USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1146 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 71 ASN : amide:sc= 0.321 K(o=1.5,f=2) USER MOD Set 1.2: B 128 GLN : amide:sc= 1.19 K(o=1.5,f=2) USER MOD Set 2.1: A 29 GLN : amide:sc= 0.281 K(o=0.68,f=-4.3!) USER MOD Set 2.2: A 30 THR OG1 : rot -21:sc= 0.401 USER MOD Set 3.1: A 17 GLN : amide:sc= -0.931! K(o=-2.6!,f=0.63) USER MOD Set 3.2: A 32 ASN : amide:sc= -1.63! K(o=-2.6!,f=1.6) USER MOD Set 4.1: A 5 ASN : amide:sc= 0.773 K(o=1.1,f=-0.44) USER MOD Set 4.2: A 62 GLN : amide:sc= 0.361 K(o=1.1,f=-1.2!) USER MOD Set 5.1: A 4 ASN : amide:sc= 0.534 K(o=1.3,f=-12!) USER MOD Set 5.2: A 37 ASN : amide:sc= 0.792 K(o=1.3,f=-12!) USER MOD Set 6.1: A 1 MET CE :methyl -105:sc= -0.147 (180deg=-2.29!) USER MOD Set 6.2: A 64 GLN : amide:sc= 0 K(o=-0.15,f=-1.2) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.74 (180deg=-0.25) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 130:sc= 1.18 (180deg=0.601) USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= 1.71 (180deg=1.06) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -0.0957 (180deg=-0.451) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 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= -0.487 K(o=-0.49,f=-3.5!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.269 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0.837 (180deg=0.688) 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= -0.343 K(o=-0.34,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot -6:sc= 0.169 USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -0.855 K(o=-0.86,f=-12!) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.17) USER MOD Single : B 79 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.016) USER MOD Single : B 80 LYS NZ :NH3+ -167:sc=-0.00406 (180deg=-0.141) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 84 SER OG : rot 180:sc= 0.728 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 96 THR OG1 : rot 180:sc= -0.534 USER MOD Single : B 98 ASN : amide:sc= -0.774 K(o=-0.77,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= -0.394 K(o=-0.39,f=-2.8!) USER MOD Single : B 104 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0039) USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc=-0.00359 K(o=-0.0036,f=-0.73) USER MOD Single : B 108 SER OG : rot -116:sc= -1.1 USER MOD Single : B 110 GLN : amide:sc= -0.548 K(o=-0.55,f=-3.8!) 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 -117:sc= 0.273 USER MOD Single : B 120 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 121 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : B 130 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.765 -4.449 6.044 1.00 4.52 N ATOM 2 CA MET A 1 12.140 -5.647 6.550 1.00 15.43 C ATOM 3 C MET A 1 10.649 -5.410 6.571 1.00 54.41 C ATOM 4 O MET A 1 10.207 -4.320 6.943 1.00 33.23 O ATOM 5 CB MET A 1 12.630 -5.957 7.965 1.00 32.24 C ATOM 6 CG MET A 1 12.112 -7.281 8.515 1.00 0.23 C ATOM 7 SD MET A 1 12.610 -7.583 10.219 1.00 54.32 S ATOM 8 CE MET A 1 11.739 -6.266 11.051 1.00 74.51 C ATOM 0 H1 MET A 1 13.625 -4.248 6.593 1.00 4.52 H new ATOM 0 H2 MET A 1 13.016 -4.584 5.044 1.00 4.52 H new ATOM 0 H3 MET A 1 12.105 -3.650 6.130 1.00 4.52 H new ATOM 0 HA MET A 1 12.393 -6.495 5.914 1.00 15.43 H new ATOM 0 HB2 MET A 1 13.720 -5.974 7.967 1.00 32.24 H new ATOM 0 HB3 MET A 1 12.322 -5.151 8.632 1.00 32.24 H new ATOM 0 HG2 MET A 1 11.024 -7.292 8.454 1.00 0.23 H new ATOM 0 HG3 MET A 1 12.475 -8.095 7.887 1.00 0.23 H new ATOM 0 HE1 MET A 1 12.444 -5.483 11.330 1.00 74.51 H new ATOM 0 HE2 MET A 1 10.982 -5.852 10.384 1.00 74.51 H new ATOM 0 HE3 MET A 1 11.258 -6.657 11.947 1.00 74.51 H new ATOM 20 N ILE A 2 9.886 -6.375 6.140 1.00 22.43 N ATOM 21 CA ILE A 2 8.446 -6.266 6.199 1.00 32.41 C ATOM 22 C ILE A 2 7.940 -7.034 7.414 1.00 45.13 C ATOM 23 O ILE A 2 8.360 -8.176 7.661 1.00 32.11 O ATOM 24 CB ILE A 2 7.764 -6.791 4.894 1.00 73.54 C ATOM 25 CG1 ILE A 2 8.250 -5.988 3.667 1.00 72.41 C ATOM 26 CG2 ILE A 2 6.233 -6.742 4.995 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.970 -4.494 3.738 1.00 54.01 C ATOM 0 H ILE A 2 10.232 -7.248 5.743 1.00 22.43 H new ATOM 0 HA ILE A 2 8.183 -5.212 6.289 1.00 32.41 H new ATOM 0 HB ILE A 2 8.054 -7.834 4.769 1.00 73.54 H new ATOM 0 HG12 ILE A 2 9.323 -6.138 3.552 1.00 72.41 H new ATOM 0 HG13 ILE A 2 7.774 -6.392 2.773 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.795 -7.115 4.069 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.903 -7.363 5.828 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.912 -5.713 5.160 1.00 51.03 H new ATOM 0 HD11 ILE A 2 8.345 -4.010 2.836 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.896 -4.329 3.819 1.00 54.01 H new ATOM 0 HD13 ILE A 2 8.469 -4.071 4.610 1.00 54.01 H new ATOM 39 N ILE A 3 7.082 -6.409 8.173 1.00 31.31 N ATOM 40 CA ILE A 3 6.519 -6.990 9.373 1.00 25.12 C ATOM 41 C ILE A 3 5.037 -7.203 9.114 1.00 13.31 C ATOM 42 O ILE A 3 4.363 -6.290 8.625 1.00 33.20 O ATOM 43 CB ILE A 3 6.688 -6.031 10.589 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.163 -5.643 10.767 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.139 -6.668 11.867 1.00 51.22 C ATOM 46 CD1 ILE A 3 8.419 -4.672 11.899 1.00 2.41 C ATOM 0 H ILE A 3 6.745 -5.466 7.977 1.00 31.31 H new ATOM 0 HA ILE A 3 7.028 -7.925 9.607 1.00 25.12 H new ATOM 0 HB ILE A 3 6.115 -5.125 10.391 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.746 -6.547 10.941 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.526 -5.204 9.838 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.269 -5.979 12.702 1.00 51.22 H new ATOM 0 HG22 ILE A 3 5.079 -6.887 11.738 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.678 -7.593 12.073 1.00 51.22 H new ATOM 0 HD11 ILE A 3 9.485 -4.451 11.955 1.00 2.41 H new ATOM 0 HD12 ILE A 3 7.866 -3.750 11.719 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.090 -5.115 12.839 1.00 2.41 H new ATOM 58 N ASN A 4 4.531 -8.382 9.381 1.00 20.22 N ATOM 59 CA ASN A 4 3.129 -8.680 9.141 1.00 24.23 C ATOM 60 C ASN A 4 2.388 -8.560 10.461 1.00 32.00 C ATOM 61 O ASN A 4 2.754 -9.216 11.453 1.00 60.31 O ATOM 62 CB ASN A 4 3.017 -10.134 8.620 1.00 41.35 C ATOM 63 CG ASN A 4 1.605 -10.589 8.251 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.625 -10.097 8.756 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.510 -11.572 7.404 1.00 33.01 N ATOM 0 H ASN A 4 5.068 -9.159 9.767 1.00 20.22 H new ATOM 0 HA ASN A 4 2.705 -7.993 8.409 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.655 -10.238 7.743 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.410 -10.807 9.382 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.593 -11.943 7.154 1.00 33.01 H new ATOM 0 HD22 ASN A 4 2.352 -11.972 6.990 1.00 33.01 H new ATOM 72 N ASN A 5 1.379 -7.727 10.490 1.00 65.43 N ATOM 73 CA ASN A 5 0.567 -7.550 11.680 1.00 54.20 C ATOM 74 C ASN A 5 -0.880 -7.883 11.363 1.00 74.31 C ATOM 75 O ASN A 5 -1.774 -7.612 12.146 1.00 70.34 O ATOM 76 CB ASN A 5 0.665 -6.113 12.223 1.00 72.22 C ATOM 77 CG ASN A 5 2.061 -5.695 12.667 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.865 -6.510 13.150 1.00 62.01 O ATOM 79 ND2 ASN A 5 2.363 -4.429 12.492 1.00 62.53 N ATOM 0 H ASN A 5 1.093 -7.152 9.697 1.00 65.43 H new ATOM 0 HA ASN A 5 0.943 -8.224 12.450 1.00 54.20 H new ATOM 0 HB2 ASN A 5 0.322 -5.423 11.452 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.016 -6.011 13.068 1.00 72.22 H new ATOM 0 HD21 ASN A 5 3.286 -4.084 12.756 1.00 62.53 H new ATOM 0 HD22 ASN A 5 1.675 -3.791 12.092 1.00 62.53 H new ATOM 86 N LEU A 6 -1.090 -8.542 10.231 1.00 31.42 N ATOM 87 CA LEU A 6 -2.427 -8.895 9.749 1.00 41.12 C ATOM 88 C LEU A 6 -3.131 -9.788 10.764 1.00 32.41 C ATOM 89 O LEU A 6 -4.316 -9.615 11.031 1.00 15.34 O ATOM 90 CB LEU A 6 -2.330 -9.549 8.328 1.00 22.14 C ATOM 91 CG LEU A 6 -3.632 -9.950 7.574 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.258 -11.221 8.124 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.637 -8.817 7.602 1.00 33.32 C ATOM 0 H LEU A 6 -0.337 -8.850 9.616 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.033 -7.995 9.645 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.783 -8.857 7.688 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -1.719 -10.447 8.423 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.346 -10.152 6.542 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.162 -11.454 7.562 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -3.550 -12.045 8.031 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -4.511 -11.077 9.174 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.539 -9.118 7.070 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -4.888 -8.579 8.636 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -4.208 -7.938 7.121 1.00 33.32 H new ATOM 105 N LYS A 7 -2.391 -10.710 11.353 1.00 14.34 N ATOM 106 CA LYS A 7 -2.948 -11.590 12.366 1.00 42.10 C ATOM 107 C LYS A 7 -3.403 -10.789 13.596 1.00 53.11 C ATOM 108 O LYS A 7 -4.497 -11.011 14.114 1.00 74.22 O ATOM 109 CB LYS A 7 -1.965 -12.721 12.742 1.00 5.41 C ATOM 110 CG LYS A 7 -0.599 -12.242 13.199 1.00 35.52 C ATOM 111 CD LYS A 7 0.321 -13.381 13.605 1.00 25.45 C ATOM 112 CE LYS A 7 -0.229 -14.162 14.787 1.00 12.21 C ATOM 113 NZ LYS A 7 0.711 -15.204 15.243 1.00 61.12 N ATOM 0 H LYS A 7 -1.405 -10.869 11.148 1.00 14.34 H new ATOM 0 HA LYS A 7 -3.830 -12.071 11.944 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -2.409 -13.322 13.535 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -1.837 -13.375 11.880 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.132 -11.673 12.396 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -0.721 -11.562 14.042 1.00 35.52 H new ATOM 0 HD2 LYS A 7 0.460 -14.054 12.759 1.00 25.45 H new ATOM 0 HD3 LYS A 7 1.303 -12.981 13.859 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -0.439 -13.477 15.609 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -1.176 -14.624 14.508 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 0.299 -15.714 16.050 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 0.892 -15.872 14.467 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 1.606 -14.761 15.534 1.00 61.12 H new ATOM 127 N LEU A 8 -2.575 -9.829 14.015 1.00 3.54 N ATOM 128 CA LEU A 8 -2.874 -8.947 15.137 1.00 24.22 C ATOM 129 C LEU A 8 -4.129 -8.110 14.818 1.00 33.32 C ATOM 130 O LEU A 8 -5.023 -7.981 15.652 1.00 35.35 O ATOM 131 CB LEU A 8 -1.626 -8.050 15.420 1.00 15.15 C ATOM 132 CG LEU A 8 -1.556 -7.233 16.741 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.552 -6.083 16.789 1.00 50.24 C ATOM 134 CD2 LEU A 8 -1.732 -8.146 17.943 1.00 34.11 C ATOM 0 H LEU A 8 -1.672 -9.643 13.579 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.088 -9.525 16.036 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -0.747 -8.693 15.386 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -1.536 -7.344 14.594 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.564 -6.782 16.774 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.451 -5.554 17.737 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.354 -5.396 15.967 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.565 -6.475 16.698 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -1.680 -7.556 18.858 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -2.701 -8.641 17.885 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -0.941 -8.896 17.949 1.00 34.11 H new ATOM 146 N ILE A 9 -4.199 -7.583 13.605 1.00 72.34 N ATOM 147 CA ILE A 9 -5.348 -6.784 13.158 1.00 55.53 C ATOM 148 C ILE A 9 -6.614 -7.632 13.068 1.00 3.21 C ATOM 149 O ILE A 9 -7.708 -7.177 13.440 1.00 40.20 O ATOM 150 CB ILE A 9 -5.065 -5.979 11.833 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.279 -4.683 12.128 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.351 -5.641 11.076 1.00 15.31 C ATOM 153 CD1 ILE A 9 -2.934 -4.857 12.781 1.00 1.24 C ATOM 0 H ILE A 9 -3.469 -7.692 12.900 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.518 -6.027 13.924 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.461 -6.628 11.199 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.138 -4.147 11.190 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -4.892 -4.049 12.769 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.105 -5.086 10.170 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -6.868 -6.562 10.808 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -6.997 -5.033 11.709 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.477 -3.880 12.939 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.058 -5.359 13.741 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.292 -5.458 12.137 1.00 1.24 H new ATOM 165 N ARG A 10 -6.464 -8.866 12.622 1.00 23.44 N ATOM 166 CA ARG A 10 -7.579 -9.786 12.606 1.00 2.23 C ATOM 167 C ARG A 10 -8.081 -10.046 14.000 1.00 61.23 C ATOM 168 O ARG A 10 -9.244 -10.342 14.177 1.00 0.10 O ATOM 169 CB ARG A 10 -7.269 -11.112 11.945 1.00 24.15 C ATOM 170 CG ARG A 10 -7.326 -11.124 10.435 1.00 71.12 C ATOM 171 CD ARG A 10 -7.389 -12.560 9.961 1.00 32.20 C ATOM 172 NE ARG A 10 -8.495 -13.258 10.642 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.523 -14.543 10.999 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.632 -15.399 10.538 1.00 64.25 N ATOM 175 NH2 ARG A 10 -9.483 -14.966 11.816 1.00 51.23 N ATOM 0 H ARG A 10 -5.587 -9.249 12.269 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.346 -9.294 12.008 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.272 -11.426 12.255 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -7.970 -11.857 12.322 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.199 -10.573 10.086 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -6.449 -10.628 10.020 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.536 -12.591 8.881 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.445 -13.064 10.169 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.322 -12.703 10.862 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -6.905 -15.082 9.897 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.670 -16.378 10.823 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -10.185 -14.311 12.161 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -9.518 -15.946 12.098 1.00 51.23 H new ATOM 189 N GLU A 11 -7.173 -10.049 14.966 1.00 3.43 N ATOM 190 CA GLU A 11 -7.522 -10.150 16.367 1.00 32.25 C ATOM 191 C GLU A 11 -8.175 -8.867 16.919 1.00 23.22 C ATOM 192 O GLU A 11 -8.996 -8.925 17.841 1.00 24.24 O ATOM 193 CB GLU A 11 -6.348 -10.628 17.200 1.00 73.21 C ATOM 194 CG GLU A 11 -5.901 -12.026 16.797 1.00 31.54 C ATOM 195 CD GLU A 11 -4.898 -12.611 17.732 1.00 75.21 C ATOM 196 OE1 GLU A 11 -5.244 -12.834 18.903 1.00 52.20 O ATOM 197 OE2 GLU A 11 -3.755 -12.897 17.318 1.00 73.43 O ATOM 0 H GLU A 11 -6.170 -9.981 14.794 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.294 -10.916 16.446 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -5.516 -9.934 17.087 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -6.625 -10.625 18.254 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -6.772 -12.680 16.751 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.476 -11.990 15.794 1.00 31.54 H new ATOM 204 N LYS A 12 -7.744 -7.707 16.406 1.00 12.34 N ATOM 205 CA LYS A 12 -8.370 -6.408 16.756 1.00 0.30 C ATOM 206 C LYS A 12 -9.865 -6.409 16.411 1.00 41.03 C ATOM 207 O LYS A 12 -10.693 -5.861 17.147 1.00 70.21 O ATOM 208 CB LYS A 12 -7.644 -5.239 16.048 1.00 31.15 C ATOM 209 CG LYS A 12 -6.220 -5.014 16.552 1.00 63.14 C ATOM 210 CD LYS A 12 -5.469 -3.910 15.795 1.00 63.03 C ATOM 211 CE LYS A 12 -6.203 -2.575 15.814 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.346 -1.470 15.327 1.00 22.43 N ATOM 0 H LYS A 12 -6.968 -7.633 15.749 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.272 -6.267 17.832 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -7.615 -5.435 14.976 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.220 -4.325 16.189 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.254 -4.758 17.611 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -5.662 -5.946 16.467 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.480 -3.782 16.236 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.319 -4.222 14.761 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -7.097 -2.643 15.194 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.535 -2.357 16.829 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.858 -0.926 14.603 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -5.101 -0.845 16.121 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.476 -1.862 14.914 1.00 22.43 H new ATOM 226 N LYS A 13 -10.195 -7.033 15.318 1.00 11.23 N ATOM 227 CA LYS A 13 -11.579 -7.267 14.940 1.00 71.54 C ATOM 228 C LYS A 13 -11.787 -8.758 15.150 1.00 62.41 C ATOM 229 O LYS A 13 -11.009 -9.344 15.887 1.00 22.21 O ATOM 230 CB LYS A 13 -11.804 -6.834 13.477 1.00 24.24 C ATOM 231 CG LYS A 13 -11.418 -5.370 13.231 1.00 24.13 C ATOM 232 CD LYS A 13 -12.146 -4.446 14.206 1.00 4.22 C ATOM 233 CE LYS A 13 -11.613 -3.021 14.178 1.00 44.25 C ATOM 234 NZ LYS A 13 -11.866 -2.331 12.902 1.00 54.41 N ATOM 0 H LYS A 13 -9.515 -7.400 14.652 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.294 -6.691 15.528 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.220 -7.476 12.818 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -12.852 -6.979 13.216 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.341 -5.249 13.344 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -11.664 -5.092 12.206 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.209 -4.436 13.965 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.052 -4.844 15.216 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -12.071 -2.453 14.988 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -10.540 -3.038 14.368 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -11.061 -1.712 12.677 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -11.985 -3.034 12.145 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -12.731 -1.759 12.982 1.00 54.41 H new ATOM 248 N LYS A 14 -12.807 -9.403 14.637 1.00 71.43 N ATOM 249 CA LYS A 14 -12.833 -10.848 14.743 1.00 32.42 C ATOM 250 C LYS A 14 -13.560 -11.441 13.547 1.00 13.24 C ATOM 251 O LYS A 14 -14.740 -11.791 13.607 1.00 5.54 O ATOM 252 CB LYS A 14 -13.419 -11.319 16.099 1.00 73.24 C ATOM 253 CG LYS A 14 -14.762 -10.706 16.453 1.00 40.21 C ATOM 254 CD LYS A 14 -15.199 -11.093 17.845 1.00 43.22 C ATOM 255 CE LYS A 14 -16.518 -10.440 18.204 1.00 70.42 C ATOM 256 NZ LYS A 14 -16.442 -8.967 18.130 1.00 23.43 N ATOM 0 H LYS A 14 -13.601 -8.976 14.160 1.00 71.43 H new ATOM 0 HA LYS A 14 -11.808 -11.219 14.725 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -13.524 -12.404 16.078 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -12.707 -11.083 16.890 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -14.698 -9.620 16.380 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -15.512 -11.030 15.732 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -15.296 -12.177 17.911 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -14.436 -10.797 18.565 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.296 -10.798 17.529 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -16.808 -10.738 19.211 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -17.253 -8.552 18.632 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -15.558 -8.642 18.572 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.461 -8.668 17.134 1.00 23.43 H new ATOM 270 N ILE A 15 -12.874 -11.475 12.446 1.00 13.13 N ATOM 271 CA ILE A 15 -13.414 -11.958 11.197 1.00 43.54 C ATOM 272 C ILE A 15 -12.407 -12.947 10.638 1.00 51.30 C ATOM 273 O ILE A 15 -11.210 -12.658 10.647 1.00 65.41 O ATOM 274 CB ILE A 15 -13.610 -10.777 10.187 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.509 -9.678 10.796 1.00 24.32 C ATOM 276 CG2 ILE A 15 -14.208 -11.280 8.880 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.707 -8.460 9.909 1.00 1.24 C ATOM 0 H ILE A 15 -11.905 -11.164 12.381 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.387 -12.424 11.355 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.630 -10.347 9.979 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.484 -10.109 11.022 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -14.075 -9.355 11.743 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -14.336 -10.444 8.193 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.540 -12.017 8.434 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -15.177 -11.740 9.076 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -15.351 -7.741 10.416 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.741 -7.999 9.702 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -15.172 -8.765 8.971 1.00 1.24 H new ATOM 289 N SER A 16 -12.862 -14.077 10.151 1.00 2.42 N ATOM 290 CA SER A 16 -11.961 -15.101 9.699 1.00 41.31 C ATOM 291 C SER A 16 -11.748 -15.008 8.176 1.00 13.21 C ATOM 292 O SER A 16 -12.388 -14.178 7.508 1.00 35.13 O ATOM 293 CB SER A 16 -12.478 -16.460 10.137 1.00 43.33 C ATOM 294 OG SER A 16 -12.614 -16.523 11.557 1.00 71.34 O ATOM 0 H SER A 16 -13.851 -14.307 10.059 1.00 2.42 H new ATOM 0 HA SER A 16 -10.981 -14.957 10.155 1.00 41.31 H new ATOM 0 HB2 SER A 16 -13.442 -16.655 9.667 1.00 43.33 H new ATOM 0 HB3 SER A 16 -11.795 -17.239 9.799 1.00 43.33 H new ATOM 0 HG SER A 16 -12.950 -17.407 11.815 1.00 71.34 H new ATOM 300 N GLN A 17 -10.880 -15.864 7.627 1.00 45.12 N ATOM 301 CA GLN A 17 -10.488 -15.752 6.222 1.00 65.34 C ATOM 302 C GLN A 17 -11.599 -15.971 5.212 1.00 13.44 C ATOM 303 O GLN A 17 -11.592 -15.325 4.184 1.00 12.11 O ATOM 304 CB GLN A 17 -9.231 -16.539 5.854 1.00 30.22 C ATOM 305 CG GLN A 17 -9.210 -17.971 6.309 1.00 4.43 C ATOM 306 CD GLN A 17 -8.044 -18.734 5.731 1.00 53.31 C ATOM 307 OE1 GLN A 17 -8.166 -19.403 4.703 1.00 72.33 O ATOM 308 NE2 GLN A 17 -6.891 -18.543 6.287 1.00 45.23 N ATOM 0 H GLN A 17 -10.440 -16.635 8.130 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.233 -14.695 6.145 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -9.114 -16.518 4.770 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.366 -16.028 6.278 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -9.160 -18.004 7.397 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.141 -18.457 6.017 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -6.821 -17.984 7.138 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -6.052 -18.951 5.875 1.00 45.23 H new ATOM 317 N SER A 18 -12.554 -16.850 5.479 1.00 55.44 N ATOM 318 CA SER A 18 -13.630 -17.073 4.524 1.00 52.11 C ATOM 319 C SER A 18 -14.500 -15.825 4.400 1.00 62.21 C ATOM 320 O SER A 18 -14.861 -15.409 3.291 1.00 10.02 O ATOM 321 CB SER A 18 -14.472 -18.259 4.957 1.00 45.03 C ATOM 322 OG SER A 18 -13.660 -19.400 5.166 1.00 21.34 O ATOM 0 H SER A 18 -12.607 -17.410 6.330 1.00 55.44 H new ATOM 0 HA SER A 18 -13.193 -17.288 3.549 1.00 52.11 H new ATOM 0 HB2 SER A 18 -15.008 -18.015 5.874 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.223 -18.475 4.197 1.00 45.03 H new ATOM 0 HG SER A 18 -14.220 -20.153 5.446 1.00 21.34 H new ATOM 328 N GLU A 19 -14.806 -15.226 5.542 1.00 50.43 N ATOM 329 CA GLU A 19 -15.593 -14.021 5.584 1.00 3.23 C ATOM 330 C GLU A 19 -14.823 -12.899 4.918 1.00 41.23 C ATOM 331 O GLU A 19 -15.380 -12.129 4.137 1.00 11.14 O ATOM 332 CB GLU A 19 -15.967 -13.613 7.020 1.00 33.34 C ATOM 333 CG GLU A 19 -16.631 -14.693 7.868 1.00 42.23 C ATOM 334 CD GLU A 19 -15.649 -15.625 8.552 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.040 -16.496 7.883 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.478 -15.516 9.783 1.00 64.25 O ATOM 0 H GLU A 19 -14.513 -15.567 6.458 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.524 -14.215 5.051 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -15.062 -13.283 7.530 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.637 -12.754 6.970 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.253 -14.216 8.626 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.295 -15.281 7.235 1.00 42.23 H new ATOM 343 N LEU A 20 -13.527 -12.822 5.208 1.00 73.22 N ATOM 344 CA LEU A 20 -12.672 -11.832 4.585 1.00 10.22 C ATOM 345 C LEU A 20 -12.608 -12.024 3.092 1.00 65.33 C ATOM 346 O LEU A 20 -12.740 -11.072 2.362 1.00 30.50 O ATOM 347 CB LEU A 20 -11.264 -11.845 5.187 1.00 32.54 C ATOM 348 CG LEU A 20 -11.149 -11.325 6.614 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.725 -11.464 7.119 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.592 -9.873 6.674 1.00 23.21 C ATOM 0 H LEU A 20 -13.052 -13.435 5.870 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.115 -10.856 4.785 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.888 -12.868 5.161 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.611 -11.249 4.549 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.799 -11.920 7.256 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.663 -11.087 8.140 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.434 -12.514 7.101 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.054 -10.891 6.479 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.507 -9.509 7.698 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -10.959 -9.272 6.021 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.629 -9.795 6.346 1.00 23.21 H new ATOM 362 N ALA A 21 -12.464 -13.263 2.646 1.00 4.44 N ATOM 363 CA ALA A 21 -12.418 -13.570 1.222 1.00 14.42 C ATOM 364 C ALA A 21 -13.687 -13.100 0.543 1.00 35.03 C ATOM 365 O ALA A 21 -13.635 -12.504 -0.542 1.00 72.55 O ATOM 366 CB ALA A 21 -12.216 -15.056 0.996 1.00 1.41 C ATOM 0 H ALA A 21 -12.376 -14.078 3.253 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.570 -13.042 0.785 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -12.185 -15.260 -0.074 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.277 -15.369 1.453 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -13.041 -15.608 1.447 1.00 1.41 H new ATOM 372 N ALA A 22 -14.818 -13.346 1.196 1.00 4.14 N ATOM 373 CA ALA A 22 -16.105 -12.903 0.711 1.00 53.23 C ATOM 374 C ALA A 22 -16.162 -11.380 0.595 1.00 34.22 C ATOM 375 O ALA A 22 -16.615 -10.842 -0.427 1.00 30.41 O ATOM 376 CB ALA A 22 -17.216 -13.412 1.623 1.00 24.13 C ATOM 0 H ALA A 22 -14.860 -13.859 2.077 1.00 4.14 H new ATOM 0 HA ALA A 22 -16.250 -13.317 -0.287 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -18.181 -13.071 1.247 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -17.199 -14.502 1.644 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.064 -13.027 2.631 1.00 24.13 H new ATOM 382 N LEU A 23 -15.678 -10.690 1.618 1.00 71.12 N ATOM 383 CA LEU A 23 -15.670 -9.233 1.629 1.00 42.20 C ATOM 384 C LEU A 23 -14.681 -8.649 0.631 1.00 63.22 C ATOM 385 O LEU A 23 -14.996 -7.687 -0.050 1.00 30.24 O ATOM 386 CB LEU A 23 -15.381 -8.657 3.036 1.00 60.54 C ATOM 387 CG LEU A 23 -16.583 -8.399 3.972 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.344 -9.658 4.289 1.00 60.14 C ATOM 389 CD2 LEU A 23 -16.121 -7.731 5.258 1.00 50.33 C ATOM 0 H LEU A 23 -15.284 -11.118 2.456 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.676 -8.938 1.332 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -14.702 -9.341 3.545 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.848 -7.715 2.909 1.00 60.54 H new ATOM 0 HG LEU A 23 -17.263 -7.733 3.441 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -18.178 -9.422 4.950 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.724 -10.095 3.366 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -16.681 -10.370 4.781 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -16.980 -7.556 5.906 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -15.407 -8.378 5.768 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -15.644 -6.779 5.023 1.00 50.33 H new ATOM 401 N LEU A 24 -13.515 -9.256 0.500 1.00 61.11 N ATOM 402 CA LEU A 24 -12.471 -8.697 -0.352 1.00 33.50 C ATOM 403 C LEU A 24 -12.656 -9.098 -1.802 1.00 13.04 C ATOM 404 O LEU A 24 -11.956 -8.575 -2.677 1.00 54.12 O ATOM 405 CB LEU A 24 -11.105 -9.230 0.089 1.00 1.13 C ATOM 406 CG LEU A 24 -10.752 -9.140 1.567 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.382 -9.721 1.814 1.00 24.05 C ATOM 408 CD2 LEU A 24 -10.841 -7.730 2.076 1.00 43.42 C ATOM 0 H LEU A 24 -13.265 -10.128 0.966 1.00 61.11 H new ATOM 0 HA LEU A 24 -12.530 -7.613 -0.260 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.042 -10.277 -0.207 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.339 -8.694 -0.472 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.484 -9.727 2.122 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.143 -9.650 2.875 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.370 -10.767 1.508 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -8.642 -9.166 1.237 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -10.582 -7.708 3.134 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.149 -7.098 1.520 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -11.857 -7.359 1.944 1.00 43.42 H new ATOM 420 N GLU A 25 -13.630 -9.975 -2.055 1.00 45.33 N ATOM 421 CA GLU A 25 -13.910 -10.509 -3.392 1.00 22.43 C ATOM 422 C GLU A 25 -12.702 -11.275 -3.930 1.00 63.31 C ATOM 423 O GLU A 25 -12.384 -11.212 -5.115 1.00 72.53 O ATOM 424 CB GLU A 25 -14.299 -9.390 -4.354 1.00 34.10 C ATOM 425 CG GLU A 25 -15.521 -8.618 -3.931 1.00 74.02 C ATOM 426 CD GLU A 25 -15.848 -7.534 -4.902 1.00 63.23 C ATOM 427 OE1 GLU A 25 -16.397 -7.842 -5.990 1.00 73.13 O ATOM 428 OE2 GLU A 25 -15.565 -6.357 -4.604 1.00 54.24 O ATOM 0 H GLU A 25 -14.252 -10.338 -1.333 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.750 -11.198 -3.310 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.461 -8.700 -4.451 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.475 -9.818 -5.341 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.369 -9.297 -3.844 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.356 -8.186 -2.944 1.00 74.02 H new ATOM 435 N VAL A 26 -12.059 -12.017 -3.072 1.00 33.53 N ATOM 436 CA VAL A 26 -10.906 -12.791 -3.466 1.00 2.41 C ATOM 437 C VAL A 26 -11.140 -14.235 -3.101 1.00 32.32 C ATOM 438 O VAL A 26 -12.117 -14.551 -2.415 1.00 23.34 O ATOM 439 CB VAL A 26 -9.579 -12.291 -2.802 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.249 -10.868 -3.225 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.636 -12.401 -1.280 1.00 4.10 C ATOM 0 H VAL A 26 -12.313 -12.105 -2.088 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.784 -12.674 -4.543 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.780 -12.943 -3.155 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.322 -10.552 -2.746 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.130 -10.829 -4.308 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.058 -10.202 -2.925 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.698 -12.045 -0.854 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.459 -11.795 -0.902 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.792 -13.442 -0.996 1.00 4.10 H new ATOM 451 N SER A 27 -10.282 -15.101 -3.550 1.00 35.42 N ATOM 452 CA SER A 27 -10.383 -16.490 -3.217 1.00 0.14 C ATOM 453 C SER A 27 -9.840 -16.706 -1.801 1.00 54.44 C ATOM 454 O SER A 27 -9.027 -15.895 -1.309 1.00 24.14 O ATOM 455 CB SER A 27 -9.589 -17.302 -4.229 1.00 23.34 C ATOM 456 OG SER A 27 -10.022 -17.014 -5.563 1.00 1.11 O ATOM 0 H SER A 27 -9.495 -14.866 -4.155 1.00 35.42 H new ATOM 0 HA SER A 27 -11.423 -16.814 -3.246 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.527 -17.077 -4.130 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.710 -18.366 -4.024 1.00 23.34 H new ATOM 0 HG SER A 27 -9.498 -17.545 -6.199 1.00 1.11 H new ATOM 462 N ARG A 28 -10.278 -17.763 -1.138 1.00 33.45 N ATOM 463 CA ARG A 28 -9.804 -18.058 0.205 1.00 2.32 C ATOM 464 C ARG A 28 -8.310 -18.303 0.240 1.00 72.10 C ATOM 465 O ARG A 28 -7.649 -17.907 1.179 1.00 61.25 O ATOM 466 CB ARG A 28 -10.595 -19.169 0.882 1.00 73.14 C ATOM 467 CG ARG A 28 -12.013 -18.750 1.209 1.00 54.32 C ATOM 468 CD ARG A 28 -12.755 -19.793 2.012 1.00 53.33 C ATOM 469 NE ARG A 28 -12.974 -21.038 1.276 1.00 21.14 N ATOM 470 CZ ARG A 28 -14.183 -21.529 0.993 1.00 13.43 C ATOM 471 NH1 ARG A 28 -15.269 -20.791 1.203 1.00 20.31 N ATOM 472 NH2 ARG A 28 -14.295 -22.730 0.454 1.00 44.34 N ATOM 0 H ARG A 28 -10.958 -18.429 -1.505 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.988 -17.162 0.798 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -10.618 -20.043 0.232 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -10.086 -19.467 1.799 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -11.992 -17.814 1.767 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -12.554 -18.557 0.283 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -12.194 -20.010 2.921 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -13.718 -19.387 2.321 1.00 53.33 H new ATOM 0 HE ARG A 28 -12.157 -21.561 0.961 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -15.179 -19.848 1.581 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -16.192 -21.168 0.986 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -13.459 -23.280 0.255 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -15.217 -23.108 0.237 1.00 44.34 H new ATOM 486 N GLN A 29 -7.778 -18.897 -0.820 1.00 63.51 N ATOM 487 CA GLN A 29 -6.334 -19.097 -0.973 1.00 73.10 C ATOM 488 C GLN A 29 -5.600 -17.758 -0.954 1.00 21.43 C ATOM 489 O GLN A 29 -4.501 -17.639 -0.422 1.00 63.01 O ATOM 490 CB GLN A 29 -6.042 -19.894 -2.289 1.00 14.11 C ATOM 491 CG GLN A 29 -4.573 -19.912 -2.749 1.00 34.33 C ATOM 492 CD GLN A 29 -4.226 -18.810 -3.775 1.00 13.43 C ATOM 493 OE1 GLN A 29 -4.849 -17.742 -3.824 1.00 35.21 O ATOM 494 NE2 GLN A 29 -3.211 -19.041 -4.556 1.00 24.53 N ATOM 0 H GLN A 29 -8.330 -19.255 -1.599 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.964 -19.683 -0.132 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.372 -20.923 -2.149 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -6.649 -19.471 -3.090 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.928 -19.800 -1.878 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -4.351 -20.885 -3.187 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -2.714 -19.929 -4.496 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -2.913 -18.334 -5.228 1.00 24.53 H new ATOM 503 N THR A 30 -6.248 -16.757 -1.483 1.00 21.22 N ATOM 504 CA THR A 30 -5.663 -15.466 -1.634 1.00 0.23 C ATOM 505 C THR A 30 -5.521 -14.773 -0.274 1.00 24.14 C ATOM 506 O THR A 30 -4.445 -14.299 0.068 1.00 5.35 O ATOM 507 CB THR A 30 -6.514 -14.659 -2.609 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.732 -15.489 -3.770 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.809 -13.382 -3.031 1.00 50.43 C ATOM 0 H THR A 30 -7.207 -16.822 -1.823 1.00 21.22 H new ATOM 0 HA THR A 30 -4.656 -15.553 -2.041 1.00 0.23 H new ATOM 0 HB