -3.920 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.591 -12.887 -1.665 1.00 4.10 C ATOM 0 H VAL A 26 -12.266 -12.939 -2.434 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.765 -13.900 -4.773 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.718 -13.852 -3.359 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.298 -11.426 -3.537 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.109 -12.074 -4.983 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.040 -11.153 -3.778 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.658 -12.431 -1.334 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.420 -12.214 -1.447 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.741 -13.830 -1.139 1.00 4.10 H new ATOM 451 N SER A 27 -10.053 -16.020 -3.223 1.00 35.42 N ATOM 452 CA SER A 27 -10.084 -17.318 -2.629 1.00 0.14 C ATOM 453 C SER A 27 -9.597 -17.250 -1.174 1.00 54.44 C ATOM 454 O SER A 27 -8.847 -16.334 -0.799 1.00 24.14 O ATOM 455 CB SER A 27 -9.243 -18.266 -3.474 1.00 23.34 C ATOM 456 OG SER A 27 -9.725 -18.270 -4.818 1.00 1.11 O ATOM 0 H SER A 27 -9.221 -15.830 -3.782 1.00 35.42 H new ATOM 0 HA SER A 27 -11.105 -17.697 -2.602 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.198 -17.957 -3.453 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.286 -19.273 -3.059 1.00 23.34 H new ATOM 0 HG SER A 27 -9.181 -18.879 -5.359 1.00 1.11 H new ATOM 462 N ARG A 28 -10.044 -18.189 -0.355 1.00 33.45 N ATOM 463 CA ARG A 28 -9.670 -18.258 1.058 1.00 2.32 C ATOM 464 C ARG A 28 -8.174 -18.463 1.193 1.00 72.10 C ATOM 465 O ARG A 28 -7.546 -17.973 2.126 1.00 61.25 O ATOM 466 CB ARG A 28 -10.479 -19.340 1.791 1.00 73.14 C ATOM 467 CG ARG A 28 -11.980 -19.081 1.712 1.00 54.32 C ATOM 468 CD ARG A 28 -12.814 -20.098 2.465 1.00 53.33 C ATOM 469 NE ARG A 28 -12.604 -21.466 1.993 1.00 21.14 N ATOM 470 CZ ARG A 28 -13.365 -22.103 1.085 1.00 13.43 C ATOM 471 NH1 ARG A 28 -14.283 -21.433 0.368 1.00 20.31 N ATOM 472 NH2 ARG A 28 -13.187 -23.398 0.888 1.00 44.34 N ATOM 0 H ARG A 28 -10.680 -18.931 -0.649 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.915 -17.310 1.536 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -10.256 -20.315 1.358 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -10.172 -19.377 2.836 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -12.190 -18.087 2.108 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -12.285 -19.078 0.665 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -12.573 -20.044 3.527 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -13.869 -19.842 2.364 1.00 53.33 H new ATOM 0 HE ARG A 28 -11.815 -21.980 2.385 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -14.408 -20.431 0.509 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -14.854 -21.927 -0.318 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -12.479 -23.902 1.422 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -13.758 -23.893 0.202 1.00 44.34 H new ATOM 486 N GLN A 29 -7.614 -19.142 0.209 1.00 63.51 N ATOM 487 CA GLN A 29 -6.180 -19.352 0.088 1.00 73.10 C ATOM 488 C GLN A 29 -5.442 -18.012 -0.001 1.00 21.43 C ATOM 489 O GLN A 29 -4.356 -17.857 0.551 1.00 63.01 O ATOM 490 CB GLN A 29 -5.920 -20.242 -1.161 1.00 14.11 C ATOM 491 CG GLN A 29 -4.458 -20.443 -1.607 1.00 34.33 C ATOM 492 CD GLN A 29 -3.862 -19.244 -2.354 1.00 13.43 C ATOM 493 OE1 GLN A 29 -4.582 -18.483 -3.026 1.00 35.21 O ATOM 494 NE2 GLN A 29 -2.572 -19.079 -2.269 1.00 24.53 N ATOM 0 H GLN A 29 -8.152 -19.572 -0.544 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.796 -19.860 0.973 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.350 -21.225 -0.967 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -6.470 -19.813 -1.999 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.847 -20.651 -0.729 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -4.403 -21.322 -2.249 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -2.011 -19.721 -1.709 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -2.123 -18.307 -2.762 1.00 24.53 H new ATOM 503 N THR A 30 -6.053 -17.056 -0.663 1.00 21.22 N ATOM 504 CA THR A 30 -5.451 -15.773 -0.901 1.00 0.23 C ATOM 505 C THR A 30 -5.318 -14.971 0.405 1.00 24.14 C ATOM 506 O THR A 30 -4.226 -14.515 0.747 1.00 5.35 O ATOM 507 CB THR A 30 -6.291 -15.007 -1.934 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.475 -15.850 -3.090 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.615 -13.710 -2.350 1.00 50.43 C ATOM 0 H THR A 30 -6.990 -17.153 -1.053 1.00 21.22 H new ATOM 0 HA THR A 30 -4.444 -15.919 -1.293 1.00 0.23 H new ATOM 0 HB THR A 30 -7.251 -14.751 -1.487 1.00 71.41 H new ATOM 0 HG1 THR A 30 -5.827 -16.585 -3.065 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.237 -13.194 -3.082 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.479 -13.074 -1.476 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.643 -13.931 -2.792 1.00 50.43 H new ATOM 517 N ILE A 31 -6.408 -14.849 1.152 1.00 3.24 N ATOM 518 CA ILE A 31 -6.383 -14.107 2.412 1.00 15.23 C ATOM 519 C ILE A 31 -5.550 -14.858 3.467 1.00 54.43 C ATOM 520 O ILE A 31 -4.835 -14.244 4.268 1.00 12.25 O ATOM 521 CB ILE A 31 -7.828 -13.779 2.934 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.800 -13.009 4.268 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.681 -15.026 3.051 1.00 12.10 C ATOM 524 CD1 ILE A 31 -7.140 -11.645 4.184 1.00 15.23 C ATOM 0 H ILE A 31 -7.315 -15.250 0.912 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.900 -13.148 2.222 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.286 -13.130 2.188 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.823 -12.884 4.624 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -7.275 -13.610 5.011 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.672 -14.756 3.415 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.770 -15.499 2.073 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -8.215 -15.721 3.749 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -7.162 -11.169 5.164 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -6.106 -11.761 3.860 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.678 -11.024 3.468 1.00 15.23 H new ATOM 536 N ASN A 32 -5.609 -16.178 3.421 1.00 30.33 N ATOM 537 CA ASN A 32 -4.821 -17.023 4.312 1.00 60.42 C ATOM 538 C ASN A 32 -3.333 -16.850 3.984 1.00 3.24 C ATOM 539 O ASN A 32 -2.475 -16.841 4.865 1.00 13.11 O ATOM 540 CB ASN A 32 -5.224 -18.488 4.147 1.00 64.50 C ATOM 541 CG ASN A 32 -4.606 -19.406 5.185 1.00 24.43 C ATOM 542 OD1 ASN A 32 -4.259 -20.545 4.880 1.00 33.15 O ATOM 543 ND2 ASN A 32 -4.554 -18.973 6.416 1.00 74.02 N ATOM 0 H ASN A 32 -6.200 -16.695 2.770 1.00 30.33 H new ATOM 0 HA ASN A 32 -5.005 -16.728 5.345 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -6.310 -18.567 4.204 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.932 -18.827 3.153 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -4.218 -19.586 7.159 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -4.850 -18.022 6.635 1.00 74.02 H new ATOM 550 N GLY A 33 -3.053 -16.706 2.697 1.00 32.15 N ATOM 551 CA GLY A 33 -1.712 -16.470 2.216 1.00 62.40 C ATOM 552 C GLY A 33 -1.163 -15.154 2.717 1.00 51.22 C ATOM 553 O GLY A 33 0.054 -15.011 2.902 1.00 73.51 O ATOM 0 H GLY A 33 -3.756 -16.751 1.960 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -1.061 -17.283 2.539 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.710 -16.474 1.126 1.00 62.40 H new ATOM 557 N ILE A 34 -2.046 -14.183 2.894 1.00 55.13 N ATOM 558 CA ILE A 34 -1.684 -12.892 3.453 1.00 14.23 C ATOM 559 C ILE A 34 -1.388 -13.027 4.953 1.00 12.31 C ATOM 560 O ILE A 34 -0.467 -12.398 5.454 1.00 62.21 O ATOM 561 CB ILE A 34 -2.786 -11.812 3.212 1.00 13.40 C ATOM 562 CG1 ILE A 34 -3.042 -11.622 1.714 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.385 -10.477 3.835 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.849 -11.080 0.948 1.00 51.13 C ATOM 0 H ILE A 34 -3.034 -14.269 2.654 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.785 -12.556 2.936 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.702 -12.163 3.687 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.334 -12.579 1.282 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.884 -10.942 1.583 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.168 -9.741 3.654 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.247 -10.603 4.909 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.453 -10.132 3.388 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.110 -10.974 -0.105 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.569 -10.107 1.352 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -1.010 -11.769 1.046 1.00 51.13 H new ATOM 576 N GLU A 35 -2.140 -13.893 5.654 1.00 42.35 N ATOM 577 CA GLU A 35 -1.919 -14.127 7.103 1.00 14.13 C ATOM 578 C GLU A 35 -0.502 -14.595 7.376 1.00 62.12 C ATOM 579 O GLU A 35 0.120 -14.187 8.360 1.00 33.44 O ATOM 580 CB GLU A 35 -2.836 -15.227 7.634 1.00 72.22 C ATOM 581 CG GLU A 35 -4.313 -14.949 7.598 1.00 22.14 C ATOM 582 CD GLU A 35 -5.096 -16.129 8.125 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.924 -16.499 9.297 1.00 12.42 O ATOM 584 OE2 GLU A 35 -5.928 -16.696 7.384 1.00 14.03 O ATOM 0 H GLU A 35 -2.900 -14.441 5.251 1.00 42.35 H new ATOM 0 HA GLU A 35 -2.121 -13.175 7.593 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.646 -16.135 7.061 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.554 -15.437 8.666 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.535 -14.064 8.194 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.621 -14.730 6.576 1.00 22.14 H new ATOM 591 N LYS A 36 0.025 -15.397 6.486 1.00 72.42 N ATOM 592 CA LYS A 36 1.362 -15.918 6.655 1.00 3.42 C ATOM 593 C LYS A 36 2.344 -15.162 5.786 1.00 64.33 C ATOM 594 O LYS A 36 3.509 -15.551 5.679 1.00 74.05 O ATOM 595 CB LYS A 36 1.407 -17.419 6.331 1.00 71.34 C ATOM 596 CG LYS A 36 0.503 -18.283 7.213 1.00 73.40 C ATOM 597 CD LYS A 36 0.847 -18.163 8.701 1.00 3.32 C ATOM 598 CE LYS A 36 2.261 -18.647 9.008 1.00 11.20 C ATOM 599 NZ LYS A 36 2.579 -18.528 10.442 1.00 30.21 N ATOM 0 H LYS A 36 -0.449 -15.705 5.637 1.00 72.42 H new ATOM 0 HA LYS A 36 1.648 -15.783 7.698 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.122 -17.562 5.289 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.434 -17.769 6.431 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.536 -17.991 7.059 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.590 -19.325 6.906 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.745 -17.123 9.013 1.00 3.32 H new ATOM 0 HD3 LYS A 36 0.132 -18.742 9.285 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.365 -19.687 8.697 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.978 -18.067 8.427 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 3.548 -18.866 10.612 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 2.504 -17.532 10.733 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 1.910 -19.101 10.995 1.00 30.21 H new ATOM 613 N ASN A 37 1.851 -14.068 5.166 1.00 21.34 N ATOM 614 CA ASN A 37 2.619 -13.177 4.249 1.00 41.10 C ATOM 615 C ASN A 37 3.448 -13.963 3.243 1.00 30.41 C ATOM 616 O ASN A 37 4.545 -13.576 2.861 1.00 2.25 O ATOM 617 CB ASN A 37 3.450 -12.085 4.999 1.00 42.23 C ATOM 618 CG ASN A 37 4.494 -12.609 5.970 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.190 -12.871 7.138 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.718 -12.715 5.530 1.00 15.22 N ATOM 0 H ASN A 37 0.884 -13.767 5.288 1.00 21.34 H new ATOM 0 HA ASN A 37 1.875 -12.626 3.674 1.00 41.10 H new ATOM 0 HB2 ASN A 37 3.949 -11.461 4.258 1.00 42.23 H new ATOM 0 HB3 ASN A 37 2.761 -11.441 5.546 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.461 -13.023 6.158 1.00 15.22 H new ATOM 0 HD22 ASN A 37 5.932 -12.490 4.558 1.00 15.22 H new ATOM 627 N LYS A 38 2.837 -15.006 2.724 1.00 23.05 N ATOM 628 CA LYS A 38 3.476 -15.916 1.804 1.00 71.21 C ATOM 629 C LYS A 38 3.168 -15.426 0.414 1.00 63.12 C ATOM 630 O LYS A 38 3.975 -15.519 -0.508 1.00 54.40 O ATOM 631 CB LYS A 38 2.869 -17.305 2.005 1.00 54.41 C ATOM 632 CG LYS A 38 3.396 -18.391 1.077 1.00 51.33 C ATOM 633 CD LYS A 38 2.572 -19.663 1.220 1.00 14.11 C ATOM 634 CE LYS A 38 1.120 -19.418 0.823 1.00 53.22 C ATOM 635 NZ LYS A 38 0.275 -20.598 1.031 1.00 30.43 N ATOM 0 H LYS A 38 1.868 -15.247 2.934 1.00 23.05 H new ATOM 0 HA LYS A 38 4.553 -15.965 1.963 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.046 -17.614 3.035 1.00 54.41 H new ATOM 0 HB3 LYS A 38 1.789 -17.233 1.875 1.00 54.41 H new ATOM 0 HG2 LYS A 38 3.362 -18.043 0.045 1.00 51.33 H new ATOM 0 HG3 LYS A 38 4.440 -18.600 1.309 1.00 51.33 H new ATOM 0 HD2 LYS A 38 2.997 -20.448 0.595 1.00 14.11 H new ATOM 0 HD3 LYS A 38 2.617 -20.016 2.250 1.00 14.11 H new ATOM 0 HE2 LYS A 38 0.724 -18.584 1.403 1.00 53.22 H new ATOM 0 HE3 LYS A 38 1.078 -19.125 -0.226 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 -0.701 -20.380 0.746 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 0.635 -21.388 0.458 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 0.291 -20.864 2.036 1.00 30.43 H new ATOM 649 N TYR A 39 1.998 -14.838 0.319 1.00 74.05 N ATOM 650 CA TYR A 39 1.438 -14.327 -0.905 1.00 12.53 C ATOM 651 C TYR A 39 2.208 -13.103 -1.400 1.00 13.41 C ATOM 652 O TYR A 39 2.187 -12.803 -2.600 1.00 2.12 O ATOM 653 CB TYR A 39 -0.018 -13.939 -0.608 1.00 73.50 C ATOM 654 CG TYR A 39 -0.837 -13.490 -1.791 1.00 32.23 C ATOM 655 CD1 TYR A 39 -1.531 -14.407 -2.528 1.00 62.14 C ATOM 656 CD2 TYR A 39 -0.924 -12.147 -2.151 1.00 