USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 989 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 ASN : amide:sc= 1.06 K(o=1.6,f=-12!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -160:sc= -0.0474 (180deg=-0.796) USER MOD Set 1.3: A 53 TYR OH : rot -29:sc= 0.543 USER MOD Set 2.1: A 1 GLN : amide:sc= -0.0102 K(o=0.82,f=0.086) USER MOD Set 2.2: A 39 GLN : amide:sc= 0.831 K(o=0.82,f=-5.5!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.262 K(o=-0.26,f=-0.92!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.14 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 16 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -173:sc= -2.52 (180deg=-2.56) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.176) USER MOD Single : A 26 SER OG : rot -47:sc= 0.12 USER MOD Single : A 30 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.3!) USER MOD Single : A 31 CYS SG : rot 60:sc= -0.877 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.192 K(o=-0.19,f=-0.78) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 50:sc= 0.994 USER MOD Single : A 50 ASN :FLIP amide:sc= -2.35 F(o=-3.3,f=-2.3) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -160:sc= -0.0315 (180deg=-0.608) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.26 X(o=-2.3,f=-2.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.6!) USER MOD Single : A 72 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.645 X(o=-0.65,f=-0.37) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 57:sc= 1.32 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-0.96) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.17) USER MOD Single : A 110 LYS NZ :NH3+ -155:sc= -0.0157 (180deg=-0.273) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.079) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.506 0.079 -5.240 1.00 33.52 N ATOM 2 CA GLN A 1 0.906 0.942 -4.229 1.00 60.41 C ATOM 3 C GLN A 1 1.948 1.877 -3.624 1.00 72.04 C ATOM 4 O GLN A 1 2.816 1.447 -2.865 1.00 10.10 O ATOM 5 CB GLN A 1 0.259 0.100 -3.128 1.00 71.31 C ATOM 6 CG GLN A 1 -1.010 0.713 -2.559 1.00 53.55 C ATOM 7 CD GLN A 1 -1.071 0.633 -1.047 1.00 24.22 C ATOM 8 OE1 GLN A 1 -0.127 1.015 -0.355 1.00 45.30 O ATOM 9 NE2 GLN A 1 -2.185 0.133 -0.524 1.00 44.34 N ATOM 0 H1 GLN A 1 0.778 -0.548 -5.637 1.00 33.52 H new ATOM 0 H2 GLN A 1 1.911 0.663 -5.999 1.00 33.52 H new ATOM 0 H3 GLN A 1 2.257 -0.494 -4.806 1.00 33.52 H new ATOM 0 HA GLN A 1 0.139 1.547 -4.713 1.00 60.41 H new ATOM 0 HB2 GLN A 1 0.028 -0.888 -3.526 1.00 71.31 H new ATOM 0 HB3 GLN A 1 0.978 -0.042 -2.321 1.00 71.31 H new ATOM 0 HG2 GLN A 1 -1.074 1.757 -2.866 1.00 53.55 H new ATOM 0 HG3 GLN A 1 -1.876 0.203 -2.981 1.00 53.55 H new ATOM 0 HE21 GLN A 1 -2.943 -0.172 -1.135 1.00 44.34 H new ATOM 0 HE22 GLN A 1 -2.282 0.054 0.488 1.00 44.34 H new ATOM 18 N SER A 2 1.855 3.158 -3.967 1.00 5.03 N ATOM 19 CA SER A 2 2.793 4.154 -3.461 1.00 32.12 C ATOM 20 C SER A 2 2.320 5.565 -3.797 1.00 42.01 C ATOM 21 O SER A 2 2.342 5.980 -4.957 1.00 3.03 O ATOM 22 CB SER A 2 4.186 3.917 -4.046 1.00 43.42 C ATOM 23 OG SER A 2 5.161 3.826 -3.022 1.00 1.32 O ATOM 0 H SER A 2 1.141 3.530 -4.592 1.00 5.03 H new ATOM 0 HA SER A 2 2.841 4.055 -2.377 1.00 32.12 H new ATOM 0 HB2 SER A 2 4.185 2.999 -4.634 1.00 43.42 H new ATOM 0 HB3 SER A 2 4.442 4.731 -4.725 1.00 43.42 H new ATOM 0 HG SER A 2 6.042 3.673 -3.422 1.00 1.32 H new ATOM 29 N LEU A 3 1.893 6.298 -2.775 1.00 52.11 N ATOM 30 CA LEU A 3 1.414 7.664 -2.960 1.00 62.34 C ATOM 31 C LEU A 3 0.224 7.699 -3.913 1.00 73.14 C ATOM 32 O LEU A 3 -0.165 6.676 -4.475 1.00 64.31 O ATOM 33 CB LEU A 3 2.539 8.551 -3.498 1.00 34.32 C ATOM 34 CG LEU A 3 3.848 8.526 -2.709 1.00 1.34 C ATOM 35 CD1 LEU A 3 5.023 8.864 -3.613 1.00 51.42 C ATOM 36 CD2 LEU A 3 3.781 9.492 -1.535 1.00 3.15 C ATOM 0 H LEU A 3 1.868 5.970 -1.810 1.00 52.11 H new ATOM 0 HA LEU A 3 1.091 8.044 -1.991 1.00 62.34 H new ATOM 0 HB2 LEU A 3 2.751 8.252 -4.525 1.00 34.32 H new ATOM 0 HB3 LEU A 3 2.179 9.579 -3.533 1.00 34.32 H new ATOM 0 HG LEU A 3 3.995 7.519 -2.318 1.00 1.34 H new ATOM 0 HD11 LEU A 3 5.946 8.841 -3.034 1.00 51.42 H new ATOM 0 HD12 LEU A 3 5.083 8.134 -4.420 1.00 51.42 H new ATOM 0 HD13 LEU A 3 4.883 9.860 -4.034 1.00 51.42 H new ATOM 0 HD21 LEU A 3 4.721 9.461 -0.984 1.00 3.15 H new ATOM 0 HD22 LEU A 3 3.610 10.503 -1.905 1.00 3.15 H new ATOM 0 HD23 LEU A 3 2.964 9.205 -0.874 1.00 3.15 H new ATOM 48 N ASN A 4 -0.350 8.885 -4.092 1.00 62.51 N ATOM 49 CA ASN A 4 -1.495 9.054 -4.979 1.00 33.42 C ATOM 50 C ASN A 4 -1.133 8.678 -6.413 1.00 34.15 C ATOM 51 O ASN A 4 0.033 8.689 -6.808 1.00 35.50 O ATOM 52 CB ASN A 4 -1.996 10.498 -4.929 1.00 51.43 C ATOM 53 CG ASN A 4 -0.862 11.505 -4.955 1.00 21.31 C ATOM 54 OD1 ASN A 4 0.064 11.393 -5.759 1.00 54.21 O ATOM 55 ND2 ASN A 4 -0.929 12.494 -4.072 1.00 11.31 N ATOM 0 H ASN A 4 -0.041 9.743 -3.635 1.00 62.51 H new ATOM 0 HA ASN A 4 -2.289 8.389 -4.638 1.00 33.42 H new ATOM 0 HB2 ASN A 4 -2.659 10.679 -5.775 1.00 51.43 H new ATOM 0 HB3 ASN A 4 -2.587 10.644 -4.025 1.00 51.43 H new ATOM 0 HD21 ASN A 4 -0.194 13.201 -4.041 1.00 11.31 H new ATOM 0 HD22 ASN A 4 -1.715 12.547 -3.425 1.00 11.31 H new ATOM 62 N PRO A 5 -2.156 8.338 -7.211 1.00 40.02 N ATOM 63 CA PRO A 5 -1.971 7.954 -8.614 1.00 32.33 C ATOM 64 C PRO A 5 -1.552 9.131 -9.487 1.00 54.41 C ATOM 65 O PRO A 5 -0.873 8.956 -10.498 1.00 21.10 O ATOM 66 CB PRO A 5 -3.355 7.446 -9.028 1.00 3.33 C ATOM 67 CG PRO A 5 -4.302 8.139 -8.111 1.00 14.15 C ATOM 68 CD PRO A 5 -3.571 8.303 -6.807 1.00 15.33 C ATOM 0 HA PRO A 5 -1.178 7.216 -8.733 1.00 32.33 H new ATOM 0 HB2 PRO A 5 -3.568 7.683 -10.070 1.00 3.33 H new ATOM 0 HB3 PRO A 5 -3.426 6.363 -8.926 1.00 3.33 H new ATOM 0 HG2 PRO A 5 -4.600 9.106 -8.516 1.00 14.15 H new ATOM 0 HG3 PRO A 5 -5.213 7.556 -7.977 1.00 14.15 H new ATOM 0 HD2 PRO A 5 -3.865 9.219 -6.294 1.00 15.33 H new ATOM 0 HD3 PRO A 5 -3.774 7.477 -6.126 1.00 15.33 H new ATOM 76 N ALA A 6 -1.962 10.332 -9.090 1.00 71.21 N ATOM 77 CA ALA A 6 -1.627 11.539 -9.836 1.00 21.43 C ATOM 78 C ALA A 6 -2.110 11.444 -11.279 1.00 63.11 C ATOM 79 O ALA A 6 -1.519 12.038 -12.182 1.00 71.23 O ATOM 80 CB ALA A 6 -0.126 11.785 -9.794 1.00 71.12 C ATOM 0 H ALA A 6 -2.526 10.495 -8.256 1.00 71.21 H new ATOM 0 HA ALA A 6 -2.135 12.381 -9.366 1.00 21.43 H new ATOM 0 HB1 ALA A 6 0.110 12.689 -10.355 1.00 71.12 H new ATOM 0 HB2 ALA A 6 0.194 11.906 -8.759 1.00 71.12 H new ATOM 0 HB3 ALA A 6 0.394 10.936 -10.238 1.00 71.12 H new ATOM 86 N LEU A 7 -3.186 10.694 -11.490 1.00 64.20 N ATOM 87 CA LEU A 7 -3.748 10.521 -12.825 1.00 22.30 C ATOM 88 C LEU A 7 -4.860 11.532 -13.083 1.00 33.04 C ATOM 89 O LEU A 7 -4.944 12.113 -14.164 1.00 15.40 O ATOM 90 CB LEU A 7 -4.287 9.099 -12.992 1.00 64.15 C ATOM 91 CG LEU A 7 -3.772 8.325 -14.207 1.00 34.01 C ATOM 92 CD1 LEU A 7 -4.176 9.024 -15.496 1.00 1.34 C ATOM 93 CD2 LEU A 7 -2.261 8.164 -14.136 1.00 2.21 C ATOM 0 H LEU A 7 -3.687 10.196 -10.754 1.00 64.20 H new ATOM 0 HA LEU A 7 -2.953 10.690 -13.552 1.00 22.30 H new ATOM 0 HB2 LEU A 7 -4.043 8.531 -12.094 1.00 64.15 H new ATOM 0 HB3 LEU A 7 -5.374 9.148 -13.052 1.00 64.15 H new ATOM 0 HG LEU A 7 -4.223 7.333 -14.199 1.00 34.01 H new ATOM 0 HD11 LEU A 7 -3.801 8.459 -16.349 1.00 1.34 H new ATOM 0 HD12 LEU A 7 -5.263 9.086 -15.551 1.00 1.34 H new ATOM 0 HD13 LEU A 7 -3.754 10.029 -15.513 1.00 1.34 H new ATOM 0 HD21 LEU A 7 -1.913 7.611 -15.008 1.00 2.21 H new ATOM 0 HD22 LEU A 7 -1.791 9.147 -14.118 1.00 2.21 H new ATOM 0 HD23 LEU A 7 -1.995 7.618 -13.231 1.00 2.21 H new ATOM 105 N GLN A 8 -5.710 11.737 -12.081 1.00 42.33 N ATOM 106 CA GLN A 8 -6.816 12.680 -12.200 1.00 30.22 C ATOM 107 C GLN A 8 -7.203 13.239 -10.835 1.00 12.22 C ATOM 108 O GLN A 8 -8.386 13.364 -10.518 1.00 23.30 O ATOM 109 CB GLN A 8 -8.024 12.002 -12.848 1.00 34.32 C ATOM 110 CG GLN A 8 -7.797 11.612 -14.299 1.00 73.44 C ATOM 111 CD GLN A 8 -9.056 11.095 -14.969 1.00 3.53 C ATOM 112 OE1 GLN A 8 -9.746 10.228 -14.433 1.00 73.25 O ATOM 113 NE2 GLN A 8 -9.361 11.628 -16.146 1.00 72.13 N ATOM 0 H GLN A 8 -5.654 11.263 -11.179 1.00 42.33 H new ATOM 0 HA GLN A 8 -6.490 13.506 -12.832 1.00 30.22 H new ATOM 0 HB2 GLN A 8 -8.279 11.110 -12.276 1.00 34.32 H new ATOM 0 HB3 GLN A 8 -8.881 12.673 -12.791 1.00 34.32 H new ATOM 0 HG2 GLN A 8 -7.426 12.476 -14.850 1.00 73.44 H new ATOM 0 HG3 GLN A 8 -7.023 10.846 -14.348 1.00 73.44 H new ATOM 0 HE21 GLN A 8 -8.760 12.344 -16.553 1.00 72.13 H new ATOM 0 HE22 GLN A 8 -10.197 11.321 -16.644 1.00 72.13 H new ATOM 122 N GLU A 9 -6.199 13.574 -10.031 1.00 44.12 N ATOM 123 CA GLU A 9 -6.435 14.119 -8.700 1.00 35.04 C ATOM 124 C GLU A 9 -6.152 15.618 -8.667 1.00 10.11 C ATOM 125 O GLU A 9 -5.527 16.123 -7.734 1.00 41.43 O ATOM 126 CB GLU A 9 -5.563 13.401 -7.668 1.00 2.21 C ATOM 127 CG GLU A 9 -4.081 13.419 -8.006 1.00 14.55 C ATOM 128 CD GLU A 9 -3.240 14.034 -6.904 1.00 43.53 C ATOM 129 OE1 GLU A 9 -3.575 13.832 -5.719 1.00 32.45 O ATOM 130 OE2 GLU A 9 -2.246 14.718 -7.228 1.00 13.42 O ATOM 0 H GLU A 9 -5.214 13.477 -10.279 1.00 44.12 H new ATOM 0 HA GLU A 9 -7.484 13.960 -8.452 1.00 35.04 H new ATOM 0 HB2 GLU A 9 -5.711 13.866 -6.693 1.00 2.21 H new ATOM 0 HB3 GLU A 9 -5.895 12.366 -7.581 1.00 2.21 H new ATOM 0 HG2 GLU A 9 -3.742 12.400 -8.191 1.00 14.55 H new ATOM 0 HG3 GLU A 9 -3.929 13.978 -8.929 1.00 14.55 H new ATOM 137 N LYS A 10 -6.616 16.324 -9.692 1.00 42.43 N ATOM 138 CA LYS A 10 -6.414 17.766 -9.783 1.00 32.42 C ATOM 139 C LYS A 10 -7.236 18.497 -8.726 1.00 44.32 C ATOM 140 O LYS A 10 -8.466 18.456 -8.745 1.00 71.10 O ATOM 141 CB LYS A 10 -6.794 18.268 -11.178 1.00 32.24 C ATOM 142 CG LYS A 10 -5.897 17.735 -12.281 1.00 70.13 C ATOM 143 CD LYS A 10 -6.203 18.395 -13.616 1.00 25.34 C ATOM 144 CE LYS A 10 -5.253 17.918 -14.704 1.00 22.44 C ATOM 145 NZ LYS A 10 -5.748 16.681 -15.369 1.00 71.02 N ATOM 0 H LYS A 10 -7.135 15.921 -10.472 1.00 42.43 H new ATOM 0 HA LYS A 10 -5.359 17.973 -9.605 1.00 32.42 H new ATOM 0 HB2 LYS A 10 -7.825 17.983 -11.389 1.00 32.24 H new ATOM 0 HB3 LYS A 10 -6.757 19.357 -11.186 1.00 32.24 H new ATOM 0 HG2 LYS A 10 -4.853 17.909 -12.019 1.00 70.13 H new ATOM 0 HG3 LYS A 10 -6.028 16.656 -12.369 1.00 70.13 H new ATOM 0 HD2 LYS A 10 -7.230 18.174 -13.906 1.00 25.34 H new ATOM 0 HD3 LYS A 10 -6.127 19.478 -13.514 1.00 25.34 H new ATOM 0 HE2 LYS A 10 -5.128 18.705 -15.448 1.00 22.44 H new ATOM 0 HE3 LYS A 10 -4.271 17.729 -14.271 1.00 22.44 H new ATOM 0 HZ1 LYS A 10 -5.073 16.388 -16.104 1.00 71.02 H new ATOM 0 HZ2 LYS A 10 -5.843 15.922 -14.664 1.00 71.02 H new ATOM 0 HZ3 LYS A 10 -6.674 16.868 -15.804 1.00 71.02 H new ATOM 159 N ILE A 11 -6.548 19.167 -7.808 1.00 3.12 N ATOM 160 CA ILE A 11 -7.214 19.910 -6.746 1.00 35.14 C ATOM 161 C ILE A 11 -7.484 21.350 -7.168 1.00 0.24 C ATOM 162 O ILE A 11 -6.686 21.958 -7.881 1.00 54.42 O ATOM 163 CB ILE A 11 -6.380 19.914 -5.451 1.00 65.45 C ATOM 164 CG1 ILE A 11 -7.197 20.488 -4.293 1.00 10.51 C ATOM 165 CG2 ILE A 11 -5.099 20.710 -5.650 1.00 2.52 C ATOM 166 CD1 ILE A 11 -8.419 19.666 -3.949 1.00 52.13 C ATOM 0 H ILE A 11 -5.529 19.210 -7.778 1.00 3.12 H new ATOM 0 HA ILE A 11 -8.161 19.406 -6.556 1.00 35.14 H new ATOM 0 HB ILE A 11 -6.112 18.886 -5.205 1.00 65.45 H new ATOM 0 HG12 ILE A 11 -6.560 20.563 -3.412 1.00 10.51 H new ATOM 0 HG13 ILE A 11 -7.510 21.501 -4.547 1.00 10.51 H new ATOM 0 HG21 ILE A 11 -4.520 20.704 -4.727 1.00 2.52 H new ATOM 0 HG22 ILE A 11 -4.511 20.260 -6.450 1.00 2.52 H new ATOM 0 HG23 ILE A 11 -5.347 21.738 -5.916 1.00 2.52 H new ATOM 0 HD11 ILE A 11 -8.950 20.133 -3.119 1.00 52.13 H new ATOM 0 HD12 ILE A 11 -9.077 19.612 -4.816 1.00 52.13 H new ATOM 0 HD13 ILE A 11 -8.112 18.660 -3.663 1.00 52.13 H new ATOM 178 N SER A 12 -8.613 21.891 -6.720 1.00 62.11 N ATOM 179 CA SER A 12 -8.989 23.260 -7.053 1.00 31.13 C ATOM 180 C SER A 12 -9.259 23.401 -8.548 1.00 12.04 C ATOM 181 O SER A 12 -8.656 22.709 -9.368 1.00 62.13 O ATOM 182 CB SER A 12 -7.886 24.232 -6.628 1.00 74.22 C ATOM 183 OG SER A 12 -7.083 23.675 -5.602 1.00 70.02 O ATOM 0 H SER A 12 -9.283 