THR A 30 -7.452 -14.376 -2.132 1.00 71.41 H new ATOM 0 HG1 THR A 30 -6.043 -16.184 -3.809 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.442 -12.830 -3.726 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.612 -12.768 -2.152 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.866 -13.631 -3.518 1.00 50.43 H new ATOM 517 N ILE A 31 -6.584 -14.784 0.521 1.00 3.24 N ATOM 518 CA ILE A 31 -6.532 -14.180 1.851 1.00 15.23 C ATOM 519 C ILE A 31 -5.667 -15.040 2.796 1.00 54.43 C ATOM 520 O ILE A 31 -4.916 -14.512 3.622 1.00 12.25 O ATOM 521 CB ILE A 31 -7.964 -13.920 2.445 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.902 -13.322 3.864 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.814 -15.173 2.429 1.00 12.10 C ATOM 524 CD1 ILE A 31 -7.230 -11.965 3.939 1.00 15.23 C ATOM 0 H ILE A 31 -7.483 -15.198 0.274 1.00 3.24 H new ATOM 0 HA ILE A 31 -6.063 -13.201 1.753 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.439 -13.183 1.797 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.916 -13.234 4.254 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -7.369 -14.015 4.515 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.796 -14.952 2.848 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.927 -15.523 1.403 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -8.332 -15.948 3.025 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -7.229 -11.616 4.972 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -6.203 -12.047 3.582 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.774 -11.255 3.317 1.00 15.23 H new ATOM 536 N ASN A 32 -5.722 -16.359 2.600 1.00 30.33 N ATOM 537 CA ASN A 32 -4.938 -17.321 3.388 1.00 60.42 C ATOM 538 C ASN A 32 -3.456 -17.036 3.178 1.00 3.24 C ATOM 539 O ASN A 32 -2.651 -17.029 4.122 1.00 13.11 O ATOM 540 CB ASN A 32 -5.229 -18.749 2.896 1.00 64.50 C ATOM 541 CG ASN A 32 -4.644 -19.833 3.780 1.00 24.43 C ATOM 542 OD1 ASN A 32 -3.471 -20.188 3.669 1.00 33.15 O ATOM 543 ND2 ASN A 32 -5.475 -20.441 4.588 1.00 74.02 N ATOM 0 H ASN A 32 -6.311 -16.794 1.890 1.00 30.33 H new ATOM 0 HA ASN A 32 -5.203 -17.229 4.441 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -6.308 -18.888 2.832 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.833 -18.863 1.887 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -5.156 -21.232 5.147 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -6.442 -20.124 4.659 1.00 74.02 H new ATOM 550 N GLY A 33 -3.114 -16.786 1.921 1.00 32.15 N ATOM 551 CA GLY A 33 -1.761 -16.478 1.542 1.00 62.40 C ATOM 552 C GLY A 33 -1.287 -15.161 2.114 1.00 51.22 C ATOM 553 O GLY A 33 -0.097 -15.007 2.433 1.00 73.51 O ATOM 0 H GLY A 33 -3.774 -16.794 1.143 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -1.101 -17.277 1.881 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.690 -16.445 0.455 1.00 62.40 H new ATOM 557 N ILE A 34 -2.197 -14.202 2.222 1.00 55.13 N ATOM 558 CA ILE A 34 -1.876 -12.895 2.772 1.00 14.23 C ATOM 559 C ILE A 34 -1.653 -12.972 4.283 1.00 12.31 C ATOM 560 O ILE A 34 -0.762 -12.300 4.810 1.00 62.21 O ATOM 561 CB ILE A 34 -2.957 -11.819 2.443 1.00 13.40 C ATOM 562 CG1 ILE A 34 -3.115 -11.639 0.923 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.603 -10.485 3.089 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.855 -11.186 0.212 1.00 51.13 C ATOM 0 H ILE A 34 -3.170 -14.308 1.933 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.950 -12.582 2.291 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.906 -12.168 2.850 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.442 -12.584 0.490 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.905 -10.912 0.736 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.370 -9.749 2.847 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.547 -10.608 4.171 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.639 -10.143 2.712 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.056 -11.085 -0.855 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.536 -10.225 0.614 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -1.066 -11.923 0.364 1.00 51.13 H new ATOM 576 N GLU A 35 -2.427 -13.820 4.973 1.00 42.35 N ATOM 577 CA GLU A 35 -2.265 -13.978 6.425 1.00 14.13 C ATOM 578 C GLU A 35 -0.859 -14.412 6.795 1.00 62.12 C ATOM 579 O GLU A 35 -0.315 -13.976 7.809 1.00 33.44 O ATOM 580 CB GLU A 35 -3.244 -14.985 7.026 1.00 72.22 C ATOM 581 CG GLU A 35 -4.705 -14.602 6.972 1.00 22.14 C ATOM 582 CD GLU A 35 -5.492 -15.382 7.990 1.00 2.35 C ATOM 583 OE1 GLU A 35 -5.407 -15.041 9.184 1.00 12.42 O ATOM 584 OE2 GLU A 35 -6.180 -16.346 7.652 1.00 14.03 O ATOM 0 H GLU A 35 -3.159 -14.398 4.559 1.00 42.35 H new ATOM 0 HA GLU A 35 -2.472 -12.991 6.838 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -3.119 -15.936 6.509 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.970 -15.150 8.068 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.814 -13.534 7.160 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -5.100 -14.792 5.974 1.00 22.14 H new ATOM 591 N LYS A 36 -0.260 -15.233 5.972 1.00 72.42 N ATOM 592 CA LYS A 36 1.092 -15.686 6.240 1.00 3.42 C ATOM 593 C LYS A 36 2.081 -14.895 5.385 1.00 64.33 C ATOM 594 O LYS A 36 3.276 -15.193 5.361 1.00 74.05 O ATOM 595 CB LYS A 36 1.223 -17.193 5.970 1.00 71.34 C ATOM 596 CG LYS A 36 0.156 -18.060 6.661 1.00 73.40 C ATOM 597 CD LYS A 36 0.068 -17.817 8.174 1.00 3.32 C ATOM 598 CE LYS A 36 1.353 -18.167 8.905 1.00 11.20 C ATOM 599 NZ LYS A 36 1.238 -17.919 10.357 1.00 30.21 N ATOM 0 H LYS A 36 -0.677 -15.602 5.117 1.00 72.42 H new ATOM 0 HA LYS A 36 1.320 -15.514 7.292 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.170 -17.363 4.895 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.209 -17.523 6.297 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.815 -17.858 6.210 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.379 -19.112 6.481 1.00 73.40 H new ATOM 0 HD2 LYS A 36 -0.173 -16.770 8.355 1.00 3.32 H new ATOM 0 HD3 LYS A 36 -0.750 -18.408 8.585 1.00 3.32 H new ATOM 0 HE2 LYS A 36 1.596 -19.215 8.733 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.175 -17.578 8.499 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 2.133 -18.169 10.824 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 1.030 -16.913 10.522 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 0.469 -18.500 10.749 1.00 30.21 H new ATOM 613 N ASN A 37 1.538 -13.865 4.693 1.00 21.34 N ATOM 614 CA ASN A 37 2.248 -12.955 3.743 1.00 41.10 C ATOM 615 C ASN A 37 3.151 -13.711 2.777 1.00 30.41 C ATOM 616 O ASN A 37 4.090 -13.159 2.210 1.00 2.25 O ATOM 617 CB ASN A 37 3.006 -11.790 4.452 1.00 42.23 C ATOM 618 CG ASN A 37 4.200 -12.207 5.296 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.076 -12.481 6.497 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.350 -12.219 4.700 1.00 15.22 N ATOM 0 H ASN A 37 0.549 -13.630 4.781 1.00 21.34 H new ATOM 0 HA ASN A 37 1.462 -12.488 3.150 1.00 41.10 H new ATOM 0 HB2 ASN A 37 3.347 -11.086 3.693 1.00 42.23 H new ATOM 0 HB3 ASN A 37 2.301 -11.255 5.089 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.192 -12.460 5.222 1.00 15.22 H new ATOM 0 HD22 ASN A 37 5.413 -11.988 3.709 1.00 15.22 H new ATOM 627 N LYS A 38 2.724 -14.907 2.439 1.00 23.05 N ATOM 628 CA LYS A 38 3.526 -15.829 1.671 1.00 71.21 C ATOM 629 C LYS A 38 3.152 -15.654 0.211 1.00 63.12 C ATOM 630 O LYS A 38 3.880 -16.035 -0.710 1.00 54.40 O ATOM 631 CB LYS A 38 3.223 -17.247 2.179 1.00 54.41 C ATOM 632 CG LYS A 38 4.022 -18.376 1.549 1.00 51.33 C ATOM 633 CD LYS A 38 3.684 -19.709 2.209 1.00 14.11 C ATOM 634 CE LYS A 38 2.205 -20.035 2.070 1.00 53.22 C ATOM 635 NZ LYS A 38 1.829 -21.273 2.775 1.00 30.43 N ATOM 0 H LYS A 38 1.804 -15.268 2.692 1.00 23.05 H new ATOM 0 HA LYS A 38 4.596 -15.648 1.777 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.393 -17.268 3.255 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.164 -17.448 2.019 1.00 54.41 H new ATOM 0 HG2 LYS A 38 3.808 -18.428 0.482 1.00 51.33 H new ATOM 0 HG3 LYS A 38 5.088 -18.174 1.650 1.00 51.33 H new ATOM 0 HD2 LYS A 38 4.278 -20.503 1.755 1.00 14.11 H new ATOM 0 HD3 LYS A 38 3.953 -19.673 3.265 1.00 14.11 H new ATOM 0 HE2 LYS A 38 1.616 -19.205 2.461 1.00 53.22 H new ATOM 0 HE3 LYS A 38 1.956 -20.133 1.013 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 0.812 -21.449 2.649 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 2.370 -22.072 2.386 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 2.040 -21.173 3.789 1.00 30.43 H new ATOM 649 N TYR A 39 2.015 -15.024 0.033 1.00 74.05 N ATOM 650 CA TYR A 39 1.447 -14.704 -1.254 1.00 12.53 C ATOM 651 C TYR A 39 2.096 -13.423 -1.796 1.00 13.41 C ATOM 652 O TYR A 39 2.063 -13.162 -3.007 1.00 2.12 O ATOM 653 CB TYR A 39 -0.054 -14.473 -1.020 1.00 73.50 C ATOM 654 CG TYR A 39 -0.899 -14.235 -2.236 1.00 32.23 C ATOM 655 CD1 TYR A 39 -1.478 -15.294 -2.893 1.00 62.14 C ATOM 656 CD2 TYR A 39 -1.135 -12.951 -2.711 1.00 33.20 C ATOM 657 CE1 TYR A 39 -2.273 -15.090 -4.002 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.921 -12.734 -3.811 1.00 1.32 C ATOM 659 CZ TYR A 39 -2.490 -13.804 -4.458 1.00 33.11 C ATOM 660 OH TYR A 39 -3.281 -13.586 -5.571 1.00 24.32 O ATOM 0 H TYR A 39 1.438 -14.708 0.812 1.00 74.05 H new ATOM 0 HA TYR A 39 1.615 -15.502 -1.977 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.453 -15.340 -0.493 1.00 73.50 H new ATOM 0 HB3 TYR A 39 -0.166 -13.617 -0.355 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -1.308 -16.299 -2.537 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -0.690 -12.108 -2.203 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -2.723 -15.930 -4.510 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.092 -11.729 -4.167 1.00 1.32 H new ATOM 0 HH TYR A 39 -3.330 -12.625 -5.754 1.00 24.32 H new ATOM 670 N ASN A 40 2.723 -12.669 -0.868 1.00 43.42 N ATOM 671 CA ASN A 40 3.296 -11.328 -1.112 1.00 41.25 C ATOM 672 C ASN A 40 2.163 -10.326 -1.369 1.00 40.41 C ATOM 673 O ASN A 40 1.587 -10.270 -2.461 1.00 21.44 O ATOM 674 CB ASN A 40 4.370 -11.313 -2.245 1.00 44.44 C ATOM 675 CG ASN A 40 5.056 -9.942 -2.459 1.00 2.30 C ATOM 676 OD1 ASN A 40 4.469 -8.876 -2.270 1.00 64.13 O ATOM 677 ND2 ASN A 40 6.311 -9.966 -2.824 1.00 53.45 N ATOM 0 H ASN A 40 2.848 -12.983 0.094 1.00 43.42 H new ATOM 0 HA ASN A 40 3.836 -11.027 -0.214 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.134 -12.056 -2.014 1.00 44.44 H new ATOM 0 HB3 ASN A 40 3.899 -11.620 -3.179 1.00 44.44 H new ATOM 0 HD21 ASN A 40 6.820 -9.092 -2.957 1.00 53.45 H new ATOM 0 HD22 ASN A 40 6.781 -10.858 -2.976 1.00 53.45 H new ATOM 684 N PRO A 41 1.802 -9.551 -0.342 1.00 2.41 N ATOM 685 CA PRO A 41 0.702 -8.605 -0.426 1.00 33.40 C ATOM 686 C PRO A 41 1.045 -7.345 -1.222 1.00 61.13 C ATOM 687 O PRO A 41 1.995 -6.623 -0.905 1.00 2.50 O ATOM 688 CB PRO A 41 0.411 -8.260 1.038 1.00 23.24 C ATOM 689 CG PRO A 41 1.701 -8.479 1.755 1.00 52.51 C ATOM 690 CD PRO A 41 2.459 -9.526 0.984 1.00 12.41 C ATOM 0 HA PRO A 41 -0.149 -9.033 -0.956 1.00 33.40 H new ATOM 0 HB2 PRO A 41 0.074 -7.228 1.140 1.00 23.24 H new ATOM 0 HB3 PRO A 41 -0.377 -8.895 1.443 1.00 23.24 H new ATOM 0 HG2 PRO A 41 2.273 -7.553 1.812 1.00 52.51 H new ATOM 0 HG3 PRO A 41 1.523 -8.807 2.779 1.00 52.51 H new ATOM 0 HD2 PRO A 41 3.515 -9.271 0.900 1.00 12.41 H new ATOM 0 HD3 PRO A 41 2.404 -10.498 1.474 1.00 12.41 H new ATOM 698 N SER A 42 0.291 -7.110 -2.262 1.00 32.11 N ATOM 699 CA SER A 42 0.414 -5.916 -3.046 1.00 31.54 C ATOM 700 C SER A 42 -0.407 -4.829 -2.373 1.00 35.33 C ATOM 701 O SER A 42 -1.076 -5.104 -1.363 1.00 31.14 O ATOM 702 CB SER A 42 -0.126 -6.199 -4.441 1.00 33.24 C ATOM 703 OG SER A 42 -1.440 -6.762 -4.364 1.00 63.24 O ATOM 0 H SER A 42 -0.432 -7.750 -2.590 1.00 32.11 H new ATOM 0 HA SER A 42 1.453 -5.595 -3.124 1.00 31.54 H new ATOM 0 HB2 SER A 42 -0.152 -5.277 -5.021 1.00 33.24 H new ATOM 0 HB3 SER A 42 0.540 -6.885 -4.963 1.00 33.24 H new ATOM 0 HG SER A 42 -1.774 -6.937 -5.268 1.00 63.24 H new ATOM 709 N LEU A 43 -0.400 -3.626 -2.913 1.00 41.22 N ATOM 710 CA LEU A 43 -1.210 -2.573 -2.348 1.00 3.42 C ATOM 711 C LEU A 43 -2.676 -2.927 -2.563 1.00 71.35 C ATOM 712 O LEU A 43 -3.493 -2.766 -1.662 1.00 31.14 O ATOM 713 CB LEU A 43 -0.819 -1.180 -2.931 1.00 34.44 C ATOM 714 CG LEU A 43 -1.534 0.088 -2.363 1.00 23.40 C ATOM 715 CD1 LEU A 43 -2.940 0.257 -2.929 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.578 0.048 -0.826 1.00 44.53 C ATOM 0 H LEU A 43 0.150 -3.359 -3.730 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.032 -2.492 -1.276 1.00 3.42 H new ATOM 0 HB2 LEU A 43 0.254 -1.049 -2.788 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -0.996 -1.208 -4.006 1.00 34.44 H new ATOM 0 HG LEU A 43 -0.948 0.952 -2.678 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.398 1.151 -2.506 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -2.886 0.355 -4.013 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.542 -0.615 -2.673 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -2.080 0.941 -0.453 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -2.123 -0.838 -0.501 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.562 0.013 -0.434 1.00 44.53 H new ATOM 728 N GLN A 44 -2.986 -3.457 -3.744 1.00 2.30 N ATOM 729 CA GLN A 44 -4.322 -3.927 -4.073 1.00 25.44 C ATOM 730 C GLN A 44 -4.833 -4.955 -3.047 1.00 14.52 C ATOM 731 O GLN A 44 -5.964 -4.837 -2.556 1.00 12.34 O ATOM 732 CB GLN A 44 -4.267 -4.554 -5.479 1.00 43.20 C ATOM 733 CG GLN A 44 -5.519 -5.289 -5.915 1.00 23.12 C ATOM 734 CD GLN A 44 -5.373 -5.935 -7.279 1.00 1.11 C ATOM 735 OE1 GLN A 44 -4.673 -5.429 -8.160 1.00 21.35 O ATOM 736 NE2 GLN A 44 -5.986 -7.068 -7.450 1.00 45.30 N ATOM 0 H GLN A 44 -2.312 -3.571 -4.501 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.017 -3.088 -4.051 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.060 -3.765 -6.202 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -3.428 -5.248 -5.516 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -5.761 -6.055 -5.179 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -6.356 -4.591 -5.936 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -6.557 -7.457 -6.700 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -5.896 -7.568 -8.335 1.00 45.30 H new ATOM 745 N LEU A 45 -4.033 -5.959 -2.754 1.00 33.52 N ATOM 746 CA LEU A 45 -4.403 -6.937 -1.734 1.00 33.42 C ATOM 747 C LEU A 45 -4.468 -6.351 -0.329 1.00 12.12 C ATOM 748 O LEU A 45 -5.429 -6.588 0.391 1.00 53.21 O ATOM 749 CB LEU A 45 -3.515 -8.197 -1.766 1.00 75.22 C ATOM 750 CG LEU A 45 -3.947 -9.326 -2.726 1.00 12.11 C ATOM 751 CD1 LEU A 45 -5.327 -9.836 -2.352 1.00 72.44 C ATOM 752 CD2 LEU A 45 -3.927 -8.880 -4.177 1.00 1.23 C ATOM 0 H LEU A 45 -3.130 -6.125 -3.198 1.00 33.52 H new ATOM 0 HA LEU A 45 -5.416 -7.242 -1.996 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -2.503 -7.893 -2.032 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -3.470 -8.607 -0.757 1.00 75.22 H new ATOM 0 HG LEU A 45 -3.224 -10.135 -2.623 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -5.619 -10.632 -3.037 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -5.308 -10.223 -1.333 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.046 -9.020 -2.417 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.238 -9.706 -4.816 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.611 -8.042 -4.309 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -2.918 -8.571 -4.449 1.00 1.23 H new ATOM 764 N ALA A 46 -3.486 -5.553 0.030 1.00 72.35 N ATOM 765 CA ALA A 46 -3.392 -5.011 1.382 1.00 41.10 C ATOM 766 C ALA A 46 -4.511 -4.021 1.697 1.00 44.34 C ATOM 767 O ALA A 46 -5.084 -4.050 2.791 1.00 24.52 O ATOM 768 CB ALA A 46 -2.033 -4.365 1.612 1.00 4.33 C ATOM 0 H ALA A 46 -2.734 -5.260 -0.594 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.507 -5.853 2.065 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -1.986 -3.968 2.626 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.249 -5.110 1.477 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -1.890 -3.554 0.898 1.00 4.33 H new ATOM 774 N LEU A 47 -4.850 -3.178 0.734 1.00 33.43 N ATOM 775 CA LEU A 47 -5.825 -2.130 0.953 1.00 23.45 C ATOM 776 C LEU A 47 -7.221 -2.675 1.188 1.00 50.21 C ATOM 777 O LEU A 47 -7.918 -2.205 2.081 1.00 21.23 O ATOM 778 CB LEU A 47 -5.794 -1.089 -0.196 1.00 32.41 C ATOM 779 CG LEU A 47 -6.720 0.147 -0.071 1.00 61.44 C ATOM 780 CD1 LEU A 47 -8.161 -0.155 -0.494 1.00 11.43 C ATOM 781 CD2 LEU A 47 -6.688 0.687 1.360 1.00 70.53 C ATOM 0 H LEU A 47 -4.461 -3.202 -0.209 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.542 -1.617 1.872 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -4.769 -0.732 -0.298 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.045 -1.604 -1.123 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.339 0.906 -0.755 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -8.768 0.744 -0.387 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -8.174 -0.480 -1.534 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.568 -0.944 0.138 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -7.342 1.555 1.436 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -7.030 -0.086 2.048 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.669 0.977 1.617 1.00 70.53 H new ATOM 793 N LYS A 48 -7.640 -3.654 0.408 1.00 52.33 N ATOM 794 CA LYS A 48 -8.985 -4.178 0.585 1.00 54.10 C ATOM 795 C LYS A 48 -9.180 -4.749 1.975 1.00 25.41 C ATOM 796 O LYS A 48 -10.213 -4.521 2.605 1.00 42.33 O