33.20 C ATOM 657 CE1 TYR A 39 -2.303 -14.017 -3.611 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.683 -11.742 -3.221 1.00 1.32 C ATOM 659 CZ TYR A 39 -2.373 -12.675 -3.950 1.00 33.11 C ATOM 660 OH TYR A 39 -3.134 -12.267 -5.036 1.00 24.32 O ATOM 0 H TYR A 39 1.389 -14.698 1.125 1.00 74.05 H new ATOM 0 HA TYR A 39 1.498 -15.085 -1.686 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.515 -14.795 -0.151 1.00 73.50 H new ATOM 0 HB3 TYR A 39 -0.016 -13.139 0.132 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -1.477 -15.453 -2.263 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -0.383 -11.409 -1.577 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -2.846 -14.753 -4.186 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -1.736 -10.696 -3.486 1.00 1.32 H new ATOM 0 HH TYR A 39 -3.073 -11.294 -5.131 1.00 24.32 H new ATOM 670 N ASN A 40 2.909 -12.428 -0.467 1.00 43.42 N ATOM 671 CA ASN A 40 3.574 -11.132 -0.719 1.00 41.25 C ATOM 672 C ASN A 40 2.524 -10.032 -0.863 1.00 40.41 C ATOM 673 O ASN A 40 1.587 -10.155 -1.655 1.00 21.44 O ATOM 674 CB ASN A 40 4.563 -11.166 -1.920 1.00 44.44 C ATOM 675 CG ASN A 40 5.064 -9.785 -2.352 1.00 2.30 C ATOM 676 OD1 ASN A 40 6.052 -9.262 -1.819 1.00 64.13 O ATOM 677 ND2 ASN A 40 4.411 -9.209 -3.331 1.00 53.45 N ATOM 0 H ASN A 40 3.031 -12.767 0.487 1.00 43.42 H new ATOM 0 HA ASN A 40 4.198 -10.910 0.147 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.420 -11.786 -1.655 1.00 44.44 H new ATOM 0 HB3 ASN A 40 4.073 -11.645 -2.768 1.00 44.44 H new ATOM 0 HD21 ASN A 40 4.712 -8.299 -3.679 1.00 53.45 H new ATOM 0 HD22 ASN A 40 3.601 -9.671 -3.745 1.00 53.45 H new ATOM 684 N PRO A 41 2.636 -8.970 -0.063 1.00 2.41 N ATOM 685 CA PRO A 41 1.652 -7.897 -0.037 1.00 33.40 C ATOM 686 C PRO A 41 1.548 -7.091 -1.339 1.00 61.13 C ATOM 687 O PRO A 41 2.310 -6.143 -1.579 1.00 2.50 O ATOM 688 CB PRO A 41 2.093 -6.996 1.132 1.00 23.24 C ATOM 689 CG PRO A 41 3.092 -7.804 1.892 1.00 52.51 C ATOM 690 CD PRO A 41 3.730 -8.717 0.889 1.00 12.41 C ATOM 0 HA PRO A 41 0.652 -8.314 0.083 1.00 33.40 H new ATOM 0 HB2 PRO A 41 2.532 -6.067 0.769 1.00 23.24 H new ATOM 0 HB3 PRO A 41 1.246 -6.724 1.761 1.00 23.24 H new ATOM 0 HG2 PRO A 41 3.836 -7.162 2.364 1.00 52.51 H new ATOM 0 HG3 PRO A 41 2.611 -8.373 2.687 1.00 52.51 H new ATOM 0 HD2 PRO A 41 4.588 -8.250 0.405 1.00 12.41 H new ATOM 0 HD3 PRO A 41 4.087 -9.638 1.350 1.00 12.41 H new ATOM 698 N SER A 42 0.675 -7.531 -2.201 1.00 32.11 N ATOM 699 CA SER A 42 0.301 -6.779 -3.351 1.00 31.54 C ATOM 700 C SER A 42 -0.620 -5.676 -2.855 1.00 35.33 C ATOM 701 O SER A 42 -1.498 -5.938 -2.012 1.00 31.14 O ATOM 702 CB SER A 42 -0.407 -7.690 -4.334 1.00 33.24 C ATOM 703 OG SER A 42 0.427 -8.782 -4.704 1.00 63.24 O ATOM 0 H SER A 42 0.202 -8.431 -2.118 1.00 32.11 H new ATOM 0 HA SER A 42 1.161 -6.351 -3.866 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.329 -8.065 -3.890 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.689 -7.125 -5.222 1.00 33.24 H new ATOM 0 HG SER A 42 -0.050 -9.358 -5.337 1.00 63.24 H new ATOM 709 N LEU A 43 -0.445 -4.467 -3.349 1.00 41.22 N ATOM 710 CA LEU A 43 -1.121 -3.333 -2.768 1.00 3.42 C ATOM 711 C LEU A 43 -2.632 -3.385 -2.959 1.00 71.35 C ATOM 712 O LEU A 43 -3.343 -3.124 -2.022 1.00 31.14 O ATOM 713 CB LEU A 43 -0.472 -1.985 -3.204 1.00 34.44 C ATOM 714 CG LEU A 43 -0.874 -0.686 -2.431 1.00 23.40 C ATOM 715 CD1 LEU A 43 -2.246 -0.158 -2.845 1.00 22.03 C ATOM 716 CD2 LEU A 43 -0.830 -0.926 -0.914 1.00 44.53 C ATOM 0 H LEU A 43 0.155 -4.249 -4.145 1.00 41.22 H new ATOM 0 HA LEU A 43 -0.979 -3.393 -1.689 1.00 3.42 H new ATOM 0 HB2 LEU A 43 0.610 -2.096 -3.128 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -0.703 -1.830 -4.258 1.00 34.44 H new ATOM 0 HG LEU A 43 -0.143 0.078 -2.696 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -2.475 0.744 -2.278 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -2.240 0.075 -3.910 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.003 -0.915 -2.643 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -1.113 -0.011 -0.393 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -1.526 -1.723 -0.651 1.00 44.53 H new ATOM 0 HD23 LEU A 43 0.179 -1.214 -0.620 1.00 44.53 H new ATOM 728 N GLN A 44 -3.130 -3.775 -4.130 1.00 2.30 N ATOM 729 CA GLN A 44 -4.589 -3.806 -4.353 1.00 25.44 C ATOM 730 C GLN A 44 -5.289 -4.791 -3.396 1.00 14.52 C ATOM 731 O GLN A 44 -6.404 -4.533 -2.908 1.00 12.34 O ATOM 732 CB GLN A 44 -4.919 -4.179 -5.804 1.00 43.20 C ATOM 733 CG GLN A 44 -4.336 -3.251 -6.859 1.00 23.12 C ATOM 734 CD GLN A 44 -4.771 -1.813 -6.685 1.00 1.11 C ATOM 735 OE1 GLN A 44 -4.103 -1.033 -6.014 1.00 21.35 O ATOM 736 NE2 GLN A 44 -5.873 -1.454 -7.283 1.00 45.30 N ATOM 0 H GLN A 44 -2.567 -4.069 -4.928 1.00 2.30 H new ATOM 0 HA GLN A 44 -4.961 -2.802 -4.150 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.559 -5.190 -5.993 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -6.003 -4.200 -5.920 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -3.248 -3.303 -6.820 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -4.636 -3.599 -7.847 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -6.400 -2.133 -7.832 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -6.208 -0.494 -7.202 1.00 45.30 H new ATOM 745 N LEU A 45 -4.661 -5.925 -3.173 1.00 33.52 N ATOM 746 CA LEU A 45 -5.163 -6.931 -2.246 1.00 33.42 C ATOM 747 C LEU A 45 -5.115 -6.365 -0.811 1.00 12.12 C ATOM 748 O LEU A 45 -6.086 -6.449 -0.071 1.00 53.21 O ATOM 749 CB LEU A 45 -4.319 -8.228 -2.382 1.00 75.22 C ATOM 750 CG LEU A 45 -4.964 -9.574 -1.951 1.00 12.11 C ATOM 751 CD1 LEU A 45 -5.263 -9.637 -0.465 1.00 72.44 C ATOM 752 CD2 LEU A 45 -6.226 -9.839 -2.756 1.00 1.23 C ATOM 0 H LEU A 45 -3.785 -6.182 -3.628 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.198 -7.181 -2.478 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -4.019 -8.322 -3.426 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -3.407 -8.094 -1.799 1.00 75.22 H new ATOM 0 HG LEU A 45 -4.231 -10.353 -2.158 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -5.712 -10.601 -0.225 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -4.337 -9.518 0.098 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -5.955 -8.838 -0.199 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -6.666 -10.786 -2.442 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -6.941 -9.033 -2.588 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -5.978 -9.888 -3.816 1.00 1.23 H new ATOM 764 N ALA A 46 -4.009 -5.730 -0.476 1.00 72.35 N ATOM 765 CA ALA A 46 -3.810 -5.123 0.849 1.00 41.10 C ATOM 766 C ALA A 46 -4.825 -3.995 1.090 1.00 44.34 C ATOM 767 O ALA A 46 -5.370 -3.841 2.181 1.00 24.52 O ATOM 768 CB ALA A 46 -2.383 -4.602 0.989 1.00 4.33 C ATOM 0 H ALA A 46 -3.216 -5.614 -1.107 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.972 -5.891 1.605 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.254 -4.156 1.975 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.681 -5.427 0.869 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.193 -3.850 0.223 1.00 4.33 H new ATOM 774 N LEU A 47 -5.079 -3.253 0.038 1.00 33.43 N ATOM 775 CA LEU A 47 -5.957 -2.094 0.013 1.00 23.45 C ATOM 776 C LEU A 47 -7.380 -2.488 0.390 1.00 50.21 C ATOM 777 O LEU A 47 -8.023 -1.828 1.208 1.00 21.23 O ATOM 778 CB LEU A 47 -5.889 -1.564 -1.440 1.00 32.41 C ATOM 779 CG LEU A 47 -6.674 -0.329 -1.880 1.00 61.44 C ATOM 780 CD1 LEU A 47 -6.126 0.098 -3.221 1.00 11.43 C ATOM 781 CD2 LEU A 47 -8.171 -0.616 -2.044 1.00 70.53 C ATOM 0 H LEU A 47 -4.661 -3.446 -0.872 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.652 -1.333 0.732 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -4.839 -1.364 -1.655 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.197 -2.383 -2.090 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.566 0.441 -1.116 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -6.663 0.980 -3.569 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -5.066 0.334 -3.123 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -6.252 -0.711 -3.940 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -8.684 0.293 -2.358 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -8.313 -1.391 -2.798 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -8.583 -0.955 -1.093 1.00 70.53 H new ATOM 793 N LYS A 48 -7.867 -3.566 -0.188 1.00 52.33 N ATOM 794 CA LYS A 48 -9.211 -4.008 0.105 1.00 54.10 C ATOM 795 C LYS A 48 -9.329 -4.532 1.529 1.00 25.41 C ATOM 796 O LYS A 48 -10.339 -4.312 2.194 1.00 42.33 O ATOM 797 CB LYS A 48 -9.766 -4.972 -0.960 1.00 63.32 C ATOM 798 CG LYS A 48 -8.887 -6.168 -1.292 1.00 23.52 C ATOM 799 CD LYS A 48 -9.506 -7.025 -2.388 1.00 64.34 C ATOM 800 CE LYS A 48 -9.718 -6.233 -3.675 1.00 3.10 C ATOM 801 NZ LYS A 48 -8.450 -5.826 -4.320 1.00 33.32 N ATOM 0 H LYS A 48 -7.358 -4.145 -0.856 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.859 -3.133 0.051 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.734 -5.340 -0.621 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.942 -4.409 -1.876 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.904 -5.822 -1.610 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.738 -6.772 -0.397 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.860 -7.880 -2.589 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.461 -7.421 -2.044 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.298 -6.835 -4.374 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -10.309 -5.344 -3.455 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -8.657 -5.235 -5.150 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -7.875 -5.284 -3.644 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -7.926 -6.673 -4.620 1.00 33.32 H new ATOM 815 N ILE A 49 -8.271 -5.178 2.006 1.00 54.11 N ATOM 816 CA ILE A 49 -8.218 -5.647 3.388 1.00 1.24 C ATOM 817 C ILE A 49 -8.311 -4.444 4.331 1.00 2.41 C ATOM 818 O ILE A 49 -9.101 -4.442 5.283 1.00 64.12 O ATOM 819 CB ILE A 49 -6.897 -6.412 3.687 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.755 -7.634 2.779 1.00 62.35 C ATOM 821 CG2 ILE A 49 -6.838 -6.827 5.151 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.452 -8.389 2.962 1.00 35.31 C ATOM 0 H ILE A 49 -7.438 -5.389 1.457 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.053 -6.330 3.542 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.064 -5.739 3.484 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.586 -8.313 2.968 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.835 -7.314 1.740 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -5.907 -7.361 5.341 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -6.883 -5.940 5.783 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -7.682 -7.478 5.379 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.427 -9.241 2.283 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.614 -7.727 2.744 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.377 -8.742 3.991 1.00 35.31 H new ATOM 834 N ALA A 50 -7.553 -3.406 3.995 1.00 44.20 N ATOM 835 CA ALA A 50 -7.485 -2.177 4.770 1.00 11.21 C ATOM 836 C ALA A 50 -8.848 -1.539 4.884 1.00 70.10 C ATOM 837 O ALA A 50 -9.253 -1.110 5.955 1.00 34.45 O ATOM 838 CB ALA A 50 -6.537 -1.201 4.111 1.00 53.40 C ATOM 0 H ALA A 50 -6.961 -3.397 3.164 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.124 -2.427 5.768 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.493 -0.284 4.698 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.542 -1.643 4.053 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.892 -0.971 3.106 1.00 53.40 H new ATOM 844 N TYR A 51 -9.547 -1.483 3.772 1.00 50.04 N ATOM 845 CA TYR A 51 -10.861 -0.899 3.724 1.00 11.22 C ATOM 846 C TYR A 51 -11.925 -1.749 4.454 1.00 40.54 C ATOM 847 O TYR A 51 -12.636 -1.242 5.317 1.00 51.22 O ATOM 848 CB TYR A 51 -11.272 -0.608 2.267 1.00 31.54 C ATOM 849 CG TYR A 51 -12.730 -0.262 2.115 1.00 42.44 C ATOM 850 CD1 TYR A 51 -13.235 0.966 2.520 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.607 -1.196 1.610 1.00 52.31 C ATOM 852 CE1 TYR A 51 -14.582 1.247 2.415 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.954 -0.931 1.510 1.00 14.05 C ATOM 854 CZ TYR A 51 -15.437 0.289 1.910 1.00 45.04 C ATOM 855 OH TYR A 51 -16.787 0.545 1.831 1.00 12.24 O ATOM 0 H TYR A 51 -9.216 -1.843 2.877 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.809 0.046 4.265 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.669 0.216 1.885 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -11.047 -1.480 1.653 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -12.565 1.711 2.923 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.231 -2.155 1.286 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -14.964 2.208 2.725 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.627 -1.680 1.119 1.00 14.05 H new ATOM 0 HH TYR A 51 -17.246 -0.233 1.451 1.00 12.24 H new ATOM 865 N TYR A 52 -12.013 -3.035 4.132 1.00 52.41 N ATOM 866 CA TYR A 52 -13.069 -3.878 4.704 1.00 3.45 C ATOM 867 C TYR A 52 -12.886 -4.151 6.192 1.00 25.43 C ATOM 868 O TYR A 52 -13.869 -4.257 6.938 1.00 40.30 O ATOM 869 CB TYR A 52 -13.286 -5.166 3.907 1.00 51.32 C ATOM 870 CG TYR A 52 -13.893 -4.942 2.530 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.231 -4.592 2.390 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.139 -5.094 1.381 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.792 -4.402 1.142 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.686 -4.904 0.132 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.012 -4.556 0.016 1.00 75.33 C ATOM 876 OH TYR A 52 -15.566 -4.374 -1.236 1.00 10.50 O ATOM 0 H TYR A 52 -11.381 -3.514 3.491 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.984 -3.293 4.618 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.330 -5.677 3.793 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -13.937 -5.829 4.477 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.842 -4.467 3.272 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.098 -5.368 1.465 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.834 -4.135 1.049 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.078 -5.027 -0.752 1.00 0.00 H new ATOM 0 HH TYR A 52 -14.881 -4.519 -1.921 1.00 10.50 H new ATOM 886 N LEU A 53 -11.650 -4.250 6.629 1.00 43.52 N ATOM 887 CA LEU A 53 -11.372 -4.405 8.057 1.00 35.04 C ATOM 888 C LEU A 53 -11.334 -3.045 8.723 1.00 52.42 C ATOM 889 O LEU A 53 -11.374 -2.943 9.959 1.00 34.31 O ATOM 890 CB LEU A 53 -10.059 -5.160 8.316 1.00 34.25 C ATOM 891 CG LEU A 53 -10.042 -6.642 7.941 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.676 -7.234 8.225 1.00 73.24 C ATOM 893 CD2 LEU A 53 -11.107 -7.398 8.721 1.00 30.33 C ATOM 0 H LEU A 53 -10.824 -4.227 6.031 1.00 43.52 H new ATOM 0 HA LEU A 53 -12.176 -5.003 8.486 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.263 -4.659 7.766 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.818 -5.073 9.375 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.256 -6.734 6.876 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.674 -8.290 7.955 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.922 -6.708 7.639 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.448 -7.131 9.286 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -11.082 -8.452 8.443 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.914 -7.300 9.789 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -12.089 -6.985 8.490 1.00 30.33 H new ATOM 904 N ASN A 54 -11.322 -2.018 7.878 1.00 23.44 N ATOM 905 CA ASN A 54 -11.208 -0.609 8.242 1.00 34.54 C ATOM 906 C ASN A 54 -10.095 -0.396 9.236 1.00 23.31 C ATOM 907 O ASN A 54 -10.313 -0.277 10.450 1.00 53.04 O ATOM 908 CB ASN A 54 -12.530 0.006 8.711 1.00 0.13 C ATOM 909 CG ASN A 54 -12.420 1.508 8.933 1.00 2.32 C ATOM 910 OD1 ASN A 54 -12.090 1.968 10.022 1.00 41.33 O ATOM 911 ND2 ASN A 54 -12.690 2.283 7.908 1.00 61.11 N ATOM 0 H ASN A 54 -11.395 -2.153 6.870 1.00 23.44 H new ATOM 0 HA ASN A 54 -10.950 -0.071 7.330 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.304 -0.194 7.971 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.843 -0.474 9.638 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -12.628 3.297 8.005 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -12.962 1.871 7.015 1.00 61.11 H new ATOM 918 N THR A 55 -8.907 -0.487 8.743 1.00 45.02 N ATOM 919 CA THR A 55 -7.723 -0.343 9.532 1.00 24.13 C ATOM 920 C THR A 55 -6.603 0.181 8.620 1.00 75.14 C ATOM 921 O THR A 55 -6.508 -0.235 7.462 1.00 45.22 O ATOM 922 CB THR A 55 -7.333 -1.724 10.171 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.432 -2.211 10.975 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.107 -1.607 11.059 1.00 53.13 C ATOM 0 H THR A 55 -8.724 -0.668 7.756 1.00 45.02 H new ATOM 0 HA THR A 55 -7.888 0.362 10.347 1.00 24.13 H new ATOM 0 HB THR A 55 -7.110 -2.412 9.356 1.00 33.24 H new ATOM 0 HG1 THR A 55 -8.083 -2.754 11.712 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.870 -2.583 11.482 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.262 -1.252 10.468 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.308 -0.901 11.865 1.00 53.13 H new ATOM 932 N PRO A 56 -5.819 1.164 9.089 1.00 2.53 N ATOM 933 CA PRO A 56 -4.690 1.710 8.334 1.00 62.14 C ATOM 934 C PRO A 56 -3.669 0.635 7.980 1.00 22.43 C ATOM 935 O PRO A 56 -3.372 -0.246 8.804 1.00 73.34 O ATOM 936 CB PRO A 56 -4.060 2.724 9.304 1.00 52.13 C ATOM 937 CG PRO A 56 -4.628 2.400 10.640 1.00 3.21 C ATOM 938 CD PRO A 56 -5.986 1.846 10.381 1.00 22.03 C ATOM 0 HA PRO A 56 -5.009 2.144 7.387 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -2.973 2.640 9.309 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -4.300 3.747 9.013 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -4.004 1.676 11.165 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -4.682 3.289 11.268 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -6.298 1.156 11.165 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.740 2.631 10.329 1.00 22.03 H new ATOM 946 N LEU A 57 -3.124 0.715 6.771 1.00 62.42 N ATOM 947 CA LEU A 57 -2.112 -0.234 6.295 1.00 13.13 C ATOM 948 C LEU A 57 -0.934 -0.317 7.246 1.00 71.12 C ATOM 949 O LEU A 57 -0.409 -1.391 7.482 1.00 53.41 O ATOM 950 CB LEU A 57 -1.618 0.141 4.898 1.00 34.12 C ATOM 951 CG LEU A 57 -2.613 -0.032 3.758 1.00 42.20 C ATOM 952 CD1 LEU A 57 -2.056 0.562 2.480 1.00 13.21 C ATOM 953 CD2 LEU A 57 -2.956 -1.502 3.568 1.00 35.04 C ATOM 0 H LEU A 57 -3.367 1.436 6.092 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.591 -1.212 6.251 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.298 1.183 4.917 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -0.736 -0.459 4.675 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.530 0.499 4.011 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -2.777 0.431 1.673 1.00 13.21 H new ATOM 0 HD12 LEU A 57 -1.864 1.625 2.626 1.00 13.21 H new ATOM 0 HD13 LEU A 57 -1.125 0.058 2.220 1.00 13.21 H new ATOM 0 HD21 LEU A 57 -3.668 -1.607 2.749 1.00 35.04 H new ATOM 0 HD22 LEU A 57 -2.049 -2.060 3.334 1.00 35.04 H new ATOM 0 HD23 LEU A 57 -3.397 -1.894 4.485 1.00 35.04 H new ATOM 964 N GLU A 58 -0.558 0.826 7.803 1.00 41.15 N ATOM 965 CA GLU A 58 0.540 0.933 8.768 1.00 25.13 C ATOM 966 C GLU A 58 0.294 0.064 10.013 1.00 23.31 C ATOM 967 O GLU A 58 1.225 -0.458 10.604 1.00 41.22 O ATOM 968 CB GLU A 58 0.695 2.400 9.179 1.00 25.40 C ATOM 969 CG GLU A 58 1.038 3.324 8.018 1.00 63.30 C ATOM 970 CD GLU A 58 0.899 4.783 8.364 1.00 34.03 C ATOM 971 OE1 GLU A 58 -0.232 5.321 8.263 1.00 71.30 O ATOM 972 OE2 GLU A 58 1.893 5.439 8.716 1.00 53.22 O ATOM 0 H GLU A 58 -1.009 1.718 7.599 1.00 41.15 H new ATOM 0 HA GLU A 58 1.453 0.572 8.294 1.00 25.13 H new ATOM 0 HB2 GLU A 58 -0.232 2.739 9.641 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.475 2.476 9.936 1.00 25.40 H new ATOM 0 HG2 GLU A 58 2.061 3.129 7.696 1.00 63.30 H new ATOM 0 HG3 GLU A 58 0.388 3.093 7.174 1.00 63.30 H new ATOM 979 N ASP A 59 -0.964 -0.060 10.412 1.00 34.01 N ATOM 980 CA ASP A 59 -1.338 -0.872 11.580 1.00 63.41 C ATOM 981 C ASP A 59 -1.195 -2.356 11.231 1.00 42.14 C ATOM 982 O ASP A 59 -0.639 -3.147 12.002 1.00 72.41 O ATOM 983 CB ASP A 59 -2.791 -0.563 11.994 1.00 22.41 C ATOM 984 CG ASP A 59 -3.186 -1.070 13.379 1.00 52.54 C ATOM 985 OD1 ASP A 59 -3.485 -2.261 13.559 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.255 -0.240 14.317 1.00 14.52 O ATOM 0 H ASP A 59 -1.752 0.391 9.947 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.679 -0.632 12.415 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.941 0.516 11.962 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.464 -1.001 11.257 1.00 22.41 H new ATOM 991 N ILE A 60 -1.665 -2.687 10.027 1.00 25.13 N ATOM 992 CA ILE A 60 -1.725 -4.062 9.507 1.00 73.13 C ATOM 993 C ILE A 60 -0.342 -4.597 9.167 1.00 51.12 C ATOM 994 O ILE A 60 0.085 -5.648 9.671 1.00 44.15 O ATOM 995 CB ILE A 60 -2.643 -4.158 8.253 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.023 -3.544 8.543 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.799 -5.618 7.826 1.00 14.41 C ATOM 998 CD1 ILE A 60 -4.962 -3.519 7.349 1.00 50.54 C ATOM 0 H ILE A 60 -2.023 -1.995 9.369 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.149 -4.675 10.302 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.178 -3.597 7.442 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.495 -4.106 9.349 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -3.885 -2.524 8.903 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.443 -5.674 6.948 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -1.820 -6.033 7.585 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.245 -6.189 8.640 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -5.911 -3.070 7.642 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -4.515 -2.932 6.547 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.134 -4.537 7.000 1.00 50.54 H new ATOM 1010 N PHE A 61 0.351 -3.885 8.324 1.00 35.15 N ATOM 1011 CA PHE A 61 1.638 -4.322 7.894 1.00 22.52 C ATOM 1012 C PHE A 61 2.695 -3.412 8.438 1.00 61.31 C ATOM 1013 O PHE A 61 2.529 -2.186 8.493 1.00 64.35 O ATOM 1014 CB PHE A 61 1.726 -4.348 6.344 1.00 0.12 C ATOM 1015 CG PHE A 61 0.774 -5.296 5.672 1.00 21.33 C ATOM 1016 CD1 PHE A 61 1.054 -6.651 5.607 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.394 -4.829 5.091 1.00 50.52 C ATOM 1018 CE1 PHE A 61 0.185 -7.522 4.977 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.266 -5.695 4.460 1.00 53.10 C ATOM 1020 CZ PHE A 61 -0.976 -7.043 4.405 1.00 22.32 C ATOM 0 H PHE A 61 0.041 -2.999 7.924 1.00 35.15 H new ATOM 0 HA PHE A 61 1.796 -5.333 8.269 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.541 -3.342 5.967 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.743 -4.613 6.057 1.00 0.12 H new ATOM 0 HD1 PHE A 61 1.961 -7.031 6.053 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.626 -3.775 5.132 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.414 -8.576 4.932 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.173 -5.318 4.011 1.00 53.10 H new ATOM 0 HZ PHE A 61 -1.657 -7.723 3.915 1.00 22.32 H new ATOM 1030 N GLN A 62 3.771 -3.998 8.834 1.00 72.24 N ATOM 1031 CA GLN A 62 4.885 -3.274 9.283 1.00 2.15 C ATOM 1032 C GLN A 62 5.972 -3.490 8.279 1.00 41.21 C ATOM 1033 O GLN A 62 6.326 -4.619 7.946 1.00 54.12 O ATOM 1034 CB GLN A 62 5.297 -3.716 10.685 1.00 43.12 C ATOM 1035 CG GLN A 62 6.477 -2.959 11.254 1.00 54.21 C ATOM 1036 CD GLN A 62 6.770 -3.338 12.684 1.00 62.30 C ATOM 1037 OE1 GLN A 62 5.873 -3.691 13.447 1.00 51.34 O ATOM 1038 NE2 GLN A 62 8.007 -3.282 13.058 1.00 41.41 N ATOM 0 H GLN A 62 3.893 -5.011 8.851 1.00 72.24 H new ATOM 0 HA GLN A 62 4.659 -2.211 9.365 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.446 -3.597 11.356 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.539 -4.779 10.662 1.00 43.12 H new ATOM 0 HG2 GLN A 62 7.358 -3.153 10.642 1.00 54.21 H new ATOM 0 HG3 GLN A 62 6.279 -1.889 11.198 1.00 54.21 H new ATOM 0 HE21 GLN A 62 8.726 -2.985 12.399 1.00 41.41 H new ATOM 0 HE22 GLN A 62 8.263 -3.535 14.012 1.00 41.41 H new ATOM 1047 N TRP A 63 6.470 -2.444 7.787 1.00 13.44 N ATOM 1048 CA TRP A 63 7.441 -2.486 6.751 1.00 61.35 C ATOM 1049 C TRP A 63 8.748 -1.947 7.226 1.00 61.52 C ATOM 1050 O TRP A 63 8.796 -0.937 7.931 1.00 24.43 O ATOM 1051 CB TRP A 63 6.921 -1.754 5.520 1.00 14.01 C ATOM 1052 CG TRP A 63 6.042 -0.575 5.850 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.403 0.588 6.467 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.643 -0.464 5.572 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.311 1.407 6.598 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.220 0.787 6.045 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.709 -1.308 4.964 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 2.909 1.217 5.932 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.406 -0.878 4.852 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.018 0.372 5.333 1.00 31.53 C ATOM 0 H TRP A 63 6.220 -1.502 8.088 1.00 13.44 H new ATOM 0 HA TRP A 63 7.618 -3.523 6.466 1.00 61.35 H new ATOM 0 HB2 TRP A 63 7.768 -1.411 4.926 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.360 -2.454 4.901 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.401 0.828 6.802 1.00 3.21 H new ATOM 0 HE1 TRP A 63 5.310 2.328 7.036 1.00 11.14 H new ATOM 0 HE3 TRP A 63 4.004 -2.277 4.590 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 2.602 2.184 6.303 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.673 -1.519 4.384 1.00 3.40 H new ATOM 0 HH2 TRP A 63 0.988 0.680 5.230 1.00 31.53 H new ATOM 1071 N GLN A 64 9.795 -2.642 6.898 1.00 35.50 N ATOM 1072 CA GLN A 64 11.115 -2.286 7.311 1.00 11.44 C ATOM 1073 C GLN A 64 11.976 -2.035 6.081 1.00 30.22 C ATOM 1074 O GLN A 64 12.492 -2.987 5.490 1.00 33.31 O ATOM 1075 CB GLN A 64 11.712 -3.447 8.128 1.00 44.22 C ATOM 1076 CG GLN A 64 10.861 -3.861 9.322 1.00 32.13 C ATOM 1077 CD GLN A 64 10.815 -2.806 10.399 1.00 24.43 C ATOM 1078 OE1 GLN A 64 9.811 -2.637 11.077 1.00 13.50 O ATOM 1079 NE2 GLN A 64 11.909 -2.157 10.627 1.00 53.21 N ATOM 0 H GLN A 64 9.753 -3.486 6.326 1.00 35.50 H new ATOM 0 HA GLN A 64 11.084 -1.383 7.921 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.846 -4.308 7.473 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.702 -3.158 8.482 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.847 -4.073 8.984 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.257 -4.786 9.742 1.00 32.13 H new ATOM 0 HE21 GLN A 64 12.730 -2.320 10.044 1.00 53.21 H new ATOM 0 HE22 GLN A 64 11.952 -1.482 11.390 1.00 53.21 H new ATOM 1088 N PRO A 65 12.050 -0.782 5.596 1.00 63.05 N ATOM 1089 CA PRO A 65 12.952 -0.432 4.495 1.00 13.14 C ATOM 1090 C PRO A 65 14.383 -0.465 5.008 1.00 44.11 C ATOM 1091 O PRO A 65 15.290 -1.035 4.389 1.00 4.41 O ATOM 1092 CB PRO A 65 12.552 1.015 4.134 1.00 11.15 C ATOM 1093 CG PRO A 65 11.253 1.257 4.830 1.00 34.32 C ATOM 1094 CD PRO A 65 11.251 0.372 6.039 1.00 62.43 C ATOM 0 HA PRO A 65 12.885 -1.107 3.642 