21.402 -6.126 1.00 62.11 H new ATOM 0 HA SER A 12 -9.904 23.501 -6.512 1.00 31.13 H new ATOM 0 HB2 SER A 12 -7.263 24.479 -7.488 1.00 74.22 H new ATOM 0 HB3 SER A 12 -8.332 25.164 -6.280 1.00 74.22 H new ATOM 0 HG SER A 12 -6.385 24.315 -5.349 1.00 70.02 H new ATOM 189 N THR A 13 -10.172 24.303 -8.895 1.00 44.52 N ATOM 190 CA THR A 13 -10.524 24.536 -10.290 1.00 41.01 C ATOM 191 C THR A 13 -10.720 26.022 -10.567 1.00 41.13 C ATOM 192 O THR A 13 -10.286 26.532 -11.600 1.00 12.13 O ATOM 193 CB THR A 13 -11.808 23.779 -10.679 1.00 1.21 C ATOM 194 OG1 THR A 13 -11.617 22.370 -10.509 1.00 45.23 O ATOM 195 CG2 THR A 13 -12.194 24.074 -12.120 1.00 73.24 C ATOM 0 H THR A 13 -10.681 24.884 -8.229 1.00 44.52 H new ATOM 0 HA THR A 13 -9.695 24.164 -10.892 1.00 41.01 H new ATOM 0 HB THR A 13 -12.614 24.116 -10.027 1.00 1.21 H new ATOM 0 HG1 THR A 13 -12.438 21.896 -10.757 1.00 45.23 H new ATOM 0 HG21 THR A 13 -13.103 23.529 -12.372 1.00 73.24 H new ATOM 0 HG22 THR A 13 -12.368 25.144 -12.238 1.00 73.24 H new ATOM 0 HG23 THR A 13 -11.388 23.762 -12.784 1.00 73.24 H new ATOM 203 N GLU A 14 -11.375 26.711 -9.638 1.00 52.45 N ATOM 204 CA GLU A 14 -11.628 28.140 -9.785 1.00 30.04 C ATOM 205 C GLU A 14 -11.007 28.923 -8.631 1.00 50.25 C ATOM 206 O GLU A 14 -10.990 30.155 -8.640 1.00 72.23 O ATOM 207 CB GLU A 14 -13.133 28.410 -9.847 1.00 43.54 C ATOM 208 CG GLU A 14 -13.655 28.621 -11.259 1.00 20.23 C ATOM 209 CD GLU A 14 -14.137 30.039 -11.497 1.00 34.51 C ATOM 210 OE1 GLU A 14 -15.295 30.340 -11.139 1.00 30.01 O ATOM 211 OE2 GLU A 14 -13.356 30.847 -12.042 1.00 33.45 O ATOM 0 H GLU A 14 -11.740 26.304 -8.777 1.00 52.45 H new ATOM 0 HA GLU A 14 -11.168 28.471 -10.716 1.00 30.04 H new ATOM 0 HB2 GLU A 14 -13.663 27.572 -9.394 1.00 43.54 H new ATOM 0 HB3 GLU A 14 -13.360 29.292 -9.249 1.00 43.54 H new ATOM 0 HG2 GLU A 14 -12.866 28.385 -11.973 1.00 20.23 H new ATOM 0 HG3 GLU A 14 -14.474 27.927 -11.447 1.00 20.23 H new ATOM 218 N LEU A 15 -10.498 28.200 -7.640 1.00 11.52 N ATOM 219 CA LEU A 15 -9.876 28.826 -6.478 1.00 50.21 C ATOM 220 C LEU A 15 -10.930 29.269 -5.469 1.00 11.44 C ATOM 221 O LEU A 15 -10.648 29.399 -4.278 1.00 61.32 O ATOM 222 CB LEU A 15 -9.032 30.026 -6.911 1.00 51.24 C ATOM 223 CG LEU A 15 -7.724 30.237 -6.148 1.00 51.50 C ATOM 224 CD1 LEU A 15 -6.530 30.013 -7.063 1.00 30.03 C ATOM 225 CD2 LEU A 15 -7.679 31.633 -5.542 1.00 74.24 C ATOM 0 H LEU A 15 -10.504 27.180 -7.617 1.00 11.52 H new ATOM 0 HA LEU A 15 -9.230 28.089 -6.001 1.00 50.21 H new ATOM 0 HB2 LEU A 15 -8.798 29.917 -7.970 1.00 51.24 H new ATOM 0 HB3 LEU A 15 -9.638 30.926 -6.809 1.00 51.24 H new ATOM 0 HG LEU A 15 -7.677 29.509 -5.338 1.00 51.50 H new ATOM 0 HD11 LEU A 15 -5.608 30.168 -6.503 1.00 30.03 H new ATOM 0 HD12 LEU A 15 -6.553 28.994 -7.449 1.00 30.03 H new ATOM 0 HD13 LEU A 15 -6.572 30.717 -7.894 1.00 30.03 H new ATOM 0 HD21 LEU A 15 -6.741 31.765 -5.003 1.00 74.24 H new ATOM 0 HD22 LEU A 15 -7.749 32.377 -6.336 1.00 74.24 H new ATOM 0 HD23 LEU A 15 -8.514 31.758 -4.853 1.00 74.24 H new ATOM 237 N ASN A 16 -12.146 29.499 -5.953 1.00 34.42 N ATOM 238 CA ASN A 16 -13.244 29.926 -5.092 1.00 62.43 C ATOM 239 C ASN A 16 -14.100 28.735 -4.672 1.00 54.11 C ATOM 240 O ASN A 16 -14.461 28.599 -3.504 1.00 21.41 O ATOM 241 CB ASN A 16 -14.109 30.963 -5.811 1.00 32.40 C ATOM 242 CG ASN A 16 -13.963 32.350 -5.217 1.00 25.05 C ATOM 243 OD1 ASN A 16 -13.634 33.307 -5.918 1.00 61.43 O ATOM 244 ND2 ASN A 16 -14.206 32.465 -3.916 1.00 50.11 N ATOM 0 H ASN A 16 -12.396 29.397 -6.937 1.00 34.42 H new ATOM 0 HA ASN A 16 -12.817 30.377 -4.196 1.00 62.43 H new ATOM 0 HB2 ASN A 16 -13.835 30.992 -6.866 1.00 32.40 H new ATOM 0 HB3 ASN A 16 -15.154 30.658 -5.761 1.00 32.40 H new ATOM 0 HD21 ASN A 16 -14.122 33.374 -3.460 1.00 50.11 H new ATOM 0 HD22 ASN A 16 -14.476 31.645 -3.373 1.00 50.11 H new ATOM 251 N ASN A 17 -14.422 27.876 -5.634 1.00 30.33 N ATOM 252 CA ASN A 17 -15.236 26.696 -5.364 1.00 13.33 C ATOM 253 C ASN A 17 -14.414 25.614 -4.670 1.00 42.53 C ATOM 254 O ASN A 17 -14.962 24.709 -4.042 1.00 72.42 O ATOM 255 CB ASN A 17 -15.826 26.149 -6.665 1.00 64.03 C ATOM 256 CG ASN A 17 -16.863 27.078 -7.266 1.00 42.00 C ATOM 257 OD1 ASN A 17 -16.772 27.455 -8.434 1.00 50.14 O ATOM 258 ND2 ASN A 17 -17.855 27.452 -6.467 1.00 75.21 N ATOM 0 H ASN A 17 -14.132 27.975 -6.607 1.00 30.33 H new ATOM 0 HA ASN A 17 -16.049 26.991 -4.700 1.00 13.33 H new ATOM 0 HB2 ASN A 17 -15.024 25.990 -7.386 1.00 64.03 H new ATOM 0 HB3 ASN A 17 -16.280 25.177 -6.474 1.00 64.03 H new ATOM 0 HD21 ASN A 17 -18.582 28.077 -6.815 1.00 75.21 H new ATOM 0 HD22 ASN A 17 -17.890 27.114 -5.505 1.00 75.21 H new ATOM 265 N LYS A 18 -13.094 25.716 -4.788 1.00 72.30 N ATOM 266 CA LYS A 18 -12.194 24.748 -4.172 1.00 11.23 C ATOM 267 C LYS A 18 -12.511 24.578 -2.689 1.00 44.13 C ATOM 268 O LYS A 18 -12.399 23.480 -2.144 1.00 54.34 O ATOM 269 CB LYS A 18 -10.740 25.191 -4.346 1.00 64.10 C ATOM 270 CG LYS A 18 -9.742 24.301 -3.625 1.00 73.42 C ATOM 271 CD LYS A 18 -9.373 24.865 -2.263 1.00 74.05 C ATOM 272 CE LYS A 18 -8.352 23.988 -1.555 1.00 11.42 C ATOM 273 NZ LYS A 18 -6.964 24.494 -1.739 1.00 42.43 N ATOM 0 H LYS A 18 -12.624 26.459 -5.305 1.00 72.30 H new ATOM 0 HA LYS A 18 -12.337 23.788 -4.669 1.00 11.23 H new ATOM 0 HB2 LYS A 18 -10.499 25.207 -5.409 1.00 64.10 H new ATOM 0 HB3 LYS A 18 -10.634 26.212 -3.980 1.00 64.10 H new ATOM 0 HG2 LYS A 18 -10.164 23.303 -3.504 1.00 73.42 H new ATOM 0 HG3 LYS A 18 -8.843 24.196 -4.232 1.00 73.42 H new ATOM 0 HD2 LYS A 18 -8.970 25.871 -2.381 1.00 74.05 H new ATOM 0 HD3 LYS A 18 -10.269 24.951 -1.648 1.00 74.05 H new ATOM 0 HE2 LYS A 18 -8.585 23.946 -0.491 1.00 11.42 H new ATOM 0 HE3 LYS A 18 -8.421 22.969 -1.937 1.00 11.42 H new ATOM 0 HZ1 LYS A 18 -6.298 23.869 -1.242 1.00 42.43 H new ATOM 0 HZ2 LYS A 18 -6.732 24.511 -2.753 1.00 42.43 H new ATOM 0 HZ3 LYS A 18 -6.891 25.456 -1.351 1.00 42.43 H new ATOM 287 N GLN A 19 -12.906 25.671 -2.044 1.00 74.42 N ATOM 288 CA GLN A 19 -13.240 25.641 -0.625 1.00 24.50 C ATOM 289 C GLN A 19 -14.456 24.756 -0.370 1.00 3.20 C ATOM 290 O GLN A 19 -14.465 23.950 0.560 1.00 32.24 O ATOM 291 CB GLN A 19 -13.508 27.057 -0.112 1.00 65.43 C ATOM 292 CG GLN A 19 -12.297 27.708 0.537 1.00 61.23 C ATOM 293 CD GLN A 19 -12.486 29.195 0.764 1.00 21.33 C ATOM 294 OE1 GLN A 19 -13.432 29.617 1.429 1.00 55.32 O ATOM 295 NE2 GLN A 19 -11.584 29.998 0.213 1.00 65.33 N ATOM 0 H GLN A 19 -13.002 26.588 -2.481 1.00 74.42 H new ATOM 0 HA GLN A 19 -12.390 25.222 -0.087 1.00 24.50 H new ATOM 0 HB2 GLN A 19 -13.843 27.678 -0.943 1.00 65.43 H new ATOM 0 HB3 GLN A 19 -14.324 27.025 0.610 1.00 65.43 H new ATOM 0 HG2 GLN A 19 -12.095 27.221 1.491 1.00 61.23 H new ATOM 0 HG3 GLN A 19 -11.422 27.549 -0.093 1.00 61.23 H new ATOM 0 HE21 GLN A 19 -10.816 29.605 -0.331 1.00 65.33 H new ATOM 0 HE22 GLN A 19 -11.659 31.008 0.333 1.00 65.33 H new ATOM 304 N TYR A 20 -15.480 24.913 -1.201 1.00 64.05 N ATOM 305 CA TYR A 20 -16.702 24.131 -1.064 1.00 74.43 C ATOM 306 C TYR A 20 -16.457 22.669 -1.426 1.00 32.22 C ATOM 307 O TYR A 20 -16.879 21.762 -0.709 1.00 12.22 O ATOM 308 CB TYR A 20 -17.805 24.709 -1.952 1.00 52.24 C ATOM 309 CG TYR A 20 -18.686 25.715 -1.246 1.00 43.43 C ATOM 310 CD1 TYR A 20 -18.134 26.721 -0.463 1.00 15.44 C ATOM 311 CD2 TYR A 20 -20.069 25.660 -1.364 1.00 52.51 C ATOM 312 CE1 TYR A 20 -18.935 27.642 0.185 1.00 53.22 C ATOM 313 CE2 TYR A 20 -20.878 26.578 -0.721 1.00 43.05 C ATOM 314 CZ TYR A 20 -20.306 27.567 0.052 1.00 31.41 C ATOM 315 OH TYR A 20 -21.107 28.483 0.694 1.00 32.12 O ATOM 0 H TYR A 20 -15.488 25.575 -1.977 1.00 64.05 H new ATOM 0 HA TYR A 20 -17.019 24.181 -0.022 1.00 74.43 H new ATOM 0 HB2 TYR A 20 -17.349 25.184 -2.820 1.00 52.24 H new ATOM 0 HB3 TYR A 20 -18.425 23.893 -2.324 1.00 52.24 H new ATOM 0 HD1 TYR A 20 -17.061 26.784 -0.359 1.00 15.44 H new ATOM 0 HD2 TYR A 20 -20.520 24.887 -1.968 1.00 52.51 H new ATOM 0 HE1 TYR A 20 -18.490 28.416 0.792 1.00 53.22 H new ATOM 0 HE2 TYR A 20 -21.952 26.521 -0.823 1.00 43.05 H new ATOM 0 HH TYR A 20 -22.047 28.291 0.496 1.00 32.12 H new ATOM 325 N GLU A 21 -15.771 22.449 -2.543 1.00 53.32 N ATOM 326 CA GLU A 21 -15.470 21.098 -3.001 1.00 3.04 C ATOM 327 C GLU A 21 -14.574 20.372 -2.001 1.00 11.34 C ATOM 328 O GLU A 21 -14.824 19.219 -1.649 1.00 73.41 O ATOM 329 CB GLU A 21 -14.793 21.139 -4.372 1.00 45.21 C ATOM 330 CG GLU A 21 -15.551 20.380 -5.448 1.00 43.33 C ATOM 331 CD GLU A 21 -15.682 18.902 -5.137 1.00 14.12 C ATOM 332 OE1 GLU A 21 -15.118 18.459 -4.114 1.00 52.43 O ATOM 333 OE2 GLU A 21 -16.349 18.188 -5.915 1.00 1.41 O ATOM 0 H GLU A 21 -15.413 23.189 -3.147 1.00 53.32 H new ATOM 0 HA GLU A 21 -16.410 20.552 -3.084 1.00 3.04 H new ATOM 0 HB2 GLU A 21 -14.682 22.178 -4.682 1.00 45.21 H new ATOM 0 HB3 GLU A 21 -13.789 20.723 -4.285 1.00 45.21 H new ATOM 0 HG2 GLU A 21 -16.545 20.813 -5.561 1.00 43.33 H new ATOM 0 HG3 GLU A 21 -15.039 20.503 -6.403 1.00 43.33 H new ATOM 340 N LEU A 22 -13.530 21.056 -1.547 1.00 25.14 N ATOM 341 CA LEU A 22 -12.595 20.477 -0.587 1.00 51.51 C ATOM 342 C LEU A 22 -13.277 20.229 0.755 1.00 44.13 C ATOM 343 O LEU A 22 -12.942 19.282 1.467 1.00 51.12 O ATOM 344 CB LEU A 22 -11.391 21.402 -0.397 1.00 71.32 C ATOM 345 CG LEU A 22 -10.363 20.960 0.645 1.00 35.32 C ATOM 346 CD1 LEU A 22 -9.099 20.455 -0.032 1.00 71.23 C ATOM 347 CD2 LEU A 22 -10.041 22.104 1.595 1.00 52.20 C ATOM 0 H LEU A 22 -13.309 22.011 -1.827 1.00 25.14 H new ATOM 0 HA LEU A 22 -12.252 19.521 -0.982 1.00 51.51 H new ATOM 0 HB2 LEU A 22 -10.884 21.507 -1.356 1.00 71.32 H new ATOM 0 HB3 LEU A 22 -11.758 22.390 -0.120 1.00 71.32 H new ATOM 0 HG LEU A 22 -10.791 20.142 1.225 1.00 35.32 H new ATOM 0 HD11 LEU A 22 -8.379 20.145 0.726 1.00 71.23 H new ATOM 0 HD12 LEU A 22 -9.343 19.606 -0.670 1.00 71.23 H new ATOM 0 HD13 LEU A 22 -8.667 21.252 -0.638 1.00 71.23 H new ATOM 0 HD21 LEU A 22 -9.308 21.771 2.330 1.00 52.20 H new ATOM 0 HD22 LEU A 22 -9.634 22.942 1.030 1.00 52.20 H new ATOM 0 HD23 LEU A 22 -10.950 22.419 2.107 1.00 52.20 H new ATOM 359 N PHE A 23 -14.235 21.085 1.093 1.00 75.21 N ATOM 360 CA PHE A 23 -14.965 20.958 2.349 1.00 75.42 C ATOM 361 C PHE A 23 -15.681 19.612 2.428 1.00 4.05 C ATOM 362 O PHE A 23 -15.658 18.946 3.463 1.00 61.53 O ATOM 363 CB PHE A 23 -15.978 22.095 2.492 1.00 54.51 C ATOM 364 CG PHE A 23 -15.609 23.098 3.547 1.00 5.13 C ATOM 365 CD1 PHE A 23 -15.313 22.689 4.837 1.00 21.45 C ATOM 366 CD2 PHE A 23 -15.557 24.450 3.249 1.00 11.33 C ATOM 367 CE1 PHE A 23 -14.972 23.609 5.811 1.00 23.40 C ATOM 368 CE2 PHE A 23 -15.216 25.375 4.218 1.00 32.24 C ATOM 369 CZ PHE A 23 -14.924 24.954 5.501 1.00 34.41 C ATOM 0 H PHE A 23 -14.524 21.874 0.515 1.00 75.21 H new ATOM 0 HA PHE A 23 -14.246 21.016 3.166 1.00 75.42 H new ATOM 0 HB2 PHE A 23 -16.076 22.606 1.534 1.00 54.51 H new ATOM 0 HB3 PHE A 23 -16.955 21.673 2.729 1.00 54.51 H new ATOM 0 HD1 PHE A 23 -15.349 21.638 5.085 1.00 21.45 H new ATOM 0 HD2 PHE A 23 -15.786 24.785 2.248 1.00 11.33 H new ATOM 0 HE1 PHE A 23 -14.743 23.276 6.813 1.00 23.40 H new ATOM 0 HE2 PHE A 23 -15.178 26.426 3.972 1.00 32.24 H new ATOM 0 HZ PHE A 23 -14.659 25.675 6.260 1.00 34.41 H new ATOM 379 N MET A 24 -16.315 19.220 1.329 1.00 72.05 N ATOM 380 CA MET A 24 -17.037 17.954 1.273 1.00 23.12 C ATOM 381 C MET A 24 -16.080 16.794 1.016 1.00 73.15 C ATOM 382 O MET A 24 -16.272 15.692 1.530 1.00 25.21 O ATOM 383 CB MET A 24 -18.107 18.000 0.181 1.00 32.32 C ATOM 384 CG MET A 24 -19.520 18.148 0.721 1.00 34.14 C ATOM 385 SD MET A 24 -19.858 19.809 1.337 1.00 21.43 S ATOM 386 CE MET A 24 -19.358 19.643 3.049 1.00 24.12 C ATOM 0 H MET A 24 -16.344 19.760 0.464 1.00 72.05 H new ATOM 0 HA MET A 24 -17.520 17.797 2.237 1.00 23.12 H new ATOM 0 HB2 MET A 24 -17.894 18.832 -0.490 1.00 32.32 H new ATOM 0 HB3 MET A 24 -18.048 17.088 -0.413 1.00 32.32 H new ATOM 0 HG2 MET A 24 -20.233 17.905 -0.067 1.00 34.14 H new ATOM 0 HG3 MET A 24 -19.675 17.428 1.525 1.00 34.14 H new ATOM 0 HE1 MET A 24 -19.622 20.549 3.595 1.00 24.12 H new ATOM 0 HE2 MET A 24 -19.867 18.789 3.496 1.00 24.12 H new ATOM 0 HE3 MET A 24 -18.280 19.490 3.100 1.00 24.12 H new ATOM 396 N LYS A 25 -15.050 17.049 0.216 1.00 73.33 N ATOM 397 CA LYS A 25 -14.063 16.027 -0.110 1.00 62.41 C ATOM 398 C LYS A 25 -13.275 15.616 1.130 1.00 73.00 C ATOM 399 O LYS A 25 -12.965 14.440 1.319 1.00 74.32 O ATOM 400 CB LYS A 25 -13.106 16.538 -1.189 1.00 4.52 C ATOM 401 CG LYS A 25 -12.108 15.495 -1.661 1.00 43.42 C ATOM 402 CD LYS A 25 -10.727 16.096 -1.863 1.00 43.14 C ATOM 403 CE LYS A 25 -10.074 16.453 -0.536 1.00 74.15 C ATOM 404 NZ LYS A 25 -9.034 15.462 -0.146 1.00 2.03 N ATOM 0 H LYS A 25 -14.877 17.955 -0.219 1.00 73.33 H new ATOM 0 HA LYS A 25 -14.594 15.153 -0.488 1.00 62.41 H new ATOM 0 HB2 LYS A 25 -13.687 16.885 -2.043 1.00 4.52 H new ATOM 0 HB3 LYS A 25 -12.562 17.400 -0.802 1.00 4.52 H new ATOM 0 HG2 LYS A 25 -12.051 14.688 -0.931 1.00 43.42 H new ATOM 0 HG3 LYS A 25 -12.455 15.055 -2.596 1.00 43.42 H new ATOM 0 HD2 LYS A 25 -10.096 15.388 -2.401 1.00 43.14 H new ATOM 0 HD3 LYS A 25 -10.805 16.989 -2.483 1.00 43.14 H new ATOM 0 HE2 LYS A 25 -9.624 17.443 -0.607 1.00 74.15 H new ATOM 0 HE3 LYS A 25 -10.836 16.505 0.242 1.00 74.15 H new ATOM 0 HZ1 LYS A 25 -9.079 15.296 0.880 1.00 2.03 H new ATOM 0 HZ2 LYS A 25 -9.201 14.567 -0.649 1.00 2.03 H new ATOM 0 HZ3 LYS A 25 -8.094 15.829 -0.396 1.00 2.03 H new ATOM 418 N SER A 26 -12.956 16.593 1.973 1.00 60.20 N ATOM 419 CA SER A 26 -12.203 16.333 3.194 1.00 24.21 C ATOM 420 C SER A 26 -13.053 15.569 4.205 1.00 63.44 C ATOM 421 O SER A 26 -12.547 14.728 4.950 1.00 71.05 O ATOM 422 CB SER A 26 -11.718 17.647 3.809 1.00 44.11 C ATOM 423 OG SER A 26 -12.783 18.340 4.437 1.00 45.15 O ATOM 0 H SER A 26 -13.207 17.572 1.833 1.00 60.20 H new ATOM 0 HA SER A 26 -11.339 15.720 2.935 1.00 24.21 H new ATOM 0 HB2 SER A 26 -10.933 17.443 4.537 1.00 44.11 H new ATOM 0 HB3 SER A 26 -11.279 18.275 3.034 1.00 44.11 H new ATOM 0 HG SER A 26 -13.557 18.363 3.837 1.00 45.15 H new ATOM 429 N LEU A 27 -14.347 15.867 4.224 1.00 31.35 N ATOM 430 CA LEU A 27 -15.270 15.209 5.143 1.00 22.31 C ATOM 431 C LEU A 27 -15.520 13.764 4.721 1.00 14.35 C ATOM 432 O LEU A 27 -15.448 12.847 5.540 1.00 41.21 O ATOM 433 CB LEU A 27 -16.594 15.972 5.201 1.00 10.10 C ATOM 434 CG LEU A 27 -16.641 17.162 6.160 1.00 13.11 C ATOM 435 CD1 LEU A 27 -17.953 17.917 6.010 1.00 32.55 C ATOM 436 CD2 LEU A 27 -16.452 16.697 7.597 1.00 52.13 C ATOM 0 H LEU A 27 -14.781 16.560 3.614 1.00 31.35 H new ATOM 0 HA LEU A 27 -14.817 15.206 6.134 1.00 22.31 H new ATOM 0 HB2 LEU A 27 -16.829 16.329 4.198 1.00 10.10 H new ATOM 0 HB3 LEU A 27 -17.381 15.273 5.482 1.00 10.10 H new ATOM 0 HG LEU A 27 -15.825 17.839 5.908 1.00 13.11 H new ATOM 0 HD11 LEU A 27 -17.968 18.760 6.700 1.00 32.55 H new ATOM 0 HD12 LEU A 27 -18.047 18.283 4.988 1.00 32.55 H new ATOM 0 HD13 LEU A 27 -18.785 17.249 6.234 1.00 32.55 H new ATOM 0 HD21 LEU A 27 -16.488 17.557 8.266 1.00 52.13 H new ATOM 0 HD22 LEU A 27 -17.246 15.999 7.861 1.00 52.13 H new ATOM 0 HD23 LEU A 27 -15.486 16.202 7.695 1.00 52.13 H new ATOM 448 N ILE A 28 -15.813 13.570 3.440 1.00 31.21 N ATOM 449 CA ILE A 28 -16.071 12.237 2.910 1.00 62.13 C ATOM 450 C ILE A 28 -14.814 11.374 2.957 1.00 53.13 C ATOM 451 O ILE A 28 -14.863 10.212 3.357 1.00 21.24 O ATOM 452 CB ILE A 28 -16.584 12.298 1.459 1.00 72.20 C ATOM 453 CG1 ILE A 28 -16.776 10.885 0.903 1.00 14.22 C ATOM 454 CG2 ILE A 28 -15.619 13.089 0.588 1.00 32.44 C ATOM 455 CD1 ILE A 28 -18.179 10.618 0.405 1.00 73.24 C ATOM 0 H ILE A 28 -15.878 14.318 2.750 1.00 31.21 H new ATOM 0 HA ILE A 28 -16.840 11.790 3.540 1.00 62.13 H new ATOM 0 HB ILE A 28 -17.549 12.806 1.452 1.00 72.20 H new ATOM 0 HG12 ILE A 28 -16.073 10.726 0.086 1.00 14.22 H new ATOM 0 HG13 ILE A 28 -16.531 10.161 1.680 1.00 14.22 H new ATOM 0 HG21 ILE A 28 -15.996 13.123 -0.434 1.00 32.44 H new ATOM 0 HG22 ILE A 28 -15.528 14.104 0.975 1.00 32.44 H new ATOM 0 HG23 ILE A 28 -14.641 12.608 0.599 1.00 32.44 H new ATOM 0 HD11 ILE A 28 -18.242 9.598 0.025 1.00 73.24 H new ATOM 0 HD12 ILE A 28 -18.886 10.745 1.225 1.00 73.24 H new ATOM 0 HD13 ILE A 28 -18.421 11.318 -0.394 1.00 73.24 H new ATOM 467 N GLU A 29 -13.690 11.953 2.546 1.00 71.30 N ATOM 468 CA GLU A 29 -12.420 11.236 2.542 1.00 11.15 C ATOM 469 C GLU A 29 -11.983 10.897 3.965 1.00 61.14 C ATOM 470 O GLU A 29 -11.357 9.865 4.203 1.00 33.13 O ATOM 471 CB GLU A 29 -11.340 12.070 1.850 1.00 12.44 C ATOM 472 CG GLU A 29 -10.771 13.175 2.725 1.00 51.23 C ATOM 473 CD GLU A 29 -9.619 12.700 3.588 1.00 5.51 C ATOM 474 OE1 GLU A 29 -9.264 11.506 3.499 1.00 14.15 O ATOM 475 OE2 GLU A 29 -9.071 13.522 4.352 1.00 10.41 O ATOM 0 H GLU A 29 -13.633 12.915 2.212 1.00 71.30 H new ATOM 0 HA GLU A 29 -12.559 10.306 1.991 1.00 11.15 H new ATOM 0 HB2 GLU A 29 -10.529 11.412 1.537 1.00 12.44 H new ATOM 0 HB3 GLU A 29 -11.758 12.513 0.946 1.00 12.44 H new ATOM 0 HG2 GLU A 29 -10.432 13.996 2.093 1.00 51.23 H new ATOM 0 HG3 GLU A 29 -11.560 13.570 3.364 1.00 51.23 H new ATOM 482 N ASN A 30 -12.317 11.775 4.905 1.00 21.42 N ATOM 483 CA ASN A 30 -11.958 11.570 6.304 1.00 71.51 C ATOM 484 C ASN A 30 -12.735 10.399 6.899 1.00 61.13 C ATOM 485 O ASN A 30 -12.148 9.467 7.449 1.00 24.23 O ATOM 486 CB ASN A 30 -12.229 12.840 7.113 1.00 61.41 C ATOM 487 CG ASN A 30 -11.048 13.791 7.107 1.00 14.43 C ATOM 488 OD1 ASN A 30 -9.917 13.393 6.833 1.00 65.43 O ATOM 489 ND2 ASN A 30 -11.308 15.058 7.412 1.00 71.33 N ATOM 0 H ASN A 30 -12.835 12.635 4.724 1.00 21.42 H new ATOM 0 HA ASN A 30 -10.894 11.338 6.350 1.00 71.51 H new ATOM 0 HB2 ASN A 30 -13.103 13.348 6.705 1.00 61.41 H new ATOM 0 HB3 ASN A 30 -12.469 12.569 8.141 1.00 61.41 H new ATOM 0 HD21 ASN A 30 -10.554 15.745 7.425 1.00 71.33 H new ATOM 0 HD22 ASN A 30 -12.262 15.344 7.633 1.00 71.33 H new ATOM 496 N CYS A 31 -14.057 10.454 6.783 1.00 30.14 N ATOM 497 CA CYS A 31 -14.915 9.398 7.310 1.00 50.32 C ATOM 498 C CYS A 31 -14.694 8.091 6.555 1.00 14.42 C ATOM 499 O CYS A 31 -14.563 7.027 7.160 1.00 44.00 O ATOM 500 CB CYS A 31 -16.384 9.813 7.217 1.00 12.02 C ATOM 501 SG CYS A 31 -16.961 10.804 8.615 1.00 0.12 S ATOM 0 H CYS A 31 -14.558 11.218 6.329 1.00 30.14 H new ATOM 0 HA CYS A 31 -14.655 9.240 8.357 1.00 50.32 H new ATOM 0 HB2 CYS A 31 -16.533 10.380 6.298 1.00 12.02 H new ATOM 0 HB3 CYS A 31 -17.000 8.917 7.142 1.00 12.02 H new ATOM 0 HG CYS A 31 -16.258 11.895 8.693 1.00 0.12 H new ATOM 507 N LYS A 32 -14.657 8.179 5.230 1.00 63.41 N ATOM 508 CA LYS A 32 -14.453 7.004 4.391 1.00 63.31 C ATOM 509 C LYS A 32 -13.100 6.360 4.676 1.00 22.43 C ATOM 510 O LYS A 32 -12.935 5.148 4.534 1.00 61.20 O ATOM 511 CB LYS A 32 -14.546 7.386 2.912 1.00 63.52 C ATOM 512 CG LYS A 32 -14.157 6.261 1.968 1.00 74.13 C ATOM 513 CD LYS A 32 -14.260 6.692 0.514 1.00 13.24 C ATOM 514 CE LYS A 32 -13.639 5.663 -0.418 1.00 2.43 C ATOM 515 NZ LYS A 32 -12.749 6.297 -1.429 1.00 41.54 N ATOM 0 H LYS A 32 -14.766 9.052 4.714 1.00 63.41 H new ATOM 0 HA LYS A 32 -15.236 6.282 4.624 1.00 63.31 H new ATOM 0 HB2 LYS A 32 -15.566 7.699 2.690 1.00 63.52 H new ATOM 0 HB3 LYS A 32 -13.901 8.245 2.726 1.00 63.52 H new ATOM 0 HG2 LYS A 32 -13.137 5.941 2.182 1.00 74.13 H new ATOM 0 HG3 LYS A 32 -14.804 5.401 2.140 1.00 74.13 H new ATOM 0 HD2 LYS A 32 -15.307 6.838 0.250 1.00 13.24 H new ATOM 0 HD3 LYS A 32 -13.761 7.652 0.382 1.00 13.24 H new ATOM 0 HE2 LYS A 32 -13.069 4.941 0.166 1.00 2.43 H new ATOM 0 HE3 LYS A 32 -14.429 5.109 -0.926 1.00 2.43 H new ATOM 0 HZ1 LYS A 32 -12.345 5.563 -2.045 1.00 41.54 H new ATOM 0 HZ2 LYS A 32 -13.299 6.967 -2.004 1.00 41.54 H new ATOM 0 HZ3 LYS A 32 -11.981 6.804 -0.946 1.00 41.54 H new ATOM 529 N LYS A 33 -12.134 7.177 5.081 1.00 0.33 N ATOM 530 CA LYS A 33 -10.796 6.688 5.390 1.00 63.20 C ATOM 531 C LYS A 33 -10.837 5.670 6.525 1.00 31.31 C ATOM 532 O LYS A 33 -9.896 4.899 6.715 1.00 2.31 O ATOM 533 CB LYS A 33 -9.879 7.853 5.769 1.00 41.01 C ATOM 534 CG LYS A 33 -8.896 8.234 4.676 1.00 62.14 C ATOM 535 CD LYS A 33 -8.002 9.385 5.105 1.00 13.44 C ATOM 536 CE LYS A 33 -7.006 9.754 4.017 1.00 24.21 C ATOM 537 NZ LYS A 33 -5.823 8.849 4.019 1.00 3.21 N ATOM 0 H LYS A 33 -12.253 8.183 5.203 1.00 0.33 H new ATOM 0 HA LYS A 33 -10.402 6.198 4.500 1.00 63.20 H new ATOM 0 HB2 LYS A 33 -10.491 8.721 6.014 1.00 41.01 H new ATOM 0 HB3 LYS A 33 -9.324 7.589 6.669 1.00 41.01 H new ATOM 0 HG2 LYS A 33 -8.281 7.371 4.421 1.00 62.14 H new ATOM 0 HG3 LYS A 33 -9.443 8.513 3.775 1.00 62.14 H new ATOM 0 HD2 LYS A 33 -8.616 10.253 5.347 1.00 13.44 H new ATOM 0 HD3 LYS A 33 -7.465 9.111 6.013 1.00 13.44 H new ATOM 0 HE2 LYS A 33 -7.497 9.709 3.045 1.00 24.21 H new ATOM 0 HE3 LYS A 33 -6.676 10.783 4.160 1.00 24.21 H new ATOM 0 HZ1 LYS A 33 -5.167 9.133 3.263 1.00 3.21 H new ATOM 0 HZ2 LYS A 33 -5.340 8.911 4.938 1.00 3.21 H new ATOM 0 HZ3 LYS A 33 -6.135 7.870 3.857 1.00 3.21 H new ATOM 551 N ARG A 34 -11.934 5.671 7.276 1.00 41.34 N ATOM 552 CA ARG A 34 -12.097 4.747 8.392 1.00 54.55 C ATOM 553 C ARG A 34 -12.485 3.358 7.895 1.00 61.24 C ATOM 554 O ARG A 34 -12.607 2.419 8.680 1.00 63.21 O ATOM 555 CB ARG A 34 -13.160 5.269 9.361 1.00 24.43 C ATOM 556 CG ARG A 34 -12.879 6.671 9.876 1.00 23.23 C ATOM 557 CD ARG A 34 -11.887 6.653 11.029 1.00 63.33 C ATOM 558 NE ARG A 34 -11.707 7.977 11.617 1.00 14.13 N ATOM 559 CZ ARG A 34 -10.903 8.221 12.646 1.00 50.41 C ATOM 560 NH1 ARG A 34 -10.207 7.236 13.196 1.00 13.13 N ATOM 561 NH2 ARG A 34 -10.793 9.454 13.126 1.00 70.34 N ATOM 0 H ARG A 34 -12.723 6.301 7.132 1.00 41.34 H new ATOM 0 HA ARG A 34 -11.143 4.674 8.914 1.00 54.55 H new ATOM 0 HB2 ARG A 34 -14.129 5.262 8.862 1.00 24.43 H new ATOM 0 HB3 ARG A 34 -13.233 4.588 10.209 1.00 24.43 H new ATOM 0 HG2 ARG A 34 -12.486 7.285 9.066 1.00 23.23 H new ATOM 0 HG3 ARG A 34 -13.810 7.133 10.203 1.00 23.23 H new ATOM 0 HD2 ARG A 34 -12.235 5.960 11.795 1.00 63.33 H new ATOM 0 HD3 ARG A 34 -10.926 6.280 10.675 1.00 63.33 H new ATOM 0 HE ARG A 34 -12.227 8.757 11.216 1.00 14.13 H new ATOM 0 HH11 ARG A 34 -10.288 6.288 12.829 1.00 13.13 H new ATOM 0 HH12 ARG A 34 -9.590 7.426 13.986 1.00 13.13 H new ATOM 0 HH21 ARG A 34 -11.326 10.215 12.705 1.00 70.34 H new ATOM 0 HH22 ARG A 34 -10.175 9.640 13.916 1.00 70.34 H new ATOM 575 N ASN A 35 -12.678 3.236 6.585 1.00 22.33 N ATOM 576 CA ASN A 35 -13.053 1.961 5.984 1.00 43.25 C ATOM 577 C ASN A 35 -12.166 1.645 4.783 1.00 23.52 C ATOM 578 O ASN A 35 -11.649 0.535 4.656 1.00 74.30 O ATOM 579 CB ASN A 35 -14.521 1.989 5.554 1.00 61.42 C ATOM 580 CG ASN A 35 -15.443 1.408 6.609 1.00 41.23 C ATOM 581 OD1 ASN A 35 -15.908 2.118 7.501 1.00 73.34 O ATOM 582 ND2 ASN A 35 -15.711 0.111 6.511 1.00 1.21 N ATOM 0 H ASN A 35 -12.581 4.004 5.920 1.00 22.33 H new ATOM 0 HA ASN A 35 -12.915 1.180 6.732 1.00 43.25 H new ATOM 0 HB2 ASN A 35 -14.816 3.017 5.344 1.00 61.42 H new ATOM 0 HB3 ASN A 35 -14.636 1.429 4.626 1.00 61.42 H new ATOM 0 HD21 ASN A 35 -16.325 -0.336 7.192 1.00 1.21 H new ATOM 0 HD22 ASN A 35 -15.303 -0.438 5.755 1.00 1.21 H new ATOM 589 N MET A 36 -11.993 2.628 3.906 1.00 75.21 N ATOM 590 CA MET A 36 -11.167 2.454 2.717 1.00 54.53 C ATOM 591 C MET A 36 -10.200 3.622 2.552 1.00 51.33 C ATOM 592 O MET A 36 -10.377 4.490 1.697 1.00 53.33 O ATOM 593 CB MET A 36 -12.048 2.327 1.472 1.00 21.42 C ATOM 594 CG MET A 36 -11.265 2.046 0.200 1.00 42.31 C ATOM 595 SD MET A 36 -12.168 2.514 -1.289 1.00 30.10 S ATOM 596 CE MET A 36 -11.962 1.040 -2.286 1.00 55.44 C ATOM 0 H MET A 36 -12.413 3.553 3.996 1.00 75.21 H new ATOM 0 HA MET A 36 -10.587 1.539 2.838 1.00 54.53 H new ATOM 0 HB2 MET A 36 -12.771 1.526 1.628 1.00 21.42 H new ATOM 0 HB3 MET A 36 -12.616 3.248 1.343 1.00 21.42 H new ATOM 0 HG2 MET A 36 -10.320 2.588 0.233 1.00 42.31 H new ATOM 0 HG3 MET A 36 -11.022 0.984 0.154 1.00 42.31 H new ATOM 0 HE1 MET A 36 -12.467 1.174 -3.243 1.00 55.44 H new ATOM 0 HE2 MET A 36 -10.900 0.862 -2.458 1.00 55.44 H new ATOM 0 HE3 MET A 36 -12.393 0.185 -1.765 1.00 55.44 H new ATOM 606 N PRO A 37 -9.152 3.647 3.389 1.00 72.13 N ATOM 607 CA PRO A 37 -8.136 4.703 3.354 1.00 13.24 C ATOM 608 C PRO A 