ATOM 797 CB LYS A 48 -9.406 -5.159 -0.522 1.00 63.32 C ATOM 798 CG LYS A 48 -8.422 -6.279 -0.831 1.00 23.52 C ATOM 799 CD LYS A 48 -8.983 -7.230 -1.886 1.00 64.34 C ATOM 800 CE LYS A 48 -9.366 -6.510 -3.179 1.00 3.10 C ATOM 801 NZ LYS A 48 -8.199 -5.933 -3.869 1.00 33.32 N ATOM 0 H LYS A 48 -7.091 -4.092 -0.332 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.662 -3.330 0.487 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.359 -5.607 -0.240 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.579 -4.592 -1.436 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.482 -5.854 -1.183 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.199 -6.833 0.081 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.243 -7.999 -2.108 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -9.859 -7.738 -1.483 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -9.869 -7.210 -3.846 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -10.079 -5.717 -2.952 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -8.522 -5.264 -4.597 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -7.601 -5.433 -3.181 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -7.650 -6.694 -4.317 1.00 33.32 H new ATOM 815 N ILE A 49 -8.166 -5.427 2.467 1.00 54.11 N ATOM 816 CA ILE A 49 -8.197 -5.979 3.811 1.00 1.24 C ATOM 817 C ILE A 49 -8.313 -4.850 4.833 1.00 2.41 C ATOM 818 O ILE A 49 -9.142 -4.904 5.743 1.00 64.12 O ATOM 819 CB ILE A 49 -6.935 -6.802 4.109 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.725 -7.840 3.016 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.072 -7.486 5.462 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.465 -8.639 3.165 1.00 35.31 C ATOM 0 H ILE A 49 -7.303 -5.612 1.956 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.063 -6.637 3.881 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.071 -6.137 4.135 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.576 -8.521 3.008 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.711 -7.337 2.049 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.174 -8.068 5.668 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.202 -6.733 6.239 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -7.938 -8.147 5.449 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.390 -9.356 2.347 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.605 -7.970 3.141 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.483 -9.173 4.115 1.00 35.31 H new ATOM 834 N ALA A 50 -7.533 -3.801 4.606 1.00 44.20 N ATOM 835 CA ALA A 50 -7.485 -2.630 5.477 1.00 11.21 C ATOM 836 C ALA A 50 -8.836 -1.968 5.545 1.00 70.10 C ATOM 837 O ALA A 50 -9.290 -1.529 6.596 1.00 34.45 O ATOM 838 CB ALA A 50 -6.489 -1.634 4.930 1.00 53.40 C ATOM 0 H ALA A 50 -6.908 -3.737 3.803 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.189 -2.954 6.475 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.454 -0.760 5.581 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.502 -2.094 4.886 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.792 -1.329 3.929 1.00 53.40 H new ATOM 844 N TYR A 51 -9.462 -1.904 4.409 1.00 50.04 N ATOM 845 CA TYR A 51 -10.734 -1.288 4.252 1.00 11.22 C ATOM 846 C TYR A 51 -11.862 -2.104 4.924 1.00 40.54 C ATOM 847 O TYR A 51 -12.649 -1.560 5.694 1.00 51.22 O ATOM 848 CB TYR A 51 -10.988 -1.082 2.756 1.00 31.54 C ATOM 849 CG TYR A 51 -12.290 -0.438 2.428 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.424 0.936 2.406 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.384 -1.212 2.144 1.00 52.31 C ATOM 852 CE1 TYR A 51 -13.628 1.520 2.107 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.597 -0.646 1.843 1.00 14.05 C ATOM 854 CZ TYR A 51 -14.713 0.724 1.828 1.00 45.04 C ATOM 855 OH TYR A 51 -15.920 1.301 1.525 1.00 12.24 O ATOM 0 H TYR A 51 -9.086 -2.292 3.544 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.733 -0.322 4.757 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.183 -0.472 2.345 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -10.941 -2.050 2.257 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -11.570 1.559 2.627 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.290 -2.288 2.157 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -13.723 2.596 2.091 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.451 -1.269 1.620 1.00 14.05 H new ATOM 0 HH TYR A 51 -16.583 0.601 1.352 1.00 12.24 H new ATOM 865 N TYR A 52 -11.938 -3.400 4.636 1.00 52.41 N ATOM 866 CA TYR A 52 -13.011 -4.252 5.183 1.00 3.45 C ATOM 867 C TYR A 52 -12.846 -4.562 6.671 1.00 25.43 C ATOM 868 O TYR A 52 -13.838 -4.735 7.391 1.00 40.30 O ATOM 869 CB TYR A 52 -13.219 -5.508 4.331 1.00 51.32 C ATOM 870 CG TYR A 52 -13.839 -5.184 2.979 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.211 -5.053 2.846 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.058 -4.988 1.855 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.784 -4.739 1.633 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.617 -4.677 0.639 1.00 0.00 C ATOM 875 CZ TYR A 52 -14.987 -4.552 0.531 1.00 75.33 C ATOM 876 OH TYR A 52 -15.564 -4.224 -0.687 1.00 10.50 O ATOM 0 H TYR A 52 -11.278 -3.889 4.032 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.929 -3.668 5.122 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.261 -6.007 4.181 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -13.862 -6.207 4.866 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.844 -5.200 3.709 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -11.985 -5.081 1.935 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.856 -4.640 1.549 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -12.988 -4.531 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 52 -14.863 -4.125 -1.365 1.00 10.50 H new ATOM 886 N LEU A 53 -11.613 -4.600 7.129 1.00 43.52 N ATOM 887 CA LEU A 53 -11.338 -4.767 8.557 1.00 35.04 C ATOM 888 C LEU A 53 -11.357 -3.428 9.265 1.00 52.42 C ATOM 889 O LEU A 53 -11.395 -3.377 10.491 1.00 34.31 O ATOM 890 CB LEU A 53 -10.006 -5.486 8.819 1.00 34.25 C ATOM 891 CG LEU A 53 -9.987 -6.992 8.561 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.594 -7.550 8.792 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.978 -7.686 9.484 1.00 30.33 C ATOM 0 H LEU A 53 -10.782 -4.519 6.543 1.00 43.52 H new ATOM 0 HA LEU A 53 -12.131 -5.398 8.959 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.239 -5.023 8.198 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.722 -5.313 9.857 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.271 -7.173 7.524 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.596 -8.624 8.604 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.891 -7.065 8.115 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.293 -7.363 9.823 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -10.960 -8.759 9.296 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.704 -7.495 10.522 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.981 -7.301 9.297 1.00 30.33 H new ATOM 904 N ASN A 54 -11.390 -2.361 8.467 1.00 23.44 N ATOM 905 CA ASN A 54 -11.344 -0.961 8.919 1.00 34.54 C ATOM 906 C ASN A 54 -10.213 -0.754 9.906 1.00 23.31 C ATOM 907 O ASN A 54 -10.409 -0.768 11.120 1.00 53.04 O ATOM 908 CB ASN A 54 -12.715 -0.463 9.465 1.00 0.13 C ATOM 909 CG ASN A 54 -12.768 1.048 9.802 1.00 2.32 C ATOM 910 OD1 ASN A 54 -11.792 1.665 10.219 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.906 1.652 9.588 1.00 61.11 N ATOM 0 H ASN A 54 -11.452 -2.445 7.452 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.137 -0.340 8.047 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.486 -0.684 8.727 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.961 -1.030 10.363 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -13.994 2.652 9.768 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -14.707 1.124 9.241 1.00 61.11 H new ATOM 918 N THR A 55 -9.031 -0.701 9.389 1.00 45.02 N ATOM 919 CA THR A 55 -7.842 -0.491 10.161 1.00 24.13 C ATOM 920 C THR A 55 -6.804 0.119 9.220 1.00 75.14 C ATOM 921 O THR A 55 -6.741 -0.287 8.057 1.00 45.22 O ATOM 922 CB THR A 55 -7.311 -1.852 10.735 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.350 -2.503 11.493 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.113 -1.636 11.645 1.00 53.13 C ATOM 0 H THR A 55 -8.856 -0.805 8.390 1.00 45.02 H new ATOM 0 HA THR A 55 -8.043 0.167 11.006 1.00 24.13 H new ATOM 0 HB THR A 55 -7.010 -2.472 9.891 1.00 33.24 H new ATOM 0 HG1 THR A 55 -9.124 -1.906 11.566 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.768 -2.597 12.027 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.310 -1.160 11.082 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.400 -0.996 12.479 1.00 53.13 H new ATOM 932 N PRO A 56 -6.050 1.150 9.667 1.00 2.53 N ATOM 933 CA PRO A 56 -4.991 1.759 8.863 1.00 62.14 C ATOM 934 C PRO A 56 -4.018 0.705 8.348 1.00 22.43 C ATOM 935 O PRO A 56 -3.509 -0.113 9.124 1.00 73.34 O ATOM 936 CB PRO A 56 -4.290 2.693 9.855 1.00 52.13 C ATOM 937 CG PRO A 56 -5.350 3.048 10.827 1.00 3.21 C ATOM 938 CD PRO A 56 -6.188 1.814 10.978 1.00 22.03 C ATOM 0 HA PRO A 56 -5.373 2.271 7.980 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.451 2.198 10.343 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -3.893 3.578 9.357 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -4.921 3.350 11.782 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -5.947 3.886 10.467 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -5.830 1.181 11.790 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -7.227 2.058 11.199 1.00 22.03 H new ATOM 946 N LEU A 57 -3.750 0.740 7.059 1.00 62.42 N ATOM 947 CA LEU A 57 -2.904 -0.241 6.407 1.00 13.13 C ATOM 948 C LEU A 57 -1.486 -0.299 6.969 1.00 71.12 C ATOM 949 O LEU A 57 -0.858 -1.355 6.947 1.00 53.41 O ATOM 950 CB LEU A 57 -2.950 -0.112 4.860 1.00 34.12 C ATOM 951 CG LEU A 57 -2.864 1.304 4.234 1.00 42.20 C ATOM 952 CD1 LEU A 57 -1.535 1.986 4.480 1.00 35.04 C ATOM 953 CD2 LEU A 57 -3.158 1.242 2.752 1.00 13.21 C ATOM 0 H LEU A 57 -4.115 1.454 6.429 1.00 62.42 H new ATOM 0 HA LEU A 57 -3.330 -1.215 6.648 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -2.131 -0.705 4.453 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -3.877 -0.571 4.516 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.620 1.911 4.732 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -1.541 2.972 4.016 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -1.373 2.091 5.553 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -0.733 1.387 4.049 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -3.094 2.243 2.326 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -2.431 0.593 2.264 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -4.161 0.845 2.596 1.00 13.21 H new ATOM 964 N GLU A 58 -1.009 0.823 7.509 1.00 41.15 N ATOM 965 CA GLU A 58 0.319 0.892 8.131 1.00 25.13 C ATOM 966 C GLU A 58 0.365 0.043 9.396 1.00 23.31 C ATOM 967 O GLU A 58 1.419 -0.436 9.800 1.00 41.22 O ATOM 968 CB GLU A 58 0.641 2.325 8.524 1.00 25.40 C ATOM 969 CG GLU A 58 0.473 3.332 7.419 1.00 63.30 C ATOM 970 CD GLU A 58 0.864 4.704 7.859 1.00 34.03 C ATOM 971 OE1 GLU A 58 0.171 5.288 8.700 1.00 71.30 O ATOM 972 OE2 GLU A 58 1.889 5.225 7.370 1.00 53.22 O ATOM 0 H GLU A 58 -1.524 1.703 7.529 1.00 41.15 H new ATOM 0 HA GLU A 58 1.043 0.522 7.405 1.00 25.13 H new ATOM 0 HB2 GLU A 58 0.001 2.611 9.359 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.670 2.367 8.882 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.080 3.038 6.563 1.00 63.30 H new ATOM 0 HG3 GLU A 58 -0.565 3.338 7.087 1.00 63.30 H new ATOM 979 N ASP A 59 -0.774 -0.049 10.057 1.00 34.01 N ATOM 980 CA ASP A 59 -0.914 -0.840 11.266 1.00 63.41 C ATOM 981 C ASP A 59 -0.901 -2.323 10.918 1.00 42.14 C ATOM 982 O ASP A 59 -0.296 -3.140 11.618 1.00 72.41 O ATOM 983 CB ASP A 59 -2.205 -0.450 12.006 1.00 22.41 C ATOM 984 CG ASP A 59 -2.335 -1.074 13.380 1.00 52.54 C ATOM 985 OD1 ASP A 59 -1.459 -0.803 14.251 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.333 -1.749 13.649 1.00 14.52 O ATOM 0 H ASP A 59 -1.631 0.424 9.770 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.073 -0.640 11.930 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.242 0.635 12.105 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.063 -0.744 11.401 1.00 22.41 H new ATOM 991 N ILE A 60 -1.555 -2.633 9.798 1.00 25.13 N ATOM 992 CA ILE A 60 -1.724 -4.001 9.299 1.00 73.13 C ATOM 993 C ILE A 60 -0.412 -4.553 8.760 1.00 51.12 C ATOM 994 O ILE A 60 0.044 -5.625 9.163 1.00 44.15 O ATOM 995 CB ILE A 60 -2.833 -4.090 8.221 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.141 -3.530 8.788 1.00 75.01 C ATOM 997 CG2 ILE A 60 -3.023 -5.537 7.762 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.313 -3.606 7.848 1.00 50.54 C ATOM 0 H ILE A 60 -1.990 -1.930 9.201 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.036 -4.613 10.145 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.536 -3.499 7.355 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.388 -4.072 9.701 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -3.984 -2.489 9.069 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.806 -5.579 7.005 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -2.090 -5.910 7.340 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.309 -6.154 8.614 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -6.195 -3.188 8.332 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -5.092 -3.039 6.944 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.502 -4.647 7.586 1.00 50.54 H new ATOM 1010 N PHE A 61 0.171 -3.862 7.825 1.00 35.15 N ATOM 1011 CA PHE A 61 1.455 -4.258 7.352 1.00 22.52 C ATOM 1012 C PHE A 61 2.429 -3.212 7.730 1.00 61.31 C ATOM 1013 O PHE A 61 2.153 -2.027 7.601 1.00 64.35 O ATOM 1014 CB PHE A 61 1.458 -4.518 5.834 1.00 0.12 C ATOM 1015 CG PHE A 61 0.679 -5.744 5.457 1.00 21.33 C ATOM 1016 CD1 PHE A 61 1.226 -7.005 5.648 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.594 -5.643 4.928 1.00 50.52 C ATOM 1018 CE1 PHE A 61 0.516 -8.138 5.319 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.309 -6.774 4.594 1.00 53.10 C ATOM 1020 CZ PHE A 61 -0.753 -8.022 4.792 1.00 22.32 C ATOM 0 H PHE A 61 -0.221 -3.031 7.382 1.00 35.15 H new ATOM 0 HA PHE A 61 1.734 -5.205 7.814 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.038 -3.653 5.320 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.487 -4.625 5.490 1.00 0.12 H new ATOM 0 HD1 PHE A 61 2.220 -7.099 6.059 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -1.033 -4.668 4.775 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.952 -9.114 5.473 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.302 -6.684 4.178 1.00 53.10 H new ATOM 0 HZ PHE A 61 -1.313 -8.909 4.534 1.00 22.32 H new ATOM 1030 N GLN A 62 3.567 -3.623 8.149 1.00 72.24 N ATOM 1031 CA GLN A 62 4.514 -2.697 8.622 1.00 2.15 C ATOM 1032 C GLN A 62 5.729 -2.751 7.757 1.00 41.21 C ATOM 1033 O GLN A 62 6.327 -3.818 7.550 1.00 54.12 O ATOM 1034 CB GLN A 62 4.813 -2.984 10.085 1.00 43.12 C ATOM 1035 CG GLN A 62 5.613 -1.915 10.783 1.00 54.21 C ATOM 1036 CD GLN A 62 5.648 -2.122 12.276 1.00 62.30 C ATOM 1037 OE1 GLN A 62 4.712 -2.677 12.861 1.00 51.34 O ATOM 1038 NE2 GLN A 62 6.685 -1.662 12.904 1.00 41.41 N ATOM 0 H GLN A 62 3.862 -4.599 8.173 1.00 72.24 H new ATOM 0 HA GLN A 62 4.126 -1.680 8.569 1.00 2.15 H new ATOM 0 HB2 GLN A 62 3.870 -3.118 10.615 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.354 -3.928 10.153 1.00 43.12 H new ATOM 0 HG2 GLN A 62 6.631 -1.911 10.393 1.00 54.21 H new ATOM 0 HG3 GLN A 62 5.183 -0.938 10.562 1.00 54.21 H new ATOM 0 HE21 GLN A 62 7.437 -1.210 12.384 1.00 41.41 H new ATOM 0 HE22 GLN A 62 6.749 -1.752 13.918 1.00 41.41 H new ATOM 1047 N TRP A 63 6.087 -1.625 7.249 1.00 13.44 N ATOM 1048 CA TRP A 63 7.170 -1.522 6.332 1.00 61.35 C ATOM 1049 C TRP A 63 8.325 -0.747 6.880 1.00 61.52 C ATOM 1050 O TRP A 63 8.161 0.317 7.496 1.00 24.43 O ATOM 1051 CB TRP A 63 6.706 -0.956 4.992 1.00 14.01 C ATOM 1052 CG TRP A 63 5.743 0.192 5.098 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.026 1.506 5.358 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.331 0.115 4.915 1.00 53.32 C ATOM 1055 NE1 TRP A 63 4.863 2.238 5.369 1.00 11.14 N ATOM 1056 CE2 TRP A 63 3.813 1.404 5.094 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.456 -0.932 4.623 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 2.460 1.676 4.986 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.112 -0.660 4.516 1.00 3.40 C ATOM 1060 CH2 TRP A 63 1.627 0.633 4.696 1.00 31.53 C ATOM 0 H TRP A 63 5.631 -0.737 7.460 1.00 13.44 H new ATOM 0 HA TRP A 63 7.533 -2.536 6.166 1.00 61.35 H new ATOM 0 HB2 TRP A 63 7.580 -0.629 4.428 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.237 -1.755 4.418 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.014 1.907 5.529 1.00 3.21 H new ATOM 0 HE1 TRP A 63 4.794 3.239 5.552 1.00 11.14 H new ATOM 0 HE3 TRP A 63 3.827 -1.937 4.484 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 2.077 2.676 5.126 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.423 -1.460 4.289 1.00 3.40 H new ATOM 0 HH2 TRP A 63 0.567 0.816 4.604 1.00 31.53 H new ATOM 1071 N GLN A 64 9.479 -1.301 6.686 1.00 35.50 N ATOM 1072 CA GLN A 64 10.710 -0.691 7.066 1.00 11.44 C ATOM 1073 C GLN A 64 11.601 -0.730 5.841 1.00 30.22 C ATOM 1074 O GLN A 64 11.904 -1.822 5.350 1.00 33.31 O ATOM 1075 CB GLN A 64 11.361 -1.473 8.209 1.00 44.22 C ATOM 1076 