1.00 13.14 H new ATOM 0 HB2 PRO A 65 13.311 1.725 4.462 1.00 11.15 H new ATOM 0 HB3 PRO A 65 12.448 1.136 3.056 1.00 11.15 H new ATOM 0 HG2 PRO A 65 11.154 2.304 5.115 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.413 1.024 4.176 1.00 34.32 H new ATOM 0 HD2 PRO A 65 11.697 0.865 6.903 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.241 0.079 6.325 1.00 62.43 H new ATOM 1102 N GLU A 66 14.525 0.092 6.179 1.00 22.55 N ATOM 1103 CA GLU A 66 15.756 0.157 6.888 1.00 60.44 C ATOM 1104 C GLU A 66 15.601 -0.670 8.137 1.00 3.22 C ATOM 1105 O GLU A 66 15.852 -1.885 8.094 1.00 11.44 O ATOM 1106 CB GLU A 66 16.098 1.609 7.252 1.00 14.51 C ATOM 1107 CG GLU A 66 16.323 2.521 6.061 1.00 33.32 C ATOM 1108 CD GLU A 66 17.447 2.040 5.190 1.00 75.24 C ATOM 1109 OE1 GLU A 66 18.625 2.164 5.590 1.00 31.01 O ATOM 1110 OE2 GLU A 66 17.190 1.537 4.079 1.00 24.43 O ATOM 1111 OXT GLU A 66 15.151 -0.125 9.158 1.00 0.00 O ATOM 0 H GLU A 66 13.750 0.528 6.678 1.00 22.55 H new ATOM 0 HA GLU A 66 16.568 -0.225 6.270 1.00 60.44 H new ATOM 0 HB2 GLU A 66 15.290 2.018 7.859 1.00 14.51 H new ATOM 0 HB3 GLU A 66 16.995 1.613 7.871 1.00 14.51 H new ATOM 0 HG2 GLU A 66 15.408 2.581 5.472 1.00 33.32 H new ATOM 0 HG3 GLU A 66 16.542 3.529 6.412 1.00 33.32 H new ATOM 1119 N MET B 67 -11.749 2.513 -7.679 1.00 4.52 N ATOM 1120 CA MET B 67 -10.744 3.025 -8.608 1.00 15.43 C ATOM 1121 C MET B 67 -9.654 3.721 -7.854 1.00 54.41 C ATOM 1122 O MET B 67 -9.874 4.202 -6.733 1.00 33.23 O ATOM 1123 CB MET B 67 -11.355 3.984 -9.638 1.00 32.24 C ATOM 1124 CG MET B 67 -12.326 3.328 -10.590 1.00 0.23 C ATOM 1125 SD MET B 67 -11.564 1.971 -11.508 1.00 54.32 S ATOM 1126 CE MET B 67 -12.952 1.424 -12.503 1.00 74.51 C ATOM 0 HA MET B 67 -10.331 2.172 -9.148 1.00 15.43 H new ATOM 0 HB2 MET B 67 -11.867 4.789 -9.110 1.00 32.24 H new ATOM 0 HB3 MET B 67 -10.551 4.442 -10.214 1.00 32.24 H new ATOM 0 HG2 MET B 67 -13.183 2.951 -10.031 1.00 0.23 H new ATOM 0 HG3 MET B 67 -12.705 4.072 -11.291 1.00 0.23 H new ATOM 0 HE1 MET B 67 -12.643 0.587 -13.129 1.00 74.51 H new ATOM 0 HE2 MET B 67 -13.766 1.108 -11.850 1.00 74.51 H new ATOM 0 HE3 MET B 67 -13.292 2.244 -13.136 1.00 74.51 H new ATOM 1138 N ILE B 68 -8.491 3.772 -8.450 1.00 22.43 N ATOM 1139 CA ILE B 68 -7.345 4.398 -7.845 1.00 32.41 C ATOM 1140 C ILE B 68 -7.169 5.789 -8.418 1.00 45.13 C ATOM 1141 O ILE B 68 -7.217 5.980 -9.631 1.00 32.11 O ATOM 1142 CB ILE B 68 -6.039 3.577 -8.102 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -6.190 2.135 -7.599 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -4.819 4.243 -7.452 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -6.480 2.025 -6.122 1.00 54.01 C ATOM 0 H ILE B 68 -8.312 3.378 -9.374 1.00 22.43 H new ATOM 0 HA ILE B 68 -7.518 4.444 -6.770 1.00 32.41 H new ATOM 0 HB ILE B 68 -5.876 3.554 -9.180 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -6.994 1.651 -8.153 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -5.274 1.587 -7.820 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -3.929 3.645 -7.651 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -4.685 5.242 -7.867 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -4.974 4.315 -6.376 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -6.572 0.974 -5.847 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -5.666 2.478 -5.557 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -7.412 2.543 -5.895 1.00 54.01 H new ATOM 1157 N ILE B 69 -6.999 6.733 -7.551 1.00 31.31 N ATOM 1158 CA ILE B 69 -6.730 8.098 -7.901 1.00 25.12 C ATOM 1159 C ILE B 69 -5.355 8.369 -7.341 1.00 13.31 C ATOM 1160 O ILE B 69 -5.096 8.059 -6.184 1.00 33.20 O ATOM 1161 CB ILE B 69 -7.765 9.120 -7.271 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.210 8.930 -7.805 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.322 10.561 -7.489 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -9.943 7.699 -7.297 1.00 2.41 C ATOM 0 H ILE B 69 -7.044 6.574 -6.544 1.00 31.31 H new ATOM 0 HA ILE B 69 -6.805 8.234 -8.980 1.00 25.12 H new ATOM 0 HB ILE B 69 -7.780 8.904 -6.203 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -9.794 9.812 -7.542 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.173 8.885 -8.893 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.053 11.237 -7.045 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.351 10.718 -7.020 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.245 10.760 -8.558 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -10.942 7.665 -7.733 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.391 6.803 -7.583 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -10.022 7.745 -6.211 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.475 8.883 -8.121 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.130 9.074 -7.660 1.00 24.23 C ATOM 1178 C ASN B 70 -2.854 10.543 -7.436 1.00 32.00 C ATOM 1179 O ASN B 70 -3.115 11.371 -8.304 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.147 8.473 -8.661 1.00 41.35 C ATOM 1181 CG ASN B 70 -0.711 8.590 -8.216 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.411 8.633 -7.035 1.00 51.44 O ATOM 1183 ND2 ASN B 70 0.181 8.653 -9.147 1.00 33.01 N ATOM 0 H ASN B 70 -4.651 9.181 -9.080 1.00 20.22 H new ATOM 0 HA ASN B 70 -3.002 8.562 -6.706 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.390 7.422 -8.815 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -2.266 8.971 -9.623 1.00 41.35 H new ATOM 0 HD21 ASN B 70 1.167 8.741 -8.903 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -0.101 8.614 -10.127 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.315 10.860 -6.284 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.046 12.233 -5.903 1.00 54.20 C ATOM 1192 C ASN B 71 -0.551 12.440 -5.785 1.00 74.31 C ATOM 1193 O ASN B 71 -0.113 13.425 -5.214 1.00 70.34 O ATOM 1194 CB ASN B 71 -2.673 12.556 -4.536 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.177 12.433 -4.463 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -4.895 12.674 -5.433 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -4.661 12.048 -3.314 1.00 62.53 N ATOM 0 H ASN B 71 -2.048 10.173 -5.579 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.474 12.884 -6.666 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.235 11.893 -3.790 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.396 13.573 -4.260 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -5.668 11.937 -3.196 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.032 11.858 -2.534 1.00 62.53 H new ATOM 1204 N LEU B 72 0.226 11.499 -6.336 1.00 31.42 N ATOM 1205 CA LEU B 72 1.709 11.497 -6.284 1.00 41.12 C ATOM 1206 C LEU B 72 2.291 12.898 -6.552 1.00 32.41 C ATOM 1207 O LEU B 72 3.042 13.429 -5.731 1.00 15.34 O ATOM 1208 CB LEU B 72 2.243 10.463 -7.314 1.00 22.14 C ATOM 1209 CG LEU B 72 3.711 9.963 -7.211 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.749 11.056 -7.422 1.00 11.20 C ATOM 1211 CD2 LEU B 72 3.933 9.259 -5.893 1.00 33.32 C ATOM 0 H LEU B 72 -0.157 10.700 -6.841 1.00 31.42 H new ATOM 0 HA LEU B 72 2.029 11.215 -5.281 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.596 9.587 -7.262 1.00 22.14 H new ATOM 0 HB3 LEU B 72 2.115 10.895 -8.306 1.00 22.14 H new ATOM 0 HG LEU B 72 3.853 9.259 -8.031 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.749 10.630 -7.335 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.624 11.490 -8.414 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.618 11.832 -6.668 1.00 11.20 H new ATOM 0 HD21 LEU B 72 4.965 8.914 -5.834 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.734 9.950 -5.074 1.00 33.32 H new ATOM 0 HD23 LEU B 72 3.260 8.405 -5.819 1.00 33.32 H new ATOM 1223 N LYS B 73 1.926 13.496 -7.679 1.00 14.34 N ATOM 1224 CA LYS B 73 2.429 14.824 -8.022 1.00 42.10 C ATOM 1225 C LYS B 73 1.976 15.885 -7.007 1.00 53.11 C ATOM 1226 O LYS B 73 2.765 16.718 -6.594 1.00 74.22 O ATOM 1227 CB LYS B 73 2.060 15.238 -9.461 1.00 5.41 C ATOM 1228 CG LYS B 73 0.573 15.171 -9.786 1.00 35.52 C ATOM 1229 CD LYS B 73 0.238 15.911 -11.078 1.00 25.45 C ATOM 1230 CE LYS B 73 0.920 15.324 -12.302 1.00 12.21 C ATOM 1231 NZ LYS B 73 0.609 16.111 -13.517 1.00 61.12 N ATOM 0 H LYS B 73 1.291 13.090 -8.366 1.00 14.34 H new ATOM 0 HA LYS B 73 3.516 14.762 -7.975 1.00 42.10 H new ATOM 0 HB2 LYS B 73 2.409 16.257 -9.631 1.00 5.41 H new ATOM 0 HB3 LYS B 73 2.599 14.596 -10.158 1.00 5.41 H new ATOM 0 HG2 LYS B 73 0.268 14.128 -9.875 1.00 35.52 H new ATOM 0 HG3 LYS B 73 0.002 15.601 -8.963 1.00 35.52 H new ATOM 0 HD2 LYS B 73 -0.841 15.894 -11.229 1.00 25.45 H new ATOM 0 HD3 LYS B 73 0.529 16.957 -10.975 1.00 25.45 H new ATOM 0 HE2 LYS B 73 1.998 15.303 -12.145 1.00 12.21 H new ATOM 0 HE3 LYS B 73 0.598 14.292 -12.441 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 1.088 15.687 -14.337 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -0.419 16.110 -13.678 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 0.939 17.089 -13.391 1.00 61.12 H new ATOM 1245 N LEU B 74 0.723 15.798 -6.582 1.00 3.54 N ATOM 1246 CA LEU B 74 0.130 16.729 -5.621 1.00 24.22 C ATOM 1247 C LEU B 74 0.899 16.690 -4.294 1.00 33.32 C ATOM 1248 O LEU B 74 1.186 17.729 -3.709 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.384 16.383 -5.454 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.294 17.334 -4.635 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -2.056 17.222 -3.139 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -2.118 18.773 -5.102 1.00 34.11 C ATOM 0 H LEU B 74 0.079 15.072 -6.896 1.00 3.54 H new ATOM 0 HA LEU B 74 0.203 17.753 -5.987 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.813 16.299 -6.453 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.446 15.396 -4.996 1.00 15.15 H new ATOM 0 HG LEU B 74 -3.324 17.025 -4.815 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.719 17.909 -2.613 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -2.259 16.202 -2.814 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -1.020 17.475 -2.916 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -2.764 19.427 -4.517 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -1.079 19.075 -4.968 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.385 18.849 -6.156 1.00 34.11 H new ATOM 1264 N ILE B 75 1.239 15.500 -3.845 1.00 72.34 N ATOM 1265 CA ILE B 75 2.032 15.322 -2.624 1.00 55.53 C ATOM 1266 C ILE B 75 3.420 15.941 -2.781 1.00 3.21 C ATOM 1267 O ILE B 75 3.952 16.561 -1.846 1.00 40.20 O ATOM 1268 CB ILE B 75 2.080 13.829 -2.124 1.00 33.31 C ATOM 1269 CG1 ILE B 75 0.817 13.474 -1.312 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.320 13.542 -1.280 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.495 13.647 -2.026 1.00 1.24 C ATOM 0 H ILE B 75 0.981 14.627 -4.305 1.00 72.34 H new ATOM 0 HA ILE B 75 1.520 15.864 -1.829 1.00 55.53 H new ATOM 0 HB ILE B 75 2.124 13.207 -3.018 1.00 33.31 H new ATOM 0 HG12 ILE B 75 0.897 12.437 -0.987 1.00 5.53 H new ATOM 0 HG13 ILE B 75 0.803 14.089 -0.412 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.308 12.501 -0.959 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.215 13.729 -1.873 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.323 14.192 -0.405 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.311 13.368 -1.360 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.611 14.688 -2.326 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.515 13.010 -2.910 1.00 1.24 H new ATOM 1283 N ARG B 76 3.983 15.821 -3.978 1.00 23.44 N ATOM 1284 CA ARG B 76 5.267 16.444 -4.254 1.00 2.23 C ATOM 1285 C ARG B 76 5.136 17.946 -4.151 1.00 61.23 C ATOM 1286 O ARG B 76 6.107 18.626 -3.853 1.00 0.10 O ATOM 1287 CB ARG B 76 5.823 16.114 -5.634 1.00 24.15 C ATOM 1288 CG ARG B 76 6.042 14.659 -5.925 1.00 71.12 C ATOM 1289 CD ARG B 76 6.839 14.493 -7.208 1.00 32.20 C ATOM 1290 NE ARG B 76 6.272 15.250 -8.338 1.00 64.13 N ATOM 1291 CZ ARG B 76 6.300 14.856 -9.613 1.00 4.20 C ATOM 1292 NH1 ARG B 76 6.853 13.694 -9.936 1.00 64.25 N ATOM 1293 NH2 ARG B 76 5.789 15.641 -10.555 1.00 51.23 N ATOM 0 H ARG B 76 3.577 15.307 -4.760 1.00 23.44 H new ATOM 0 HA ARG B 76 5.960 16.045 -3.513 1.00 2.23 H new ATOM 0 HB2 ARG B 76 5.141 16.515 -6.384 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.773 16.635 -5.755 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.573 14.191 -5.096 1.00 71.12 H new ATOM 0 HG3 ARG B 76 5.082 14.151 -6.017 1.00 71.12 H new ATOM 0 HD2 ARG B 76 7.865 14.819 -7.037 1.00 32.20 H new ATOM 0 HD3 ARG B 76 6.880 13.436 -7.470 1.00 32.20 H new ATOM 0 HE ARG B 76 5.824 16.143 -8.130 1.00 64.13 H new ATOM 0 HH11 ARG B 76 7.257 13.102 -9.210 1.00 64.25 H new ATOM 0 HH12 ARG B 76 6.874 13.393 -10.910 1.00 64.25 H new ATOM 0 HH21 ARG B 76 5.378 16.540 -10.302 1.00 51.23 H new ATOM 0 HH22 ARG B 76 5.808 15.345 -11.531 1.00 51.23 H new ATOM 1307 N GLU B 77 3.973 18.464 -4.526 1.00 3.43 N ATOM 1308 CA GLU B 77 3.650 19.869 -4.401 1.00 32.25 C ATOM 1309 C GLU B 77 3.421 20.304 -2.943 1.00 23.22 C ATOM 1310 O GLU B 77 3.653 21.465 -2.602 1.00 24.24 O ATOM 1311 CB GLU B 77 2.471 20.219 -5.287 1.00 73.21 C ATOM 1312 CG GLU B 77 2.744 19.912 -6.742 1.00 31.54 C ATOM 1313 CD GLU B 77 1.627 20.318 -7.649 1.00 75.21 C ATOM 1314 OE1 GLU B 77 1.451 21.534 -7.877 1.00 52.20 O ATOM 1315 OE2 GLU B 77 0.934 19.439 -8.206 1.00 73.43 O ATOM 0 H GLU B 77 3.221 17.907 -4.931 1.00 3.43 H new ATOM 0 HA GLU B 77 4.518 20.433 -4.742 1.00 32.25 H new ATOM 0 HB2 GLU B 77 1.593 19.663 -4.958 1.00 73.21 H new ATOM 0 HB3 GLU B 77 2.237 21.278 -5.178 1.00 73.21 H new ATOM 0 HG2 GLU B 77 3.657 20.422 -7.049 1.00 31.54 H new ATOM 0 HG3 GLU B 77 2.924 18.843 -6.854 1.00 31.54 H new ATOM 1322 N LYS B 78 2.848 19.410 -2.127 1.00 12.34 N ATOM 1323 CA LYS B 78 2.698 19.641 -0.670 1.00 0.30 C ATOM 1324 C LYS B 78 4.055 19.875 0.003 1.00 41.03 C ATOM 1325 O LYS B 78 4.176 20.689 0.934 1.00 70.21 O ATOM 1326 CB LYS B 78 1.969 18.470 -0.011 1.00 31.15 C ATOM 1327 CG LYS B 78 0.549 18.288 -0.513 1.00 63.14 C ATOM 1328 CD LYS B 78 -0.160 17.093 0.114 1.00 63.03 C ATOM 1329 CE LYS B 78 -0.213 17.183 1.628 1.00 13.30 C ATOM 1330 NZ LYS B 78 -1.107 16.163 2.196 1.00 22.43 N ATOM 0 H LYS B 78 2.477 18.515 -2.445 1.00 12.34 H new ATOM 0 HA LYS B 78 2.100 20.543 -0.538 1.00 0.30 H new ATOM 0 HB2 LYS B 78 2.531 17.554 -0.191 1.00 31.15 H new ATOM 0 HB3 LYS B 78 1.949 18.625 1.068 1.00 31.15 H new ATOM 0 HG2 LYS B 78 -0.022 19.192 -0.304 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.566 18.165 -1.596 1.00 63.14 H new ATOM 0 HD2 LYS B 78 -1.174 17.028 -0.279 1.00 63.03 H new ATOM 0 HD3 LYS B 78 0.353 16.176 -0.175 1.00 63.03 H new ATOM 0 HE2 LYS B 78 0.790 17.058 2.037 1.00 13.30 H new ATOM 0 HE3 LYS B 78 -0.556 18.175 1.923 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -0.734 15.846 3.113 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -2.055 16.568 2.330 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -1.165 15.352 1.547 1.00 22.43 H new ATOM 1344 N LYS B 79 5.039 19.157 -0.452 1.00 11.23 N ATOM 1345 CA LYS B 79 6.427 19.383 -0.066 1.00 71.54 C ATOM 1346 C LYS B 79 7.028 20.093 -1.261 1.00 62.41 C ATOM 1347 O LYS B 79 6.270 20.696 -2.007 1.00 22.21 O ATOM 1348 CB LYS B 79 7.114 18.034 0.222 1.00 24.24 C ATOM 1349 CG LYS B 79 6.398 17.230 1.309 1.00 24.13 C ATOM 1350 CD LYS B 79 6.272 18.045 2.591 1.00 4.22 C ATOM 1351 CE LYS B 79 5.382 17.376 3.630 1.00 44.25 C ATOM 1352 NZ LYS B 79 5.916 16.090 4.104 1.00 54.41 N ATOM 0 H LYS B 79 4.914 18.387 -1.109 1.00 11.23 H new ATOM 0 HA LYS B 79 6.542 19.972 0.844 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.151 17.446 -0.695 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.145 18.213 0.527 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.408 16.939 0.959 1.00 24.13 H new ATOM 0 HG3 LYS B 79 6.948 16.311 1.510 1.00 24.13 H new ATOM 0 HD2 LYS B 79 7.264 18.202 3.015 1.00 4.22 H new ATOM 0 HD3 LYS B 79 5.868 19.029 2.353 1.00 4.22 H new ATOM 0 HE2 LYS B 79 5.258 18.047 4.480 1.00 44.25 H new ATOM 0 HE3 LYS B 79 4.392 17.216 3.203 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 5.156 15.545 4.558 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 6.293 15.552 3.298 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 6.677 16.262 4.792 1.00 54.41 H new ATOM 1366 N LYS B 80 8.315 20.148 -1.471 1.00 71.43 N ATOM 1367 CA LYS B 80 8.743 20.661 -2.753 1.00 32.42 C ATOM 1368 C LYS B 80 9.937 19.900 -3.273 1.00 13.24 C ATOM 1369 O LYS B 80 11.087 20.319 -3.140 1.00 5.54 O ATOM 1370 CB LYS B 80 8.916 22.223 -2.813 1.00 73.24 C ATOM 1371 CG LYS B 80 9.898 22.881 -1.827 1.00 40.21 C ATOM 1372 CD LYS B 80 9.456 22.786 -0.371 1.00 43.22 C ATOM 1373 CE LYS B 80 10.426 23.512 0.540 1.00 70.42 C ATOM 1374 NZ LYS B 80 10.390 24.980 0.343 1.00 23.43 N ATOM 0 H LYS B 80 9.049 19.865 -0.821 1.00 71.43 H new ATOM 0 HA LYS B 80 7.917 20.478 -3.440 1.00 32.42 H new ATOM 0 HB2 LYS B 80 9.231 22.485 -3.823 1.00 73.24 H new ATOM 0 HB3 LYS B 80 7.936 22.673 -2.658 1.00 73.24 H new ATOM 0 HG2 LYS B 80 10.876 22.411 -1.933 1.00 40.21 H new ATOM 0 HG3 LYS B 80 10.019 23.931 -2.094 1.00 40.21 H new ATOM 0 HD2 LYS B 80 8.459 23.213 -0.261 1.00 43.22 H new ATOM 0 HD3 LYS B 80 9.388 21.739 -0.075 1.00 43.22 H new ATOM 0 HE2 LYS B 80 10.188 23.281 1.578 1.00 70.42 H new ATOM 0 HE3 LYS B 80 11.437 23.147 0.356 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 10.895 25.447 1.123 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 10.848 25.221 -0.559 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 9.402 25.304 0.327 1.00 23.43 H new ATOM 1388 N ILE B 81 9.658 18.724 -3.785 1.00 13.13 N ATOM 1389 CA ILE B 81 10.676 17.856 -4.334 1.00 43.54 C ATOM 1390 C ILE B 81 10.228 17.427 -5.733 1.00 51.30 C ATOM 1391 O ILE B 81 9.016 17.281 -5.984 1.00 65.41 O ATOM 1392 CB ILE B 81 10.915 16.593 -3.436 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.152 17.007 -1.969 1.00 24.32 C ATOM 1394 CG2 ILE B 81 12.126 15.809 -3.945 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.336 15.845 -1.014 1.00 1.24 C ATOM 0 H ILE B 81 8.714 18.340 -3.833 1.00 13.13 H new ATOM 0 HA ILE B 81 11.620 18.399 -4.377 1.00 43.54 H new ATOM 0 HB ILE B 81 10.026 15.964 -3.487 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.035 17.644 -1.922 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.307 17.608 -1.633 1.00 24.32 H new ATOM 0 HG21 ILE B 81 12.284 14.934 -3.315 1.00 62.43 H new ATOM 0 HG22 ILE B 81 11.947 15.489 -4.972 1.00 62.43 H new ATOM 0 HG23 ILE B 81 13.011 16.444 -3.912 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.497 16.225 -0.005 1.00 1.24 H new ATOM 0 HD12 ILE B 81 10.444 15.218 -1.028 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.199 15.255 -1.321 1.00 1.24 H new ATOM 1407 N SER B 82 11.171 17.269 -6.631 1.00 2.42 N ATOM 1408 CA SER B 82 10.892 16.907 -7.993 1.00 41.31 C ATOM 1409 C SER B 82 11.234 15.417 -8.261 1.00 13.21 C ATOM 1410 O SER B 82 11.802 14.731 -7.391 1.00 35.13 O ATOM 1411 CB SER B 82 11.664 17.839 -8.903 1.00 43.33 C ATOM 1412 OG SER B 82 11.341 19.194 -8.623 1.00 71.34 O ATOM 0 H SER B 82 12.164 17.390 -6.430 1.00 2.42 H new ATOM 0 HA SER B 82 9.826 17.014 -8.194 1.00 41.31 H new ATOM 0 HB2 SER B 82 12.734 17.680 -8.771 1.00 43.33 H new ATOM 0 HB3 SER B 82 11.434 17.612 -9.944 1.00 43.33 H new ATOM 0 HG SER B 82 11.850 19.782 -9.219 1.00 71.34 H new ATOM 1418 N GLN B 83 10.885 14.932 -9.454 1.00 45.12 N ATOM 1419 CA GLN B 83 11.032 13.520 -9.795 1.00 65.34 C ATOM 1420 C GLN B 83 12.466 12.961 -9.883 1.00 13.44 C ATOM 1421 O GLN B 83 12.689 11.810 -9.524 1.00 12.11 O ATOM 1422 CB GLN B 83 10.079 13.031 -10.922 1.00 30.22 C ATOM 1423 CG GLN B 83 10.032 13.845 -12.222 1.00 4.43 C ATOM 1424 CD GLN B 83 11.288 13.783 -13.059 1.00 53.31 C ATOM 1425 OE1 GLN B 83 12.187 14.596 -12.919 1.00 72.33 O ATOM 1426 NE2 GLN B 83 11.353 12.818 -13.939 1.00 45.23 N ATOM 0 H GLN B 83 10.496 15.503 -10.204 1.00 45.12 H new ATOM 0 HA GLN B 83 10.673 13.039 -8.885 1.00 65.34 H new ATOM 0 HB2 GLN B 83 10.358 12.009 -11.177 1.00 30.22 H new ATOM 0 HB3 GLN B 83 9.069 12.993 -10.514 1.00 30.22 H new ATOM 0 HG2 GLN B 83 9.194 13.492 -12.824 1.00 4.43 H new ATOM 0 HG3 GLN B 83 9.830 14.887 -11.974 1.00 4.43 H new ATOM 0 HE21 GLN B 83 10.582 12.156 -14.028 1.00 45.23 H new ATOM 0 HE22 GLN B 83 12.175 12.727 -14.536 1.00 45.23 H new ATOM 1435 N SER B 84 13.428 13.761 -10.320 1.00 55.44 N ATOM 1436 CA SER B 84 14.802 13.282 -10.515 1.00 52.11 C ATOM 1437 C SER B 84 15.466 12.933 -9.181 1.00 62.21 C ATOM 1438 O SER B 84 16.066 11.854 -9.017 1.00 10.02 O ATOM 1439 CB SER B 84 15.608 14.369 -11.204 1.00 45.03 C ATOM 1440 OG SER B 84 14.895 14.880 -12.310 1.00 21.34 O ATOM 0 H SER B 84 13.289 14.745 -10.548 1.00 55.44 H new ATOM 0 HA SER B 84 14.770 12.380 -11.126 1.00 52.11 H new ATOM 0 HB2 SER B 84 15.825 15.172 -10.500 1.00 45.03 H new ATOM 0 HB3 SER B 84 16.566 13.967 -11.534 1.00 45.03 H new ATOM 0 HG SER B 84 13.955 14.609 -12.247 1.00 21.34 H new ATOM 1446 N GLU B 85 15.346 13.836 -8.251 1.00 50.43 N ATOM 1447 CA GLU B 85 15.908 13.691 -6.939 1.00 3.23 C ATOM 1448 C GLU B 85 15.209 12.610 -6.148 1.00 41.23 C ATOM 1449 O GLU B 85 15.862 11.849 -5.426 1.00 11.14 O ATOM 1450 CB GLU B 85 16.026 15.041 -6.172 1.00 33.34 C ATOM 1451 CG GLU B 85 14.939 16.092 -6.441 1.00 42.23 C ATOM 1452 CD GLU B 85 15.036 16.700 -7.834 1.00 44.10 C ATOM 1453 OE1 GLU B 85 15.875 17.608 -8.063 1.00 70.32 O ATOM 1454 OE2 GLU B 85 14.322 16.239 -8.732 1.00 64.25 O ATOM 0 H GLU B 85 14.843 14.713 -8.387 1.00 50.43 H new ATOM 0 HA GLU B 85 16.937 13.357 -7.073 1.00 3.23 H new ATOM 0 HB2 GLU B 85 16.031 14.825 -5.104 1.00 33.34 H new ATOM 0 HB3 GLU B 85 16.993 15.484 -6.412 1.00 33.34 H new ATOM 0 HG2 GLU B 85 13.958 15.633 -6.318 1.00 42.23 H new ATOM 0 HG3 GLU B 85 15.015 16.885 -5.697 1.00 42.23 H new ATOM 1461 N LEU B 86 13.892 12.513 -6.309 1.00 73.22 N ATOM 1462 CA LEU B 86 13.139 11.430 -5.695 1.00 10.22 C ATOM 1463 C LEU B 86 13.593 10.100 -6.240 1.00 65.33 C ATOM 1464 O LEU B 86 13.834 9.182 -5.481 1.00 30.50 O ATOM 1465 CB LEU B 86 11.630 11.585 -5.890 1.00 32.54 C ATOM 1466 CG LEU B 86 10.948 12.646 -5.038 1.00 41.02 C ATOM 1467 CD1 LEU B 86 9.476 12.734 -5.391 1.00 52.52 C ATOM 1468 CD2 LEU B 86 11.117 12.316 -3.559 1.00 23.21 C ATOM 0 H LEU B 86 13.331 13.166 -6.855 1.00 73.22 H new ATOM 0 HA LEU B 86 13.336 11.473 -4.624 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.442 11.815 -6.939 1.00 32.54 H new ATOM 0 HB3 LEU B 86 11.157 10.625 -5.684 1.00 32.54 H new ATOM 0 HG LEU B 86 11.413 13.611 -5.238 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.999 13.496 -4.775 1.00 52.52 H new ATOM 0 HD12 LEU B 86 9.369 12.999 -6.443 1.00 52.52 H new ATOM 0 HD13 LEU B 86 9.000 11.770 -5.209 1.00 52.52 H new ATOM 0 HD21 LEU B 86 10.626 13.081 -2.957 1.00 23.21 H new ATOM 0 HD22 LEU B 86 10.668 11.345 -3.349 1.00 23.21 H new ATOM 0 HD23 LEU B 86 12.178 12.286 -3.312 1.00 23.21 H new ATOM 1480 N ALA B 87 13.785 10.037 -7.555 1.00 4.44 N ATOM 1481 CA ALA B 87 14.201 8.818 -8.226 1.00 14.42 C ATOM 1482 C ALA B 87 15.518 8.326 -7.663 1.00 35.03 C ATOM 1483 O ALA B 87 15.677 7.136 -7.394 1.00 72.55 O ATOM 1484 CB ALA B 87 14.326 9.049 -9.721 1.00 1.41 C ATOM 0 H ALA B 87 13.656 10.832 -8.181 1.00 4.44 H new ATOM 0 HA ALA B 87 13.441 8.056 -8.053 1.00 14.42 H new ATOM 0 HB1 ALA B 87 14.639 8.125 -10.207 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.362 9.362 -10.123 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.067 9.826 -9.908 1.00 1.41 H new ATOM 1490 N ALA B 88 16.445 9.249 -7.448 1.00 4.14 N ATOM 1491 CA ALA B 88 17.740 8.915 -6.881 1.00 53.23 C ATOM 1492 C ALA B 88 17.602 8.396 -5.450 1.00 34.22 C ATOM 1493 O ALA B 88 18.273 7.443 -5.058 1.00 30.41 O ATOM 1494 CB ALA B 88 18.662 10.122 -6.931 1.00 24.13 C ATOM 0 H ALA B 88 16.321 10.239 -7.660 1.00 4.14 H new ATOM 0 HA ALA B 88 18.178 8.116 -7.480 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.629 9.859 -6.503 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.796 10.435 -7.967 1.00 24.13 H new ATOM 0 HB3 ALA B 88 18.223 10.939 -6.359 1.00 24.13 H new ATOM 1500 N LEU B 89 16.722 9.008 -4.681 1.00 71.12 N ATOM 1501 CA LEU B 89 16.480 8.593 -3.303 1.00 42.20 C ATOM 1502 C LEU B 89 15.847 7.202 -3.257 1.00 63.22 C ATOM 1503 O LEU B 89 16.192 6.374 -2.411 1.00 30.24 O ATOM 1504 CB LEU B 89 15.568 9.601 -2.588 1.00 60.54 C ATOM 1505 CG LEU B 89 16.115 11.025 -2.431 1.00 63.34 C ATOM 1506 CD1 LEU B 89 15.068 11.934 -1.808 1.00 60.14 C ATOM 1507 CD2 LEU B 89 17.380 11.021 -1.587 1.00 50.33 C ATOM 0 H LEU B 89 16.157 9.800 -4.986 1.00 71.12 H new ATOM 0 HA LEU B 89 17.441 8.558 -2.791 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.626 9.655 -3.133 1.00 60.54 H new ATOM 0 HB3 LEU B 89 15.340 9.211 -1.596 1.00 60.54 H new ATOM 0 HG LEU B 89 16.360 11.408 -3.422 1.00 63.34 H new ATOM 0 HD11 LEU B 89 15.475 12.940 -1.705 1.00 60.14 H new ATOM 0 HD12 LEU B 89 14.185 11.963 -2.447 1.00 60.14 H new ATOM 0 HD13 LEU B 89 14.792 11.551 -0.825 1.00 60.14 H new ATOM 0 HD21 LEU B 89 17.754 12.040 -1.487 1.00 50.33 H new ATOM 0 HD22 LEU B 89 17.157 10.617 -0.599 1.00 50.33 H new ATOM 0 HD23 LEU B 89 18.137 10.403 -2.069 1.00 50.33 H new ATOM 1519 N LEU B 90 14.957 6.945 -4.196 1.00 61.11 N ATOM 1520 CA LEU B 90 14.219 5.691 -4.256 1.00 33.50 C ATOM 1521 C LEU B 90 15.013 4.611 -4.994 1.00 13.04 C ATOM 1522 O LEU B 90 14.562 3.461 -5.085 1.00 54.12 O ATOM 1523 CB LEU B 90 12.894 5.902 -4.999 1.00 1.13 C ATOM 1524 CG LEU B 90 12.026 7.087 -4.569 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.778 7.164 -5.415 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.683 7.037 -3.096 1.00 43.42 C ATOM 0 H LEU B 90 14.722 7.600 -4.942 1.00 61.11 H new ATOM 0 HA LEU B 90 14.040 5.367 -3.231 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.117 6.015 -6.060 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.300 4.994 -4.893 1.00 1.13 H new ATOM 0 HG LEU B 90 12.609 7.994 -4.727 1.00 1.25 H new ATOM 0 HD11 LEU B 90 10.173 8.012 -5.095 1.00 24.05 H new ATOM 0 HD12 LEU B 90 11.055 7.290 -6.462 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.203 6.245 -5.300 1.00 24.05 H new ATOM 0 HD21 LEU B 90 11.066 7.897 -2.837 1.00 43.42 H new ATOM 0 HD22 LEU B 90 11.135 6.120 -2.881 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.600 7.058 -2.508 1.00 43.42 H new ATOM 1538 N GLU B 91 16.172 4.997 -5.540 1.00 45.33 N ATOM 1539 CA GLU B 91 17.044 4.103 -6.311 1.00 22.43 C ATOM 1540 C GLU B 91 16.332 3.566 -7.553 1.00 63.31 C ATOM 1541 O GLU B 91 16.509 2.406 -7.955 1.00 72.53 O ATOM 1542 CB GLU B 91 17.589 2.953 -5.447 1.00 34.10 C ATOM 1543 CG GLU B 91 18.533 3.397 -4.339 1.00 74.02 C ATOM 1544 CD GLU B 91 19.765 4.126 -4.856 1.00 63.23 C ATOM 1545 OE1 GLU B 91 20.116 3.989 -6.045 1.00 73.13 O ATOM 1546 OE2 GLU B 91 20.423 4.834 -4.060 1.00 54.24 O ATOM 0 H GLU B 91 16.534 5.947 -5.458 1.00 45.33 H new ATOM 0 HA GLU B 91 17.897 4.695 -6.643 1.00 22.43 H new ATOM 0 HB2 GLU B 91 16.750 2.419 -5.001 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.111 2.245 -6.091 1.00 34.10 H new ATOM 0 HG2 GLU B 91 17.995 4.050 -3.652 