37 -7.263 4.627 2.107 1.00 40.33 C ATOM 609 O PRO A 37 -7.191 3.588 1.449 1.00 52.41 O ATOM 610 CB PRO A 37 -7.302 4.433 4.609 1.00 45.23 C ATOM 611 CG PRO A 37 -7.481 2.979 4.878 1.00 72.14 C ATOM 612 CD PRO A 37 -8.878 2.645 4.432 1.00 11.05 C ATOM 0 HA PRO A 37 -8.582 5.697 3.327 1.00 13.24 H new ATOM 0 HB2 PRO A 37 -6.253 4.679 4.447 1.00 45.23 H new ATOM 0 HB3 PRO A 37 -7.645 5.036 5.450 1.00 45.23 H new ATOM 0 HG2 PRO A 37 -6.745 2.388 4.333 1.00 72.14 H new ATOM 0 HG3 PRO A 37 -7.346 2.758 5.937 1.00 72.14 H new ATOM 0 HD2 PRO A 37 -8.943 1.630 4.041 1.00 11.05 H new ATOM 0 HD3 PRO A 37 -9.590 2.716 5.254 1.00 11.05 H new ATOM 620 N LEU A 38 -6.600 5.733 1.786 1.00 32.02 N ATOM 621 CA LEU A 38 -5.730 5.792 0.617 1.00 72.43 C ATOM 622 C LEU A 38 -4.277 6.003 1.029 1.00 21.51 C ATOM 623 O LEU A 38 -3.943 5.943 2.212 1.00 32.41 O ATOM 624 CB LEU A 38 -6.175 6.917 -0.319 1.00 13.23 C ATOM 625 CG LEU A 38 -6.697 6.484 -1.689 1.00 54.11 C ATOM 626 CD1 LEU A 38 -5.648 5.668 -2.427 1.00 24.44 C ATOM 627 CD2 LEU A 38 -7.987 5.690 -1.542 1.00 30.22 C ATOM 0 H LEU A 38 -6.649 6.601 2.319 1.00 32.02 H new ATOM 0 HA LEU A 38 -5.805 4.840 0.092 1.00 72.43 H new ATOM 0 HB2 LEU A 38 -6.956 7.490 0.180 1.00 13.23 H new ATOM 0 HB3 LEU A 38 -5.332 7.591 -0.470 1.00 13.23 H new ATOM 0 HG LEU A 38 -6.909 7.379 -2.274 1.00 54.11 H new ATOM 0 HD11 LEU A 38 -6.038 5.369 -3.400 1.00 24.44 H new ATOM 0 HD12 LEU A 38 -4.750 6.270 -2.565 1.00 24.44 H new ATOM 0 HD13 LEU A 38 -5.403 4.779 -1.845 1.00 24.44 H new ATOM 0 HD21 LEU A 38 -8.344 5.390 -2.527 1.00 30.22 H new ATOM 0 HD22 LEU A 38 -7.801 4.802 -0.938 1.00 30.22 H new ATOM 0 HD23 LEU A 38 -8.741 6.308 -1.056 1.00 30.22 H new ATOM 639 N GLN A 39 -3.418 6.251 0.046 1.00 52.54 N ATOM 640 CA GLN A 39 -2.001 6.473 0.307 1.00 20.04 C ATOM 641 C GLN A 39 -1.771 7.843 0.938 1.00 74.35 C ATOM 642 O GLN A 39 -0.793 8.051 1.655 1.00 32.42 O ATOM 643 CB GLN A 39 -1.197 6.353 -0.988 1.00 44.12 C ATOM 644 CG GLN A 39 -0.593 4.975 -1.204 1.00 71.33 C ATOM 645 CD GLN A 39 0.480 4.641 -0.186 1.00 53.34 C ATOM 646 OE1 GLN A 39 1.580 5.193 -0.223 1.00 52.33 O ATOM 647 NE2 GLN A 39 0.165 3.734 0.730 1.00 33.24 N ATOM 0 H GLN A 39 -3.679 6.303 -0.939 1.00 52.54 H new ATOM 0 HA GLN A 39 -1.663 5.710 1.008 1.00 20.04 H new ATOM 0 HB2 GLN A 39 -1.845 6.593 -1.831 1.00 44.12 H new ATOM 0 HB3 GLN A 39 -0.397 7.094 -0.979 1.00 44.12 H new ATOM 0 HG2 GLN A 39 -1.382 4.225 -1.154 1.00 71.33 H new ATOM 0 HG3 GLN A 39 -0.167 4.922 -2.206 1.00 71.33 H new ATOM 0 HE21 GLN A 39 -0.759 3.302 0.723 1.00 33.24 H new ATOM 0 HE22 GLN A 39 0.847 3.469 1.441 1.00 33.24 H new ATOM 656 N SER A 40 -2.679 8.774 0.664 1.00 52.22 N ATOM 657 CA SER A 40 -2.573 10.126 1.201 1.00 73.13 C ATOM 658 C SER A 40 -3.824 10.938 0.879 1.00 34.33 C ATOM 659 O SER A 40 -4.668 11.167 1.746 1.00 12.13 O ATOM 660 CB SER A 40 -1.337 10.827 0.634 1.00 12.00 C ATOM 661 OG SER A 40 -0.235 10.710 1.517 1.00 61.12 O ATOM 0 H SER A 40 -3.496 8.617 0.074 1.00 52.22 H new ATOM 0 HA SER A 40 -2.476 10.054 2.284 1.00 73.13 H new ATOM 0 HB2 SER A 40 -1.080 10.393 -0.333 1.00 12.00 H new ATOM 0 HB3 SER A 40 -1.559 11.880 0.462 1.00 12.00 H new ATOM 0 HG SER A 40 -0.128 9.773 1.784 1.00 61.12 H new ATOM 667 N ILE A 41 -3.937 11.369 -0.372 1.00 45.34 N ATOM 668 CA ILE A 41 -5.084 12.154 -0.809 1.00 53.42 C ATOM 669 C ILE A 41 -5.916 11.389 -1.833 1.00 12.22 C ATOM 670 O ILE A 41 -5.610 11.365 -3.025 1.00 61.41 O ATOM 671 CB ILE A 41 -4.647 13.498 -1.421 1.00 50.32 C ATOM 672 CG1 ILE A 41 -3.820 14.298 -0.412 1.00 62.24 C ATOM 673 CG2 ILE A 41 -5.862 14.297 -1.869 1.00 72.31 C ATOM 674 CD1 ILE A 41 -2.371 14.464 -0.815 1.00 73.04 C ATOM 0 H ILE A 41 -3.248 11.188 -1.102 1.00 45.34 H new ATOM 0 HA ILE A 41 -5.689 12.347 0.077 1.00 53.42 H new ATOM 0 HB ILE A 41 -4.026 13.297 -2.294 1.00 50.32 H new ATOM 0 HG12 ILE A 41 -4.269 15.283 -0.286 1.00 62.24 H new ATOM 0 HG13 ILE A 41 -3.865 13.801 0.557 1.00 62.24 H new ATOM 0 HG21 ILE A 41 -5.536 15.244 -2.299 1.00 72.31 H new ATOM 0 HG22 ILE A 41 -6.415 13.729 -2.618 1.00 72.31 H new ATOM 0 HG23 ILE A 41 -6.506 14.491 -1.012 1.00 72.31 H new ATOM 0 HD11 ILE A 41 -1.845 15.041 -0.054 1.00 73.04 H new ATOM 0 HD12 ILE A 41 -1.906 13.483 -0.913 1.00 73.04 H new ATOM 0 HD13 ILE A 41 -2.316 14.988 -1.769 1.00 73.04 H new ATOM 686 N PRO A 42 -6.996 10.750 -1.359 1.00 10.11 N ATOM 687 CA PRO A 42 -7.896 9.974 -2.217 1.00 15.03 C ATOM 688 C PRO A 42 -8.711 10.859 -3.154 1.00 4.51 C ATOM 689 O PRO A 42 -9.577 11.613 -2.713 1.00 15.04 O ATOM 690 CB PRO A 42 -8.815 9.266 -1.218 1.00 30.31 C ATOM 691 CG PRO A 42 -8.797 10.133 -0.006 1.00 74.45 C ATOM 692 CD PRO A 42 -7.421 10.736 0.051 1.00 54.32 C ATOM 0 HA PRO A 42 -7.350 9.295 -2.871 1.00 15.03 H new ATOM 0 HB2 PRO A 42 -9.825 9.161 -1.615 1.00 30.31 H new ATOM 0 HB3 PRO A 42 -8.455 8.262 -0.992 1.00 30.31 H new ATOM 0 HG2 PRO A 42 -9.561 10.908 -0.069 1.00 74.45 H new ATOM 0 HG3 PRO A 42 -9.006 9.552 0.892 1.00 74.45 H new ATOM 0 HD2 PRO A 42 -7.439 11.740 0.475 1.00 54.32 H new ATOM 0 HD3 PRO A 42 -6.747 10.142 0.668 1.00 54.32 H new ATOM 700 N GLU A 43 -8.426 10.762 -4.449 1.00 3.42 N ATOM 701 CA GLU A 43 -9.132 11.556 -5.447 1.00 75.13 C ATOM 702 C GLU A 43 -9.148 10.844 -6.797 1.00 31.42 C ATOM 703 O GLU A 43 -8.170 10.203 -7.183 1.00 74.44 O ATOM 704 CB GLU A 43 -8.480 12.932 -5.592 1.00 51.44 C ATOM 705 CG GLU A 43 -9.284 13.900 -6.445 1.00 23.02 C ATOM 706 CD GLU A 43 -10.739 13.977 -6.026 1.00 21.23 C ATOM 707 OE1 GLU A 43 -11.012 14.498 -4.924 1.00 44.30 O ATOM 708 OE2 GLU A 43 -11.605 13.516 -6.798 1.00 64.43 O ATOM 0 H GLU A 43 -7.712 10.142 -4.831 1.00 3.42 H new ATOM 0 HA GLU A 43 -10.161 11.684 -5.110 1.00 75.13 H new ATOM 0 HB2 GLU A 43 -8.339 13.364 -4.601 1.00 51.44 H new ATOM 0 HB3 GLU A 43 -7.489 12.811 -6.030 1.00 51.44 H new ATOM 0 HG2 GLU A 43 -8.838 14.892 -6.380 1.00 23.02 H new ATOM 0 HG3 GLU A 43 -9.226 13.593 -7.489 1.00 23.02 H new ATOM 715 N ILE A 44 -10.264 10.960 -7.508 1.00 15.42 N ATOM 716 CA ILE A 44 -10.408 10.329 -8.814 1.00 24.45 C ATOM 717 C ILE A 44 -11.233 11.197 -9.757 1.00 2.00 C ATOM 718 O ILE A 44 -12.418 11.432 -9.524 1.00 42.14 O ATOM 719 CB ILE A 44 -11.069 8.943 -8.699 1.00 33.42 C ATOM 720 CG1 ILE A 44 -10.256 8.040 -7.769 1.00 1.34 C ATOM 721 CG2 ILE A 44 -11.209 8.307 -10.074 1.00 23.21 C ATOM 722 CD1 ILE A 44 -10.633 8.179 -6.310 1.00 74.34 C ATOM 0 H ILE A 44 -11.083 11.486 -7.201 1.00 15.42 H new ATOM 0 HA ILE A 44 -9.403 10.211 -9.220 1.00 24.45 H new ATOM 0 HB ILE A 44 -12.065 9.067 -8.274 1.00 33.42 H new ATOM 0 HG12 ILE A 44 -10.392 7.002 -8.074 1.00 1.34 H new ATOM 0 HG13 ILE A 44 -9.197 8.271 -7.886 1.00 1.34 H new ATOM 0 HG21 ILE A 44 -11.678 7.328 -9.976 1.00 23.21 H new ATOM 0 HG22 ILE A 44 -11.827 8.943 -10.708 1.00 23.21 H new ATOM 0 HG23 ILE A 44 -10.223 8.194 -10.525 1.00 23.21 H new ATOM 0 HD11 ILE A 44 -10.017 7.510 -5.710 1.00 74.34 H new ATOM 0 HD12 ILE A 44 -10.471 9.208 -5.989 1.00 74.34 H new ATOM 0 HD13 ILE A 44 -11.684 7.920 -6.179 1.00 74.34 H new ATOM 734 N GLY A 45 -10.598 11.670 -10.825 1.00 44.30 N ATOM 735 CA GLY A 45 -11.289 12.506 -11.789 1.00 43.22 C ATOM 736 C GLY A 45 -10.994 13.980 -11.595 1.00 41.32 C ATOM 737 O GLY A 45 -10.133 14.542 -12.271 1.00 21.11 O ATOM 0 H GLY A 45 -9.617 11.489 -11.040 1.00 44.30 H new ATOM 0 HA2 GLY A 45 -10.998 12.210 -12.797 1.00 43.22 H new ATOM 0 HA3 GLY A 45 -12.363 12.340 -11.706 1.00 43.22 H new ATOM 741 N ASN A 46 -11.712 14.609 -10.670 1.00 43.11 N ATOM 742 CA ASN A 46 -11.524 16.028 -10.391 1.00 0.12 C ATOM 743 C ASN A 46 -12.490 16.502 -9.309 1.00 52.24 C ATOM 744 O ASN A 46 -13.067 17.585 -9.409 1.00 40.25 O ATOM 745 CB ASN A 46 -11.724 16.851 -11.665 1.00 63.22 C ATOM 746 CG ASN A 46 -12.883 16.347 -12.503 1.00 14.34 C ATOM 747 OD1 ASN A 46 -13.964 16.070 -11.983 1.00 15.01 O ATOM 748 ND2 ASN A 46 -12.663 16.227 -13.807 1.00 21.45 N ATOM 0 H ASN A 46 -12.429 14.159 -10.101 1.00 43.11 H new ATOM 0 HA ASN A 46 -10.505 16.170 -10.031 1.00 0.12 H new ATOM 0 HB2 ASN A 46 -11.899 17.893 -11.397 1.00 63.22 H new ATOM 0 HB3 ASN A 46 -10.811 16.823 -12.259 1.00 63.22 H new ATOM 0 HD21 ASN A 46 -13.406 15.894 -14.421 1.00 21.45 H new ATOM 0 HD22 ASN A 46 -11.751 16.468 -14.195 1.00 21.45 H new ATOM 755 N ARG A 47 -12.661 15.684 -8.276 1.00 60.12 N ATOM 756 CA ARG A 47 -13.557 16.019 -7.176 1.00 74.13 C ATOM 757 C ARG A 47 -15.000 16.119 -7.662 1.00 75.41 C ATOM 758 O ARG A 47 -15.373 17.073 -8.344 1.00 41.45 O ATOM 759 CB ARG A 47 -13.134 17.339 -6.529 1.00 23.42 C ATOM 760 CG ARG A 47 -11.653 17.405 -6.194 1.00 24.30 C ATOM 761 CD ARG A 47 -10.927 18.413 -7.072 1.00 34.40 C ATOM 762 NE ARG A 47 -11.521 19.744 -6.983 1.00 35.25 N ATOM 763 CZ ARG A 47 -11.232 20.735 -7.818 1.00 2.44 C ATOM 764 NH1 ARG A 47 -10.361 20.547 -8.800 1.00 32.45 N ATOM 765 NH2 ARG A 47 -11.814 21.919 -7.672 1.00 30.24 N ATOM 0 H ARG A 47 -12.191 14.784 -8.178 1.00 60.12 H new ATOM 0 HA ARG A 47 -13.495 15.222 -6.435 1.00 74.13 H new ATOM 0 HB2 ARG A 47 -13.383 18.160 -7.202 1.00 23.42 H new ATOM 0 HB3 ARG A 47 -13.711 17.488 -5.617 1.00 23.42 H new ATOM 0 HG2 ARG A 47 -11.528 17.677 -5.146 1.00 24.30 H new ATOM 0 HG3 ARG A 47 -11.205 16.420 -6.323 1.00 24.30 H new ATOM 0 HD2 ARG A 47 -9.879 18.463 -6.776 1.00 34.40 H new ATOM 0 HD3 ARG A 47 -10.950 18.074 -8.108 1.00 34.40 H new ATOM 0 HE ARG A 47 -12.195 19.922 -6.238 1.00 35.25 H new ATOM 0 HH11 ARG A 47 -9.911 19.639 -8.916 1.00 32.45 H new ATOM 0 HH12 ARG A 47 -10.141 21.310 -9.440 1.00 32.45 H new ATOM 0 HH21 ARG A 47 -12.484 22.068 -6.918 1.00 30.24 H new ATOM 0 HH22 ARG A 47 -11.591 22.680 -8.314 1.00 30.24 H new ATOM 779 N LYS A 48 -15.809 15.126 -7.306 1.00 61.05 N ATOM 780 CA LYS A 48 -17.211 15.101 -7.705 1.00 33.34 C ATOM 781 C LYS A 48 -18.092 14.606 -6.562 1.00 74.41 C ATOM 782 O LYS A 48 -19.274 14.319 -6.757 1.00 21.41 O ATOM 783 CB LYS A 48 -17.398 14.206 -8.932 1.00 34.22 C ATOM 784 CG LYS A 48 -16.404 14.485 -10.045 1.00 61.24 C ATOM 785 CD LYS A 48 -17.024 14.263 -11.415 1.00 4.11 C ATOM 786 CE LYS A 48 -16.021 13.666 -12.390 1.00 61.42 C ATOM 787 NZ LYS A 48 -15.759 14.573 -13.542 1.00 74.40 N ATOM 0 H LYS A 48 -15.517 14.328 -6.742 1.00 61.05 H new ATOM 0 HA LYS A 48 -17.510 16.118 -7.957 1.00 33.34 H new ATOM 0 HB2 LYS A 48 -17.307 13.163 -8.628 1.00 34.22 H new ATOM 0 HB3 LYS A 48 -18.409 14.339 -9.317 1.00 34.22 H new ATOM 0 HG2 LYS A 48 -16.049 15.513 -9.968 1.00 61.24 H new ATOM 0 HG3 LYS A 48 -15.535 13.838 -9.929 1.00 61.24 H new ATOM 0 HD2 LYS A 48 -17.884 13.599 -11.323 1.00 4.11 H new ATOM 0 HD3 LYS A 48 -17.394 15.211 -11.806 1.00 4.11 H new ATOM 0 HE2 LYS A 48 -15.086 13.461 -11.869 1.00 61.42 H new ATOM 0 HE3 LYS A 48 -16.396 12.711 -12.758 1.00 61.42 H new ATOM 0 HZ1 LYS A 48 -15.359 14.026 -14.331 1.00 74.40 H new ATOM 0 HZ2 LYS A 48 -16.650 15.016 -13.845 1.00 74.40 H new ATOM 0 HZ3 LYS A 48 -15.085 15.311 -13.256 1.00 74.40 H new ATOM 801 N ILE A 49 -17.511 14.509 -5.371 1.00 43.34 N ATOM 802 CA ILE A 49 -18.244 14.051 -4.198 1.00 55.51 C ATOM 803 C ILE A 49 -18.983 15.205 -3.527 1.00 23.42 C ATOM 804 O ILE A 49 -19.756 15.000 -2.592 1.00 71.44 O ATOM 805 CB ILE A 49 -17.307 13.389 -3.171 1.00 12.51 C ATOM 806 CG1 ILE A 49 -16.359 12.412 -3.869 1.00 1.34 C ATOM 807 CG2 ILE A 49 -18.116 12.676 -2.098 1.00 54.01 C ATOM 808 CD1 ILE A 49 -15.002 13.005 -4.180 1.00 74.11 C ATOM 0 H ILE A 49 -16.534 14.742 -5.193 1.00 43.34 H new ATOM 0 HA ILE A 49 -18.967 13.313 -4.546 1.00 55.51 H new ATOM 0 HB ILE A 49 -16.710 14.165 -2.692 1.00 12.51 H new ATOM 0 HG12 ILE A 49 -16.227 11.533 -3.238 1.00 1.34 H new ATOM 0 HG13 ILE A 49 -16.819 12.072 -4.797 1.00 1.34 H new ATOM 0 HG21 ILE A 49 -17.439 12.213 -1.380 1.00 54.01 H new ATOM 0 HG22 ILE A 49 -18.753 13.396 -1.584 1.00 54.01 H new ATOM 0 HG23 ILE A 49 -18.736 11.907 -2.560 1.00 54.01 H new ATOM 0 HD11 ILE A 49 -14.382 12.257 -4.674 1.00 74.11 H new ATOM 0 HD12 ILE A 49 -15.123 13.867 -4.837 1.00 74.11 H new ATOM 0 HD13 ILE A 49 -14.521 13.320 -3.254 1.00 