CG GLN A 64 10.447 -1.702 9.403 1.00 32.13 C ATOM 1077 CD GLN A 64 11.156 -2.346 10.563 1.00 24.43 C ATOM 1078 OE1 GLN A 64 12.097 -3.115 10.381 1.00 13.50 O ATOM 1079 NE2 GLN A 64 10.727 -2.032 11.749 1.00 53.21 N ATOM 0 H GLN A 64 9.593 -2.215 6.247 1.00 35.50 H new ATOM 0 HA GLN A 64 10.551 0.330 7.413 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.695 -2.439 7.830 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.249 -0.937 8.542 1.00 44.22 H new ATOM 0 HG2 GLN A 64 10.028 -0.748 9.723 1.00 32.13 H new ATOM 0 HG3 GLN A 64 9.610 -2.331 9.099 1.00 32.13 H new ATOM 0 HE21 GLN A 64 9.942 -1.389 11.854 1.00 53.21 H new ATOM 0 HE22 GLN A 64 11.175 -2.429 12.575 1.00 53.21 H new ATOM 1088 N PRO A 65 12.021 0.436 5.320 1.00 63.05 N ATOM 1089 CA PRO A 65 12.827 0.555 4.067 1.00 13.14 C ATOM 1090 C PRO A 65 14.296 0.109 4.236 1.00 44.11 C ATOM 1091 O PRO A 65 15.211 0.690 3.653 1.00 4.41 O ATOM 1092 CB PRO A 65 12.765 2.068 3.761 1.00 11.15 C ATOM 1093 CG PRO A 65 11.721 2.617 4.676 1.00 34.32 C ATOM 1094 CD PRO A 65 11.759 1.757 5.894 1.00 62.43 C ATOM 0 HA PRO A 65 12.436 -0.088 3.278 1.00 13.14 H new ATOM 0 HB2 PRO A 65 13.730 2.544 3.936 1.00 11.15 H new ATOM 0 HB3 PRO A 65 12.506 2.247 2.717 1.00 11.15 H new ATOM 0 HG2 PRO A 65 11.927 3.658 4.925 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.737 2.590 4.208 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.542 2.064 6.587 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.818 1.785 6.444 1.00 62.43 H new ATOM 1102 N GLU A 66 14.480 -0.950 4.961 1.00 22.55 N ATOM 1103 CA GLU A 66 15.769 -1.499 5.257 1.00 60.44 C ATOM 1104 C GLU A 66 15.589 -2.991 5.432 1.00 3.22 C ATOM 1105 O GLU A 66 15.784 -3.739 4.454 1.00 11.44 O ATOM 1106 CB GLU A 66 16.337 -0.861 6.530 1.00 14.51 C ATOM 1107 CG GLU A 66 17.732 -1.326 6.905 1.00 33.32 C ATOM 1108 CD GLU A 66 18.186 -0.749 8.215 1.00 75.24 C ATOM 1109 OE1 GLU A 66 17.835 -1.303 9.272 1.00 31.01 O ATOM 1110 OE2 GLU A 66 18.898 0.271 8.222 1.00 24.43 O ATOM 1111 OXT GLU A 66 15.141 -3.423 6.518 1.00 0.00 O ATOM 0 H GLU A 66 13.711 -1.475 5.378 1.00 22.55 H new ATOM 0 HA GLU A 66 16.475 -1.296 4.452 1.00 60.44 H new ATOM 0 HB2 GLU A 66 16.352 0.221 6.402 1.00 14.51 H new ATOM 0 HB3 GLU A 66 15.663 -1.075 7.359 1.00 14.51 H new ATOM 0 HG2 GLU A 66 17.747 -2.414 6.964 1.00 33.32 H new ATOM 0 HG3 GLU A 66 18.432 -1.039 6.121 1.00 33.32 H new TER 1118 GLU A 66 ATOM 1119 N MET B 67 -11.916 1.815 -8.089 1.00 4.52 N ATOM 1120 CA MET B 67 -10.988 2.571 -8.930 1.00 15.43 C ATOM 1121 C MET B 67 -9.917 3.205 -8.069 1.00 54.41 C ATOM 1122 O MET B 67 -10.205 3.688 -6.966 1.00 33.23 O ATOM 1123 CB MET B 67 -11.725 3.652 -9.732 1.00 32.24 C ATOM 1124 CG MET B 67 -12.782 3.109 -10.676 1.00 0.23 C ATOM 1125 SD MET B 67 -12.103 1.990 -11.924 1.00 54.32 S ATOM 1126 CE MET B 67 -13.610 1.465 -12.745 1.00 74.51 C ATOM 0 HA MET B 67 -10.525 1.881 -9.636 1.00 15.43 H new ATOM 0 HB2 MET B 67 -12.196 4.347 -9.037 1.00 32.24 H new ATOM 0 HB3 MET B 67 -10.996 4.222 -10.308 1.00 32.24 H new ATOM 0 HG2 MET B 67 -13.542 2.583 -10.098 1.00 0.23 H new ATOM 0 HG3 MET B 67 -13.280 3.941 -11.174 1.00 0.23 H new ATOM 0 HE1 MET B 67 -13.364 0.768 -13.546 1.00 74.51 H new ATOM 0 HE2 MET B 67 -14.265 0.974 -12.025 1.00 74.51 H new ATOM 0 HE3 MET B 67 -14.118 2.334 -13.164 1.00 74.51 H new ATOM 1138 N ILE B 68 -8.690 3.180 -8.541 1.00 22.43 N ATOM 1139 CA ILE B 68 -7.582 3.790 -7.835 1.00 32.41 C ATOM 1140 C ILE B 68 -7.244 5.095 -8.543 1.00 45.13 C ATOM 1141 O ILE B 68 -7.193 5.139 -9.773 1.00 32.11 O ATOM 1142 CB ILE B 68 -6.306 2.874 -7.837 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -6.619 1.454 -7.314 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -5.169 3.503 -7.022 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -7.139 1.398 -5.892 1.00 54.01 C ATOM 0 H ILE B 68 -8.431 2.738 -9.423 1.00 22.43 H new ATOM 0 HA ILE B 68 -7.875 3.950 -6.797 1.00 32.41 H new ATOM 0 HB ILE B 68 -5.980 2.786 -8.873 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -7.355 0.994 -7.973 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -5.713 0.851 -7.378 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -4.300 2.845 -7.042 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -4.904 4.469 -7.453 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -5.494 3.643 -5.991 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -7.330 0.361 -5.615 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -6.397 1.824 -5.216 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -8.065 1.969 -5.820 1.00 54.01 H new ATOM 1157 N ILE B 69 -7.057 6.141 -7.787 1.00 31.31 N ATOM 1158 CA ILE B 69 -6.688 7.430 -8.323 1.00 25.12 C ATOM 1159 C ILE B 69 -5.366 7.811 -7.668 1.00 13.31 C ATOM 1160 O ILE B 69 -5.222 7.728 -6.446 1.00 33.20 O ATOM 1161 CB ILE B 69 -7.756 8.574 -8.064 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.162 8.260 -8.640 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.270 9.911 -8.619 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -9.975 7.232 -7.866 1.00 2.41 C ATOM 0 H ILE B 69 -7.156 6.127 -6.772 1.00 31.31 H new ATOM 0 HA ILE B 69 -6.619 7.342 -9.407 1.00 25.12 H new ATOM 0 HB ILE B 69 -7.859 8.632 -6.980 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -9.732 9.188 -8.685 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.045 7.907 -9.665 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.020 10.678 -8.429 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.335 10.189 -8.132 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.107 9.822 -9.693 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -10.939 7.088 -8.354 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.436 6.285 -7.842 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -10.133 7.586 -6.847 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.413 8.185 -8.454 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.086 8.488 -7.978 1.00 24.23 C ATOM 1178 C ASN B 70 -2.922 9.992 -7.842 1.00 32.00 C ATOM 1179 O ASN B 70 -3.214 10.753 -8.771 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.097 7.864 -8.988 1.00 41.35 C ATOM 1181 CG ASN B 70 -0.620 8.152 -8.783 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.213 9.229 -8.369 1.00 51.44 O ATOM 1183 ND2 ASN B 70 0.184 7.165 -9.035 1.00 33.01 N ATOM 0 H ASN B 70 -4.526 8.293 -9.462 1.00 20.22 H new ATOM 0 HA ASN B 70 -2.895 8.072 -6.989 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.236 6.783 -8.972 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -2.372 8.206 -9.986 1.00 41.35 H new ATOM 0 HD21 ASN B 70 1.187 7.275 -8.889 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -0.188 6.280 -9.379 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.481 10.421 -6.675 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.277 11.833 -6.392 1.00 54.20 C ATOM 1192 C ASN B 71 -0.829 12.068 -6.024 1.00 74.31 C ATOM 1193 O ASN B 71 -0.473 13.132 -5.538 1.00 70.34 O ATOM 1194 CB ASN B 71 -3.172 12.317 -5.229 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.670 12.319 -5.516 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -5.478 12.118 -4.609 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -5.061 12.593 -6.740 1.00 62.53 N ATOM 0 H ASN B 71 -2.254 9.803 -5.896 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.543 12.394 -7.288 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.986 11.684 -4.361 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.870 13.328 -4.956 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -6.056 12.644 -6.958 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.369 12.755 -7.472 1.00 62.53 H new ATOM 1204 N LEU B 72 0.019 11.080 -6.324 1.00 31.42 N ATOM 1205 CA LEU B 72 1.452 11.119 -5.996 1.00 41.12 C ATOM 1206 C LEU B 72 2.084 12.381 -6.564 1.00 32.41 C ATOM 1207 O LEU B 72 2.869 13.055 -5.895 1.00 15.34 O ATOM 1208 CB LEU B 72 2.146 9.802 -6.499 1.00 22.14 C ATOM 1209 CG LEU B 72 3.686 9.619 -6.339 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.467 10.342 -7.423 1.00 11.20 C ATOM 1211 CD2 LEU B 72 4.150 10.077 -4.968 1.00 33.32 C ATOM 0 H LEU B 72 -0.268 10.226 -6.803 1.00 31.42 H new ATOM 0 HA LEU B 72 1.590 11.160 -4.916 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.666 8.968 -5.987 1.00 22.14 H new ATOM 0 HB3 LEU B 72 1.916 9.700 -7.560 1.00 22.14 H new ATOM 0 HG LEU B 72 3.886 8.553 -6.443 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.534 10.185 -7.269 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.180 9.952 -8.400 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.247 11.409 -7.380 1.00 11.20 H new ATOM 0 HD21 LEU B 72 5.228 9.938 -4.884 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.908 11.132 -4.836 1.00 33.32 H new ATOM 0 HD23 LEU B 72 3.647 9.490 -4.199 1.00 33.32 H new ATOM 1223 N LYS B 73 1.687 12.722 -7.768 1.00 14.34 N ATOM 1224 CA LYS B 73 2.164 13.917 -8.431 1.00 42.10 C ATOM 1225 C LYS B 73 1.834 15.192 -7.627 1.00 53.11 C ATOM 1226 O LYS B 73 2.676 16.077 -7.490 1.00 74.22 O ATOM 1227 CB LYS B 73 1.634 13.984 -9.870 1.00 5.41 C ATOM 1228 CG LYS B 73 0.123 13.848 -10.003 1.00 35.52 C ATOM 1229 CD LYS B 73 -0.288 13.890 -11.457 1.00 25.45 C ATOM 1230 CE LYS B 73 -1.785 13.722 -11.631 1.00 12.21 C ATOM 1231 NZ LYS B 73 -2.156 13.802 -13.053 1.00 61.12 N ATOM 0 H LYS B 73 1.022 12.178 -8.318 1.00 14.34 H new ATOM 0 HA LYS B 73 3.251 13.863 -8.482 1.00 42.10 H new ATOM 0 HB2 LYS B 73 1.939 14.933 -10.310 1.00 5.41 H new ATOM 0 HB3 LYS B 73 2.108 13.195 -10.454 1.00 5.41 H new ATOM 0 HG2 LYS B 73 -0.204 12.910 -9.554 1.00 35.52 H new ATOM 0 HG3 LYS B 73 -0.370 14.652 -9.457 1.00 35.52 H new ATOM 0 HD2 LYS B 73 0.023 14.839 -11.894 1.00 25.45 H new ATOM 0 HD3 LYS B 73 0.231 13.102 -12.003 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -2.098 12.761 -11.222 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -2.310 14.494 -11.069 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -3.185 13.685 -13.151 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -1.876 14.728 -13.433 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -1.670 13.049 -13.581 1.00 61.12 H new ATOM 1245 N LEU B 74 0.629 15.255 -7.076 1.00 3.54 N ATOM 1246 CA LEU B 74 0.191 16.386 -6.263 1.00 24.22 C ATOM 1247 C LEU B 74 0.979 16.416 -4.930 1.00 33.32 C ATOM 1248 O LEU B 74 1.370 17.484 -4.452 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.353 16.296 -6.050 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.120 17.546 -5.521 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -1.816 17.859 -4.067 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -1.840 18.761 -6.397 1.00 34.11 C ATOM 0 H LEU B 74 -0.074 14.524 -7.179 1.00 3.54 H new ATOM 0 HA LEU B 74 0.400 17.327 -6.773 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.800 16.015 -7.004 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.542 15.477 -5.356 1.00 15.15 H new ATOM 0 HG LEU B 74 -3.181 17.302 -5.574 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.380 18.739 -3.759 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -2.100 17.010 -3.445 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -0.750 18.053 -3.952 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -2.385 19.622 -6.010 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -0.771 18.975 -6.391 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.163 18.556 -7.418 1.00 34.11 H new ATOM 1264 N ILE B 75 1.237 15.238 -4.360 1.00 72.34 N ATOM 1265 CA ILE B 75 2.007 15.120 -3.105 1.00 55.53 C ATOM 1266 C ILE B 75 3.423 15.675 -3.280 1.00 3.21 C ATOM 1267 O ILE B 75 3.954 16.358 -2.381 1.00 40.20 O ATOM 1268 CB ILE B 75 2.038 13.638 -2.540 1.00 33.31 C ATOM 1269 CG1 ILE B 75 0.759 13.294 -1.739 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.274 13.379 -1.672 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.547 13.410 -2.484 1.00 1.24 C ATOM 0 H ILE B 75 0.926 14.345 -4.743 1.00 72.34 H new ATOM 0 HA ILE B 75 1.488 15.723 -2.360 1.00 55.53 H new ATOM 0 HB ILE B 75 2.085 12.987 -3.413 1.00 33.31 H new ATOM 0 HG12 ILE B 75 0.852 12.273 -1.368 1.00 5.53 H new ATOM 0 HG13 ILE B 75 0.715 13.947 -0.867 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.253 12.352 -1.307 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.175 13.535 -2.266 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.274 14.065 -0.825 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.370 13.144 -1.820 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.678 14.435 -2.832 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.539 12.735 -3.340 1.00 1.24 H new ATOM 1283 N ARG B 76 4.002 15.409 -4.445 1.00 23.44 N ATOM 1284 CA ARG B 76 5.332 15.902 -4.806 1.00 2.23 C ATOM 1285 C ARG B 76 5.341 17.411 -4.762 1.00 61.23 C ATOM 1286 O ARG B 76 6.277 18.009 -4.268 1.00 0.10 O ATOM 1287 CB ARG B 76 5.676 15.495 -6.221 1.00 24.15 C ATOM 1288 CG ARG B 76 5.729 14.020 -6.482 1.00 71.12 C ATOM 1289 CD ARG B 76 5.604 13.735 -7.974 1.00 32.20 C ATOM 1290 NE ARG B 76 6.819 13.953 -8.792 1.00 64.13 N ATOM 1291 CZ ARG B 76 7.194 15.093 -9.407 1.00 4.20 C ATOM 1292 NH1 ARG B 76 6.789 16.279 -8.984 1.00 64.25 N ATOM 1293 NH2 ARG B 76 8.001 15.014 -10.444 1.00 51.23 N ATOM 0 H ARG B 76 3.563 14.843 -5.171 1.00 23.44 H new ATOM 0 HA ARG B 76 6.051 15.483 -4.103 1.00 2.23 H new ATOM 0 HB2 ARG B 76 4.942 15.938 -6.895 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.644 15.925 -6.477 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.667 13.612 -6.106 1.00 71.12 H new ATOM 0 HG3 ARG B 76 4.925 13.520 -5.942 1.00 71.12 H new ATOM 0 HD2 ARG B 76 5.290 12.699 -8.098 1.00 32.20 H new ATOM 0 HD3 ARG B 76 4.806 14.360 -8.375 1.00 32.20 H new ATOM 0 HE ARG B 76 7.441 13.152 -8.902 1.00 64.13 H new ATOM 0 HH11 ARG B 76 6.176 16.349 -8.172 1.00 64.25 H new ATOM 0 HH12 ARG B 76 7.090 17.124 -9.470 1.00 64.25 H new ATOM 0 HH21 ARG B 76 8.329 14.104 -10.767 1.00 51.23 H new ATOM 0 HH22 ARG B 76 8.298 15.863 -10.925 1.00 51.23 H new ATOM 1307 N GLU B 77 4.276 18.004 -5.307 1.00 3.43 N ATOM 1308 CA GLU B 77 4.114 19.445 -5.386 1.00 32.25 C ATOM 1309 C GLU B 77 3.873 20.086 -4.021 1.00 23.22 C ATOM 1310 O GLU B 77 4.186 21.265 -3.827 1.00 24.24 O ATOM 1311 CB GLU B 77 3.015 19.828 -6.364 1.00 73.21 C ATOM 1312 CG GLU B 77 3.231 19.311 -7.779 1.00 31.54 C ATOM 1313 CD GLU B 77 4.577 19.695 -8.361 1.00 75.21 C ATOM 1314 OE1 GLU B 77 4.848 20.902 -8.541 1.00 52.20 O ATOM 1315 OE2 GLU B 77 5.359 18.790 -8.699 1.00 73.43 O ATOM 0 H GLU B 77 3.496 17.484 -5.709 1.00 3.43 H new ATOM 0 HA GLU B 77 5.059 19.839 -5.761 1.00 32.25 H new ATOM 0 HB2 GLU B 77 2.064 19.448 -5.991 1.00 73.21 H new ATOM 0 HB3 GLU B 77 2.934 20.915 -6.395 1.00 73.21 H new ATOM 0 HG2 GLU B 77 3.140 18.225 -7.779 1.00 31.54 H new ATOM 0 HG3 GLU B 77 2.441 19.697 -8.424 1.00 31.54 H new ATOM 1322 N LYS B 78 3.187 19.372 -3.123 1.00 12.34 N ATOM 1323 CA LYS B 78 3.036 19.844 -1.738 1.00 0.30 C ATOM 1324 C LYS B 78 4.393 20.011 -1.045 1.00 41.03 C ATOM 1325 O LYS B 78 4.580 20.917 -0.215 1.00 70.21 O ATOM 1326 CB LYS B 78 2.071 18.979 -0.929 1.00 31.15 C ATOM 1327 CG LYS B 78 0.645 19.050 -1.454 1.00 63.14 C ATOM 1328 CD LYS B 78 -0.346 18.309 -0.571 1.00 63.03 C ATOM 1329 CE LYS B 78 -0.061 16.826 -0.517 1.00 13.30 C ATOM 1330 NZ LYS B 78 -1.056 16.119 0.296 1.00 22.43 N ATOM 0 H LYS B 78 2.734 18.480 -3.322 1.00 12.34 H new ATOM 0 HA LYS B 78 2.583 20.834 -1.789 1.00 0.30 H new ATOM 0 HB2 LYS B 78 2.411 17.944 -0.950 1.00 31.15 H new ATOM 0 HB3 LYS B 78 2.088 19.299 0.113 1.00 31.15 H new ATOM 0 HG2 LYS B 78 0.344 20.094 -1.533 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.612 18.631 -2.460 1.00 63.14 H new ATOM 0 HD2 LYS B 78 -0.311 18.721 0.437 1.00 63.03 H new ATOM 0 HD3 LYS B 78 -1.357 18.470 -0.947 1.00 63.03 H new ATOM 0 HE2 LYS B 78 -0.058 16.418 -1.528 1.00 13.30 H new ATOM 0 HE3 LYS B 78 0.934 16.660 -0.103 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -0.670 15.201 0.596 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -1.287 16.689 1.135 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -1.918 15.965 -0.266 1.00 22.43 H new ATOM 1344 N LYS B 79 5.326 19.157 -1.393 1.00 11.23 N ATOM 1345 CA LYS B 79 6.726 19.312 -1.009 1.00 71.54 C ATOM 1346 C LYS B 79 7.369 19.987 -2.227 1.00 62.41 C ATOM 1347 O LYS B 79 6.648 20.541 -3.031 1.00 22.21 O ATOM 1348 CB LYS B 79 7.359 17.927 -0.781 1.00 24.24 C ATOM 1349 CG LYS B 79 6.731 17.106 0.347 1.00 24.13 C ATOM 1350 CD LYS B 79 6.948 17.746 1.708 1.00 4.22 C ATOM 1351 CE LYS B 79 6.361 16.906 2.844 1.00 44.25 C ATOM 1352 NZ LYS B 79 4.883 16.790 2.782 1.00 54.41 N ATOM 0 H LYS B 79 5.143 18.326 -1.955 1.00 11.23 H new ATOM 0 HA LYS B 79 6.856 19.884 -0.090 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.290 17.356 -1.707 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.419 18.060 -0.566 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.662 16.997 0.164 1.00 24.13 H new ATOM 0 HG3 LYS B 79 7.158 16.103 0.346 1.00 24.13 H new ATOM 0 HD2 LYS B 79 8.016 17.885 1.876 1.00 4.22 H new ATOM 0 HD3 LYS B 79 6.493 18.736 1.718 1.00 4.22 H new ATOM 0 HE2 LYS B 79 6.799 15.908 2.813 1.00 44.25 H new ATOM 0 HE3 LYS B 79 6.644 17.349 3.799 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 4.541 16.268 3.614 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 4.460 17.740 2.772 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 4.611 16.281 1.917 1.00 54.41 H new ATOM 1366 N LYS B 80 8.651 20.043 -2.386 