1.00 74.02 H new ATOM 0 HG3 GLU B 91 18.849 2.524 -3.768 1.00 74.02 H new ATOM 1553 N VAL B 92 15.564 4.416 -8.184 1.00 33.53 N ATOM 1554 CA VAL B 92 14.839 4.062 -9.379 1.00 2.41 C ATOM 1555 C VAL B 92 15.166 5.074 -10.458 1.00 32.32 C ATOM 1556 O VAL B 92 15.835 6.077 -10.186 1.00 23.34 O ATOM 1557 CB VAL B 92 13.293 4.021 -9.151 1.00 63.23 C ATOM 1558 CG1 VAL B 92 12.910 2.956 -8.138 1.00 12.32 C ATOM 1559 CG2 VAL B 92 12.750 5.384 -8.726 1.00 4.10 C ATOM 0 H VAL B 92 15.422 5.380 -7.882 1.00 33.53 H new ATOM 0 HA VAL B 92 15.145 3.059 -9.676 1.00 2.41 H new ATOM 0 HB VAL B 92 12.837 3.761 -10.106 1.00 63.23 H new ATOM 0 HG11 VAL B 92 11.828 2.954 -8.003 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.232 1.979 -8.498 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.394 3.169 -7.185 1.00 12.32 H new ATOM 0 HG21 VAL B 92 11.672 5.316 -8.577 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.226 5.691 -7.795 1.00 4.10 H new ATOM 0 HG23 VAL B 92 12.963 6.119 -9.502 1.00 4.10 H new ATOM 1569 N SER B 93 14.733 4.822 -11.654 1.00 35.42 N ATOM 1570 CA SER B 93 14.946 5.743 -12.729 1.00 0.14 C ATOM 1571 C SER B 93 13.891 6.862 -12.646 1.00 54.44 C ATOM 1572 O SER B 93 12.851 6.697 -11.975 1.00 24.14 O ATOM 1573 CB SER B 93 14.822 4.984 -14.043 1.00 23.34 C ATOM 1574 OG SER B 93 15.595 3.782 -14.006 1.00 1.11 O ATOM 0 H SER B 93 14.224 3.977 -11.913 1.00 35.42 H new ATOM 0 HA SER B 93 15.937 6.193 -12.666 1.00 0.14 H new ATOM 0 HB2 SER B 93 13.776 4.744 -14.233 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.159 5.614 -14.866 1.00 23.34 H new ATOM 0 HG SER B 93 15.502 3.307 -14.858 1.00 1.11 H new ATOM 1580 N ARG B 94 14.141 7.986 -13.314 1.00 33.45 N ATOM 1581 CA ARG B 94 13.184 9.104 -13.337 1.00 2.32 C ATOM 1582 C ARG B 94 11.879 8.636 -13.969 1.00 72.10 C ATOM 1583 O ARG B 94 10.792 9.025 -13.562 1.00 61.25 O ATOM 1584 CB ARG B 94 13.743 10.282 -14.136 1.00 73.14 C ATOM 1585 CG ARG B 94 15.057 10.825 -13.619 1.00 54.32 C ATOM 1586 CD ARG B 94 15.576 11.944 -14.505 1.00 53.33 C ATOM 1587 NE ARG B 94 14.728 13.143 -14.472 1.00 21.14 N ATOM 1588 CZ ARG B 94 14.614 14.038 -15.460 1.00 13.43 C ATOM 1589 NH1 ARG B 94 15.171 13.809 -16.646 1.00 20.31 N ATOM 1590 NH2 ARG B 94 13.919 15.158 -15.252 1.00 44.34 N ATOM 0 H ARG B 94 14.994 8.152 -13.847 1.00 33.45 H new ATOM 0 HA ARG B 94 13.007 9.433 -12.313 1.00 2.32 H new ATOM 0 HB2 ARG B 94 13.876 9.971 -15.172 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.007 11.086 -14.136 1.00 73.14 H new ATOM 0 HG2 ARG B 94 14.926 11.194 -12.602 1.00 54.32 H new ATOM 0 HG3 ARG B 94 15.793 10.022 -13.574 1.00 54.32 H new ATOM 0 HD2 ARG B 94 16.585 12.211 -14.190 1.00 53.33 H new ATOM 0 HD3 ARG B 94 15.647 11.584 -15.531 1.00 53.33 H new ATOM 0 HE ARG B 94 14.181 13.307 -13.627 1.00 21.14 H new ATOM 0 HH11 ARG B 94 15.690 12.946 -16.808 1.00 20.31 H new ATOM 0 HH12 ARG B 94 15.079 14.497 -17.394 1.00 20.31 H new ATOM 0 HH21 ARG B 94 13.481 15.325 -14.346 1.00 44.34 H new ATOM 0 HH22 ARG B 94 13.826 15.847 -15.999 1.00 44.34 H new ATOM 1604 N GLN B 95 12.025 7.772 -14.947 1.00 63.51 N ATOM 1605 CA GLN B 95 10.921 7.157 -15.654 1.00 73.10 C ATOM 1606 C GLN B 95 10.109 6.246 -14.724 1.00 21.43 C ATOM 1607 O GLN B 95 8.897 6.154 -14.848 1.00 63.01 O ATOM 1608 CB GLN B 95 11.484 6.363 -16.827 1.00 14.11 C ATOM 1609 CG GLN B 95 10.479 5.590 -17.653 1.00 34.33 C ATOM 1610 CD GLN B 95 11.153 4.855 -18.790 1.00 13.43 C ATOM 1611 OE1 GLN B 95 12.170 5.305 -19.323 1.00 35.21 O ATOM 1612 NE2 GLN B 95 10.633 3.726 -19.150 1.00 24.53 N ATOM 0 H GLN B 95 12.939 7.468 -15.283 1.00 63.51 H new ATOM 0 HA GLN B 95 10.245 7.931 -16.018 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.011 7.053 -17.486 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.224 5.661 -16.442 1.00 14.11 H new ATOM 0 HG2 GLN B 95 9.953 4.878 -17.017 1.00 34.33 H new ATOM 0 HG3 GLN B 95 9.730 6.274 -18.052 1.00 34.33 H new ATOM 0 HE21 GLN B 95 9.791 3.382 -18.688 1.00 24.53 H new ATOM 0 HE22 GLN B 95 11.065 3.180 -19.895 1.00 24.53 H new ATOM 1621 N THR B 96 10.780 5.616 -13.772 1.00 21.22 N ATOM 1622 CA THR B 96 10.136 4.692 -12.871 1.00 0.23 C ATOM 1623 C THR B 96 9.153 5.438 -11.956 1.00 24.14 C ATOM 1624 O THR B 96 7.973 5.082 -11.874 1.00 5.35 O ATOM 1625 CB THR B 96 11.201 3.998 -12.013 1.00 71.41 C ATOM 1626 OG1 THR B 96 12.265 3.540 -12.861 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.611 2.817 -11.261 1.00 50.43 C ATOM 0 H THR B 96 11.780 5.734 -13.608 1.00 21.22 H new ATOM 0 HA THR B 96 9.586 3.953 -13.453 1.00 0.23 H new ATOM 0 HB THR B 96 11.581 4.714 -11.284 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.673 2.739 -12.471 1.00 40.00 H new ATOM 0 HG21 THR B 96 11.388 2.343 -10.661 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.810 3.164 -10.609 1.00 50.43 H new ATOM 0 HG23 THR B 96 10.212 2.095 -11.973 1.00 50.43 H new ATOM 1635 N ILE B 97 9.639 6.491 -11.303 1.00 3.24 N ATOM 1636 CA ILE B 97 8.798 7.302 -10.426 1.00 15.23 C ATOM 1637 C ILE B 97 7.700 8.013 -11.246 1.00 54.43 C ATOM 1638 O ILE B 97 6.547 8.113 -10.809 1.00 12.25 O ATOM 1639 CB ILE B 97 9.684 8.287 -9.535 1.00 61.33 C ATOM 1640 CG1 ILE B 97 8.880 9.087 -8.456 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.536 9.220 -10.382 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.052 10.266 -8.956 1.00 15.23 C ATOM 0 H ILE B 97 10.608 6.802 -11.364 1.00 3.24 H new ATOM 0 HA ILE B 97 8.280 6.656 -9.717 1.00 15.23 H new ATOM 0 HB ILE B 97 10.348 7.625 -8.979 1.00 61.33 H new ATOM 0 HG12 ILE B 97 8.212 8.393 -7.946 1.00 13.20 H new ATOM 0 HG13 ILE B 97 9.585 9.457 -7.711 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.120 9.870 -9.731 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.209 8.632 -11.006 1.00 12.10 H new ATOM 0 HG23 ILE B 97 9.890 9.827 -11.016 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.544 10.737 -8.114 1.00 15.23 H new ATOM 0 HD12 ILE B 97 8.707 10.993 -9.437 1.00 15.23 H new ATOM 0 HD13 ILE B 97 7.313 9.913 -9.675 1.00 15.23 H new ATOM 1654 N ASN B 98 8.047 8.434 -12.453 1.00 30.33 N ATOM 1655 CA ASN B 98 7.089 9.088 -13.337 1.00 60.42 C ATOM 1656 C ASN B 98 5.992 8.120 -13.778 1.00 3.24 C ATOM 1657 O ASN B 98 4.824 8.505 -13.906 1.00 13.11 O ATOM 1658 CB ASN B 98 7.777 9.718 -14.540 1.00 64.50 C ATOM 1659 CG ASN B 98 6.816 10.500 -15.410 1.00 24.43 C ATOM 1660 OD1 ASN B 98 6.256 9.979 -16.382 1.00 33.15 O ATOM 1661 ND2 ASN B 98 6.561 11.726 -15.032 1.00 74.02 N ATOM 0 H ASN B 98 8.984 8.335 -12.844 1.00 30.33 H new ATOM 0 HA ASN B 98 6.619 9.891 -12.769 1.00 60.42 H new ATOM 0 HB2 ASN B 98 8.572 10.380 -14.195 1.00 64.50 H new ATOM 0 HB3 ASN B 98 8.249 8.937 -15.136 1.00 64.50 H new ATOM 0 HD21 ASN B 98 5.880 12.286 -15.544 1.00 74.02 H new ATOM 0 HD22 ASN B 98 7.043 12.122 -14.225 1.00 74.02 H new ATOM 1668 N GLY B 99 6.367 6.874 -14.015 1.00 32.15 N ATOM 1669 CA GLY B 99 5.405 5.847 -14.344 1.00 62.40 C ATOM 1670 C GLY B 99 4.429 5.626 -13.202 1.00 51.22 C ATOM 1671 O GLY B 99 3.243 5.303 -13.421 1.00 73.51 O ATOM 0 H GLY B 99 7.335 6.553 -13.984 1.00 32.15 H new ATOM 0 HA2 GLY B 99 4.859 6.131 -15.244 1.00 62.40 H new ATOM 0 HA3 GLY B 99 5.925 4.915 -14.567 1.00 62.40 H new ATOM 1675 N ILE B 100 4.923 5.769 -11.975 1.00 55.13 N ATOM 1676 CA ILE B 100 4.090 5.702 -10.785 1.00 14.23 C ATOM 1677 C ILE B 100 3.102 6.873 -10.770 1.00 12.31 C ATOM 1678 O ILE B 100 1.930 6.684 -10.467 1.00 62.21 O ATOM 1679 CB ILE B 100 4.949 5.704 -9.476 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.881 4.476 -9.418 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.075 5.771 -8.227 1.00 62.42 C ATOM 1682 CD1 ILE B 100 5.160 3.136 -9.423 1.00 51.13 C ATOM 0 H ILE B 100 5.911 5.934 -11.781 1.00 55.13 H new ATOM 0 HA ILE B 100 3.538 4.763 -10.817 1.00 14.23 H new ATOM 0 HB ILE B 100 5.566 6.602 -9.500 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.561 4.511 -10.269 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.493 4.542 -8.518 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.708 5.770 -7.340 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.480 6.684 -8.248 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.412 4.906 -8.200 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.892 2.329 -9.380 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.501 3.074 -8.557 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.571 3.043 -10.335 1.00 51.13 H new ATOM 1694 N GLU B 101 3.578 8.070 -11.158 1.00 42.35 N ATOM 1695 CA GLU B 101 2.723 9.281 -11.233 1.00 14.13 C ATOM 1696 C GLU B 101 1.543 9.058 -12.151 1.00 62.12 C ATOM 1697 O GLU B 101 0.443 9.518 -11.884 1.00 33.44 O ATOM 1698 CB GLU B 101 3.465 10.441 -11.866 1.00 72.22 C ATOM 1699 CG GLU B 101 4.690 10.956 -11.182 1.00 22.14 C ATOM 1700 CD GLU B 101 5.299 12.058 -12.012 1.00 2.35 C ATOM 1701 OE1 GLU B 101 4.542 12.828 -12.630 1.00 14.03 O ATOM 1702 OE2 GLU B 101 6.535 12.165 -12.092 1.00 12.42 O ATOM 0 H GLU B 101 4.549 8.230 -11.426 1.00 42.35 H new ATOM 0 HA GLU B 101 2.423 9.490 -10.206 1.00 14.13 H new ATOM 0 HB2 GLU B 101 3.748 10.143 -12.876 1.00 72.22 H new ATOM 0 HB3 GLU B 101 2.765 11.271 -11.963 1.00 72.22 H new ATOM 0 HG2 GLU B 101 4.436 11.330 -10.190 1.00 22.14 H new ATOM 0 HG3 GLU B 101 5.410 10.149 -11.044 1.00 22.14 H new ATOM 1709 N LYS B 102 1.767 8.323 -13.200 1.00 72.42 N ATOM 1710 CA LYS B 102 0.751 8.106 -14.200 1.00 3.42 C ATOM 1711 C LYS B 102 -0.070 6.865 -13.856 1.00 64.33 C ATOM 1712 O LYS B 102 -1.000 6.506 -14.585 1.00 74.05 O ATOM 1713 CB LYS B 102 1.426 7.943 -15.570 1.00 71.34 C ATOM 1714 CG LYS B 102 2.352 9.104 -15.938 1.00 73.40 C ATOM 1715 CD LYS B 102 1.594 10.404 -16.146 1.00 3.32 C ATOM 1716 CE LYS B 102 2.541 11.597 -16.282 1.00 11.20 C ATOM 1717 NZ LYS B 102 3.208 11.941 -14.995 1.00 30.21 N ATOM 0 H LYS B 102 2.654 7.857 -13.391 1.00 72.42 H new ATOM 0 HA LYS B 102 0.076 8.961 -14.230 1.00 3.42 H new ATOM 0 HB2 LYS B 102 1.999 7.016 -15.575 1.00 71.34 H new ATOM 0 HB3 LYS B 102 0.656 7.846 -16.336 1.00 71.34 H new ATOM 0 HG2 LYS B 102 3.092 9.240 -15.149 1.00 73.40 H new ATOM 0 HG3 LYS B 102 2.898 8.855 -16.848 1.00 73.40 H new ATOM 0 HD2 LYS B 102 0.977 10.326 -17.041 1.00 3.32 H new ATOM 0 HD3 LYS B 102 0.919 10.570 -15.307 1.00 3.32 H new ATOM 0 HE2 LYS B 102 3.299 11.372 -17.032 1.00 11.20 H new ATOM 0 HE3 LYS B 102 1.983 12.462 -16.642 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 3.690 12.858 -15.088 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 2.496 11.999 -14.240 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 3.905 11.206 -14.758 1.00 30.21 H new ATOM 1731 N ASN B 103 0.277 6.225 -12.716 1.00 21.34 N ATOM 1732 CA ASN B 103 -0.348 4.961 -12.254 1.00 41.10 C ATOM 1733 C ASN B 103 -0.263 3.927 -13.389 1.00 30.41 C ATOM 1734 O ASN B 103 -1.083 3.043 -13.535 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.822 5.238 -11.798 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.535 4.039 -11.149 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -2.407 3.799 -9.954 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.332 3.319 -11.912 1.00 15.22 N ATOM 0 H ASN B 103 1.001 6.571 -12.087 1.00 21.34 H new ATOM 0 HA ASN B 103 0.180 4.556 -11.391 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.818 6.067 -11.090 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -2.400 5.561 -12.664 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -3.859 2.543 -11.510 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -3.423 3.537 -12.904 1.00 15.22 H new ATOM 1745 N LYS B 104 0.817 3.997 -14.125 1.00 23.05 N ATOM 1746 CA LYS B 104 0.961 3.231 -15.331 1.00 71.21 C ATOM 1747 C LYS B 104 1.951 2.114 -15.080 1.00 63.12 C ATOM 1748 O LYS B 104 1.864 1.028 -15.661 1.00 54.40 O ATOM 1749 CB LYS B 104 1.445 4.183 -16.421 1.00 54.41 C ATOM 1750 CG LYS B 104 1.393 3.662 -17.838 1.00 51.33 C ATOM 1751 CD LYS B 104 1.745 4.787 -18.791 1.00 14.11 C ATOM 1752 CE LYS B 104 1.586 4.391 -20.240 1.00 53.22 C ATOM 1753 NZ LYS B 104 1.845 5.538 -21.133 1.00 30.43 N ATOM 0 H LYS B 104 1.619 4.587 -13.903 1.00 23.05 H new ATOM 0 HA LYS B 104 0.021 2.778 -15.646 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.848 5.094 -16.369 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.474 4.464 -16.197 1.00 54.41 H new ATOM 0 HG2 LYS B 104 2.090 2.833 -17.960 1.00 51.33 H new ATOM 0 HG3 LYS B 104 0.398 3.277 -18.061 1.00 51.33 H new ATOM 0 HD2 LYS B 104 1.110 5.648 -18.582 1.00 14.11 H new ATOM 0 HD3 LYS B 104 2.774 5.099 -18.614 1.00 14.11 H new ATOM 0 HE2 LYS B 104 2.274 3.579 -20.476 1.00 53.22 H new ATOM 0 HE3 LYS B 104 0.577 4.014 -20.409 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 1.729 5.240 -22.123 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 1.172 6.302 -20.920 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 2.816 5.880 -20.986 1.00 30.43 H new ATOM 1767 N TYR B 105 2.859 2.371 -14.163 1.00 74.05 N ATOM 1768 CA TYR B 105 3.883 1.421 -13.789 1.00 12.53 C ATOM 1769 C TYR B 105 3.335 0.488 -12.702 1.00 13.41 C ATOM 1770 O TYR B 105 3.931 -0.541 -12.395 1.00 2.12 O ATOM 1771 CB TYR B 105 5.074 2.224 -13.254 1.00 73.50 C ATOM 1772 CG TYR B 105 6.383 1.491 -13.170 1.00 32.23 C ATOM 1773 CD1 TYR B 105 7.149 1.318 -14.301 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.871 1.010 -11.964 1.00 33.20 C ATOM 1775 CE1 TYR B 105 8.373 0.685 -14.246 1.00 3.04 C ATOM 1776 CE2 TYR B 105 8.090 0.366 -11.898 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.839 0.206 -13.046 1.00 33.11 C ATOM 1778 OH TYR B 105 10.080 -0.412 -12.984 1.00 24.32 O ATOM 0 H TYR B 105 2.907 3.253 -13.652 1.00 74.05 H new ATOM 0 HA TYR B 105 4.190 0.812 -14.639 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.211 3.099 -13.890 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.821 2.590 -12.259 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.784 1.685 -15.249 1.00 62.14 H new ATOM 0 HD2 TYR B 105 6.289 1.141 -11.064 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.963 0.566 -15.143 1.00 3.04 H new ATOM 0 HE2 TYR B 105 8.455 -0.010 -10.954 1.00 1.32 H new ATOM 0 HH TYR B 105 10.260 -0.692 -12.062 1.00 24.32 H new ATOM 1788 N ASN B 106 2.171 0.869 -12.167 1.00 43.42 N ATOM 1789 CA ASN B 106 1.482 0.187 -11.050 1.00 41.25 C ATOM 1790 C ASN B 106 2.256 0.332 -9.754 1.00 40.41 C ATOM 1791 O ASN B 106 3.401 -0.119 -9.638 1.00 21.44 O ATOM 1792 CB ASN B 106 1.134 -1.292 -11.334 1.00 44.44 C ATOM 1793 CG ASN B 106 0.393 -1.960 -10.168 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -0.826 -1.846 -10.051 1.00 64.13 O ATOM 1795 ND2 ASN B 106 1.100 -2.678 -9.330 1.00 53.45 N ATOM 0 H ASN B 106 1.661 1.685 -12.505 1.00 43.42 H new ATOM 0 HA ASN B 106 0.525 0.697 -10.942 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.518 -1.350 -12.232 1.00 44.44 H new ATOM 0 HB3 ASN B 106 2.051 -1.844 -11.540 1.00 44.44 H new ATOM 0 HD21 ASN B 106 0.640 -3.159 -8.557 1.00 53.45 H new ATOM 0 HD22 ASN B 106 2.110 -2.755 -9.451 1.00 53.45 H new ATOM 1802 N PRO B 107 1.661 0.996 -8.772 1.00 2.41 N ATOM 1803 CA PRO B 107 2.294 1.228 -7.491 1.00 33.40 C ATOM 1804 C PRO B 107 2.536 -0.057 -6.695 1.00 61.13 C ATOM 1805 O PRO B 107 1.602 -0.672 -6.157 1.00 2.50 O ATOM 1806 CB PRO B 107 1.313 2.148 -6.743 1.00 23.24 C ATOM 1807 CG PRO B 107 0.387 2.660 -7.791 1.00 52.51 C ATOM 1808 CD PRO B 107 0.312 1.586 -8.824 1.00 12.41 C ATOM 0 HA PRO B 107 3.285 1.662 -7.622 1.00 33.40 H new ATOM 0 HB2 PRO B 107 0.771 1.602 -5.971 1.00 23.24 H new ATOM 0 HB3 PRO B 107 1.838 2.965 -6.247 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -0.598 2.871 -7.374 1.00 52.51 H new ATOM 0 HG3 PRO B 107 0.758 3.591 -8.220 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -0.460 0.853 -8.591 1.00 12.41 H new ATOM 0 HD3 PRO B 107 0.083 1.988 -9.811 1.00 12.41 H new ATOM 1816 N SER B 108 3.762 -0.506 -6.702 1.00 32.11 N ATOM 1817 CA SER B 108 4.165 -1.581 -5.849 1.00 31.54 C ATOM 1818 C SER B 108 4.335 -0.963 -4.465 1.00 35.33 C ATOM 1819 O SER B 108 4.790 0.194 -4.367 1.00 31.14 O ATOM 1820 CB SER B 108 5.488 -2.155 -6.348 1.00 33.24 C ATOM 1821 OG SER B 108 5.422 -2.423 -7.745 1.00 63.24 O ATOM 0 H SER B 108 4.503 -0.136 -7.297 1.00 32.11 H new ATOM 0 HA SER B 108 3.439 -2.394 -5.832 1.00 31.54 H new ATOM 0 HB2 SER B 108 6.296 -1.452 -6.145 1.00 33.24 H new ATOM 0 HB3 SER B 108 5.720 -3.072 -5.807 1.00 33.24 H new ATOM 0 HG SER B 108 6.279 -2.789 -8.049 1.00 63.24 H new ATOM 1827 N LEU B 109 3.982 -1.689 -3.422 1.00 41.22 N ATOM 1828 CA LEU B 109 3.989 -1.141 -2.078 1.00 3.42 C ATOM 1829 C LEU B 109 5.384 -0.670 -1.667 1.00 71.35 C ATOM 1830 O LEU B 109 5.502 0.381 -1.086 1.00 31.14 O ATOM 1831 CB LEU B 109 3.344 -2.126 -1.055 1.00 34.44 C ATOM 1832 CG LEU B 109 3.077 -1.620 0.404 1.00 23.40 C ATOM 1833 CD1 LEU B 109 4.346 -1.580 1.255 1.00 22.03 C ATOM 1834 CD2 LEU B 109 2.404 -0.240 0.390 1.00 44.53 C ATOM 0 H LEU B 109 3.686 -2.663 -3.479 1.00 41.22 H new ATOM 0 HA LEU B 109 3.361 -0.250 -2.076 1.00 3.42 H new ATOM 0 HB2 LEU B 109 2.392 -2.459 -1.470 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.987 -3.004 -0.989 1.00 34.44 H new ATOM 0 HG LEU B 109 2.402 -2.342 0.864 1.00 23.40 H new ATOM 0 HD11 LEU B 109 4.102 -1.222 2.255 1.00 22.03 H new ATOM 0 HD12 LEU B 109 4.771 -2.581 1.321 1.00 22.03 H new ATOM 0 HD13 LEU B 109 5.071 -0.908 0.796 1.00 22.03 H new ATOM 0 HD21 LEU B 109 2.229 0.090 1.414 1.00 44.53 H new ATOM 0 HD22 LEU B 109 3.052 0.476 -0.116 1.00 44.53 H new ATOM 0 HD23 LEU B 109 1.453 -0.305 -0.138 1.00 44.53 H new ATOM 1846 N GLN B 110 6.429 -1.423 -2.007 1.00 2.30 N ATOM 1847 CA GLN B 110 7.811 -1.026 -1.682 1.00 25.44 C ATOM 1848 C GLN B 110 8.130 0.366 -2.249 1.00 14.52 C ATOM 1849 O GLN B 110 8.649 1.238 -1.547 1.00 12.34 O ATOM 1850 CB GLN B 110 8.791 -2.040 -2.271 1.00 43.20 C ATOM 1851 CG GLN B 110 10.244 -1.810 -1.887 1.00 23.12 C ATOM 1852 CD GLN B 110 10.504 -2.054 -0.419 1.00 1.11 C ATOM 1853 OE1 GLN B 110 10.413 -1.153 0.408 1.00 21.35 O ATOM 1854 NE2 GLN B 110 10.824 -3.276 -0.091 1.00 45.30 N ATOM 0 H GLN B 110 6.353 -2.309 -2.506 1.00 2.30 H new ATOM 0 HA GLN B 110 7.910 -0.996 -0.597 1.00 25.44 H new ATOM 0 HB2 GLN B 110 8.497 -3.039 -1.949 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.708 -2.018 -3.358 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.881 -2.468 -2.479 1.00 23.12 H new ATOM 0 HG3 GLN B 110 10.524 -0.786 -2.136 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.889 -3.997 -0.810 1.00 45.30 H new ATOM 0 HE22 GLN B 110 11.009 -3.510 0.884 1.00 45.30 H new ATOM 1863 N LEU B 111 7.799 0.565 -3.517 1.00 33.52 N ATOM 1864 CA LEU B 111 8.019 1.844 -4.172 1.00 33.42 C ATOM 1865 C LEU B 111 7.152 2.921 -3.548 1.00 12.12 C ATOM 1866 O LEU B 111 7.637 4.002 -3.236 1.00 53.21 O ATOM 1867 CB LEU B 111 7.789 1.784 -5.703 1.00 75.22 C ATOM 1868 CG LEU B 111 8.849 1.053 -6.562 1.00 12.11 C ATOM 1869 CD1 LEU B 111 8.909 -0.437 -6.268 1.00 72.44 C ATOM 1870 CD2 LEU B 111 8.590 1.294 -8.040 1.00 1.23 C ATOM 0 H LEU B 111 7.376 -0.146 -4.113 1.00 33.52 H new ATOM 0 HA LEU B 111 9.069 2.095 -4.020 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.826 1.304 -5.879 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.707 2.807 -6.070 1.00 75.22 H new ATOM 0 HG LEU B 111 9.820 1.469 -6.295 1.00 12.11 H new ATOM 0 HD11 LEU B 111 9.668 -0.902 -6.897 1.00 72.44 H new ATOM 0 HD12 LEU B 111 9.163 -0.591 -5.219 1.00 72.44 H new ATOM 0 HD13 LEU B 111 7.939 -0.888 -6.477 1.00 72.44 H new ATOM 0 HD21 LEU B 111 9.344 0.774 -8.631 1.00 1.23 H new ATOM 0 HD22 LEU B 111 7.601 0.919 -8.302 1.00 1.23 H new ATOM 0 HD23 LEU B 111 8.640 2.363 -8.249 1.00 1.23 H new ATOM 1882 N ALA B 112 5.889 2.599 -3.326 1.00 72.35 N ATOM 1883 CA ALA B 112 4.939 3.525 -2.721 1.00 41.10 C ATOM 1884 C ALA B 112 5.395 3.935 -1.323 1.00 44.34 C ATOM 1885 O ALA B 112 5.306 5.103 -0.948 1.00 24.52 O ATOM 1886 CB ALA B 112 3.556 2.889 -2.659 1.00 4.33 C ATOM 0 H ALA B 112 5.491 1.689 -3.559 1.00 72.35 H new ATOM 0 HA ALA B 112 4.890 4.421 -3.340 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.854 3.589 -2.206 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.223 2.643 -3.667 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.600 1.980 -2.060 1.00 4.33 H new ATOM 1892 N LEU B 113 5.915 2.972 -0.586 1.00 33.43 N ATOM 1893 CA LEU B 113 6.399 3.169 0.759 1.00 23.45 C ATOM 1894 C LEU B 113 7.576 4.107 0.802 1.00 50.21 C ATOM 1895 O LEU B 113 7.615 5.008 1.620 1.00 21.23 O ATOM 1896 CB LEU B 113 6.814 1.831 1.359 1.00 32.41 C ATOM 1897 CG LEU B 113 7.578 1.898 2.671 1.00 61.44 C ATOM 1898 CD1 LEU B 113 6.735 2.533 3.762 1.00 11.43 C ATOM 1899 CD2 LEU B 113 8.070 0.522 3.065 1.00 70.53 C ATOM 0 H LEU B 113 6.013 2.012 -0.917 1.00 33.43 H new ATOM 0 HA LEU B 113 5.587 3.612 1.335 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.917 1.231 1.514 1.00 32.41 H new ATOM 0 HB3 LEU B 113 7.429 1.303 0.630 1.00 32.41 H new ATOM 0 HG LEU B 113 8.451 2.535 2.533 1.00 61.44 H new ATOM 0 HD11 LEU B 113 7.307 2.568 4.689 1.00 11.43 H new ATOM 0 HD12 LEU B 113 6.460 3.546 3.467 1.00 11.43 H new ATOM 0 HD13 LEU B 113 5.832 1.942 3.914 1.00 11.43 H new ATOM 0 HD21 LEU B 113 8.615 0.586 4.007 1.00 70.53 H new ATOM 0 HD22 LEU B 113 7.219 -0.149 3.184 1.00 70.53 H new ATOM 0 HD23 LEU B 113 8.731 0.136 2.289 1.00 70.53 H new ATOM 1911 N LYS B 114 8.531 3.914 -0.075 1.00 52.33 N ATOM 1912 CA LYS B 114 9.691 4.767 -0.057 1.00 54.10 C ATOM 1913 C LYS B 114 9.350 6.186 -0.477 1.00 25.41 C ATOM 1914 O LYS B 114 9.884 7.142 0.079 1.00 42.33 O ATOM 1915 CB LYS B 114 10.904 4.160 -0.779 1.00 63.32 C ATOM 1916 CG LYS B 114 10.663 3.679 -2.194 1.00 23.52 C ATOM 1917 CD LYS B 114 11.916 3.040 -2.768 1.00 64.34 C ATOM 1918 CE LYS B 114 12.337 1.802 -1.976 1.00 3.10 C ATOM 1919 NZ LYS B 114 13.590 1.223 -2.492 1.00 33.32 N ATOM 0 H LYS B 114 8.529 3.191 -0.794 1.00 52.33 H new ATOM 0 HA LYS B 114 10.020 4.839 0.980 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.699 4.905 -0.800 1.00 63.32 H new ATOM 0 HB3 LYS B 114 11.270 3.320 -0.189 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.845 2.959 -2.204 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.357 4.517 -2.820 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.739 2.764 -3.807 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.728 3.767 -2.765 1.00 64.34 H new ATOM 0 HE2 LYS B 114 12.464 2.068 -0.927 1.00 3.10 H new ATOM 0 HE3 LYS B 114 11.545 1.054 -2.022 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 13.843 0.386 -1.930 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 13.461 0.946 -3.486 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 14.352 1.928 -2.425 1.00 33.32 H new ATOM 1933 N ILE B 115 8.414 6.326 -1.411 1.00 54.11 N ATOM 1934 CA ILE B 115 7.916 7.643 -1.792 1.00 1.24 C ATOM 1935 C ILE B 115 7.257 8.292 -0.566 1.00 2.41 C ATOM 1936 O ILE B 115 7.530 9.445 -0.228 1.00 64.12 O ATOM 1937 CB ILE B 115 6.879 7.553 -2.950 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.520 6.926 -4.193 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.324 8.933 -3.278 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.568 6.696 -5.351 1.00 35.31 C ATOM 0 H ILE B 115 7.987 5.549 -1.915 1.00 54.11 H new ATOM 0 HA ILE B 115 8.756 8.242 -2.144 1.00 1.24 H new ATOM 0 HB ILE B 115 6.055 6.918 -2.626 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.332 7.571 -4.531 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.966 5.972 -3.913 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.601 8.851 -4.089 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.835 9.347 -2.396 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.139 9.590 -3.583 1.00 5.22 H new ATOM 0 HD11 ILE B 115 7.110 6.250 -6.185 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.769 6.025 -5.037 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.140 7.648 -5.665 1.00 35.31 H new ATOM 1952 N ALA B 116 6.460 7.495 0.130 1.00 44.20 N ATOM 1953 CA ALA B 116 5.739 7.915 1.325 1.00 11.21 C ATOM 1954 C ALA B 116 6.680 8.319 2.425 1.00 70.10 C ATOM 1955 O ALA B 116 6.416 9.247 3.175 1.00 34.45 O ATOM 1956 CB ALA B 116 4.908 6.772 1.836 1.00 53.40 C ATOM 0 H ALA B 116 6.292 6.521 -0.123 1.00 44.20 H new ATOM 0 HA ALA B 116 5.118 8.768 1.049 1.00 11.21 H new ATOM 0 HB1 ALA B 116 4.369 7.085 2.730 1.00 53.40 H new ATOM 0 HB2 ALA B 116 4.195 6.469 1.069 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.557 5.931 2.080 1.00 53.40 H new ATOM 1962 N TYR B 117 7.726 7.569 2.554 1.00 50.04 N ATOM 1963 CA TYR B 117 8.711 7.763 3.563 1.00 11.22 C ATOM 1964 C TYR B 117 9.544 9.028 3.292 1.00 40.54 C ATOM 1965 O TYR B 117 9.644 9.899 4.157 1.00 51.22 O ATOM 1966 CB TYR B 117 9.565 6.500 3.640 1.00 31.54 C ATOM 1967 CG TYR B 117 10.565 6.456 4.749 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.188 6.139 6.045 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.880 6.709 4.492 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.117 6.082 7.061 1.00 33.41 C ATOM 1971 CE2 TYR B 117 12.831 6.652 5.494 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.439 6.336 6.783 1.00 45.04 C ATOM 1973 OH TYR B 117 13.372 6.273 7.795 1.00 12.24 O ATOM 0 H TYR B 117 7.923 6.779 1.939 1.00 50.04 H new ATOM 0 HA TYR B 117 8.237 7.927 4.531 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.901 5.641 3.741 1.00 31.54 H new ATOM 0 HB3 TYR B 117 10.094 6.384 2.694 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.150 5.934 6.262 1.00 73.13 H new ATOM 0 HD2 TYR B 117 12.185 6.959 3.486 1.00 52.31 H new ATOM 0 HE1 TYR B 117 10.809 5.840 8.067 1.00 33.41 H new ATOM 0 HE2 TYR B 117 13.869 6.852 5.273 1.00 14.05 H new ATOM 0 HH TYR B 117 14.260 6.477 7.434 1.00 12.24 H new ATOM 1983 N TYR B 118 10.084 9.154 2.079 1.00 52.41 N ATOM 1984 CA TYR B 118 10.920 10.312 1.724 1.00 3.45 C ATOM 1985 C TYR B 118 10.122 11.612 1.646 1.00 25.43 C ATOM 1986 O TYR B 118 10.593 12.655 2.081 1.00 40.30 O ATOM 1987 CB TYR B 118 11.727 10.084 0.434 1.00 51.32 C ATOM 1988 CG TYR B 118 12.908 9.134 0.582 1.00 74.11 C ATOM 1989 CD1 TYR B 118 14.147 9.607 0.995 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.792 7.784 0.292 1.00 1.22 C ATOM 1991 CE1 TYR B 118 15.232 8.760 1.112 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.869 6.928 0.411 1.00 0.00 C ATOM 1993 CZ TYR B 118 15.087 7.423 0.819 1.00 75.33 C ATOM 1994 OH TYR B 118 16.167 6.574 0.937 1.00 10.50 O ATOM 0 H TYR B 118 9.961 8.476 1.327 1.00 52.41 H new ATOM 0 HA TYR B 118 11.634 10.418 2.541 1.00 3.45 H new ATOM 0 HB2 TYR B 118 11.058 9.694 -0.333 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.094 11.046 0.077 1.00 51.32 H new ATOM 0 HD1 TYR B 118 14.264 10.655 1.229 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.839 7.393 -0.034 1.00 1.22 H new ATOM 0 HE1 TYR B 118 16.189 9.145 1.432 1.00 72.42 H new ATOM 0 HE2 TYR B 118 13.757 5.878 0.186 1.00 0.00 H new ATOM 0 HH TYR B 118 15.896 5.664 0.694 1.00 10.50 H new ATOM 2004 N LEU B 119 8.914 11.548 1.120 1.00 43.52 N ATOM 2005 CA LEU B 119 8.059 12.739 1.049 1.00 35.04 C ATOM 2006 C LEU B 119 7.350 12.968 2.369 1.00 52.42 C ATOM 2007 O LEU B 119 