74.11 H new ATOM 820 N ASN A 50 -18.739 16.418 -4.012 1.00 32.04 N ATOM 821 CA ASN A 50 -19.382 17.605 -3.459 1.00 70.14 C ATOM 822 C ASN A 50 -20.841 17.688 -3.899 1.00 65.02 C ATOM 823 O ASN A 50 -21.213 17.173 -4.955 1.00 4.14 O ATOM 824 CB ASN A 50 -18.633 18.866 -3.896 1.00 73.30 C ATOM 825 CG ASN A 50 -19.263 20.131 -3.347 1.00 3.35 C ATOM 826 OD1 ASN A 50 -19.614 20.109 -2.066 1.00 25.21 O flip ATOM 827 ND2 ASN A 50 -19.431 21.117 -4.065 1.00 40.41 N flip ATOM 0 H ASN A 50 -18.101 16.605 -4.786 1.00 32.04 H new ATOM 0 HA ASN A 50 -19.353 17.531 -2.372 1.00 70.14 H new ATOM 0 HB2 ASN A 50 -17.597 18.804 -3.562 1.00 73.30 H new ATOM 0 HB3 ASN A 50 -18.614 18.915 -4.985 1.00 73.30 H new ATOM 0 HD21 ASN A 50 -19.146 21.089 -5.044 1.00 40.41 H new ATOM 0 HD22 ASN A 50 -19.855 21.961 -3.681 1.00 40.41 H new ATOM 834 N LEU A 51 -21.662 18.340 -3.084 1.00 32.20 N ATOM 835 CA LEU A 51 -23.081 18.492 -3.388 1.00 62.35 C ATOM 836 C LEU A 51 -23.290 19.483 -4.529 1.00 2.23 C ATOM 837 O LEU A 51 -24.297 19.429 -5.235 1.00 44.44 O ATOM 838 CB LEU A 51 -23.842 18.958 -2.146 1.00 72.43 C ATOM 839 CG LEU A 51 -24.042 17.911 -1.050 1.00 34.22 C ATOM 840 CD1 LEU A 51 -23.608 18.462 0.300 1.00 73.54 C ATOM 841 CD2 LEU A 51 -25.495 17.460 -1.002 1.00 20.13 C ATOM 0 H LEU A 51 -21.370 18.772 -2.207 1.00 32.20 H new ATOM 0 HA LEU A 51 -23.467 17.521 -3.699 1.00 62.35 H new ATOM 0 HB2 LEU A 51 -23.311 19.808 -1.717 1.00 72.43 H new ATOM 0 HB3 LEU A 51 -24.822 19.319 -2.459 1.00 72.43 H new ATOM 0 HG LEU A 51 -23.421 17.046 -1.283 1.00 34.22 H new ATOM 0 HD11 LEU A 51 -23.758 17.703 1.068 1.00 73.54 H new ATOM 0 HD12 LEU A 51 -22.553 18.735 0.260 1.00 73.54 H new ATOM 0 HD13 LEU A 51 -24.202 19.344 0.541 1.00 73.54 H new ATOM 0 HD21 LEU A 51 -25.619 16.715 -0.216 1.00 20.13 H new ATOM 0 HD22 LEU A 51 -26.135 18.317 -0.793 1.00 20.13 H new ATOM 0 HD23 LEU A 51 -25.773 17.025 -1.962 1.00 20.13 H new ATOM 853 N PHE A 52 -22.331 20.387 -4.703 1.00 71.45 N ATOM 854 CA PHE A 52 -22.409 21.390 -5.759 1.00 33.21 C ATOM 855 C PHE A 52 -21.739 20.890 -7.035 1.00 71.23 C ATOM 856 O PHE A 52 -22.183 21.194 -8.143 1.00 3.43 O ATOM 857 CB PHE A 52 -21.752 22.694 -5.302 1.00 34.02 C ATOM 858 CG PHE A 52 -22.462 23.925 -5.789 1.00 3.24 C ATOM 859 CD1 PHE A 52 -22.196 24.442 -7.046 1.00 43.33 C ATOM 860 CD2 PHE A 52 -23.395 24.565 -4.989 1.00 1.10 C ATOM 861 CE1 PHE A 52 -22.846 25.576 -7.496 1.00 74.53 C ATOM 862 CE2 PHE A 52 -24.049 25.698 -5.434 1.00 12.52 C ATOM 863 CZ PHE A 52 -23.775 26.204 -6.690 1.00 32.34 C ATOM 0 H PHE A 52 -21.491 20.445 -4.127 1.00 71.45 H new ATOM 0 HA PHE A 52 -23.462 21.576 -5.972 1.00 33.21 H new ATOM 0 HB2 PHE A 52 -21.717 22.712 -4.213 1.00 34.02 H new ATOM 0 HB3 PHE A 52 -20.721 22.715 -5.655 1.00 34.02 H new ATOM 0 HD1 PHE A 52 -21.472 23.954 -7.682 1.00 43.33 H new ATOM 0 HD2 PHE A 52 -23.614 24.174 -4.006 1.00 1.10 H new ATOM 0 HE1 PHE A 52 -22.627 25.971 -8.477 1.00 74.53 H new ATOM 0 HE2 PHE A 52 -24.774 26.188 -4.800 1.00 12.52 H new ATOM 0 HZ PHE A 52 -24.286 27.088 -7.041 1.00 32.34 H new ATOM 873 N TYR A 53 -20.668 20.121 -6.872 1.00 11.33 N ATOM 874 CA TYR A 53 -19.934 19.581 -8.010 1.00 20.03 C ATOM 875 C TYR A 53 -20.723 18.464 -8.686 1.00 24.41 C ATOM 876 O TYR A 53 -20.900 18.462 -9.905 1.00 12.52 O ATOM 877 CB TYR A 53 -18.569 19.057 -7.561 1.00 2.33 C ATOM 878 CG TYR A 53 -17.567 18.935 -8.687 1.00 1.15 C ATOM 879 CD1 TYR A 53 -17.750 18.012 -9.709 1.00 1.32 C ATOM 880 CD2 TYR A 53 -16.438 19.744 -8.728 1.00 65.42 C ATOM 881 CE1 TYR A 53 -16.837 17.897 -10.739 1.00 24.12 C ATOM 882 CE2 TYR A 53 -15.520 19.636 -9.755 1.00 43.11 C ATOM 883 CZ TYR A 53 -15.723 18.711 -10.758 1.00 14.03 C ATOM 884 OH TYR A 53 -14.812 18.600 -11.783 1.00 10.13 O ATOM 0 H TYR A 53 -20.289 19.858 -5.962 1.00 11.33 H new ATOM 0 HA TYR A 53 -19.788 20.386 -8.731 1.00 20.03 H new ATOM 0 HB2 TYR A 53 -18.166 19.723 -6.798 1.00 2.33 H new ATOM 0 HB3 TYR A 53 -18.699 18.081 -7.095 1.00 2.33 H new ATOM 0 HD1 TYR A 53 -18.621 17.374 -9.698 1.00 1.32 H new ATOM 0 HD2 TYR A 53 -16.275 20.469 -7.944 1.00 65.42 H new ATOM 0 HE1 TYR A 53 -16.994 17.174 -11.525 1.00 24.12 H new ATOM 0 HE2 TYR A 53 -14.648 20.273 -9.772 1.00 43.11 H new ATOM 0 HH TYR A 53 -14.813 17.681 -12.123 1.00 10.13 H new ATOM 894 N LEU A 54 -21.194 17.514 -7.886 1.00 31.31 N ATOM 895 CA LEU A 54 -21.965 16.389 -8.405 1.00 12.40 C ATOM 896 C LEU A 54 -23.248 16.872 -9.075 1.00 31.25 C ATOM 897 O LEU A 54 -23.749 16.241 -10.006 1.00 14.14 O ATOM 898 CB LEU A 54 -22.301 15.412 -7.277 1.00 54.12 C ATOM 899 CG LEU A 54 -22.711 14.004 -7.709 1.00 63.44 C ATOM 900 CD1 LEU A 54 -21.542 13.287 -8.368 1.00 74.22 C ATOM 901 CD2 LEU A 54 -23.224 13.208 -6.518 1.00 5.12 C ATOM 0 H LEU A 54 -21.056 17.500 -6.876 1.00 31.31 H new ATOM 0 HA LEU A 54 -21.358 15.877 -9.151 1.00 12.40 H new ATOM 0 HB2 LEU A 54 -21.433 15.331 -6.623 1.00 54.12 H new ATOM 0 HB3 LEU A 54 -23.110 15.838 -6.683 1.00 54.12 H new ATOM 0 HG LEU A 54 -23.517 14.089 -8.438 1.00 63.44 H new ATOM 0 HD11 LEU A 54 -21.852 12.286 -8.669 1.00 74.22 H new ATOM 0 HD12 LEU A 54 -21.220 13.847 -9.246 1.00 74.22 H new ATOM 0 HD13 LEU A 54 -20.715 13.214 -7.661 1.00 74.22 H new ATOM 0 HD21 LEU A 54 -23.511 12.209 -6.845 1.00 5.12 H new ATOM 0 HD22 LEU A 54 -22.439 13.132 -5.766 1.00 5.12 H new ATOM 0 HD23 LEU A 54 -24.090 13.712 -6.089 1.00 5.12 H new ATOM 913 N TYR A 55 -23.773 17.994 -8.596 1.00 1.21 N ATOM 914 CA TYR A 55 -24.997 18.561 -9.148 1.00 15.42 C ATOM 915 C TYR A 55 -24.722 19.268 -10.471 1.00 51.44 C ATOM 916 O TYR A 55 -25.412 19.041 -11.465 1.00 32.24 O ATOM 917 CB TYR A 55 -25.624 19.541 -8.154 1.00 44.31 C ATOM 918 CG TYR A 55 -26.842 20.256 -8.694 1.00 63.12 C ATOM 919 CD1 TYR A 55 -28.055 19.593 -8.836 1.00 5.20 C ATOM 920 CD2 TYR A 55 -26.780 21.595 -9.062 1.00 22.52 C ATOM 921 CE1 TYR A 55 -29.170 20.242 -9.330 1.00 4.13 C ATOM 922 CE2 TYR A 55 -27.890 22.252 -9.555 1.00 73.11 C ATOM 923 CZ TYR A 55 -29.083 21.571 -9.688 1.00 4.33 C ATOM 924 OH TYR A 55 -30.191 22.222 -10.179 1.00 35.44 O ATOM 0 H TYR A 55 -23.370 18.529 -7.827 1.00 1.21 H new ATOM 0 HA TYR A 55 -25.695 17.744 -9.332 1.00 15.42 H new ATOM 0 HB2 TYR A 55 -25.902 19.000 -7.250 1.00 44.31 H new ATOM 0 HB3 TYR A 55 -24.877 20.281 -7.866 1.00 44.31 H new ATOM 0 HD1 TYR A 55 -28.127 18.553 -8.555 1.00 5.20 H new ATOM 0 HD2 TYR A 55 -25.848 22.131 -8.961 1.00 22.52 H new ATOM 0 HE1 TYR A 55 -30.105 19.711 -9.435 1.00 4.13 H new ATOM 0 HE2 TYR A 55 -27.825 23.293 -9.835 1.00 73.11 H new ATOM 0 HH TYR A 55 -29.960 23.153 -10.382 1.00 35.44 H new ATOM 934 N MET A 56 -23.708 20.127 -10.476 1.00 64.12 N ATOM 935 CA MET A 56 -23.339 20.867 -11.678 1.00 24.53 C ATOM 936 C MET A 56 -22.981 19.914 -12.814 1.00 63.10 C ATOM 937 O MET A 56 -23.307 20.166 -13.975 1.00 24.01 O ATOM 938 CB MET A 56 -22.160 21.798 -11.387 1.00 53.12 C ATOM 939 CG MET A 56 -21.698 22.589 -12.600 1.00 64.01 C ATOM 940 SD MET A 56 -22.917 23.799 -13.147 1.00 13.01 S ATOM 941 CE MET A 56 -23.141 23.306 -14.854 1.00 40.54 C ATOM 0 H MET A 56 -23.127 20.328 -9.662 1.00 64.12 H new ATOM 0 HA MET A 56 -24.197 21.464 -11.985 1.00 24.53 H new ATOM 0 HB2 MET A 56 -22.443 22.493 -10.596 1.00 53.12 H new ATOM 0 HB3 MET A 56 -21.326 21.207 -11.009 1.00 53.12 H new ATOM 0 HG2 MET A 56 -20.766 23.101 -12.361 1.00 64.01 H new ATOM 0 HG3 MET A 56 -21.483 21.901 -13.417 1.00 64.01 H new ATOM 0 HE1 MET A 56 -23.569 24.134 -15.419 1.00 40.54 H new ATOM 0 HE2 MET A 56 -22.177 23.034 -15.284 1.00 40.54 H new ATOM 0 HE3 MET A 56 -23.813 22.449 -14.900 1.00 40.54 H new ATOM 951 N LEU A 57 -22.309 18.820 -12.473 1.00 62.13 N ATOM 952 CA LEU A 57 -21.906 17.829 -13.465 1.00 52.15 C ATOM 953 C LEU A 57 -23.125 17.190 -14.123 1.00 13.04 C ATOM 954 O LEU A 57 -23.203 17.091 -15.347 1.00 71.33 O ATOM 955 CB LEU A 57 -21.039 16.750 -12.815 1.00 20.02 C ATOM 956 CG LEU A 57 -20.141 15.951 -13.760 1.00 21.55 C ATOM 957 CD1 LEU A 57 -18.915 16.763 -14.146 1.00 52.53 C ATOM 958 CD2 LEU A 57 -19.729 14.634 -13.117 1.00 71.02 C ATOM 0 H LEU A 57 -22.032 18.597 -11.517 1.00 62.13 H new ATOM 0 HA LEU A 57 -21.325 18.338 -14.235 1.00 52.15 H new ATOM 0 HB2 LEU A 57 -20.410 17.223 -12.061 1.00 20.02 H new ATOM 0 HB3 LEU A 57 -21.693 16.053 -12.292 1.00 20.02 H new ATOM 0 HG LEU A 57 -20.705 15.730 -14.666 1.00 21.55 H new ATOM 0 HD11 LEU A 57 -18.288 16.178 -14.819 1.00 52.53 H new ATOM 0 HD12 LEU A 57 -19.228 17.679 -14.647 1.00 52.53 H new ATOM 0 HD13 LEU A 57 -18.349 17.015 -13.250 1.00 52.53 H new ATOM 0 HD21 LEU A 57 -19.090 14.078 -13.803 1.00 71.02 H new ATOM 0 HD22 LEU A 57 -19.183 14.834 -12.195 1.00 71.02 H new ATOM 0 HD23 LEU A 57 -20.618 14.045 -12.892 1.00 71.02 H new ATOM 970 N VAL A 58 -24.077 16.760 -13.300 1.00 70.34 N ATOM 971 CA VAL A 58 -25.295 16.133 -13.801 1.00 44.34 C ATOM 972 C VAL A 58 -26.067 17.082 -14.711 1.00 3.41 C ATOM 973 O VAL A 58 -26.461 16.714 -15.817 1.00 21.31 O ATOM 974 CB VAL A 58 -26.211 15.686 -12.648 1.00 15.15 C ATOM 975 CG1 VAL A 58 -27.494 15.075 -13.191 1.00 31.24 C ATOM 976 CG2 VAL A 58 -25.485 14.704 -11.741 1.00 14.04 C ATOM 0 H VAL A 58 -24.028 16.834 -12.284 1.00 70.34 H new ATOM 0 HA VAL A 58 -24.988 15.256 -14.372 1.00 44.34 H new ATOM 0 HB VAL A 58 -26.476 16.563 -12.057 1.00 15.15 H new ATOM 0 HG11 VAL A 58 -28.129 14.765 -12.361 1.00 31.24 H new ATOM 0 HG12 VAL A 58 -28.021 15.813 -13.795 1.00 31.24 H new ATOM 0 HG13 VAL A 58 -27.252 14.208 -13.806 1.00 31.24 H new ATOM 0 HG21 VAL A 58 -26.148 14.398 -10.931 1.00 14.04 H new ATOM 0 HG22 VAL A 58 -25.188 13.828 -12.317 1.00 14.04 H new ATOM 0 HG23 VAL A 58 -24.598 15.181 -11.324 1.00 14.04 H new ATOM 986 N GLN A 59 -26.278 18.306 -14.237 1.00 53.01 N ATOM 987 CA GLN A 59 -27.004 19.308 -15.008 1.00 41.43 C ATOM 988 C GLN A 59 -26.314 19.573 -16.343 1.00 32.14 C ATOM 989 O GLN A 59 -26.970 19.824 -17.354 1.00 10.42 O ATOM 990 CB GLN A 59 -27.118 20.610 -14.213 1.00 12.10 C ATOM 991 CG GLN A 59 -28.368 21.413 -14.536 1.00 32.41 C ATOM 992 CD GLN A 59 -28.092 22.898 -14.659 1.00 54.13 C ATOM 993 OE1 GLN A 59 -28.079 23.449 -15.760 1.00 40.43 O ATOM 994 NE2 GLN A 59 -27.870 23.555 -13.527 1.00 54.40 N ATOM 0 H GLN A 59 -25.957 18.627 -13.324 1.00 53.01 H new ATOM 0 HA GLN A 59 -28.004 18.923 -15.206 1.00 41.43 H new ATOM 0 HB2 GLN A 59 -27.111 20.377 -13.148 1.00 12.10 H new ATOM 0 HB3 GLN A 59 -26.240 21.225 -14.411 1.00 12.10 H new ATOM 0 HG2 GLN A 59 -28.798 21.049 -15.469 1.00 32.41 H new ATOM 0 HG3 GLN A 59 -29.112 21.249 -13.757 1.00 32.41 H new ATOM 0 HE21 GLN A 59 -27.890 23.058 -12.636 1.00 54.40 H new ATOM 0 HE22 GLN A 59 -27.679 24.557 -13.548 1.00 54.40 H new ATOM 1003 N LYS A 60 -24.987 19.515 -16.339 1.00 22.25 N ATOM 1004 CA LYS A 60 -24.207 19.747 -17.548 1.00 64.02 C ATOM 1005 C LYS A 60 -24.350 18.580 -18.520 1.00 41.44 C ATOM 1006 O LYS A 60 -24.362 18.771 -19.737 1.00 24.33 O ATOM 1007 CB LYS A 60 -22.731 19.953 -17.197 1.00 15.43 C ATOM 1008 CG LYS A 60 -21.829 20.083 -18.412 1.00 20.55 C ATOM 1009 CD LYS A 60 -22.215 21.277 -19.268 1.00 65.11 C ATOM 1010 CE LYS A 60 -21.077 21.694 -20.187 1.00 5.41 C ATOM 1011 NZ LYS A 60 -21.160 21.023 -21.513 1.00 64.53 N ATOM 0 H LYS A 60 -24.429 19.309 -15.511 1.00 22.25 H new ATOM 0 HA LYS A 60 -24.589 20.647 -18.029 1.00 64.02 H new ATOM 0 HB2 LYS A 60 -22.634 20.850 -16.585 1.00 15.43 H new ATOM 0 HB3 LYS A 60 -22.390 19.114 -16.590 1.00 15.43 H new ATOM 0 HG2 LYS A 60 -20.793 20.186 -18.088 1.00 20.55 H new ATOM 0 HG3 LYS A 60 -21.887 19.173 -19.009 1.00 20.55 H new ATOM 0 HD2 LYS A 60 -23.094 21.030 -19.864 1.00 65.11 H new ATOM 0 HD3 LYS A 60 -22.490 22.113 -18.625 1.00 65.11 H new ATOM 0 HE2 LYS A 60 -21.099 22.775 -20.325 1.00 5.41 H new ATOM 0 HE3 LYS A 60 -20.124 21.452 -19.717 1.00 5.41 H new ATOM 0 HZ1 LYS A 60 -20.367 21.334 -22.110 1.00 64.53 H new ATOM 0 HZ2 LYS A 60 -21.113 19.992 -21.384 1.00 64.53 H new ATOM 0 HZ3 LYS A 60 -22.058 21.274 -21.973 1.00 64.53 H new ATOM 1025 N PHE A 61 -24.460 17.373 -17.976 1.00 73.14 N ATOM 1026 CA PHE