1.00 71.43 N ATOM 1367 CA LYS B 80 9.141 20.406 -3.696 1.00 32.42 C ATOM 1368 C LYS B 80 10.095 19.343 -4.162 1.00 13.24 C ATOM 1369 O LYS B 80 11.302 19.554 -4.302 1.00 5.54 O ATOM 1370 CB LYS B 80 9.743 21.827 -3.762 1.00 73.24 C ATOM 1371 CG LYS B 80 10.798 22.144 -2.706 1.00 40.21 C ATOM 1372 CD LYS B 80 11.405 23.518 -2.937 1.00 43.22 C ATOM 1373 CE LYS B 80 12.242 23.555 -4.206 1.00 70.42 C ATOM 1374 NZ LYS B 80 13.472 22.743 -4.080 1.00 23.43 N ATOM 0 H LYS B 80 9.355 19.855 -1.673 1.00 71.43 H new ATOM 0 HA LYS B 80 8.294 20.454 -4.380 1.00 32.42 H new ATOM 0 HB2 LYS B 80 10.186 21.969 -4.747 1.00 73.24 H new ATOM 0 HB3 LYS B 80 8.933 22.550 -3.670 1.00 73.24 H new ATOM 0 HG2 LYS B 80 10.348 22.103 -1.714 1.00 40.21 H new ATOM 0 HG3 LYS B 80 11.582 21.387 -2.732 1.00 40.21 H new ATOM 0 HD2 LYS B 80 10.610 24.261 -3.003 1.00 43.22 H new ATOM 0 HD3 LYS B 80 12.026 23.790 -2.083 1.00 43.22 H new ATOM 0 HE2 LYS B 80 11.649 23.187 -5.043 1.00 70.42 H new ATOM 0 HE3 LYS B 80 12.510 24.587 -4.434 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 14.116 22.965 -4.866 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 13.940 22.960 -3.177 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 13.226 21.733 -4.109 1.00 23.43 H new ATOM 1388 N ILE B 81 9.556 18.179 -4.328 1.00 13.13 N ATOM 1389 CA ILE B 81 10.325 17.028 -4.677 1.00 43.54 C ATOM 1390 C ILE B 81 9.939 16.589 -6.072 1.00 51.30 C ATOM 1391 O ILE B 81 8.792 16.223 -6.323 1.00 65.41 O ATOM 1392 CB ILE B 81 10.109 15.890 -3.632 1.00 70.43 C ATOM 1393 CG1 ILE B 81 10.575 16.364 -2.239 1.00 24.32 C ATOM 1394 CG2 ILE B 81 10.847 14.630 -4.036 1.00 62.43 C ATOM 1395 CD1 ILE B 81 10.434 15.330 -1.137 1.00 1.24 C ATOM 0 H ILE B 81 8.558 17.998 -4.224 1.00 13.13 H new ATOM 0 HA ILE B 81 11.387 17.271 -4.668 1.00 43.54 H new ATOM 0 HB ILE B 81 9.045 15.655 -3.593 1.00 70.43 H new ATOM 0 HG12 ILE B 81 11.620 16.666 -2.304 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.004 17.250 -1.962 1.00 24.32 H new ATOM 0 HG21 ILE B 81 10.678 13.854 -3.289 1.00 62.43 H new ATOM 0 HG22 ILE B 81 10.480 14.288 -5.004 1.00 62.43 H new ATOM 0 HG23 ILE B 81 11.914 14.840 -4.106 1.00 62.43 H new ATOM 0 HD11 ILE B 81 10.786 15.752 -0.195 1.00 1.24 H new ATOM 0 HD12 ILE B 81 9.387 15.044 -1.038 1.00 1.24 H new ATOM 0 HD13 ILE B 81 11.028 14.451 -1.385 1.00 1.24 H new ATOM 1407 N SER B 82 10.882 16.642 -6.966 1.00 2.42 N ATOM 1408 CA SER B 82 10.635 16.347 -8.330 1.00 41.31 C ATOM 1409 C SER B 82 11.219 14.965 -8.691 1.00 13.21 C ATOM 1410 O SER B 82 11.630 14.199 -7.788 1.00 35.13 O ATOM 1411 CB SER B 82 11.220 17.472 -9.173 1.00 43.33 C ATOM 1412 OG SER B 82 10.710 18.729 -8.744 1.00 71.34 O ATOM 0 H SER B 82 11.848 16.894 -6.759 1.00 2.42 H new ATOM 0 HA SER B 82 9.565 16.288 -8.530 1.00 41.31 H new ATOM 0 HB2 SER B 82 12.307 17.467 -9.094 1.00 43.33 H new ATOM 0 HB3 SER B 82 10.976 17.313 -10.223 1.00 43.33 H new ATOM 0 HG SER B 82 11.096 19.443 -9.293 1.00 71.34 H new ATOM 1418 N GLN B 83 11.265 14.656 -9.986 1.00 45.12 N ATOM 1419 CA GLN B 83 11.656 13.331 -10.476 1.00 65.34 C ATOM 1420 C GLN B 83 13.036 12.888 -10.022 1.00 13.44 C ATOM 1421 O GLN B 83 13.190 11.772 -9.558 1.00 12.11 O ATOM 1422 CB GLN B 83 11.597 13.298 -11.993 1.00 30.22 C ATOM 1423 CG GLN B 83 10.210 13.485 -12.554 1.00 4.43 C ATOM 1424 CD GLN B 83 10.207 13.618 -14.048 1.00 53.31 C ATOM 1425 OE1 GLN B 83 11.069 13.078 -14.736 1.00 72.33 O ATOM 1426 NE2 GLN B 83 9.240 14.322 -14.565 1.00 45.23 N ATOM 0 H GLN B 83 11.032 15.317 -10.728 1.00 45.12 H new ATOM 0 HA GLN B 83 10.941 12.631 -10.043 1.00 65.34 H new ATOM 0 HB2 GLN B 83 12.247 14.078 -12.389 1.00 30.22 H new ATOM 0 HB3 GLN B 83 11.994 12.345 -12.342 1.00 30.22 H new ATOM 0 HG2 GLN B 83 9.588 12.637 -12.267 1.00 4.43 H new ATOM 0 HG3 GLN B 83 9.760 14.374 -12.113 1.00 4.43 H new ATOM 0 HE21 GLN B 83 8.543 14.755 -13.958 1.00 45.23 H new ATOM 0 HE22 GLN B 83 9.180 14.440 -15.576 1.00 45.23 H new ATOM 1435 N SER B 84 14.022 13.749 -10.126 1.00 55.44 N ATOM 1436 CA SER B 84 15.371 13.382 -9.764 1.00 52.11 C ATOM 1437 C SER B 84 15.515 13.172 -8.256 1.00 62.21 C ATOM 1438 O SER B 84 16.211 12.249 -7.816 1.00 10.02 O ATOM 1439 CB SER B 84 16.338 14.417 -10.290 1.00 45.03 C ATOM 1440 OG SER B 84 16.097 14.630 -11.679 1.00 21.34 O ATOM 0 H SER B 84 13.915 14.708 -10.458 1.00 55.44 H new ATOM 0 HA SER B 84 15.610 12.424 -10.227 1.00 52.11 H new ATOM 0 HB2 SER B 84 16.220 15.352 -9.742 1.00 45.03 H new ATOM 0 HB3 SER B 84 17.364 14.084 -10.135 1.00 45.03 H new ATOM 0 HG SER B 84 16.723 15.303 -12.020 1.00 21.34 H new ATOM 1446 N GLU B 85 14.838 14.019 -7.470 1.00 50.43 N ATOM 1447 CA GLU B 85 14.851 13.887 -6.016 1.00 3.23 C ATOM 1448 C GLU B 85 14.298 12.532 -5.615 1.00 41.23 C ATOM 1449 O GLU B 85 14.943 11.783 -4.882 1.00 11.14 O ATOM 1450 CB GLU B 85 14.017 14.988 -5.330 1.00 33.34 C ATOM 1451 CG GLU B 85 14.572 16.408 -5.370 1.00 42.23 C ATOM 1452 CD GLU B 85 14.770 16.946 -6.754 1.00 44.10 C ATOM 1453 OE1 GLU B 85 13.794 17.063 -7.508 1.00 70.32 O ATOM 1454 OE2 GLU B 85 15.918 17.244 -7.121 1.00 64.25 O ATOM 0 H GLU B 85 14.279 14.797 -7.819 1.00 50.43 H new ATOM 0 HA GLU B 85 15.887 13.987 -5.691 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.028 14.998 -5.789 1.00 33.34 H new ATOM 0 HB3 GLU B 85 13.881 14.708 -4.286 1.00 33.34 H new ATOM 0 HG2 GLU B 85 13.894 17.068 -4.828 1.00 42.23 H new ATOM 0 HG3 GLU B 85 15.526 16.429 -4.843 1.00 42.23 H new ATOM 1461 N LEU B 86 13.135 12.198 -6.158 1.00 73.22 N ATOM 1462 CA LEU B 86 12.481 10.933 -5.876 1.00 10.22 C ATOM 1463 C LEU B 86 13.278 9.760 -6.395 1.00 65.33 C ATOM 1464 O LEU B 86 13.392 8.749 -5.717 1.00 30.50 O ATOM 1465 CB LEU B 86 11.060 10.916 -6.436 1.00 32.54 C ATOM 1466 CG LEU B 86 10.042 11.761 -5.679 1.00 41.02 C ATOM 1467 CD1 LEU B 86 8.730 11.823 -6.432 1.00 52.52 C ATOM 1468 CD2 LEU B 86 9.819 11.181 -4.289 1.00 23.21 C ATOM 0 H LEU B 86 12.622 12.797 -6.805 1.00 73.22 H new ATOM 0 HA LEU B 86 12.424 10.833 -4.792 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.092 11.259 -7.470 1.00 32.54 H new ATOM 0 HB3 LEU B 86 10.708 9.885 -6.453 1.00 32.54 H new ATOM 0 HG LEU B 86 10.433 12.774 -5.587 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.018 12.431 -5.874 1.00 52.52 H new ATOM 0 HD12 LEU B 86 8.895 12.267 -7.414 1.00 52.52 H new ATOM 0 HD13 LEU B 86 8.331 10.816 -6.552 1.00 52.52 H new ATOM 0 HD21 LEU B 86 9.090 11.790 -3.753 1.00 23.21 H new ATOM 0 HD22 LEU B 86 9.446 10.161 -4.376 1.00 23.21 H new ATOM 0 HD23 LEU B 86 10.761 11.177 -3.741 1.00 23.21 H new ATOM 1480 N ALA B 87 13.848 9.908 -7.577 1.00 4.44 N ATOM 1481 CA ALA B 87 14.656 8.861 -8.180 1.00 14.42 C ATOM 1482 C ALA B 87 15.817 8.496 -7.273 1.00 35.03 C ATOM 1483 O ALA B 87 16.026 7.319 -6.964 1.00 72.55 O ATOM 1484 CB ALA B 87 15.174 9.305 -9.535 1.00 1.41 C ATOM 0 H ALA B 87 13.765 10.752 -8.144 1.00 4.44 H new ATOM 0 HA ALA B 87 14.028 7.980 -8.316 1.00 14.42 H new ATOM 0 HB1 ALA B 87 15.777 8.509 -9.973 1.00 1.41 H new ATOM 0 HB2 ALA B 87 14.333 9.526 -10.192 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.785 10.200 -9.416 1.00 1.41 H new ATOM 1490 N ALA B 88 16.534 9.505 -6.812 1.00 4.14 N ATOM 1491 CA ALA B 88 17.663 9.303 -5.929 1.00 53.23 C ATOM 1492 C ALA B 88 17.239 8.696 -4.591 1.00 34.22 C ATOM 1493 O ALA B 88 17.876 7.756 -4.100 1.00 30.41 O ATOM 1494 CB ALA B 88 18.406 10.612 -5.708 1.00 24.13 C ATOM 0 H ALA B 88 16.349 10.482 -7.039 1.00 4.14 H new ATOM 0 HA ALA B 88 18.333 8.592 -6.412 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.252 10.442 -5.042 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.767 10.991 -6.664 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.732 11.342 -5.260 1.00 24.13 H new ATOM 1500 N LEU B 89 16.151 9.208 -4.015 1.00 71.12 N ATOM 1501 CA LEU B 89 15.695 8.740 -2.704 1.00 42.20 C ATOM 1502 C LEU B 89 15.179 7.302 -2.763 1.00 63.22 C ATOM 1503 O LEU B 89 15.492 6.478 -1.892 1.00 30.24 O ATOM 1504 CB LEU B 89 14.569 9.642 -2.156 1.00 60.54 C ATOM 1505 CG LEU B 89 14.894 11.126 -1.928 1.00 63.34 C ATOM 1506 CD1 LEU B 89 13.659 11.867 -1.443 1.00 60.14 C ATOM 1507 CD2 LEU B 89 16.029 11.292 -0.933 1.00 50.33 C ATOM 0 H LEU B 89 15.574 9.939 -4.430 1.00 71.12 H new ATOM 0 HA LEU B 89 16.560 8.782 -2.042 1.00 42.20 H new ATOM 0 HB2 LEU B 89 13.727 9.585 -2.846 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.234 9.222 -1.208 1.00 60.54 H new ATOM 0 HG LEU B 89 15.213 11.551 -2.880 1.00 63.34 H new ATOM 0 HD11 LEU B 89 13.903 12.917 -1.285 1.00 60.14 H new ATOM 0 HD12 LEU B 89 12.869 11.786 -2.190 1.00 60.14 H new ATOM 0 HD13 LEU B 89 13.317 11.429 -0.505 1.00 60.14 H new ATOM 0 HD21 LEU B 89 16.237 12.353 -0.792 1.00 50.33 H new ATOM 0 HD22 LEU B 89 15.745 10.848 0.021 1.00 50.33 H new ATOM 0 HD23 LEU B 89 16.922 10.795 -1.313 1.00 50.33 H new ATOM 1519 N LEU B 90 14.454 6.973 -3.812 1.00 61.11 N ATOM 1520 CA LEU B 90 13.827 5.666 -3.915 1.00 33.50 C ATOM 1521 C LEU B 90 14.746 4.637 -4.554 1.00 13.04 C ATOM 1522 O LEU B 90 14.397 3.452 -4.611 1.00 54.12 O ATOM 1523 CB LEU B 90 12.528 5.757 -4.720 1.00 1.13 C ATOM 1524 CG LEU B 90 11.506 6.808 -4.271 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.291 6.774 -5.168 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.105 6.615 -2.822 1.00 43.42 C ATOM 0 H LEU B 90 14.283 7.590 -4.606 1.00 61.11 H new ATOM 0 HA LEU B 90 13.609 5.338 -2.898 1.00 33.50 H new ATOM 0 HB2 LEU B 90 12.787 5.958 -5.760 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.044 4.781 -4.695 1.00 1.13 H new ATOM 0 HG LEU B 90 11.978 7.787 -4.352 1.00 1.25 H new ATOM 0 HD11 LEU B 90 9.574 7.525 -4.838 1.00 24.05 H new ATOM 0 HD12 LEU B 90 10.591 6.985 -6.195 1.00 24.05 H new ATOM 0 HD13 LEU B 90 9.831 5.787 -5.120 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.380 7.378 -2.540 1.00 43.42 H new ATOM 0 HD22 LEU B 90 10.660 5.628 -2.696 1.00 43.42 H new ATOM 0 HD23 LEU B 90 11.986 6.700 -2.186 1.00 43.42 H new ATOM 1538 N GLU B 91 15.922 5.084 -5.009 1.00 45.33 N ATOM 1539 CA GLU B 91 16.917 4.224 -5.684 1.00 22.43 C ATOM 1540 C GLU B 91 16.353 3.689 -7.008 1.00 63.31 C ATOM 1541 O GLU B 91 16.655 2.560 -7.430 1.00 72.53 O ATOM 1542 CB GLU B 91 17.353 3.052 -4.782 1.00 34.10 C ATOM 1543 CG GLU B 91 17.957 3.466 -3.456 1.00 74.02 C ATOM 1544 CD GLU B 91 18.407 2.280 -2.652 1.00 63.23 C ATOM 1545 OE1 GLU B 91 19.556 1.849 -2.827 1.00 73.13 O ATOM 1546 OE2 GLU B 91 17.616 1.759 -1.833 1.00 54.24 O ATOM 0 H GLU B 91 16.217 6.056 -4.922 1.00 45.33 H new ATOM 0 HA GLU B 91 17.795 4.835 -5.892 1.00 22.43 H new ATOM 0 HB2 GLU B 91 16.488 2.418 -4.590 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.079 2.445 -5.323 1.00 34.10 H new ATOM 0 HG2 GLU B 91 18.805 4.127 -3.634 1.00 74.02 H new ATOM 0 HG3 GLU B 91 17.224 4.035 -2.885 1.00 74.02 H new ATOM 1553 N VAL B 92 15.583 4.509 -7.677 1.00 33.53 N ATOM 1554 CA VAL B 92 14.961 4.134 -8.925 1.00 2.41 C ATOM 1555 C VAL B 92 15.353 5.138 -9.978 1.00 32.32 C ATOM 1556 O VAL B 92 15.957 6.155 -9.663 1.00 23.34 O ATOM 1557 CB VAL B 92 13.399 4.068 -8.826 1.00 63.23 C ATOM 1558 CG1 VAL B 92 12.953 3.001 -7.838 1.00 12.32 C ATOM 1559 CG2 VAL B 92 12.806 5.427 -8.450 1.00 4.10 C ATOM 0 H VAL B 92 15.368 5.458 -7.372 1.00 33.53 H new ATOM 0 HA VAL B 92 15.308 3.134 -9.184 1.00 2.41 H new ATOM 0 HB VAL B 92 13.024 3.796 -9.813 1.00 63.23 H new ATOM 0 HG11 VAL B 92 11.864 2.980 -7.792 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.321 2.028 -8.163 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.354 3.229 -6.850 1.00 12.32 H new ATOM 0 HG21 VAL B 92 11.721 5.346 -8.390 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.201 5.741 -7.484 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.074 6.163 -9.208 1.00 4.10 H new ATOM 1569 N SER B 93 15.046 4.863 -11.200 1.00 35.42 N ATOM 1570 CA SER B 93 15.332 5.789 -12.248 1.00 0.14 C ATOM 1571 C SER B 93 14.259 6.882 -12.298 1.00 54.44 C ATOM 1572 O SER B 93 13.129 6.686 -11.807 1.00 24.14 O ATOM 1573 CB SER B 93 15.419 5.040 -13.557 1.00 23.34 C ATOM 1574 OG SER B 93 16.399 4.015 -13.458 1.00 1.11 O ATOM 0 H SER B 93 14.594 4.000 -11.501 1.00 35.42 H new ATOM 0 HA SER B 93 16.288 6.278 -12.061 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.450 4.607 -13.805 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.677 5.726 -14.363 1.00 23.34 H new ATOM 0 HG SER B 93 16.452 3.530 -14.308 1.00 1.11 H new ATOM 1580 N ARG B 94 14.607 8.017 -12.884 1.00 33.45 N ATOM 1581 CA ARG B 94 13.692 9.157 -13.004 1.00 2.32 C ATOM 1582 C ARG B 94 12.469 8.747 -13.804 1.00 72.10 C ATOM 1583 O ARG B 94 11.349 9.096 -13.467 1.00 61.25 O ATOM 1584 CB ARG B 94 14.388 10.322 -13.692 1.00 73.14 C ATOM 1585 CG ARG B 94 15.655 10.788 -13.000 1.00 54.32 C ATOM 1586 CD ARG B 94 16.348 11.861 -13.811 1.00 53.33 C ATOM 1587 NE ARG B 94 15.560 13.084 -13.918 1.00 21.14 N ATOM 1588 CZ ARG B 94 15.099 13.612 -15.058 1.00 13.43 C ATOM 1589 NH1 ARG B 94 15.180 12.935 -16.206 1.00 20.31 N ATOM 1590 NH2 ARG B 94 14.506 14.789 -15.034 1.00 44.34 N ATOM 0 H ARG B 94 15.528 8.180 -13.291 1.00 33.45 H new ATOM 0 HA ARG B 94 13.386 9.470 -12.006 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.632 10.032 -14.714 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.693 11.159 -13.755 1.00 73.14 H new ATOM 0 HG2 ARG B 94 15.413 11.174 -12.010 1.00 54.32 H new ATOM 0 HG3 ARG B 94 16.328 9.943 -12.857 1.00 54.32 H new ATOM 0 HD2 ARG B 94 17.310 12.092 -13.353 1.00 53.33 H new ATOM 0 HD3 ARG B 94 16.555 11.478 -14.810 1.00 53.33 H new ATOM 0 HE ARG B 94 15.342 13.578 -13.052 1.00 21.14 H new ATOM 0 HH11 ARG B 94 15.597 12.004 -16.221 1.00 20.31 H new ATOM 0 HH12 ARG B 94 14.825 13.349 -17.068 1.00 20.31 H new ATOM 0 HH21 ARG B 94 14.402 15.290 -14.151 1.00 44.34 H new ATOM 0 HH22 ARG B 94 14.152 15.199 -15.898 1.00 44.34 H new ATOM 1604 N GLN B 95 12.708 7.963 -14.842 1.00 63.51 N ATOM 1605 CA GLN B 95 11.658 7.414 -15.692 1.00 73.10 C ATOM 1606 C GLN B 95 10.690 6.552 -14.876 1.00 21.43 C ATOM 1607 O GLN B 95 9.473 6.592 -15.091 1.00 63.01 O ATOM 1608 CB GLN B 95 12.302 6.575 -16.789 1.00 14.11 C ATOM 1609 CG GLN B 95 11.334 5.801 -17.663 1.00 34.33 C ATOM 1610 CD GLN B 95 12.053 4.925 -18.660 1.00 13.43 C ATOM 1611 OE1 GLN B 95 13.151 5.256 -19.127 1.00 35.21 O ATOM 1612 NE2 GLN B 95 11.478 3.799 -18.961 1.00 24.53 N ATOM 0 H GLN B 95 13.648 7.685 -15.124 1.00 63.51 H new ATOM 0 HA GLN B 95 11.090 8.234 -16.132 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.895 7.232 -17.425 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.993 5.870 -16.327 1.00 14.11 H new ATOM 0 HG2 GLN B 95 10.691 5.184 -17.035 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.686 6.499 -18.194 1.00 34.33 H new ATOM 0 HE21 GLN B 95 10.573 3.564 -18.554 1.00 24.53 H new ATOM 0 HE22 GLN B 95 11.932 3.150 -19.604 1.00 24.53 H new ATOM 1621 N THR B 96 11.236 5.811 -13.935 1.00 21.22 N ATOM 1622 CA THR B 96 10.478 4.914 -13.110 1.00 0.23 C ATOM 1623 C THR B 96 9.509 5.686 -12.207 1.00 24.14 C ATOM 1624 O THR B 96 8.311 5.396 -12.190 1.00 5.35 O ATOM 1625 CB THR B 96 11.444 4.081 -12.264 1.00 71.41 C ATOM 1626 OG1 THR B 96 12.477 3.575 -13.132 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.723 2.915 -11.600 1.00 50.43 C ATOM 0 H THR B 96 12.234 5.820 -13.724 1.00 21.22 H new ATOM 0 HA THR B 96 9.886 4.257 -13.747 1.00 0.23 H new ATOM 0 HB THR B 96 11.868 4.706 -11.478 1.00 71.41 H new ATOM 0 HG1 THR B 96 13.109 3.039 -12.610 1.00 40.00 H new ATOM 0 HG21 THR B 96 11.432 2.340 -11.005 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.933 3.297 -10.953 1.00 50.43 H new ATOM 0 HG23 THR B 96 10.287 2.273 -12.366 1.00 50.43 H new ATOM 1635 N ILE B 97 10.017 6.686 -11.489 1.00 3.24 N ATOM 1636 CA ILE B 97 9.161 7.471 -10.608 1.00 15.23 C ATOM 1637 C ILE B 97 8.180 8.333 -11.417 1.00 54.43 C ATOM 1638 O ILE B 97 7.027 8.503 -11.029 1.00 12.25 O ATOM 1639 CB ILE B 97 9.963 8.328 -9.571 1.00 61.33 C ATOM 1640 CG1 ILE B 97 9.015 9.079 -8.633 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.924 9.298 -10.250 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.128 8.181 -7.791 1.00 15.23 C ATOM 0 H ILE B 97 10.998 6.967 -11.500 1.00 3.24 H new ATOM 0 HA ILE B 97 8.584 6.757 -10.021 1.00 15.23 H new ATOM 0 HB ILE B 97 10.562 7.635 -8.980 1.00 61.33 H new ATOM 0 HG12 ILE B 97 9.605 9.712 -7.970 1.00 13.20 H new ATOM 0 HG13 ILE B 97 8.384 9.740 -9.227 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.458 9.871 -9.492 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.639 8.739 -10.854 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.362 9.978 -10.890 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.488 8.794 -7.156 1.00 15.23 H new ATOM 0 HD12 ILE B 97 7.509 7.566 -8.444 1.00 15.23 H new ATOM 0 HD13 ILE B 97 8.749 7.537 -7.168 1.00 15.23 H new ATOM 1654 N ASN B 98 8.630 8.815 -12.560 1.00 30.33 N ATOM 1655 CA ASN B 98 7.785 9.585 -13.472 1.00 60.42 C ATOM 1656 C ASN B 98 6.624 8.701 -13.950 1.00 3.24 C ATOM 1657 O ASN B 98 5.491 9.155 -14.119 1.00 13.11 O ATOM 1658 CB ASN B 98 8.608 10.096 -14.658 1.00 64.50 C ATOM 1659 CG ASN B 98 7.856 11.045 -15.574 1.00 24.43 C ATOM 1660 OD1 ASN B 98 8.101 11.068 -16.780 1.00 33.15 O ATOM 1661 ND2 ASN B 98 7.002 11.870 -15.032 1.00 74.02 N ATOM 0 H ASN B 98 9.588 8.688 -12.888 1.00 30.33 H new ATOM 0 HA ASN B 98 7.380 10.452 -12.951 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.496 10.602 -14.279 1.00 64.50 H new ATOM 0 HB3 ASN B 98 8.953 