6.776 14.034 2.598 1.00 34.31 O ATOM 2008 CB LEU B 119 7.040 12.637 -0.096 1.00 34.25 C ATOM 2009 CG LEU B 119 7.614 12.699 -1.515 1.00 75.05 C ATOM 2010 CD1 LEU B 119 6.523 12.465 -2.539 1.00 73.24 C ATOM 2011 CD2 LEU B 119 8.260 14.051 -1.760 1.00 30.33 C ATOM 0 H LEU B 119 8.497 10.699 0.737 1.00 43.52 H new ATOM 0 HA LEU B 119 8.704 13.594 0.845 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.494 11.700 0.013 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.315 13.443 0.017 1.00 34.25 H new ATOM 0 HG LEU B 119 8.367 11.917 -1.615 1.00 75.05 H new ATOM 0 HD11 LEU B 119 6.949 12.513 -3.541 1.00 73.24 H new ATOM 0 HD12 LEU B 119 6.079 11.482 -2.380 1.00 73.24 H new ATOM 0 HD13 LEU B 119 5.755 13.231 -2.434 1.00 73.24 H new ATOM 0 HD21 LEU B 119 8.664 14.083 -2.772 1.00 30.33 H new ATOM 0 HD22 LEU B 119 7.514 14.837 -1.642 1.00 30.33 H new ATOM 0 HD23 LEU B 119 9.066 14.205 -1.042 1.00 30.33 H new ATOM 2022 N ASN B 120 7.444 11.960 3.240 1.00 23.44 N ATOM 2023 CA ASN B 120 6.806 11.913 4.558 1.00 34.54 C ATOM 2024 C ASN B 120 5.346 12.287 4.463 1.00 23.31 C ATOM 2025 O ASN B 120 4.955 13.427 4.705 1.00 53.04 O ATOM 2026 CB ASN B 120 7.553 12.740 5.618 1.00 0.13 C ATOM 2027 CG ASN B 120 6.972 12.571 7.016 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.112 13.335 7.451 1.00 41.33 O ATOM 2029 ND2 ASN B 120 7.412 11.564 7.718 1.00 61.11 N ATOM 0 H ASN B 120 7.988 11.121 3.038 1.00 23.44 H new ATOM 0 HA ASN B 120 6.864 10.881 4.903 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.603 12.446 5.628 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.519 13.794 5.340 1.00 0.13 H new ATOM 0 HD21 ASN B 120 7.042 11.394 8.653 1.00 61.11 H new ATOM 0 HD22 ASN B 120 8.126 10.946 7.332 1.00 61.11 H new ATOM 2036 N THR B 121 4.573 11.368 3.970 1.00 45.02 N ATOM 2037 CA THR B 121 3.161 11.558 3.777 1.00 24.13 C ATOM 2038 C THR B 121 2.485 10.182 3.886 1.00 75.14 C ATOM 2039 O THR B 121 3.079 9.176 3.461 1.00 45.22 O ATOM 2040 CB THR B 121 2.909 12.155 2.355 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.774 13.281 2.147 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.477 12.622 2.201 1.00 53.13 C ATOM 0 H THR B 121 4.908 10.448 3.684 1.00 45.02 H new ATOM 0 HA THR B 121 2.757 12.242 4.524 1.00 24.13 H new ATOM 0 HB THR B 121 3.109 11.372 1.624 1.00 33.24 H new ATOM 0 HG1 THR B 121 3.248 14.042 1.823 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.334 13.032 1.201 1.00 53.13 H new ATOM 0 HG22 THR B 121 0.802 11.779 2.348 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.263 13.392 2.943 1.00 53.13 H new ATOM 2050 N PRO B 122 1.298 10.089 4.523 1.00 2.53 N ATOM 2051 CA PRO B 122 0.550 8.833 4.619 1.00 62.14 C ATOM 2052 C PRO B 122 0.209 8.276 3.233 1.00 22.43 C ATOM 2053 O PRO B 122 -0.088 9.036 2.304 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.738 9.220 5.367 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.804 10.708 5.299 1.00 3.21 C ATOM 2056 CD PRO B 122 0.611 11.183 5.231 1.00 22.03 C ATOM 0 HA PRO B 122 1.123 8.055 5.124 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.613 8.766 4.902 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.711 8.875 6.401 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.367 11.034 4.424 1.00 3.21 H new ATOM 0 HG3 PRO B 122 -1.310 11.116 6.174 1.00 3.21 H new ATOM 0 HD2 PRO B 122 0.694 12.127 4.692 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.030 11.346 6.224 1.00 22.03 H new ATOM 2064 N LEU B 123 0.244 6.957 3.112 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.010 6.255 1.849 1.00 13.13 C ATOM 2066 C LEU B 123 -1.342 6.635 1.241 1.00 71.12 C ATOM 2067 O LEU B 123 -1.426 6.848 0.045 1.00 53.41 O ATOM 2068 CB LEU B 123 0.038 4.735 2.050 1.00 34.12 C ATOM 2069 CG LEU B 123 1.393 4.135 2.418 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.240 2.670 2.769 1.00 13.21 C ATOM 2071 CD2 LEU B 123 2.383 4.310 1.280 1.00 35.04 C ATOM 0 H LEU B 123 0.451 6.332 3.891 1.00 62.42 H new ATOM 0 HA LEU B 123 0.779 6.560 1.161 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -0.674 4.472 2.832 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.307 4.259 1.132 1.00 34.12 H new ATOM 0 HG LEU B 123 1.780 4.663 3.290 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.214 2.255 3.029 1.00 13.21 H new ATOM 0 HD12 LEU B 123 0.563 2.568 3.617 1.00 13.21 H new ATOM 0 HD13 LEU B 123 0.833 2.131 1.913 1.00 13.21 H new ATOM 0 HD21 LEU B 123 3.342 3.876 1.562 1.00 35.04 H new ATOM 0 HD22 LEU B 123 2.006 3.808 0.389 1.00 35.04 H new ATOM 0 HD23 LEU B 123 2.513 5.372 1.071 1.00 35.04 H new ATOM 2082 N GLU B 124 -2.359 6.762 2.083 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.716 7.074 1.635 1.00 25.13 C ATOM 2084 C GLU B 124 -3.807 8.489 1.066 1.00 23.31 C ATOM 2085 O GLU B 124 -4.706 8.804 0.285 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.699 6.925 2.794 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.565 5.613 3.540 1.00 63.30 C ATOM 2088 CD GLU B 124 -5.620 5.421 4.593 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -5.738 6.270 5.496 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -6.345 4.410 4.547 1.00 71.30 O ATOM 0 H GLU B 124 -2.271 6.653 3.093 1.00 41.15 H new ATOM 0 HA GLU B 124 -3.973 6.371 0.843 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.550 7.748 3.493 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.716 7.013 2.411 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -4.618 4.790 2.827 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -3.581 5.567 4.007 1.00 63.30 H new ATOM 2097 N ASP B 125 -2.946 9.360 1.542 1.00 34.01 N ATOM 2098 CA ASP B 125 -2.909 10.718 1.046 1.00 63.41 C ATOM 2099 C ASP B 125 -2.294 10.757 -0.348 1.00 42.14 C ATOM 2100 O ASP B 125 -2.795 11.432 -1.251 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.171 11.641 2.013 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.358 13.102 1.676 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.482 13.631 1.893 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -1.402 13.760 1.266 1.00 14.52 O ATOM 0 H ASP B 125 -2.263 9.153 2.271 1.00 34.01 H new ATOM 0 HA ASP B 125 -3.933 11.085 0.973 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.525 11.457 3.027 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -1.108 11.401 1.999 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.209 9.988 -0.505 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.449 9.940 -1.755 1.00 73.13 C ATOM 2111 C ILE B 126 -1.235 9.195 -2.818 1.00 51.12 C ATOM 2112 O ILE B 126 -1.419 9.681 -3.934 1.00 44.15 O ATOM 2113 CB ILE B 126 0.947 9.289 -1.591 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.706 9.961 -0.447 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.737 9.422 -2.896 1.00 14.41 C ATOM 2116 CD1 ILE B 126 3.079 9.390 -0.197 1.00 50.54 C ATOM 0 H ILE B 126 -0.837 9.385 0.229 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.289 10.974 -2.060 1.00 73.13 H new ATOM 0 HB ILE B 126 0.823 8.232 -1.357 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.801 11.025 -0.665 1.00 75.01 H new ATOM 0 HG13 ILE B 126 1.117 9.874 0.466 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.718 8.963 -2.776 1.00 14.41 H new ATOM 0 HG22 ILE B 126 1.198 8.921 -3.700 1.00 14.41 H new ATOM 0 HG23 ILE B 126 1.858 10.477 -3.142 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.549 9.922 0.630 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.993 8.333 0.054 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.688 9.502 -1.094 1.00 50.54 H new ATOM 2128 N PHE B 127 -1.679 8.009 -2.484 1.00 35.15 N ATOM 2129 CA PHE B 127 -2.488 7.256 -3.385 1.00 22.52 C ATOM 2130 C PHE B 127 -3.846 7.175 -2.773 1.00 61.31 C ATOM 2131 O PHE B 127 -3.975 6.888 -1.597 1.00 64.35 O ATOM 2132 CB PHE B 127 -1.906 5.832 -3.576 1.00 0.12 C ATOM 2133 CG PHE B 127 -0.519 5.815 -4.151 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -0.324 5.820 -5.518 1.00 71.31 C ATOM 2135 CD2 PHE B 127 0.592 5.803 -3.321 1.00 50.52 C ATOM 2136 CE1 PHE B 127 0.949 5.813 -6.049 1.00 50.13 C ATOM 2137 CE2 PHE B 127 1.865 5.795 -3.847 1.00 53.10 C ATOM 2138 CZ PHE B 127 2.044 5.802 -5.213 1.00 22.32 C ATOM 0 H PHE B 127 -1.489 7.551 -1.592 1.00 35.15 H new ATOM 0 HA PHE B 127 -2.523 7.731 -4.366 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -1.896 5.322 -2.613 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -2.567 5.264 -4.231 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -1.178 5.830 -6.179 1.00 71.31 H new ATOM 0 HD2 PHE B 127 0.457 5.800 -2.249 1.00 50.52 H new ATOM 0 HE1 PHE B 127 1.087 5.816 -7.120 1.00 50.13 H new ATOM 0 HE2 PHE B 127 2.722 5.783 -3.189 1.00 53.10 H new ATOM 0 HZ PHE B 127 3.041 5.799 -5.628 1.00 22.32 H new ATOM 2148 N GLN B 128 -4.842 7.337 -3.558 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.164 7.366 -3.047 1.00 2.15 C ATOM 2150 C GLN B 128 -6.968 6.285 -3.684 1.00 41.21 C ATOM 2151 O GLN B 128 -7.061 6.190 -4.908 1.00 54.12 O ATOM 2152 CB GLN B 128 -6.782 8.743 -3.316 1.00 43.12 C ATOM 2153 CG GLN B 128 -8.179 8.947 -2.761 1.00 54.21 C ATOM 2154 CD GLN B 128 -8.721 10.312 -3.119 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -8.550 11.287 -2.386 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -9.364 10.399 -4.250 1.00 41.41 N ATOM 0 H GLN B 128 -4.769 7.453 -4.569 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.153 7.196 -1.970 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.127 9.505 -2.895 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -6.810 8.906 -4.393 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -8.843 8.176 -3.152 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.162 8.834 -1.677 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -9.487 9.570 -4.832 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -9.744 11.296 -4.553 1.00 41.41 H new ATOM 2165 N TRP B 129 -7.535 5.481 -2.880 1.00 13.44 N ATOM 2166 CA TRP B 129 -8.355 4.430 -3.344 1.00 61.35 C ATOM 2167 C TRP B 129 -9.768 4.696 -2.986 1.00 61.52 C ATOM 2168 O TRP B 129 -10.070 5.089 -1.857 1.00 24.43 O ATOM 2169 CB TRP B 129 -7.879 3.077 -2.830 1.00 14.01 C ATOM 2170 CG TRP B 129 -7.505 3.037 -1.373 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -8.336 2.878 -0.301 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -6.177 3.118 -0.841 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -7.605 2.877 0.857 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -6.279 3.019 0.551 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.910 3.273 -1.419 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -5.166 3.064 1.380 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -3.809 3.319 -0.595 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.942 3.215 0.790 1.00 31.53 C ATOM 0 H TRP B 129 -7.445 5.530 -1.865 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.283 4.387 -4.431 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.665 2.343 -3.006 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.015 2.767 -3.418 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -9.409 2.769 -0.358 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -7.988 2.785 1.798 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -4.800 3.355 -2.490 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -5.264 2.983 2.452 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.826 3.437 -1.027 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -3.058 3.255 1.410 1.00 31.53 H new ATOM 2189 N GLN B 130 -10.622 4.546 -3.943 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.016 4.754 -3.739 1.00 11.44 C ATOM 2191 C GLN B 130 -12.784 3.549 -4.192 1.00 30.22 C ATOM 2192 O GLN B 130 -13.026 3.365 -5.385 1.00 33.31 O ATOM 2193 CB GLN B 130 -12.514 6.040 -4.425 1.00 44.22 C ATOM 2194 CG GLN B 130 -11.938 7.329 -3.824 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.330 7.564 -2.355 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -12.577 6.631 -1.581 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -12.379 8.796 -1.958 1.00 53.21 N ATOM 0 H GLN B 130 -10.371 4.274 -4.893 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.188 4.892 -2.671 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.257 5.998 -5.484 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -13.602 6.076 -4.362 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -10.851 7.299 -3.899 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -12.275 8.178 -4.419 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -12.172 9.551 -2.612 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -12.625 9.011 -0.992 1.00 53.21 H new ATOM 2206 N PRO B 131 -13.121 2.658 -3.245 1.00 63.05 N ATOM 2207 CA PRO B 131 -13.908 1.457 -3.523 1.00 13.14 C ATOM 2208 C PRO B 131 -15.373 1.811 -3.732 1.00 44.11 C ATOM 2209 O PRO B 131 -16.190 0.974 -4.139 1.00 4.41 O ATOM 2210 CB PRO B 131 -13.745 0.603 -2.244 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.681 1.285 -1.442 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.736 2.727 -1.826 1.00 62.43 C ATOM 0 HA PRO B 131 -13.580 0.942 -4.426 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -14.681 0.547 -1.688 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -13.458 -0.420 -2.489 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.857 1.159 -0.374 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.700 0.862 -1.656 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.465 3.278 -1.233 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -11.774 3.222 -1.689 1.00 62.43 H new