A 61 -24.604 16.175 -18.796 1.00 44.41 C ATOM 1027 C PHE A 61 -26.020 16.064 -19.354 1.00 4.41 C ATOM 1028 O PHE A 61 -26.301 15.216 -20.199 1.00 43.14 O ATOM 1029 CB PHE A 61 -24.267 14.928 -17.977 1.00 62.40 C ATOM 1030 CG PHE A 61 -22.930 14.332 -18.315 1.00 31.33 C ATOM 1031 CD1 PHE A 61 -21.770 14.830 -17.743 1.00 34.40 C ATOM 1032 CD2 PHE A 61 -22.833 13.274 -19.204 1.00 72.13 C ATOM 1033 CE1 PHE A 61 -20.539 14.283 -18.051 1.00 43.32 C ATOM 1034 CE2 PHE A 61 -21.605 12.723 -19.516 1.00 45.31 C ATOM 1035 CZ PHE A 61 -20.456 13.229 -18.940 1.00 3.42 C ATOM 0 H PHE A 61 -24.452 17.198 -16.971 1.00 73.14 H new ATOM 0 HA PHE A 61 -23.909 16.251 -19.632 1.00 44.41 H new ATOM 0 HB2 PHE A 61 -24.285 15.183 -16.917 1.00 62.40 H new ATOM 0 HB3 PHE A 61 -25.041 14.178 -18.137 1.00 62.40 H new ATOM 0 HD1 PHE A 61 -21.829 15.655 -17.049 1.00 34.40 H new ATOM 0 HD2 PHE A 61 -23.728 12.875 -19.659 1.00 72.13 H new ATOM 0 HE1 PHE A 61 -19.643 14.679 -17.597 1.00 43.32 H new ATOM 0 HE2 PHE A 61 -21.544 11.897 -20.210 1.00 45.31 H new ATOM 0 HZ PHE A 61 -19.495 12.801 -19.184 1.00 3.42 H new ATOM 1045 N GLY A 62 -26.908 16.928 -18.873 1.00 13.52 N ATOM 1046 CA GLY A 62 -28.284 16.911 -19.333 1.00 74.03 C ATOM 1047 C GLY A 62 -29.211 16.201 -18.366 1.00 4.21 C ATOM 1048 O GLY A 62 -30.262 15.698 -18.758 1.00 72.45 O ATOM 0 H GLY A 62 -26.699 17.640 -18.173 1.00 13.52 H new ATOM 0 HA2 GLY A 62 -28.629 17.935 -19.476 1.00 74.03 H new ATOM 0 HA3 GLY A 62 -28.333 16.420 -20.305 1.00 74.03 H new ATOM 1052 N GLY A 63 -28.818 16.159 -17.096 1.00 15.30 N ATOM 1053 CA GLY A 63 -29.632 15.502 -16.090 1.00 23.12 C ATOM 1054 C GLY A 63 -29.369 14.011 -16.015 1.00 5.01 C ATOM 1055 O GLY A 63 -28.950 13.398 -16.996 1.00 73.25 O ATOM 0 H GLY A 63 -27.951 16.568 -16.746 1.00 15.30 H new ATOM 0 HA2 GLY A 63 -29.435 15.952 -15.117 1.00 23.12 H new ATOM 0 HA3 GLY A 63 -30.686 15.671 -16.312 1.00 23.12 H new ATOM 1059 N ALA A 64 -29.612 13.427 -14.847 1.00 34.45 N ATOM 1060 CA ALA A 64 -29.399 11.998 -14.648 1.00 14.45 C ATOM 1061 C ALA A 64 -30.101 11.183 -15.728 1.00 35.10 C ATOM 1062 O ALA A 64 -29.629 10.115 -16.119 1.00 0.34 O ATOM 1063 CB ALA A 64 -29.885 11.580 -13.268 1.00 34.51 C ATOM 0 H ALA A 64 -29.957 13.921 -14.024 1.00 34.45 H new ATOM 0 HA ALA A 64 -28.329 11.801 -14.720 1.00 14.45 H new ATOM 0 HB1 ALA A 64 -29.720 10.511 -13.133 1.00 34.51 H new ATOM 0 HB2 ALA A 64 -29.334 12.132 -12.506 1.00 34.51 H new ATOM 0 HB3 ALA A 64 -30.949 11.798 -13.176 1.00 34.51 H new ATOM 1069 N ASP A 65 -31.231 11.692 -16.206 1.00 75.12 N ATOM 1070 CA ASP A 65 -31.999 11.011 -17.242 1.00 62.53 C ATOM 1071 C ASP A 65 -31.196 10.910 -18.536 1.00 12.33 C ATOM 1072 O ASP A 65 -31.270 9.908 -19.246 1.00 43.11 O ATOM 1073 CB ASP A 65 -33.315 11.747 -17.500 1.00 24.43 C ATOM 1074 CG ASP A 65 -34.035 12.110 -16.216 1.00 74.14 C ATOM 1075 OD1 ASP A 65 -34.119 11.246 -15.319 1.00 11.34 O ATOM 1076 OD2 ASP A 65 -34.517 13.258 -16.110 1.00 65.32 O ATOM 0 H ASP A 65 -31.636 12.574 -15.893 1.00 75.12 H new ATOM 0 HA ASP A 65 -32.219 10.002 -16.892 1.00 62.53 H new ATOM 0 HB2 ASP A 65 -33.115 12.654 -18.070 1.00 24.43 H new ATOM 0 HB3 ASP A 65 -33.964 11.122 -18.113 1.00 24.43 H new ATOM 1081 N GLN A 66 -30.432 11.956 -18.834 1.00 61.13 N ATOM 1082 CA GLN A 66 -29.617 11.985 -20.043 1.00 53.53 C ATOM 1083 C GLN A 66 -28.473 10.981 -19.954 1.00 33.13 C ATOM 1084 O GLN A 66 -28.125 10.332 -20.940 1.00 23.32 O ATOM 1085 CB GLN A 66 -29.060 13.391 -20.274 1.00 54.31 C ATOM 1086 CG GLN A 66 -28.221 13.514 -21.536 1.00 34.22 C ATOM 1087 CD GLN A 66 -28.403 14.849 -22.230 1.00 52.13 C ATOM 1088 OE1 GLN A 66 -27.433 15.553 -22.512 1.00 63.51 O ATOM 1089 NE2 GLN A 66 -29.651 15.206 -22.511 1.00 32.25 N ATOM 0 H GLN A 66 -30.360 12.793 -18.256 1.00 61.13 H new ATOM 0 HA GLN A 66 -30.252 11.710 -20.885 1.00 53.53 H new ATOM 0 HB2 GLN A 66 -29.889 14.097 -20.329 1.00 54.31 H new ATOM 0 HB3 GLN A 66 -28.453 13.678 -19.415 1.00 54.31 H new ATOM 0 HG2 GLN A 66 -27.169 13.381 -21.283 1.00 34.22 H new ATOM 0 HG3 GLN A 66 -28.487 12.712 -22.224 1.00 34.22 H new ATOM 0 HE21 GLN A 66 -30.426 14.592 -22.260 1.00 32.25 H new ATOM 0 HE22 GLN A 66 -29.835 16.094 -22.978 1.00 32.25 H new ATOM 1098 N VAL A 67 -27.892 10.858 -18.765 1.00 1.14 N ATOM 1099 CA VAL A 67 -26.787 9.932 -18.546 1.00 12.03 C ATOM 1100 C VAL A 67 -27.252 8.485 -18.664 1.00 63.22 C ATOM 1101 O VAL A 67 -26.542 7.635 -19.203 1.00 23.34 O ATOM 1102 CB VAL A 67 -26.145 10.142 -17.162 1.00 21.24 C ATOM 1103 CG1 VAL A 67 -24.877 9.312 -17.030 1.00 32.53 C ATOM 1104 CG2 VAL A 67 -25.853 11.616 -16.928 1.00 40.41 C ATOM 0 H VAL A 67 -28.168 11.388 -17.938 1.00 1.14 H new ATOM 0 HA VAL A 67 -26.045 10.136 -19.317 1.00 12.03 H new ATOM 0 HB VAL A 67 -26.850 9.809 -16.400 1.00 21.24 H new ATOM 0 HG11 VAL A 67 -24.437 9.473 -16.046 1.00 32.53 H new ATOM 0 HG12 VAL A 67 -25.119 8.256 -17.151 1.00 32.53 H new ATOM 0 HG13 VAL A 67 -24.165 9.611 -17.799 1.00 32.53 H new ATOM 0 HG21 VAL A 67 -25.400 11.746 -15.945 1.00 40.41 H new ATOM 0 HG22 VAL A 67 -25.167 11.977 -17.694 1.00 40.41 H new ATOM 0 HG23 VAL A 67 -26.783 12.183 -16.976 1.00 40.41 H new ATOM 1114 N THR A 68 -28.450 8.210 -18.158 1.00 1.13 N ATOM 1115 CA THR A 68 -29.010 6.866 -18.206 1.00 30.52 C ATOM 1116 C THR A 68 -29.632 6.577 -19.568 1.00 4.35 C ATOM 1117 O THR A 68 -29.685 5.428 -20.005 1.00 64.14 O ATOM 1118 CB THR A 68 -30.077 6.662 -17.114 1.00 0.03 C ATOM 1119 OG1 THR A 68 -30.560 5.314 -17.146 1.00 13.50 O ATOM 1120 CG2 THR A 68 -31.237 7.627 -17.304 1.00 54.03 C ATOM 0 H THR A 68 -29.051 8.901 -17.710 1.00 1.13 H new ATOM 0 HA THR A 68 -28.186 6.175 -18.032 1.00 30.52 H new ATOM 0 HB THR A 68 -29.617 6.859 -16.146 1.00 0.03 H new ATOM 0 HG1 THR A 68 -31.237 5.192 -16.448 1.00 13.50 H new ATOM 0 HG21 THR A 68 -31.978 7.464 -16.521 1.00 54.03 H new ATOM 0 HG22 THR A 68 -30.870 8.652 -17.249 1.00 54.03 H new ATOM 0 HG23 THR A 68 -31.695 7.458 -18.278 1.00 54.03 H new ATOM 1128 N ARG A 69 -30.100 7.628 -20.233 1.00 74.32 N ATOM 1129 CA ARG A 69 -30.719 7.487 -21.546 1.00 31.53 C ATOM 1130 C ARG A 69 -29.780 6.776 -22.516 1.00 44.50 C ATOM 1131 O ARG A 69 -30.208 5.943 -23.316 1.00 0.45 O ATOM 1132 CB ARG A 69 -31.103 8.859 -22.103 1.00 24.24 C ATOM 1133 CG ARG A 69 -31.710 8.803 -23.495 1.00 34.04 C ATOM 1134 CD ARG A 69 -32.928 7.893 -23.535 1.00 12.13 C ATOM 1135 NE ARG A 69 -33.998 8.372 -22.664 1.00 13.21 N ATOM 1136 CZ ARG A 69 -35.076 7.657 -22.362 1.00 72.14 C ATOM 1137 NH1 ARG A 69 -35.226 6.437 -22.859 1.00 32.43 N ATOM 1138 NH2 ARG A 69 -36.007 8.162 -21.563 1.00 22.14 N ATOM 0 H ARG A 69 -30.063 8.586 -19.885 1.00 74.32 H new ATOM 0 HA ARG A 69 -31.620 6.884 -21.432 1.00 31.53 H new ATOM 0 HB2 ARG A 69 -31.814 9.331 -21.425 1.00 24.24 H new ATOM 0 HB3 ARG A 69 -30.217 9.493 -22.128 1.00 24.24 H new ATOM 0 HG2 ARG A 69 -31.994 9.807 -23.810 1.00 34.04 H new ATOM 0 HG3 ARG A 69 -30.964 8.445 -24.205 1.00 34.04 H new ATOM 0 HD2 ARG A 69 -33.297 7.826 -24.559 1.00 12.13 H new ATOM 0 HD3 ARG A 69 -32.638 6.886 -23.234 1.00 12.13 H new ATOM 0 HE ARG A 69 -33.913 9.307 -22.266 1.00 13.21 H new ATOM 0 HH11 ARG A 69 -34.513 6.046 -23.474 1.00 32.43 H new ATOM 0 HH12 ARG A 69 -36.055 5.890 -22.626 1.00 32.43 H new ATOM 0 HH21 ARG A 69 -35.896 9.101 -21.180 1.00 22.14 H new ATOM 0 HH22 ARG A 69 -36.834 7.612 -21.332 1.00 22.14 H new ATOM 1152 N THR A 70 -28.495 7.112 -22.441 1.00 13.11 N ATOM 1153 CA THR A 70 -27.495 6.509 -23.313 1.00 34.32 C ATOM 1154 C THR A 70 -26.660 5.478 -22.561 1.00 54.42 C ATOM 1155 O THR A 70 -25.687 4.948 -23.095 1.00 25.24 O ATOM 1156 CB THR A 70 -26.558 7.573 -23.913 1.00 40.14 C ATOM 1157 OG1 THR A 70 -25.966 8.351 -22.867 1.00 51.21 O ATOM 1158 CG2 THR A 70 -27.316 8.487 -24.865 1.00 63.40 C ATOM 0 H THR A 70 -28.123 7.799 -21.785 1.00 13.11 H new ATOM 0 HA THR A 70 -28.036 6.016 -24.120 1.00 34.32 H new ATOM 0 HB THR A 70 -25.775 7.061 -24.472 1.00 40.14 H new ATOM 0 HG1 THR A 70 -25.370 9.024 -23.257 1.00 51.21 H new ATOM 0 HG21 THR A 70 -26.633 9.230 -25.276 1.00 63.40 H new ATOM 0 HG22 THR A 70 -27.740 7.896 -25.676 1.00 63.40 H new ATOM 0 HG23 THR A 70 -28.118 8.990 -24.325 1.00 63.40 H new ATOM 1166 N GLN A 71 -27.048 5.200 -21.321 1.00 35.11 N ATOM 1167 CA GLN A 71 -26.334 4.232 -20.497 1.00 12.34 C ATOM 1168 C GLN A 71 -24.855 4.591 -20.394 1.00 15.13 C ATOM 1169 O GLN A 71 -23.987 3.747 -20.610 1.00 25.24 O ATOM 1170 CB GLN A 71 -26.491 2.825 -21.074 1.00 64.53 C ATOM 1171 CG GLN A 71 -26.415 1.725 -20.027 1.00 41.30 C ATOM 1172 CD GLN A 71 -26.200 0.353 -20.635 1.00 43.54 C ATOM 1173 OE1 GLN A 71 -25.758 0.231 -21.778 1.00 63.21 O ATOM 1174 NE2 GLN A 71 -26.512 -0.688 -19.873 1.00 25.10 N ATOM 0 H GLN A 71 -27.852 5.631 -20.865 1.00 35.11 H new ATOM 0 HA GLN A 71 -26.765 4.256 -19.496 1.00 12.34 H new ATOM 0 HB2 GLN A 71 -27.449 2.758 -21.590 1.00 64.53 H new ATOM 0 HB3 GLN A 71 -25.714 2.659 -21.820 1.00 64.53 H new ATOM 0 HG2 GLN A 71 -25.601 1.943 -19.335 1.00 41.30 H new ATOM 0 HG3 GLN A 71 -27.336 1.719 -19.444 1.00 41.30 H new ATOM 0 HE21 GLN A 71 -26.875 -0.540 -18.931 1.00 25.10 H new ATOM 0 HE22 GLN A 71 -26.388 -1.636 -20.229 1.00 25.10 H new ATOM 1183 N GLN A 72 -24.578 5.848 -20.063 1.00 53.23 N ATOM 1184 CA GLN A 72 -23.204 6.318 -19.933 1.00 51.12 C ATOM 1185 C GLN A 72 -22.848 6.562 -18.470 1.00 72.33 C ATOM 1186 O GLN A 72 -21.763 7.052 -18.159 1.00 41.21 O ATOM 1187 CB GLN A 72 -23.003 7.602 -20.740 1.00 14.21 C ATOM 1188 CG GLN A 72 -22.771 7.359 -22.222 1.00 53.35 C ATOM 1189 CD GLN A 72 -21.309 7.142 -22.556 1.00 64.52 C ATOM 1190 OE1 GLN A 72 -20.462 7.060 -21.666 1.00 11.24 O ATOM 1191 NE2 GLN A 72 -21.003 7.046 -23.845 1.00 31.31 N ATOM 0 H GLN A 72 -25.286 6.559 -19.880 1.00 53.23 H new ATOM 0 HA GLN A 72 -22.544 5.544 -20.324 1.00 51.12 H new ATOM 0 HB2 GLN A 72 -23.879 8.239 -20.618 1.00 14.21 H new ATOM 0 HB3 GLN A 72 -22.152 8.148 -20.332 1.00 14.21 H new ATOM 0 HG2 GLN A 72 -23.345 6.488 -22.538 1.00 53.35 H new ATOM 0 HG3 GLN A 72 -23.147 8.211 -22.789 1.00 53.35 H new ATOM 0 HE21 GLN A 72 -21.736 7.120 -24.550 1.00 31.31 H new ATOM 0 HE22 GLN A 72 -20.035 6.899 -24.130 1.00 31.31 H new ATOM 1200 N TRP A 73 -23.769 6.217 -17.578 1.00 22.54 N ATOM 1201 CA TRP A 73 -23.552 6.398 -16.147 1.00 3.42 C ATOM 1202 C TRP A 73 -22.307 5.649 -15.686 1.00 3.05 C ATOM 1203 O TRP A 73 -21.569 6.124 -14.822 1.00 51.32 O ATOM 1204 CB TRP A 73 -24.772 5.918 -15.360 1.00 31.01 C ATOM 1205 CG TRP A 73 -25.250 4.560 -15.776 1.00 32.31 C ATOM 1206 CD1 TRP A 73 -26.212 4.278 -16.703 1.00 53.03 C ATOM 1207 CD2 TRP A 73 -24.789 3.299 -15.278 1.00 11.25 C ATOM 1208 NE1 TRP A 73 -26.377 2.918 -16.811 1.00 52.24 N ATOM 1209 CE2 TRP A 73 -25.515 2.295 -15.948 1.00 52.40 C ATOM 1210 CE3 TRP A 73 -23.832 2.921 -14.332 1.00 34.40 C ATOM 1211 CZ2 TRP A 73 -25.314 0.940 -15.700 1.00 42.24 C ATOM 1212 CZ3 TRP A 73 -23.634 1.575 -14.087 1.00 41.12 C ATOM 1213 CH2 TRP A 73 -24.371 0.598 -14.770 1.00 1.15 C ATOM 0 H TRP A 73 -24.673 5.811 -17.820 1.00 22.54 H new ATOM 0 HA TRP A 73 -23.403 7.461 -15.959 1.00 3.42 H new ATOM 0 HB2 TRP A 73 -24.526 5.899 -14.298 1.00 31.01 H new ATOM 0 HB3 TRP A 73 -25.583 6.635 -15.487 1.00 31.01 H new ATOM 0 HD1 TRP A 73 -26.762 5.015 -17.268 1.00 53.03 H new ATOM 0 HE1 TRP A 73 -27.035 2.448 -17.433 1.00 52.24 H new ATOM 0 HE3 TRP A 73 -23.258 3.667 -13.802 1.00 34.40 H new ATOM 0 HZ2 TRP A 73 -25.882 0.185 -16.223 1.00 42.24 H new ATOM 0 HZ3 TRP A 73 -22.899 1.271 -13.357 1.00 41.12 H new ATOM 0 HH2 TRP A 73 -24.191 -0.446 -14.558 1.00 1.15 H new ATOM 1224 N SER A 74 -22.078 4.475 -16.266 1.00 53.43 N ATOM 1225 CA SER A 74 -20.924 3.659 -15.911 1.00 65.35 C ATOM 1226 C SER A 74 -19.625 4.349 -16.316 1.00 42.43 C ATOM 1227 O SER A 74 -18.616 4.256 -15.618 1.00 1.22 O ATOM 1228 CB SER A 74 -21.016 2.287 -16.584 1.00 12.55 C ATOM 1229 OG SER A 74 -19.767 1.619 -16.553 1.00 41.22 O ATOM 0 H SER A 74 -22.677 4.068 -16.984 1.00 53.43 H new ATOM 0 HA SER A 74 -20.923 3.527 -14.829 1.00 65.35 H new ATOM 