9.242 -15.242 1.00 64.50 H new ATOM 0 HD21 ASN B 98 6.518 12.556 -15.611 1.00 74.02 H new ATOM 0 HD22 ASN B 98 6.818 11.828 -14.030 1.00 74.02 H new ATOM 1668 N GLY B 99 6.929 7.430 -14.155 1.00 32.15 N ATOM 1669 CA GLY B 99 5.931 6.451 -14.531 1.00 62.40 C ATOM 1670 C GLY B 99 4.905 6.248 -13.422 1.00 51.22 C ATOM 1671 O GLY B 99 3.732 5.930 -13.691 1.00 73.51 O ATOM 0 H GLY B 99 7.872 7.052 -14.065 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.426 6.775 -15.441 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.417 5.502 -14.757 1.00 62.40 H new ATOM 1675 N ILE B 100 5.352 6.388 -12.178 1.00 55.13 N ATOM 1676 CA ILE B 100 4.482 6.323 -11.009 1.00 14.23 C ATOM 1677 C ILE B 100 3.568 7.548 -10.992 1.00 12.31 C ATOM 1678 O ILE B 100 2.376 7.427 -10.770 1.00 62.21 O ATOM 1679 CB ILE B 100 5.308 6.286 -9.679 1.00 13.40 C ATOM 1680 CG1 ILE B 100 6.261 5.076 -9.641 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.400 6.296 -8.446 1.00 62.42 C ATOM 1682 CD1 ILE B 100 5.574 3.730 -9.722 1.00 51.13 C ATOM 0 H ILE B 100 6.333 6.551 -11.951 1.00 55.13 H new ATOM 0 HA ILE B 100 3.896 5.406 -11.075 1.00 14.23 H new ATOM 0 HB ILE B 100 5.911 7.194 -9.656 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.966 5.160 -10.468 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.843 5.117 -8.720 1.00 21.05 H new ATOM 0 HG21 ILE B 100 5.011 6.270 -7.544 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.794 7.202 -8.448 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.747 5.423 -8.468 1.00 62.42 H new ATOM 0 HD11 ILE B 100 6.321 2.937 -9.688 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.890 3.619 -8.881 1.00 51.13 H new ATOM 0 HD13 ILE B 100 5.015 3.662 -10.655 1.00 51.13 H new ATOM 1694 N GLU B 101 4.146 8.716 -11.268 1.00 42.35 N ATOM 1695 CA GLU B 101 3.405 9.990 -11.318 1.00 14.13 C ATOM 1696 C GLU B 101 2.285 9.937 -12.340 1.00 62.12 C ATOM 1697 O GLU B 101 1.205 10.485 -12.123 1.00 33.44 O ATOM 1698 CB GLU B 101 4.334 11.106 -11.751 1.00 72.22 C ATOM 1699 CG GLU B 101 5.524 11.340 -10.867 1.00 22.14 C ATOM 1700 CD GLU B 101 6.458 12.364 -11.457 1.00 2.35 C ATOM 1701 OE1 GLU B 101 6.015 13.174 -12.310 1.00 14.03 O ATOM 1702 OE2 GLU B 101 7.643 12.385 -11.077 1.00 12.42 O ATOM 0 H GLU B 101 5.142 8.813 -11.465 1.00 42.35 H new ATOM 0 HA GLU B 101 2.999 10.165 -10.322 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.690 10.888 -12.758 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.760 12.031 -11.809 1.00 72.22 H new ATOM 0 HG2 GLU B 101 5.189 11.675 -9.885 1.00 22.14 H new ATOM 0 HG3 GLU B 101 6.058 10.402 -10.719 1.00 22.14 H new ATOM 1709 N LYS B 102 2.536 9.253 -13.433 1.00 72.42 N ATOM 1710 CA LYS B 102 1.572 9.144 -14.506 1.00 3.42 C ATOM 1711 C LYS B 102 0.711 7.895 -14.357 1.00 64.33 C ATOM 1712 O LYS B 102 -0.002 7.532 -15.278 1.00 74.05 O ATOM 1713 CB LYS B 102 2.284 9.153 -15.868 1.00 71.34 C ATOM 1714 CG LYS B 102 3.079 10.425 -16.122 1.00 73.40 C ATOM 1715 CD LYS B 102 3.667 10.485 -17.521 1.00 3.32 C ATOM 1716 CE LYS B 102 4.690 9.393 -17.770 1.00 11.20 C ATOM 1717 NZ LYS B 102 5.276 9.507 -19.123 1.00 30.21 N ATOM 0 H LYS B 102 3.411 8.758 -13.604 1.00 72.42 H new ATOM 0 HA LYS B 102 0.910 10.009 -14.451 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.955 8.296 -15.925 1.00 71.34 H new ATOM 0 HB3 LYS B 102 1.543 9.032 -16.658 1.00 71.34 H new ATOM 0 HG2 LYS B 102 2.432 11.289 -15.968 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.885 10.496 -15.391 1.00 73.40 H new ATOM 0 HD2 LYS B 102 2.864 10.399 -18.253 1.00 3.32 H new ATOM 0 HD3 LYS B 102 4.135 11.458 -17.673 1.00 3.32 H new ATOM 0 HE2 LYS B 102 5.481 9.454 -17.022 1.00 11.20 H new ATOM 0 HE3 LYS B 102 4.219 8.417 -17.656 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 5.972 8.747 -19.265 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 4.523 9.424 -19.836 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 5.746 10.430 -19.221 1.00 30.21 H new ATOM 1731 N ASN B 103 0.812 7.245 -13.181 1.00 21.34 N ATOM 1732 CA ASN B 103 0.046 6.020 -12.784 1.00 41.10 C ATOM 1733 C ASN B 103 0.190 4.876 -13.792 1.00 30.41 C ATOM 1734 O ASN B 103 -0.542 3.884 -13.736 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.478 6.329 -12.476 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.432 6.558 -13.689 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -2.317 5.943 -14.756 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.379 7.451 -13.523 1.00 15.22 N ATOM 0 H ASN B 103 1.448 7.559 -12.448 1.00 21.34 H new ATOM 0 HA ASN B 103 0.501 5.681 -11.853 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.876 5.502 -11.888 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.519 7.217 -11.845 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -4.034 7.647 -14.280 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -3.460 7.949 -12.637 1.00 15.22 H new ATOM 1745 N LYS B 104 1.231 4.925 -14.594 1.00 23.05 N ATOM 1746 CA LYS B 104 1.332 4.049 -15.725 1.00 71.21 C ATOM 1747 C LYS B 104 2.117 2.824 -15.333 1.00 63.12 C ATOM 1748 O LYS B 104 1.851 1.717 -15.806 1.00 54.40 O ATOM 1749 CB LYS B 104 2.040 4.777 -16.871 1.00 54.41 C ATOM 1750 CG LYS B 104 2.061 4.027 -18.193 1.00 51.33 C ATOM 1751 CD LYS B 104 0.680 3.958 -18.833 1.00 14.11 C ATOM 1752 CE LYS B 104 0.733 3.237 -20.175 1.00 53.22 C ATOM 1753 NZ LYS B 104 0.956 1.773 -20.035 1.00 30.43 N ATOM 0 H LYS B 104 2.017 5.565 -14.478 1.00 23.05 H new ATOM 0 HA LYS B 104 0.336 3.751 -16.053 1.00 71.21 H new ATOM 0 HB2 LYS B 104 1.554 5.740 -17.025 1.00 54.41 H new ATOM 0 HB3 LYS B 104 3.067 4.983 -16.571 1.00 54.41 H new ATOM 0 HG2 LYS B 104 2.753 4.518 -18.877 1.00 51.33 H new ATOM 0 HG3 LYS B 104 2.436 3.017 -18.030 1.00 51.33 H new ATOM 0 HD2 LYS B 104 -0.008 3.440 -18.165 1.00 14.11 H new ATOM 0 HD3 LYS B 104 0.290 4.966 -18.973 1.00 14.11 H new ATOM 0 HE2 LYS B 104 -0.201 3.408 -20.711 1.00 53.22 H new ATOM 0 HE3 LYS B 104 1.532 3.665 -20.781 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 0.949 1.329 -20.976 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 1.875 1.604 -19.579 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 0.199 1.361 -19.452 1.00 30.43 H new ATOM 1767 N TYR B 105 3.052 3.025 -14.435 1.00 74.05 N ATOM 1768 CA TYR B 105 3.952 1.982 -14.002 1.00 12.53 C ATOM 1769 C TYR B 105 3.239 0.993 -13.079 1.00 13.41 C ATOM 1770 O TYR B 105 3.633 -0.169 -12.990 1.00 2.12 O ATOM 1771 CB TYR B 105 5.137 2.629 -13.277 1.00 73.50 C ATOM 1772 CG TYR B 105 6.312 1.718 -13.074 1.00 32.23 C ATOM 1773 CD1 TYR B 105 7.194 1.510 -14.104 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.542 1.075 -11.863 1.00 33.20 C ATOM 1775 CE1 TYR B 105 8.286 0.678 -13.954 1.00 3.04 C ATOM 1776 CE2 TYR B 105 7.628 0.244 -11.698 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.498 0.047 -12.747 1.00 33.11 C ATOM 1778 OH TYR B 105 9.591 -0.789 -12.584 1.00 24.32 O ATOM 0 H TYR B 105 3.211 3.924 -13.980 1.00 74.05 H new ATOM 0 HA TYR B 105 4.305 1.426 -14.870 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.462 3.501 -13.845 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.800 2.989 -12.305 1.00 73.50 H new ATOM 0 HD1 TYR B 105 7.031 2.006 -15.049 1.00 62.14 H new ATOM 0 HD2 TYR B 105 5.860 1.229 -11.040 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.969 0.523 -14.776 1.00 3.04 H new ATOM 0 HE2 TYR B 105 7.796 -0.250 -10.752 1.00 1.32 H new ATOM 0 HH TYR B 105 9.593 -1.152 -11.674 1.00 24.32 H new ATOM 1788 N ASN B 106 2.163 1.470 -12.448 1.00 43.42 N ATOM 1789 CA ASN B 106 1.400 0.722 -11.434 1.00 41.25 C ATOM 1790 C ASN B 106 2.306 0.374 -10.245 1.00 40.41 C ATOM 1791 O ASN B 106 2.983 -0.661 -10.232 1.00 21.44 O ATOM 1792 CB ASN B 106 0.705 -0.537 -11.996 1.00 44.44 C ATOM 1793 CG ASN B 106 -0.198 -1.199 -10.961 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -0.778 -0.525 -10.093 1.00 64.13 O ATOM 1795 ND2 ASN B 106 -0.336 -2.492 -11.037 1.00 53.45 N ATOM 0 H ASN B 106 1.788 2.401 -12.627 1.00 43.42 H new ATOM 0 HA ASN B 106 0.596 1.375 -11.095 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.115 -0.266 -12.872 1.00 44.44 H new ATOM 0 HB3 ASN B 106 1.459 -1.250 -12.328 1.00 44.44 H new ATOM 0 HD21 ASN B 106 -0.935 -2.981 -10.371 1.00 53.45 H new ATOM 0 HD22 ASN B 106 0.155 -3.015 -11.762 1.00 53.45 H new ATOM 1802 N PRO B 107 2.351 1.265 -9.252 1.00 2.41 N ATOM 1803 CA PRO B 107 3.261 1.144 -8.112 1.00 33.40 C ATOM 1804 C PRO B 107 3.029 -0.100 -7.270 1.00 61.13 C ATOM 1805 O PRO B 107 1.886 -0.426 -6.909 1.00 2.50 O ATOM 1806 CB PRO B 107 2.973 2.399 -7.272 1.00 23.24 C ATOM 1807 CG PRO B 107 2.239 3.319 -8.183 1.00 52.51 C ATOM 1808 CD PRO B 107 1.490 2.449 -9.135 1.00 12.41 C ATOM 0 HA PRO B 107 4.292 1.058 -8.456 1.00 33.40 H new ATOM 0 HB2 PRO B 107 2.376 2.156 -6.393 1.00 23.24 H new ATOM 0 HB3 PRO B 107 3.897 2.854 -6.914 1.00 23.24 H new ATOM 0 HG2 PRO B 107 1.558 3.960 -7.623 1.00 52.51 H new ATOM 0 HG3 PRO B 107 2.929 3.974 -8.714 1.00 52.51 H new ATOM 0 HD2 PRO B 107 0.501 2.192 -8.754 1.00 12.41 H new ATOM 0 HD3 PRO B 107 1.344 2.938 -10.098 1.00 12.41 H new ATOM 1816 N SER B 108 4.100 -0.790 -6.981 1.00 32.11 N ATOM 1817 CA SER B 108 4.080 -1.905 -6.098 1.00 31.54 C ATOM 1818 C SER B 108 4.084 -1.361 -4.676 1.00 35.33 C ATOM 1819 O SER B 108 4.344 -0.151 -4.475 1.00 31.14 O ATOM 1820 CB SER B 108 5.315 -2.754 -6.374 1.00 33.24 C ATOM 1821 OG SER B 108 6.472 -1.928 -6.438 1.00 63.24 O ATOM 0 H SER B 108 5.022 -0.582 -7.364 1.00 32.11 H new ATOM 0 HA SER B 108 3.197 -2.528 -6.239 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.435 -3.501 -5.589 1.00 33.24 H new ATOM 0 HB3 SER B 108 5.192 -3.294 -7.313 1.00 33.24 H new ATOM 0 HG SER B 108 6.853 -1.968 -7.340 1.00 63.24 H new ATOM 1827 N LEU B 109 3.813 -2.190 -3.700 1.00 41.22 N ATOM 1828 CA LEU B 109 3.750 -1.703 -2.350 1.00 3.42 C ATOM 1829 C LEU B 109 5.148 -1.312 -1.856 1.00 71.35 C ATOM 1830 O LEU B 109 5.284 -0.336 -1.137 1.00 31.14 O ATOM 1831 CB LEU B 109 2.996 -2.687 -1.415 1.00 34.44 C ATOM 1832 CG LEU B 109 2.494 -2.138 -0.043 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.616 -2.020 0.982 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.797 -0.773 -0.232 1.00 44.53 C ATOM 0 H LEU B 109 3.636 -3.188 -3.813 1.00 41.22 H new ATOM 0 HA LEU B 109 3.153 -0.791 -2.330 1.00 3.42 H new ATOM 0 HB2 LEU B 109 2.134 -3.073 -1.958 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.653 -3.534 -1.218 1.00 34.44 H new ATOM 0 HG LEU B 109 1.776 -2.860 0.347 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.214 -1.634 1.919 1.00 22.03 H new ATOM 0 HD12 LEU B 109 4.057 -3.002 1.154 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.381 -1.340 0.607 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.453 -0.403 0.734 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.501 -0.061 -0.663 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.944 -0.889 -0.901 1.00 44.53 H new ATOM 1846 N GLN B 110 6.187 -2.042 -2.281 1.00 2.30 N ATOM 1847 CA GLN B 110 7.576 -1.687 -1.955 1.00 25.44 C ATOM 1848 C GLN B 110 7.901 -0.252 -2.409 1.00 14.52 C ATOM 1849 O GLN B 110 8.426 0.548 -1.631 1.00 12.34 O ATOM 1850 CB GLN B 110 8.534 -2.701 -2.612 1.00 43.20 C ATOM 1851 CG GLN B 110 10.030 -2.468 -2.380 1.00 23.12 C ATOM 1852 CD GLN B 110 10.439 -2.477 -0.913 1.00 1.11 C ATOM 1853 OE1 GLN B 110 10.475 -1.445 -0.254 1.00 21.35 O ATOM 1854 NE2 GLN B 110 10.743 -3.628 -0.391 1.00 45.30 N ATOM 0 H GLN B 110 6.093 -2.882 -2.851 1.00 2.30 H new ATOM 0 HA GLN B 110 7.705 -1.725 -0.873 1.00 25.44 H new ATOM 0 HB2 GLN B 110 8.282 -3.697 -2.247 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.350 -2.700 -3.686 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.593 -3.237 -2.908 1.00 23.12 H new ATOM 0 HG3 GLN B 110 10.310 -1.510 -2.819 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.705 -4.473 -0.961 1.00 45.30 H new ATOM 0 HE22 GLN B 110 11.019 -3.686 0.589 1.00 45.30 H new ATOM 1863 N LEU B 111 7.582 0.071 -3.651 1.00 33.52 N ATOM 1864 CA LEU B 111 7.782 1.430 -4.143 1.00 33.42 C ATOM 1865 C LEU B 111 6.926 2.433 -3.381 1.00 12.12 C ATOM 1866 O LEU B 111 7.401 3.500 -3.010 1.00 53.21 O ATOM 1867 CB LEU B 111 7.553 1.548 -5.663 1.00 75.22 C ATOM 1868 CG LEU B 111 8.744 1.194 -6.586 1.00 12.11 C ATOM 1869 CD1 LEU B 111 9.240 -0.228 -6.377 1.00 72.44 C ATOM 1870 CD2 LEU B 111 8.364 1.415 -8.042 1.00 1.23 C ATOM 0 H LEU B 111 7.188 -0.578 -4.332 1.00 33.52 H new ATOM 0 HA LEU B 111 8.829 1.672 -3.960 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.715 0.904 -5.930 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.249 2.572 -5.881 1.00 75.22 H new ATOM 0 HG LEU B 111 9.566 1.859 -6.321 1.00 12.11 H new ATOM 0 HD11 LEU B 111 10.076 -0.424 -7.049 1.00 72.44 H new ATOM 0 HD12 LEU B 111 9.568 -0.351 -5.345 1.00 72.44 H new ATOM 0 HD13 LEU B 111 8.433 -0.930 -6.587 1.00 72.44 H new ATOM 0 HD21 LEU B 111 9.210 1.163 -8.681 1.00 1.23 H new ATOM 0 HD22 LEU B 111 7.515 0.781 -8.297 1.00 1.23 H new ATOM 0 HD23 LEU B 111 8.094 2.460 -8.193 1.00 1.23 H new ATOM 1882 N ALA B 112 5.698 2.061 -3.098 1.00 72.35 N ATOM 1883 CA ALA B 112 4.772 2.936 -2.402 1.00 41.10 C ATOM 1884 C ALA B 112 5.216 3.217 -0.956 1.00 44.34 C ATOM 1885 O ALA B 112 5.132 4.358 -0.488 1.00 24.52 O ATOM 1886 CB ALA B 112 3.367 2.352 -2.431 1.00 4.33 C ATOM 0 H ALA B 112 5.311 1.149 -3.341 1.00 72.35 H new ATOM 0 HA ALA B 112 4.768 3.891 -2.927 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.685 3.020 -1.905 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.041 2.240 -3.465 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.368 1.377 -1.944 1.00 4.33 H new ATOM 1892 N LEU B 113 5.726 2.195 -0.271 1.00 33.43 N ATOM 1893 CA LEU B 113 6.105 2.312 1.130 1.00 23.45 C ATOM 1894 C LEU B 113 7.253 3.289 1.312 1.00 50.21 C ATOM 1895 O LEU B 113 7.264 4.091 2.249 1.00 21.23 O ATOM 1896 CB LEU B 113 6.407 0.908 1.750 1.00 32.41 C ATOM 1897 CG LEU B 113 7.692 0.137 1.348 1.00 61.44 C ATOM 1898 CD1 LEU B 113 8.923 0.599 2.132 1.00 11.43 C ATOM 1899 CD2 LEU B 113 7.488 -1.356 1.521 1.00 70.53 C ATOM 0 H LEU B 113 5.886 1.270 -0.671 1.00 33.43 H new ATOM 0 HA LEU B 113 5.258 2.723 1.679 1.00 23.45 H new ATOM 0 HB2 LEU B 113 6.429 1.031 2.833 1.00 32.41 H new ATOM 0 HB3 LEU B 113 5.558 0.264 1.520 1.00 32.41 H new ATOM 0 HG LEU B 113 7.880 0.357 0.297 1.00 61.44 H new ATOM 0 HD11 LEU B 113 9.794 0.027 1.812 1.00 11.43 H new ATOM 0 HD12 LEU B 113 9.096 1.659 1.946 1.00 11.43 H new ATOM 0 HD13 LEU B 113 8.757 0.440 3.197 1.00 11.43 H new ATOM 0 HD21 LEU B 113 8.398 -1.883 1.235 1.00 70.53 H new ATOM 0 HD22 LEU B 113 7.255 -1.573 2.564 1.00 70.53 H new ATOM 0 HD23 LEU B 113 6.664 -1.686 0.889 1.00 70.53 H new ATOM 1911 N LYS B 114 8.217 3.226 0.422 1.00 52.33 N ATOM 1912 CA LYS B 114 9.340 4.121 0.493 1.00 54.10 C ATOM 1913 C LYS B 114 8.953 5.556 0.167 1.00 25.41 C ATOM 1914 O LYS B 114 9.462 6.490 0.787 1.00 42.33 O ATOM 1915 CB LYS B 114 10.553 3.585 -0.276 1.00 63.32 C ATOM 1916 CG LYS B 114 10.278 3.146 -1.702 1.00 23.52 C ATOM 1917 CD LYS B 114 11.467 2.400 -2.287 1.00 64.34 C ATOM 1918 CE LYS B 114 11.768 1.137 -1.475 1.00 3.10 C ATOM 1919 NZ LYS B 114 12.927 0.386 -2.004 1.00 33.32 N ATOM 0 H LYS B 114 8.243 2.566 -0.355 1.00 52.33 H new ATOM 0 HA LYS B 114 9.671 4.160 1.531 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.321 4.358 -0.294 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.965 2.739 0.274 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.397 2.505 -1.724 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.054 4.018 -2.317 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.260 2.131 -3.323 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.342 3.050 -2.295 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.961 1.413 -0.438 1.00 3.10 H new ATOM 0 HE3 LYS B 114 10.890 0.491 -1.475 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 13.089 -0.459 -1.420 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 12.735 0.098 -2.985 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.773 0.991 -1.980 1.00 33.32 H new ATOM 1933 N ILE B 115 8.015 5.726 -0.766 1.00 54.11 N ATOM 1934 CA ILE B 115 7.485 7.055 -1.081 1.00 1.24 C ATOM 1935 C ILE B 115 6.818 7.632 0.169 1.00 2.41 C ATOM 1936 O ILE B 115 7.074 8.776 0.555 1.00 64.12 O ATOM 1937 CB ILE B 115 6.436 7.009 -2.235 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.076 6.521 -3.539 1.00 62.35 C ATOM 1939 CG2 ILE B 115 5.801 8.380 -2.435 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.101 6.362 -4.695 1.00 35.31 C ATOM 0 H ILE B 115 7.609 4.967 -1.313 1.00 54.11 H new ATOM 0 HA ILE B 115 8.317 7.679 -1.407 1.00 1.24 H new ATOM 0 HB ILE B 115 5.656 6.302 -1.954 1.00 62.52 H new ATOM 0 HG12 ILE B 115 7.857 7.223 -3.832 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.562 5.563 -3.355 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.072 8.329 -3.244 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.302 8.688 -1.516 1.00 5.22 H new ATOM 0 HG23 ILE B 115 6.574 9.105 -2.689 1.00 5.22 H new ATOM 0 HD11 ILE B 115 6.637 6.013 -5.578 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.333 5.636 -4.426 1.00 35.31 H new ATOM 0 HD13 ILE B 115 5.633 7.322 -4.911 1.00 35.31 H new ATOM 1952 N ALA B 116 6.040 6.791 0.831 1.00 44.20 N ATOM 1953 CA ALA B 116 5.317 7.156 2.040 1.00 11.21 C ATOM 1954 C ALA B 116 6.275 7.639 3.112 1.00 70.10 C ATOM 1955 O ALA B 116 6.035 8.646 3.778 1.00 34.45 O ATOM 1956 CB ALA B 116 4.569 5.950 2.565 