0 HB2 SER A 74 -21.769 1.681 -16.080 1.00 12.55 H new ATOM 0 HB3 SER A 74 -21.343 2.406 -17.617 1.00 12.55 H new ATOM 0 HG SER A 74 -19.853 0.745 -16.988 1.00 41.22 H new ATOM 1235 N MET A 75 -19.659 5.042 -17.450 1.00 1.43 N ATOM 1236 CA MET A 75 -18.485 5.750 -17.948 1.00 12.22 C ATOM 1237 C MET A 75 -18.162 6.954 -17.068 1.00 72.21 C ATOM 1238 O MET A 75 -17.014 7.156 -16.673 1.00 41.44 O ATOM 1239 CB MET A 75 -18.712 6.205 -19.391 1.00 64.30 C ATOM 1240 CG MET A 75 -17.554 5.877 -20.320 1.00 72.42 C ATOM 1241 SD MET A 75 -17.684 4.227 -21.036 1.00 31.34 S ATOM 1242 CE MET A 75 -16.134 3.504 -20.503 1.00 72.12 C ATOM 0 H MET A 75 -20.486 5.128 -18.041 1.00 1.43 H new ATOM 0 HA MET A 75 -17.639 5.064 -17.919 1.00 12.22 H new ATOM 0 HB2 MET A 75 -19.618 5.735 -19.773 1.00 64.30 H new ATOM 0 HB3 MET A 75 -18.882 7.282 -19.402 1.00 64.30 H new ATOM 0 HG2 MET A 75 -17.516 6.615 -21.122 1.00 72.42 H new ATOM 0 HG3 MET A 75 -16.617 5.957 -19.769 1.00 72.42 H new ATOM 0 HE1 MET A 75 -16.066 2.480 -20.869 1.00 72.12 H new ATOM 0 HE2 MET A 75 -15.304 4.088 -20.901 1.00 72.12 H new ATOM 0 HE3 MET A 75 -16.088 3.504 -19.414 1.00 72.12 H new ATOM 1252 N VAL A 76 -19.182 7.750 -16.765 1.00 13.34 N ATOM 1253 CA VAL A 76 -19.007 8.933 -15.931 1.00 3.41 C ATOM 1254 C VAL A 76 -18.717 8.548 -14.485 1.00 1.44 C ATOM 1255 O VAL A 76 -17.883 9.166 -13.822 1.00 75.23 O ATOM 1256 CB VAL A 76 -20.253 9.838 -15.970 1.00 71.41 C ATOM 1257 CG1 VAL A 76 -21.478 9.080 -15.482 1.00 73.33 C ATOM 1258 CG2 VAL A 76 -20.027 11.092 -15.140 1.00 42.32 C ATOM 0 H VAL A 76 -20.138 7.597 -17.085 1.00 13.34 H new ATOM 0 HA VAL A 76 -18.156 9.482 -16.336 1.00 3.41 H new ATOM 0 HB VAL A 76 -20.429 10.140 -17.002 1.00 71.41 H new ATOM 0 HG11 VAL A 76 -22.349 9.735 -15.516 1.00 73.33 H new ATOM 0 HG12 VAL A 76 -21.649 8.215 -16.122 1.00 73.33 H new ATOM 0 HG13 VAL A 76 -21.315 8.747 -14.457 1.00 73.33 H new ATOM 0 HG21 VAL A 76 -20.917 11.720 -15.179 1.00 42.32 H new ATOM 0 HG22 VAL A 76 -19.825 10.812 -14.106 1.00 42.32 H new ATOM 0 HG23 VAL A 76 -19.176 11.644 -15.539 1.00 42.32 H new ATOM 1268 N ALA A 77 -19.411 7.523 -14.001 1.00 4.45 N ATOM 1269 CA ALA A 77 -19.226 7.054 -12.633 1.00 60.20 C ATOM 1270 C ALA A 77 -17.763 6.723 -12.359 1.00 2.11 C ATOM 1271 O ALA A 77 -17.254 6.979 -11.268 1.00 44.12 O ATOM 1272 CB ALA A 77 -20.102 5.838 -12.370 1.00 11.14 C ATOM 0 H ALA A 77 -20.106 7.002 -14.536 1.00 4.45 H new ATOM 0 HA ALA A 77 -19.523 7.856 -11.957 1.00 60.20 H new ATOM 0 HB1 ALA A 77 -19.954 5.498 -11.345 1.00 11.14 H new ATOM 0 HB2 ALA A 77 -21.149 6.105 -12.516 1.00 11.14 H new ATOM 0 HB3 ALA A 77 -19.832 5.039 -13.060 1.00 11.14 H new ATOM 1278 N GLN A 78 -17.093 6.153 -13.355 1.00 72.43 N ATOM 1279 CA GLN A 78 -15.688 5.786 -13.220 1.00 35.14 C ATOM 1280 C GLN A 78 -14.818 7.024 -13.031 1.00 13.12 C ATOM 1281 O GLN A 78 -13.796 6.978 -12.347 1.00 23.30 O ATOM 1282 CB GLN A 78 -15.223 5.003 -14.449 1.00 2.43 C ATOM 1283 CG GLN A 78 -13.997 4.142 -14.193 1.00 20.42 C ATOM 1284 CD GLN A 78 -13.102 4.023 -15.411 1.00 34.21 C ATOM 1285 OE1 GLN A 78 -12.292 4.907 -15.689 1.00 11.30 O ATOM 1286 NE2 GLN A 78 -13.245 2.926 -16.145 1.00 64.34 N ATOM 0 H GLN A 78 -17.500 5.935 -14.264 1.00 72.43 H new ATOM 0 HA GLN A 78 -15.586 5.155 -12.337 1.00 35.14 H new ATOM 0 HB2 GLN A 78 -16.038 4.367 -14.794 1.00 2.43 H new ATOM 0 HB3 GLN A 78 -15.003 5.704 -15.254 1.00 2.43 H new ATOM 0 HG2 GLN A 78 -13.426 4.566 -13.367 1.00 20.42 H new ATOM 0 HG3 GLN A 78 -14.315 3.147 -13.882 1.00 20.42 H new ATOM 0 HE21 GLN A 78 -13.929 2.219 -15.877 1.00 64.34 H new ATOM 0 HE22 GLN A 78 -12.670 2.790 -16.977 1.00 64.34 H new ATOM 1295 N ARG A 79 -15.231 8.130 -13.642 1.00 30.04 N ATOM 1296 CA ARG A 79 -14.488 9.380 -13.542 1.00 11.41 C ATOM 1297 C ARG A 79 -14.341 9.811 -12.085 1.00 55.14 C ATOM 1298 O ARG A 79 -13.269 10.243 -11.659 1.00 74.23 O ATOM 1299 CB ARG A 79 -15.189 10.480 -14.342 1.00 20.01 C ATOM 1300 CG ARG A 79 -14.231 11.454 -15.008 1.00 24.31 C ATOM 1301 CD ARG A 79 -14.130 11.201 -16.504 1.00 40.10 C ATOM 1302 NE ARG A 79 -13.808 12.418 -17.244 1.00 44.12 N ATOM 1303 CZ ARG A 79 -13.702 12.467 -18.567 1.00 44.24 C ATOM 1304 NH1 ARG A 79 -13.892 11.373 -19.292 1.00 42.30 N ATOM 1305 NH2 ARG A 79 -13.405 13.612 -19.168 1.00 51.44 N ATOM 0 H ARG A 79 -16.076 8.185 -14.211 1.00 30.04 H new ATOM 0 HA ARG A 79 -13.493 9.216 -13.956 1.00 11.41 H new ATOM 0 HB2 ARG A 79 -15.815 10.019 -15.106 1.00 20.01 H new ATOM 0 HB3 ARG A 79 -15.853 11.033 -13.678 1.00 20.01 H new ATOM 0 HG2 ARG A 79 -14.569 12.475 -14.833 1.00 24.31 H new ATOM 0 HG3 ARG A 79 -13.244 11.362 -14.555 1.00 24.31 H new ATOM 0 HD2 ARG A 79 -13.365 10.448 -16.694 1.00 40.10 H new ATOM 0 HD3 ARG A 79 -15.074 10.795 -16.868 1.00 40.10 H new ATOM 0 HE ARG A 79 -13.656 13.277 -16.716 1.00 44.12 H new ATOM 0 HH11 ARG A 79 -14.120 10.491 -18.834 1.00 42.30 H new ATOM 0 HH12 ARG A 79 -13.810 11.414 -20.308 1.00 42.30 H new ATOM 0 HH21 ARG A 79 -13.258 14.456 -18.614 1.00 51.44 H new ATOM 0 HH22 ARG A 79 -13.324 13.649 -20.184 1.00 51.44 H new ATOM 1319 N LEU A 80 -15.425 9.691 -11.327 1.00 13.53 N ATOM 1320 CA LEU A 80 -15.418 10.069 -9.918 1.00 33.35 C ATOM 1321 C LEU A 80 -15.208 8.848 -9.028 1.00 24.30 C ATOM 1322 O LEU A 80 -15.089 8.970 -7.809 1.00 73.42 O ATOM 1323 CB LEU A 80 -16.731 10.762 -9.548 1.00 44.53 C ATOM 1324 CG LEU A 80 -18.007 10.112 -10.083 1.00 31.14 C ATOM 1325 CD1 LEU A 80 -19.151 10.291 -9.096 1.00 24.50 C ATOM 1326 CD2 LEU A 80 -18.375 10.695 -11.439 1.00 71.44 C ATOM 0 H LEU A 80 -16.320 9.335 -11.664 1.00 13.53 H new ATOM 0 HA LEU A 80 -14.591 10.761 -9.758 1.00 33.35 H new ATOM 0 HB2 LEU A 80 -16.800 10.810 -8.461 1.00 44.53 H new ATOM 0 HB3 LEU A 80 -16.691 11.789 -9.910 1.00 44.53 H new ATOM 0 HG LEU A 80 -17.824 9.045 -10.207 1.00 31.14 H new ATOM 0 HD11 LEU A 80 -20.051 9.822 -9.493 1.00 24.50 H new ATOM 0 HD12 LEU A 80 -18.888 9.825 -8.146 1.00 24.50 H new ATOM 0 HD13 LEU A 80 -19.334 11.354 -8.940 1.00 24.50 H new ATOM 0 HD21 LEU A 80 -19.286 10.220 -11.804 1.00 71.44 H new ATOM 0 HD22 LEU A 80 -18.539 11.768 -11.341 1.00 71.44 H new ATOM 0 HD23 LEU A 80 -17.564 10.515 -12.145 1.00 71.44 H new ATOM 1338 N GLN A 81 -15.160 7.672 -9.647 1.00 2.32 N ATOM 1339 CA GLN A 81 -14.962 6.429 -8.910 1.00 44.55 C ATOM 1340 C GLN A 81 -16.135 6.157 -7.976 1.00 15.44 C ATOM 1341 O GLN A 81 -15.946 5.862 -6.795 1.00 43.14 O ATOM 1342 CB GLN A 81 -13.660 6.489 -8.110 1.00 24.53 C ATOM 1343 CG GLN A 81 -12.933 5.156 -8.030 1.00 71.44 C ATOM 1344 CD GLN A 81 -13.022 4.524 -6.655 1.00 64.53 C ATOM 1345 OE1 GLN A 81 -12.651 5.136 -5.653 1.00 70.51 O ATOM 1346 NE2 GLN A 81 -13.515 3.292 -6.600 1.00 63.22 N ATOM 0 H GLN A 81 -15.255 7.554 -10.656 1.00 2.32 H new ATOM 0 HA GLN A 81 -14.900 5.614 -9.631 1.00 44.55 H new ATOM 0 HB2 GLN A 81 -12.999 7.227 -8.563 1.00 24.53 H new ATOM 0 HB3 GLN A 81 -13.880 6.835 -7.100 1.00 24.53 H new ATOM 0 HG2 GLN A 81 -13.353 4.472 -8.768 1.00 71.44 H new ATOM 0 HG3 GLN A 81 -11.885 5.302 -8.291 1.00 71.44 H new ATOM 0 HE21 GLN A 81 -13.810 2.822 -7.456 1.00 63.22 H new ATOM 0 HE22 GLN A 81 -13.598 2.816 -5.702 1.00 63.22 H new ATOM 1355 N ILE A 82 -17.347 6.259 -8.511 1.00 14.33 N ATOM 1356 CA ILE A 82 -18.552 6.023 -7.724 1.00 5.40 C ATOM 1357 C ILE A 82 -19.145 4.652 -8.026 1.00 34.32 C ATOM 1358 O ILE A 82 -19.829 4.062 -7.189 1.00 52.20 O ATOM 1359 CB ILE A 82 -19.618 7.102 -7.990 1.00 52.01 C ATOM 1360 CG1 ILE A 82 -20.841 6.871 -7.100 1.00 54.14 C ATOM 1361 CG2 ILE A 82 -20.017 7.102 -9.458 1.00 63.03 C ATOM 1362 CD1 ILE A 82 -21.272 8.102 -6.334 1.00 53.11 C ATOM 0 H ILE A 82 -17.521 6.503 -9.486 1.00 14.33 H new ATOM 0 HA ILE A 82 -18.258 6.066 -6.675 1.00 5.40 H new ATOM 0 HB ILE A 82 -19.195 8.077 -7.749 1.00 52.01 H new ATOM 0 HG12 ILE A 82 -21.671 6.529 -7.718 1.00 54.14 H new ATOM 0 HG13 ILE A 82 -20.620 6.072 -6.393 1.00 54.14 H new ATOM 0 HG21 ILE A 82 -20.771 7.870 -9.630 1.00 63.03 H new ATOM 0 HG22 ILE A 82 -19.141 7.309 -10.073 1.00 63.03 H new ATOM 0 HG23 ILE A 82 -20.425 6.127 -9.724 1.00 63.03 H new ATOM 0 HD11 ILE A 82 -22.144 7.865 -5.725 1.00 53.11 H new ATOM 0 HD12 ILE A 82 -20.458 8.433 -5.689 1.00 53.11 H new ATOM 0 HD13 ILE A 82 -21.525 8.897 -7.035 1.00 53.11 H new ATOM 1374 N SER A 83 -18.878 4.148 -9.227 1.00 11.44 N ATOM 1375 CA SER A 83 -19.388 2.846 -9.640 1.00 44.23 C ATOM 1376 C SER A 83 -18.349 2.094 -10.467 1.00 51.21 C ATOM 1377 O SER A 83 -18.537 1.867 -11.662 1.00 73.53 O ATOM 1378 CB SER A 83 -20.676 3.012 -10.448 1.00 52.42 C ATOM 1379 OG SER A 83 -21.490 1.856 -10.354 1.00 64.14 O ATOM 0 H SER A 83 -18.312 4.622 -9.931 1.00 11.44 H new ATOM 0 HA SER A 83 -19.603 2.266 -8.743 1.00 44.23 H new ATOM 0 HB2 SER A 83 -21.227 3.879 -10.085 1.00 52.42 H new ATOM 0 HB3 SER A 83 -20.431 3.204 -11.493 1.00 52.42 H new ATOM 0 HG SER A 83 -22.308 1.988 -10.878 1.00 64.14 H new ATOM 1385 N ASP A 84 -17.253 1.711 -9.822 1.00 1.33 N ATOM 1386 CA ASP A 84 -16.184 0.984 -10.496 1.00 23.25 C ATOM 1387 C ASP A 84 -16.376 -0.523 -10.350 1.00 4.42 C ATOM 1388 O ASP A 84 -15.510 -1.221 -9.822 1.00 4.31 O ATOM 1389 CB ASP A 84 -14.823 1.394 -9.930 1.00 13.24 C ATOM 1390 CG ASP A 84 -14.271 2.639 -10.596 1.00 1.14 C ATOM 1391 OD1 ASP A 84 -15.029 3.620 -10.740 1.00 54.31 O ATOM 1392 OD2 ASP A 84 -13.080 2.632 -10.973 1.00 73.22 O ATOM 0 H ASP A 84 -17.081 1.892 -8.833 1.00 1.33 H new ATOM 0 HA ASP A 84 -16.219 1.236 -11.556 1.00 23.25 H new ATOM 0 HB2 ASP A 84 -14.916 1.570 -8.858 1.00 13.24 H new ATOM 0 HB3 ASP A 84 -14.117 0.573 -10.058 1.00 13.24 H new ATOM 1397 N TYR A 85 -17.515 -1.017 -10.820 1.00 15.41 N ATOM 1398 CA TYR A 85 -17.823 -2.440 -10.739 1.00 2.42 C ATOM 1399 C TYR A 85 -18.077 -2.861 -9.295 1.00 3.34 C ATOM 1400 O TYR A 85 -18.723 -2.143 -8.532 1.00 51.45 O ATOM 1401 CB TYR A 85 -16.678 -3.265 -11.328 1.00 44.55 C ATOM 1402 CG TYR A 85 -16.103 -2.681 -12.599 1.00 41.04 C ATOM 1403 CD1 TYR A 85 -16.890 -2.528 -13.735 1.00 24.24 C ATOM 1404 CD2 TYR A 85 -14.773 -2.283 -12.666 1.00 33.33 C ATOM 1405 CE1 TYR A 85 -16.369 -1.996 -14.898 1.00 61.23 C ATOM 1406 CE2 TYR A 85 -14.244 -1.749 -13.825 1.00 15.04 C ATOM 1407 CZ TYR A 85 -15.046 -1.608 -14.938 1.00 50.42 C ATOM 1408 OH TYR A 85 -14.523 -1.077 -16.095 1.00 24.10 O ATOM 0 H TYR A 85 -18.241 -0.453 -11.262 1.00 15.41 H new ATOM 0 HA TYR A 85 -18.729 -2.623 -11.317 1.00 2.42 H new ATOM 0 HB2 TYR A 85 -15.884 -3.351 -10.586 1.00 44.55 H new ATOM 0 HB3 TYR A 85 -17.036 -4.274 -11.531 1.00 44.55 H new ATOM 0 HD1 TYR A 85 -17.926 -2.830 -13.707 1.00 24.24 H new ATOM 0 HD2 TYR A 85 -14.142 -2.393 -11.797 1.00 33.33 H new ATOM 0 HE1 TYR A 85 -16.994 -1.884 -15.772 1.00 61.23 H new ATOM 0 HE2 TYR A 85 -13.209 -1.444 -13.859 1.00 15.04 H new ATOM 0 HH TYR A 85 -13.579 -0.855 -15.955 1.00 24.10 H new ATOM 1418 N GLN A 86 -17.562 -4.030 -8.927 1.00 0.42 N ATOM 1419 CA GLN A 86 -17.733 -4.547 -7.574 1.00 65.13 C ATOM 1420 C GLN A 86 -17.333 -3.503 -6.537 1.00 40.43 C ATOM 1421 O GLN A 86 -17.916 -3.434 -5.456 1.00 31.42 O ATOM 1422 CB GLN A 86 -16.901 -5.817 -7.383 1.00 14.01 C ATOM 1423 CG GLN A 86 -15.402 -5.569 -7.390 1.00 64.34 C ATOM 1424 CD GLN A 86 -14.602 -6.837 -7.618 1.00 41.15 C ATOM 1425 OE1 GLN A 86 -14.402 -7.262 -8.757 1.00 20.13 O ATOM 1426 NE2 GLN A 86 -14.139 -7.448 -6.534 1.00 71.34 N ATOM 0 H GLN A 86 -17.024 -4.636 -9.546 1.00 0.42 H new ATOM 0 HA GLN A 86 -18.787 -4.786 -7.434 1.00 65.13 H new ATOM 0 HB2 GLN A 86 -17.179 -6.285 -6.439 1.00 14.01 H new ATOM 0 HB3 GLN A 86 -17.147 -6.525 -8.174 1.00 14.01 H new ATOM 0 HG2 GLN A 86 -15.161 -4.846 -8.170 1.00 64.34 H new ATOM 0 HG3 GLN A 86 -15.107 -5.123 -6.440 1.00 64.34 H new ATOM 0 HE21 GLN A 86 -14.329 -7.060 -5.610 1.00 71.34 H new ATOM 0 HE22 GLN A 86 -13.593 -8.305 -6.625 1.00 71.34 H new ATOM 1435 N GLN A 87 -16.335 -2.692 -6.875 1.00 54.12 N ATOM 1436 CA GLN A 87 -15.858 -1.652 -5.972 1.00 2.40 C ATOM 1437 C GLN A 87 -16.986 -0.698 -5.595 1.00 54.42 C ATOM 1438 O GLN A 87 -16.962 -0.080 -4.530 1.00 31.34 O