1.00 53.40 C ATOM 0 H ALA B 116 5.891 5.825 0.541 1.00 44.20 H new ATOM 0 HA ALA B 116 4.620 7.958 1.795 1.00 11.21 H new ATOM 0 HB1 ALA B 116 4.028 6.224 3.471 1.00 53.40 H new ATOM 0 HB2 ALA B 116 3.863 5.603 1.811 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.277 5.153 2.792 1.00 53.40 H new ATOM 1962 N TYR B 117 7.360 6.917 3.250 1.00 50.04 N ATOM 1963 CA TYR B 117 8.358 7.189 4.241 1.00 11.22 C ATOM 1964 C TYR B 117 9.130 8.498 3.974 1.00 40.54 C ATOM 1965 O TYR B 117 9.214 9.351 4.858 1.00 51.22 O ATOM 1966 CB TYR B 117 9.296 5.985 4.356 1.00 31.54 C ATOM 1967 CG TYR B 117 10.480 6.202 5.249 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.351 6.238 6.627 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.728 6.383 4.700 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.447 6.448 7.434 1.00 33.41 C ATOM 1971 CE2 TYR B 117 12.833 6.594 5.491 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.688 6.625 6.861 1.00 45.04 C ATOM 1973 OH TYR B 117 13.785 6.841 7.663 1.00 12.24 O ATOM 0 H TYR B 117 7.573 6.110 2.663 1.00 50.04 H new ATOM 0 HA TYR B 117 7.855 7.344 5.195 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.728 5.132 4.728 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.652 5.721 3.360 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.378 6.100 7.075 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.842 6.359 3.626 1.00 52.31 H new ATOM 0 HE1 TYR B 117 11.335 6.474 8.508 1.00 33.41 H new ATOM 0 HE2 TYR B 117 13.805 6.734 5.043 1.00 14.05 H new ATOM 0 HH TYR B 117 14.583 6.945 7.104 1.00 12.24 H new ATOM 1983 N TYR B 118 9.665 8.670 2.764 1.00 52.41 N ATOM 1984 CA TYR B 118 10.458 9.872 2.456 1.00 3.45 C ATOM 1985 C TYR B 118 9.627 11.139 2.492 1.00 25.43 C ATOM 1986 O TYR B 118 10.079 12.172 2.983 1.00 40.30 O ATOM 1987 CB TYR B 118 11.202 9.763 1.125 1.00 51.32 C ATOM 1988 CG TYR B 118 12.330 8.765 1.126 1.00 74.11 C ATOM 1989 CD1 TYR B 118 13.518 9.037 1.788 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.220 7.568 0.455 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.560 8.136 1.774 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.248 6.661 0.440 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.416 6.948 1.100 1.00 75.33 C ATOM 1994 OH TYR B 118 15.451 6.049 1.062 1.00 10.50 O ATOM 0 H TYR B 118 9.570 8.010 1.992 1.00 52.41 H new ATOM 0 HA TYR B 118 11.204 9.936 3.248 1.00 3.45 H new ATOM 0 HB2 TYR B 118 10.491 9.489 0.346 1.00 51.32 H new ATOM 0 HB3 TYR B 118 11.600 10.743 0.863 1.00 51.32 H new ATOM 0 HD1 TYR B 118 13.628 9.969 2.322 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.305 7.339 -0.071 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.482 8.362 2.289 1.00 72.42 H new ATOM 0 HE2 TYR B 118 13.139 5.726 -0.089 1.00 0.00 H new ATOM 0 HH TYR B 118 15.750 5.933 0.136 1.00 10.50 H new ATOM 2004 N LEU B 119 8.415 11.051 2.013 1.00 43.52 N ATOM 2005 CA LEU B 119 7.518 12.203 2.000 1.00 35.04 C ATOM 2006 C LEU B 119 6.898 12.422 3.376 1.00 52.42 C ATOM 2007 O LEU B 119 6.392 13.511 3.673 1.00 34.31 O ATOM 2008 CB LEU B 119 6.403 12.046 0.929 1.00 34.25 C ATOM 2009 CG LEU B 119 6.771 12.306 -0.560 1.00 75.05 C ATOM 2010 CD1 LEU B 119 7.191 13.744 -0.772 1.00 73.24 C ATOM 2011 CD2 LEU B 119 7.831 11.353 -1.090 1.00 30.33 C ATOM 0 H LEU B 119 8.015 10.198 1.623 1.00 43.52 H new ATOM 0 HA LEU B 119 8.115 13.077 1.740 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.011 11.032 1.003 1.00 34.25 H new ATOM 0 HB3 LEU B 119 5.590 12.722 1.194 1.00 34.25 H new ATOM 0 HG LEU B 119 5.865 12.114 -1.135 1.00 75.05 H new ATOM 0 HD11 LEU B 119 7.443 13.899 -1.821 1.00 73.24 H new ATOM 0 HD12 LEU B 119 6.372 14.407 -0.494 1.00 73.24 H new ATOM 0 HD13 LEU B 119 8.061 13.964 -0.154 1.00 73.24 H new ATOM 0 HD21 LEU B 119 8.042 11.588 -2.133 1.00 30.33 H new ATOM 0 HD22 LEU B 119 8.743 11.460 -0.502 1.00 30.33 H new ATOM 0 HD23 LEU B 119 7.469 10.328 -1.015 1.00 30.33 H new ATOM 2022 N ASN B 120 7.021 11.398 4.229 1.00 23.44 N ATOM 2023 CA ASN B 120 6.372 11.326 5.545 1.00 34.54 C ATOM 2024 C ASN B 120 4.908 11.638 5.381 1.00 23.31 C ATOM 2025 O ASN B 120 4.409 12.712 5.744 1.00 53.04 O ATOM 2026 CB ASN B 120 7.040 12.214 6.618 1.00 0.13 C ATOM 2027 CG ASN B 120 6.443 12.013 8.016 1.00 2.32 C ATOM 2028 OD1 ASN B 120 5.493 12.694 8.421 1.00 41.33 O ATOM 2029 ND2 ASN B 120 6.983 11.086 8.752 1.00 61.11 N ATOM 0 H ASN B 120 7.588 10.577 4.019 1.00 23.44 H new ATOM 0 HA ASN B 120 6.492 10.311 5.924 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.107 11.996 6.650 1.00 0.13 H new ATOM 0 HB3 ASN B 120 6.937 13.261 6.332 1.00 0.13 H new ATOM 0 HD21 ASN B 120 6.624 10.905 9.689 1.00 61.11 H new ATOM 0 HD22 ASN B 120 7.766 10.540 8.392 1.00 61.11 H new ATOM 2036 N THR B 121 4.256 10.765 4.700 1.00 45.02 N ATOM 2037 CA THR B 121 2.884 10.912 4.366 1.00 24.13 C ATOM 2038 C THR B 121 2.286 9.523 4.238 1.00 75.14 C ATOM 2039 O THR B 121 2.916 8.641 3.654 1.00 45.22 O ATOM 2040 CB THR B 121 2.755 11.666 3.012 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.370 12.966 3.106 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.308 11.827 2.610 1.00 53.13 C ATOM 0 H THR B 121 4.674 9.903 4.349 1.00 45.02 H new ATOM 0 HA THR B 121 2.362 11.482 5.134 1.00 24.13 H new ATOM 0 HB THR B 121 3.263 11.072 2.253 1.00 33.24 H new ATOM 0 HG1 THR B 121 3.284 13.431 2.248 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.251 12.358 1.660 1.00 53.13 H new ATOM 0 HG22 THR B 121 0.848 10.844 2.505 1.00 53.13 H new ATOM 0 HG23 THR B 121 0.779 12.395 3.375 1.00 53.13 H new ATOM 2050 N PRO B 122 1.129 9.270 4.849 1.00 2.53 N ATOM 2051 CA PRO B 122 0.460 7.987 4.722 1.00 62.14 C ATOM 2052 C PRO B 122 0.009 7.746 3.279 1.00 22.43 C ATOM 2053 O PRO B 122 -0.344 8.700 2.555 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.750 8.106 5.658 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.964 9.564 5.822 1.00 3.21 C ATOM 2056 CD PRO B 122 0.389 10.196 5.723 1.00 22.03 C ATOM 0 HA PRO B 122 1.109 7.149 4.978 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.629 7.623 5.231 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.557 7.625 6.617 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.631 9.949 5.051 1.00 3.21 H new ATOM 0 HG3 PRO B 122 -1.428 9.784 6.784 1.00 3.21 H new ATOM 0 HD2 PRO B 122 0.336 11.197 5.296 1.00 22.03 H new ATOM 0 HD3 PRO B 122 0.861 10.292 6.701 1.00 22.03 H new ATOM 2064 N LEU B 123 0.013 6.487 2.880 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.354 6.066 1.531 1.00 13.13 C ATOM 2066 C LEU B 123 -1.711 6.575 1.110 1.00 71.12 C ATOM 2067 O LEU B 123 -1.895 6.912 -0.043 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.333 4.549 1.413 1.00 34.12 C ATOM 2069 CG LEU B 123 1.021 3.884 1.558 1.00 42.20 C ATOM 2070 CD1 LEU B 123 0.859 2.383 1.530 1.00 13.21 C ATOM 2071 CD2 LEU B 123 1.954 4.344 0.456 1.00 35.04 C ATOM 0 H LEU B 123 0.275 5.713 3.490 1.00 62.42 H new ATOM 0 HA LEU B 123 0.390 6.502 0.865 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -0.999 4.137 2.171 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.747 4.275 0.442 1.00 34.12 H new ATOM 0 HG LEU B 123 1.459 4.170 2.514 1.00 42.20 H new ATOM 0 HD11 LEU B 123 1.835 1.910 1.635 1.00 13.21 H new ATOM 0 HD12 LEU B 123 0.215 2.071 2.352 1.00 13.21 H new ATOM 0 HD13 LEU B 123 0.410 2.083 0.583 1.00 13.21 H new ATOM 0 HD21 LEU B 123 2.923 3.858 0.573 1.00 35.04 H new ATOM 0 HD22 LEU B 123 1.530 4.080 -0.513 1.00 35.04 H new ATOM 0 HD23 LEU B 123 2.081 5.425 0.514 1.00 35.04 H new ATOM 2082 N GLU B 124 -2.638 6.647 2.052 1.00 41.15 N ATOM 2083 CA GLU B 124 -4.001 7.138 1.795 1.00 25.13 C ATOM 2084 C GLU B 124 -4.033 8.566 1.247 1.00 23.31 C ATOM 2085 O GLU B 124 -4.941 8.922 0.488 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.837 7.039 3.069 1.00 25.40 C ATOM 2087 CG GLU B 124 -5.098 5.612 3.497 1.00 63.30 C ATOM 2088 CD GLU B 124 -5.694 5.497 4.859 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -6.906 5.730 5.019 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -4.952 5.143 5.807 1.00 71.30 O ATOM 0 H GLU B 124 -2.476 6.369 3.020 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.427 6.501 1.020 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.325 7.566 3.874 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.790 7.545 2.912 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.767 5.142 2.776 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -4.160 5.057 3.472 1.00 63.30 H new ATOM 2097 N ASP B 125 -3.097 9.398 1.662 1.00 34.01 N ATOM 2098 CA ASP B 125 -3.010 10.758 1.127 1.00 63.41 C ATOM 2099 C ASP B 125 -2.481 10.735 -0.308 1.00 42.14 C ATOM 2100 O ASP B 125 -2.987 11.438 -1.192 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.138 11.656 2.013 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.115 13.106 1.546 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.138 13.830 1.747 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -1.091 13.569 1.021 1.00 14.52 O ATOM 0 H ASP B 125 -2.390 9.167 2.360 1.00 34.01 H new ATOM 0 HA ASP B 125 -4.015 11.179 1.121 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.507 11.615 3.038 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -1.120 11.267 2.025 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.491 9.878 -0.515 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.768 9.744 -1.782 1.00 73.13 C ATOM 2111 C ILE B 126 -1.636 9.082 -2.860 1.00 51.12 C ATOM 2112 O ILE B 126 -1.804 9.611 -3.970 1.00 44.15 O ATOM 2113 CB ILE B 126 0.547 8.939 -1.585 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.393 9.579 -0.470 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.339 8.888 -2.887 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.660 8.818 -0.130 1.00 50.54 C ATOM 0 H ILE B 126 -1.157 9.240 0.207 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.518 10.749 -2.121 1.00 73.13 H new ATOM 0 HB ILE B 126 0.294 7.919 -1.295 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.662 10.592 -0.770 1.00 75.01 H new ATOM 0 HG13 ILE B 126 0.783 9.664 0.429 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.257 8.321 -2.733 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.740 8.405 -3.659 1.00 14.41 H new ATOM 0 HG23 ILE B 126 1.587 9.902 -3.202 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.195 9.338 0.664 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.402 7.813 0.204 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.295 8.755 -1.014 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.152 7.928 -2.546 1.00 35.15 N ATOM 2129 CA PHE B 127 -2.995 7.211 -3.459 1.00 22.52 C ATOM 2130 C PHE B 127 -4.386 7.156 -2.879 1.00 61.31 C ATOM 2131 O PHE B 127 -4.548 6.961 -1.683 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.453 5.764 -3.680 1.00 0.12 C ATOM 2133 CG PHE B 127 -1.058 5.694 -4.227 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -0.816 5.882 -5.574 1.00 71.31 C ATOM 2135 CD2 PHE B 127 0.014 5.424 -3.386 1.00 50.52 C ATOM 2136 CE1 PHE B 127 0.468 5.806 -6.075 1.00 50.13 C ATOM 2137 CE2 PHE B 127 1.300 5.348 -3.883 1.00 53.10 C ATOM 2138 CZ PHE B 127 1.528 5.540 -5.229 1.00 22.32 C ATOM 0 H PHE B 127 -2.001 7.459 -1.653 1.00 35.15 H new ATOM 0 HA PHE B 127 -3.009 7.719 -4.423 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.483 5.230 -2.730 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.123 5.240 -4.362 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -1.639 6.090 -6.241 1.00 71.31 H new ATOM 0 HD2 PHE B 127 -0.160 5.272 -2.331 1.00 50.52 H new ATOM 0 HE1 PHE B 127 0.645 5.955 -7.130 1.00 50.13 H new ATOM 0 HE2 PHE B 127 2.125 5.139 -3.219 1.00 53.10 H new ATOM 0 HZ PHE B 127 2.533 5.483 -5.621 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.379 7.317 -3.704 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.731 7.204 -3.241 1.00 2.15 C ATOM 2150 C GLN B 128 -7.400 6.048 -3.903 1.00 41.21 C ATOM 2151 O GLN B 128 -7.245 5.805 -5.101 1.00 54.12 O ATOM 2152 CB GLN B 128 -7.556 8.496 -3.378 1.00 43.12 C ATOM 2153 CG GLN B 128 -7.669 9.049 -4.776 1.00 54.21 C ATOM 2154 CD GLN B 128 -8.629 10.216 -4.864 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -9.822 10.044 -5.117 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -8.130 11.402 -4.675 1.00 41.41 N ATOM 0 H GLN B 128 -5.279 7.526 -4.697 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.679 7.025 -2.167 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -8.560 8.307 -2.999 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -7.112 9.259 -2.739 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -6.684 9.367 -5.118 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.001 8.259 -5.450 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -7.137 11.510 -4.467 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -8.731 12.224 -4.735 1.00 41.41 H new ATOM 2165 N TRP B 129 -8.101 5.335 -3.131 1.00 13.44 N ATOM 2166 CA TRP B 129 -8.753 4.149 -3.547 1.00 61.35 C ATOM 2167 C TRP B 129 -10.211 4.245 -3.281 1.00 61.52 C ATOM 2168 O TRP B 129 -10.639 4.412 -2.142 1.00 24.43 O ATOM 2169 CB TRP B 129 -8.134 2.946 -2.840 1.00 14.01 C ATOM 2170 CG TRP B 129 -7.499 3.301 -1.528 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -8.125 3.588 -0.348 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -6.098 3.415 -1.280 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -7.196 3.878 0.611 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -5.939 3.771 0.061 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.963 3.245 -2.071 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -4.689 3.959 0.631 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -3.725 3.432 -1.501 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.597 3.784 -0.164 1.00 31.53 C ATOM 0 H TRP B 129 -8.251 5.560 -2.148 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.620 4.018 -4.621 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.905 2.194 -2.673 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.384 2.495 -3.490 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -9.194 3.586 -0.196 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -7.401 4.132 1.577 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -5.054 2.972 -3.112 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -4.585 4.235 1.670 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.838 3.303 -2.103 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -2.611 3.922 0.254 1.00 31.53 H new ATOM 2189 N GLN B 130 -10.966 4.176 -4.319 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.382 4.229 -4.223 1.00 11.44 C ATOM 2191 C GLN B 130 -12.945 2.874 -4.602 1.00 30.22 C ATOM 2192 O GLN B 130 -13.087 2.569 -5.783 1.00 33.31 O ATOM 2193 CB GLN B 130 -12.949 5.347 -5.123 1.00 44.22 C ATOM 2194 CG GLN B 130 -12.450 6.759 -4.772 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.929 7.262 -3.410 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -13.170 6.489 -2.486 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -13.061 8.547 -3.273 1.00 53.21 N ATOM 0 H GLN B 130 -10.614 4.080 -5.271 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.675 4.464 -3.200 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.689 5.130 -6.159 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -14.037 5.333 -5.058 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.360 6.763 -4.788 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -12.783 7.454 -5.543 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -12.854 9.167 -4.056 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -13.371 8.936 -2.382 1.00 53.21 H new ATOM 2206 N PRO B 131 -13.184 1.993 -3.600 1.00 63.05 N ATOM 2207 CA PRO B 131 -13.746 0.656 -3.837 1.00 13.14 C ATOM 2208 C PRO B 131 -15.184 0.759 -4.311 1.00 44.11 C ATOM 2209 O PRO B 131 -15.692 -0.111 -5.020 1.00 4.41 O ATOM 2210 CB PRO B 131 -13.686 -0.021 -2.454 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.751 0.819 -1.652 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.909 2.212 -2.171 1.00 62.43 C ATOM 0 HA PRO B 131 -13.205 0.102 -4.604 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -14.673 -0.064 -1.993 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -13.326 -1.047 -2.532 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.992 0.768 -0.590 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.723 0.475 -1.763 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.726 2.738 -1.677 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -12.008 2.806 -2.018 1.00 62.43 H new ATOM 2220 N GLU B 132 -15.821 1.820 -3.914 1.00 22.55 N ATOM 2221 CA GLU B 132 -17.151 2.101 -4.319 1.00 60.44 C ATOM 2222 C GLU B 132 -17.134 3.357 -5.133 1.00 3.22 C ATOM 2223 O GLU B 132 -17.239 3.268 -6.366 1.00 11.44 O ATOM 2224 CB GLU B 132 -18.098 2.226 -3.130 1.00 14.51 C ATOM 2225 CG GLU B 132 -18.192 0.968 -2.291 1.00 33.32 C ATOM 2226 CD GLU B 132 -19.295 1.040 -1.285 1.00 75.24 C ATOM 2227 OE1 GLU B 132 -20.427 0.632 -1.610 1.00 24.43 O ATOM 2228 OE2 GLU B 132 -19.065 1.492 -0.141 1.00 31.01 O ATOM 2229 OXT GLU B 132 -16.925 4.443 -4.558 1.00 0.00 O ATOM 0 H GLU B 132 -15.419 2.520 -3.291 1.00 22.55 H new ATOM 0 HA GLU B 132 -17.528 1.271 -4.917 1.00 60.44 H new ATOM 0 HB2 GLU B 132 -17.766 3.050 -2.498 1.00 14.51 H new ATOM 0 HB3 GLU B 132 -19.092 2.484 -3.494 1.00 14.51 H new ATOM 0 HG2 GLU B 132 -18.353 0.110 -2.943 1.00 33.32 H new ATOM 0 HG3 GLU B 132 -17.245 0.804 -1.777 1.00 33.32 H new TER 2236 GLU B 132