ATOM 1439 CB GLN A 87 -14.710 -0.873 -6.618 1.00 33.30 C ATOM 1440 CG GLN A 87 -13.496 -1.731 -6.935 1.00 70.01 C ATOM 1441 CD GLN A 87 -12.188 -1.002 -6.697 1.00 33.12 C ATOM 1442 OE1 GLN A 87 -11.913 0.024 -7.320 1.00 74.41 O ATOM 1443 NE2 GLN A 87 -11.373 -1.529 -5.791 1.00 32.04 N ATOM 0 H GLN A 87 -15.842 -2.736 -7.767 1.00 54.12 H new ATOM 0 HA GLN A 87 -15.496 -2.134 -5.064 1.00 2.40 H new ATOM 0 HB2 GLN A 87 -15.068 -0.411 -7.538 1.00 33.30 H new ATOM 0 HB3 GLN A 87 -14.409 -0.065 -5.951 1.00 33.30 H new ATOM 0 HG2 GLN A 87 -13.522 -2.632 -6.322 1.00 70.01 H new ATOM 0 HG3 GLN A 87 -13.544 -2.052 -7.975 1.00 70.01 H new ATOM 0 HE21 GLN A 87 -11.641 -2.381 -5.298 1.00 32.04 H new ATOM 0 HE22 GLN A 87 -10.479 -1.082 -5.588 1.00 32.04 H new ATOM 1452 N LEU A 88 -17.974 -0.581 -6.476 1.00 13.23 N ATOM 1453 CA LEU A 88 -19.113 0.299 -6.236 1.00 20.11 C ATOM 1454 C LEU A 88 -19.763 -0.006 -4.890 1.00 23.01 C ATOM 1455 O LEU A 88 -20.348 0.874 -4.260 1.00 35.42 O ATOM 1456 CB LEU A 88 -20.143 0.150 -7.357 1.00 45.34 C ATOM 1457 CG LEU A 88 -21.155 -0.984 -7.193 1.00 50.31 C ATOM 1458 CD1 LEU A 88 -22.384 -0.497 -6.441 1.00 72.15 C ATOM 1459 CD2 LEU A 88 -21.547 -1.550 -8.550 1.00 42.43 C ATOM 0 H LEU A 88 -18.009 -1.084 -7.363 1.00 13.23 H new ATOM 0 HA LEU A 88 -18.749 1.326 -6.219 1.00 20.11 H new ATOM 0 HB2 LEU A 88 -20.690 1.088 -7.447 1.00 45.34 H new ATOM 0 HB3 LEU A 88 -19.610 0.001 -8.296 1.00 45.34 H new ATOM 0 HG LEU A 88 -20.690 -1.780 -6.611 1.00 50.31 H new ATOM 0 HD11 LEU A 88 -23.094 -1.317 -6.334 1.00 72.15 H new ATOM 0 HD12 LEU A 88 -22.089 -0.141 -5.454 1.00 72.15 H new ATOM 0 HD13 LEU A 88 -22.851 0.317 -6.996 1.00 72.15 H new ATOM 0 HD21 LEU A 88 -22.268 -2.356 -8.414 1.00 42.43 H new ATOM 0 HD22 LEU A 88 -21.994 -0.763 -9.157 1.00 42.43 H new ATOM 0 HD23 LEU A 88 -20.661 -1.937 -9.053 1.00 42.43 H new ATOM 1471 N GLU A 89 -19.653 -1.258 -4.455 1.00 45.44 N ATOM 1472 CA GLU A 89 -20.229 -1.677 -3.183 1.00 65.22 C ATOM 1473 C GLU A 89 -19.494 -1.029 -2.013 1.00 64.42 C ATOM 1474 O GLU A 89 -20.114 -0.569 -1.055 1.00 31.22 O ATOM 1475 CB GLU A 89 -20.176 -3.201 -3.052 1.00 50.21 C ATOM 1476 CG GLU A 89 -20.941 -3.735 -1.853 1.00 71.20 C ATOM 1477 CD GLU A 89 -20.846 -5.243 -1.725 1.00 74.25 C ATOM 1478 OE1 GLU A 89 -19.762 -5.741 -1.359 1.00 64.33 O ATOM 1479 OE2 GLU A 89 -21.858 -5.925 -1.992 1.00 33.21 O ATOM 0 H GLU A 89 -19.171 -1.998 -4.964 1.00 45.44 H new ATOM 0 HA GLU A 89 -21.270 -1.353 -3.160 1.00 65.22 H new ATOM 0 HB2 GLU A 89 -20.580 -3.650 -3.959 1.00 50.21 H new ATOM 0 HB3 GLU A 89 -19.135 -3.515 -2.977 1.00 50.21 H new ATOM 0 HG2 GLU A 89 -20.555 -3.272 -0.945 1.00 71.20 H new ATOM 0 HG3 GLU A 89 -21.989 -3.447 -1.937 1.00 71.20 H new ATOM 1486 N SER A 90 -18.168 -0.998 -2.099 1.00 64.31 N ATOM 1487 CA SER A 90 -17.347 -0.411 -1.046 1.00 61.43 C ATOM 1488 C SER A 90 -17.542 1.101 -0.985 1.00 65.40 C ATOM 1489 O SER A 90 -17.660 1.679 0.096 1.00 73.43 O ATOM 1490 CB SER A 90 -15.871 -0.738 -1.280 1.00 4.15 C ATOM 1491 OG SER A 90 -15.665 -1.271 -2.576 1.00 42.24 O ATOM 0 H SER A 90 -17.639 -1.372 -2.887 1.00 64.31 H new ATOM 0 HA SER A 90 -17.660 -0.839 -0.093 1.00 61.43 H new ATOM 0 HB2 SER A 90 -15.272 0.164 -1.155 1.00 4.15 H new ATOM 0 HB3 SER A 90 -15.531 -1.453 -0.531 1.00 4.15 H new ATOM 0 HG SER A 90 -16.002 -0.640 -3.246 1.00 42.24 H new ATOM 1497 N ILE A 91 -17.573 1.734 -2.152 1.00 50.44 N ATOM 1498 CA ILE A 91 -17.754 3.178 -2.232 1.00 52.54 C ATOM 1499 C ILE A 91 -19.141 3.586 -1.746 1.00 42.33 C ATOM 1500 O ILE A 91 -19.293 4.576 -1.030 1.00 3.12 O ATOM 1501 CB ILE A 91 -17.555 3.692 -3.671 1.00 11.14 C ATOM 1502 CG1 ILE A 91 -16.239 3.165 -4.246 1.00 2.11 C ATOM 1503 CG2 ILE A 91 -17.580 5.213 -3.698 1.00 73.01 C ATOM 1504 CD1 ILE A 91 -15.018 3.617 -3.475 1.00 55.41 C ATOM 0 H ILE A 91 -17.475 1.270 -3.055 1.00 50.44 H new ATOM 0 HA ILE A 91 -16.999 3.627 -1.587 1.00 52.54 H new ATOM 0 HB ILE A 91 -18.373 3.324 -4.290 1.00 11.14 H new ATOM 0 HG12 ILE A 91 -16.268 2.075 -4.258 1.00 2.11 H new ATOM 0 HG13 ILE A 91 -16.147 3.493 -5.281 1.00 2.11 H new ATOM 0 HG21 ILE A 91 -17.438 5.561 -4.721 1.00 73.01 H new ATOM 0 HG22 ILE A 91 -18.540 5.568 -3.324 1.00 73.01 H new ATOM 0 HG23 ILE A 91 -16.779 5.601 -3.068 1.00 73.01 H new ATOM 0 HD11 ILE A 91 -14.122 3.206 -3.939 1.00 55.41 H new ATOM 0 HD12 ILE A 91 -14.964 4.706 -3.484 1.00 55.41 H new ATOM 0 HD13 ILE A 91 -15.087 3.266 -2.445 1.00 55.41 H new ATOM 1516 N TYR A 92 -20.149 2.816 -2.139 1.00 54.31 N ATOM 1517 CA TYR A 92 -21.524 3.097 -1.744 1.00 55.41 C ATOM 1518 C TYR A 92 -21.708 2.913 -0.241 1.00 31.52 C ATOM 1519 O TYR A 92 -22.405 3.690 0.412 1.00 45.33 O ATOM 1520 CB TYR A 92 -22.491 2.187 -2.503 1.00 15.10 C ATOM 1521 CG TYR A 92 -23.947 2.462 -2.199 1.00 42.42 C ATOM 1522 CD1 TYR A 92 -24.621 3.507 -2.819 1.00 71.15 C ATOM 1523 CD2 TYR A 92 -24.648 1.677 -1.292 1.00 40.13 C ATOM 1524 CE1 TYR A 92 -25.950 3.762 -2.544 1.00 54.42 C ATOM 1525 CE2 TYR A 92 -25.978 1.924 -1.012 1.00 0.30 C ATOM 1526 CZ TYR A 92 -26.625 2.968 -1.640 1.00 44.31 C ATOM 1527 OH TYR A 92 -27.949 3.219 -1.364 1.00 73.32 O ATOM 0 H TYR A 92 -20.040 1.992 -2.731 1.00 54.31 H new ATOM 0 HA TYR A 92 -21.742 4.136 -1.993 1.00 55.41 H new ATOM 0 HB2 TYR A 92 -22.323 2.305 -3.574 1.00 15.10 H new ATOM 0 HB3 TYR A 92 -22.267 1.149 -2.258 1.00 15.10 H new ATOM 0 HD1 TYR A 92 -24.097 4.130 -3.528 1.00 71.15 H new ATOM 0 HD2 TYR A 92 -24.144 0.860 -0.797 1.00 40.13 H new ATOM 0 HE1 TYR A 92 -26.459 4.579 -3.034 1.00 54.42 H new ATOM 0 HE2 TYR A 92 -26.508 1.303 -0.305 1.00 0.30 H new ATOM 0 HH TYR A 92 -28.275 2.569 -0.708 1.00 73.32 H new ATOM 1537 N PHE A 93 -21.077 1.877 0.303 1.00 73.24 N ATOM 1538 CA PHE A 93 -21.170 1.588 1.729 1.00 71.20 C ATOM 1539 C PHE A 93 -20.518 2.695 2.552 1.00 64.22 C ATOM 1540 O PHE A 93 -21.117 3.221 3.490 1.00 24.41 O ATOM 1541 CB PHE A 93 -20.507 0.245 2.043 1.00 11.11 C ATOM 1542 CG PHE A 93 -20.795 -0.256 3.429 1.00 35.13 C ATOM 1543 CD1 PHE A 93 -21.997 -0.883 3.717 1.00 21.44 C ATOM 1544 CD2 PHE A 93 -19.865 -0.101 4.444 1.00 10.40 C ATOM 1545 CE1 PHE A 93 -22.265 -1.345 4.992 1.00 0.34 C ATOM 1546 CE2 PHE A 93 -20.127 -0.560 5.721 1.00 73.31 C ATOM 1547 CZ PHE A 93 -21.329 -1.184 5.995 1.00 64.10 C ATOM 0 H PHE A 93 -20.496 1.224 -0.223 1.00 73.24 H new ATOM 0 HA PHE A 93 -22.226 1.535 1.996 1.00 71.20 H new ATOM 0 HB2 PHE A 93 -20.846 -0.496 1.320 1.00 11.11 H new ATOM 0 HB3 PHE A 93 -19.429 0.343 1.917 1.00 11.11 H new ATOM 0 HD1 PHE A 93 -22.732 -1.012 2.937 1.00 21.44 H new ATOM 0 HD2 PHE A 93 -18.923 0.385 4.235 1.00 10.40 H new ATOM 0 HE1 PHE A 93 -23.206 -1.832 5.204 1.00 0.34 H new ATOM 0 HE2 PHE A 93 -19.394 -0.431 6.503 1.00 73.31 H new ATOM 0 HZ PHE A 93 -21.536 -1.545 6.991 1.00 64.10 H new ATOM 1557 N ARG A 94 -19.286 3.043 2.193 1.00 31.22 N ATOM 1558 CA ARG A 94 -18.551 4.085 2.899 1.00 42.53 C ATOM 1559 C ARG A 94 -19.246 5.436 2.750 1.00 24.14 C ATOM 1560 O ARG A 94 -19.204 6.269 3.656 1.00 0.02 O ATOM 1561 CB ARG A 94 -17.118 4.176 2.370 1.00 54.15 C ATOM 1562 CG ARG A 94 -16.134 3.296 3.122 1.00 32.51 C ATOM 1563 CD ARG A 94 -15.707 2.098 2.288 1.00 75.13 C ATOM 1564 NE ARG A 94 -16.550 0.931 2.535 1.00 64.42 N ATOM 1565 CZ ARG A 94 -16.179 -0.315 2.259 1.00 42.30 C ATOM 1566 NH1 ARG A 94 -14.987 -0.553 1.730 1.00 23.31 N ATOM 1567 NH2 ARG A 94 -17.001 -1.325 2.513 1.00 52.33 N ATOM 0 H ARG A 94 -18.777 2.619 1.418 1.00 31.22 H new ATOM 0 HA ARG A 94 -18.525 3.823 3.957 1.00 42.53 H new ATOM 0 HB2 ARG A 94 -17.110 3.897 1.316 1.00 54.15 H new ATOM 0 HB3 ARG A 94 -16.784 5.212 2.428 1.00 54.15 H new ATOM 0 HG2 ARG A 94 -15.256 3.881 3.396 1.00 32.51 H new ATOM 0 HG3 ARG A 94 -16.589 2.951 4.050 1.00 32.51 H new ATOM 0 HD2 ARG A 94 -15.750 2.359 1.231 1.00 75.13 H new ATOM 0 HD3 ARG A 94 -14.670 1.850 2.514 1.00 75.13 H new ATOM 0 HE ARG A 94 -17.474 1.080 2.941 1.00 64.42 H new ATOM 0 HH11 ARG A 94 -14.352 0.221 1.534 1.00 23.31 H new ATOM 0 HH12 ARG A 94 -14.705 -1.510 1.519 1.00 23.31 H new ATOM 0 HH21 ARG A 94 -17.919 -1.146 2.920 1.00 52.33 H new ATOM 0 HH22 ARG A 94 -16.715 -2.281 2.301 1.00 52.33 H new ATOM 1581 N ILE A 95 -19.883 5.645 1.603 1.00 24.23 N ATOM 1582 CA ILE A 95 -20.586 6.893 1.337 1.00 14.32 C ATOM 1583 C ILE A 95 -21.938 6.924 2.043 1.00 22.30 C ATOM 1584 O ILE A 95 -22.467 7.993 2.349 1.00 41.21 O ATOM 1585 CB ILE A 95 -20.803 7.106 -0.173 1.00 15.55 C ATOM 1586 CG1 ILE A 95 -19.478 7.446 -0.858 1.00 31.34 C ATOM 1587 CG2 ILE A 95 -21.826 8.208 -0.410 1.00 60.33 C ATOM 1588 CD1 ILE A 95 -19.539 7.363 -2.367 1.00 14.23 C ATOM 0 H ILE A 95 -19.927 4.966 0.843 1.00 24.23 H new ATOM 0 HA ILE A 95 -19.959 7.697 1.723 1.00 14.32 H new ATOM 0 HB ILE A 95 -21.186 6.181 -0.604 1.00 15.55 H new ATOM 0 HG12 ILE A 95 -19.177 8.453 -0.570 1.00 31.34 H new ATOM 0 HG13 ILE A 95 -18.706 6.767 -0.496 1.00 31.34 H new ATOM 0 HG21 ILE A 95 -21.969 8.347 -1.482 1.00 60.33 H new ATOM 0 HG22 ILE A 95 -22.774 7.929 0.049 1.00 60.33 H new ATOM 0 HG23 ILE A 95 -21.468 9.138 0.032 1.00 60.33 H new ATOM 0 HD11 ILE A 95 -18.565 7.617 -2.785 1.00 14.23 H new ATOM 0 HD12 ILE A 95 -19.809 6.350 -2.665 1.00 14.23 H new ATOM 0 HD13 ILE A 95 -20.287 8.062 -2.740 1.00 14.23 H new ATOM 1600 N LEU A 96 -22.491 5.744 2.301 1.00 70.23 N ATOM 1601 CA LEU A 96 -23.781 5.634 2.973 1.00 0.11 C ATOM 1602 C LEU A 96 -23.607 5.638 4.488 1.00 13.14 C ATOM 1603 O LEU A 96 -24.559 5.877 5.233 1.00 73.23 O ATOM 1604 CB LEU A 96 -24.500 4.357 2.534 1.00 12.41 C ATOM 1605 CG LEU A 96 -25.947 4.206 3.005 1.00 10.21 C ATOM 1606 CD1 LEU A 96 -26.802 5.349 2.479 1.00 3.03 C ATOM 1607 CD2 LEU A 96 -26.515 2.866 2.562 1.00 22.32 C ATOM 0 H LEU A 96 -22.066 4.850 2.055 1.00 70.23 H new ATOM 0 HA LEU A 96 -24.384 6.498 2.692 1.00 0.11 H new ATOM 0 HB2 LEU A 96 -24.487 4.313 1.445 1.00 12.41 H new ATOM 0 HB3 LEU A 96 -23.930 3.501 2.895 1.00 12.41 H new ATOM 0 HG LEU A 96 -25.960 4.241 4.094 1.00 10.21 H new ATOM 0 HD11 LEU A 96 -27.828 5.224 2.824 1.00 3.03 H new ATOM 0 HD12 LEU A 96 -26.408 6.297 2.846 1.00 3.03 H new ATOM 0 HD13 LEU A 96 -26.783 5.346 1.389 1.00 3.03 H new ATOM 0 HD21 LEU A 96 -27.545 2.776 2.906 1.00 22.32 H new ATOM 0 HD22 LEU A 96 -26.489 2.801 1.474 1.00 22.32 H new ATOM 0 HD23 LEU A 96 -25.919 2.059 2.988 1.00 22.32 H new ATOM 1619 N LEU A 97 -22.386 5.374 4.939 1.00 1.43 N ATOM 1620 CA LEU A 97 -22.086 5.350 6.367 1.00 61.33 C ATOM 1621 C LEU A 97 -22.741 6.528 7.081 1.00 22.42 C ATOM 1622 O LEU A 97 -22.962 7.592 6.502 1.00 23.53 O ATOM 1623 CB LEU A 97 -20.573 5.380 6.591 1.00 70.14 C ATOM 1624 CG LEU A 97 -19.948 4.091 7.125 1.00 63.23 C ATOM 1625 CD1 LEU A 97 -20.289 2.917 6.219 1.00 3.34 C ATOM 1626 CD2 LEU A 97 -18.440 4.244 7.257 1.00 45.44 C ATOM 0 H LEU A 97 -21.587 5.173 4.337 1.00 1.43 H new ATOM 0 HA LEU A 97 -22.490 4.427 6.783 1.00 61.33 H new ATOM 0 HB2 LEU A 97 -20.091 5.629 5.646 1.00 70.14 H new ATOM 0 HB3 LEU A 97 -20.345 6.187 7.288 1.00 70.14 H new ATOM 0 HG LEU A 97 -20.361 3.893 8.114 1.00 63.23 H new ATOM 0 HD11 LEU A 97 -19.836 2.008 6.615 1.00 3.34 H new ATOM 0 HD12 LEU A 97 -21.371 2.793 6.175 1.00 3.34 H new ATOM 0 HD13 LEU A 97 -19.905 3.107 5.217 1.00 3.34 H new ATOM 0 HD21 LEU A 97 -18.012 3.317 7.638 1.00 45.44 H new ATOM 0 HD22 LEU A 97 -18.010 4.467 6.281 1.00 45.44 H new ATOM 0 HD23 LEU A 97 -18.216 5.058 7.947 1.00 45.44 H new ATOM 1638 N PRO A 98 -23.057 6.336 8.370 1.00 14.24 N ATOM 1639 CA PRO A 98 -23.689 7.373 9.193 1.00 62.52 C ATOM 1640 C PRO A 98 -22.742 8.529 9.495 1.00 12.14 C ATOM 1641 O PRO A 98 -23.153 9.689 9.522 1.00 40.53 O ATOM 1642 CB PRO A 98 -24.054 6.630 10.480 1.00 34.23 C ATOM 1643 CG PRO A 98 -23.092 5.494 10.549 1.00 55.32 C ATOM 1644 CD PRO A 98 -22.823 5.093 9.125 1.00 41.52 C ATOM 0 HA PRO A 98 -24.543 7.829 8.691 1.00 62.52 H new ATOM 0 HB2 PRO A 98 -23.963 7.279 11.351 1.00 34.23 H new ATOM 0 HB3 PRO A 98 -25.084 6.275 10.453 1.00 34.23 H new ATOM 0 HG2 PRO A 98 -22.172 5.792 11.051 1.00 55.32 H new ATOM 0 HG3 PRO A 98 -23.510 4.662 11.116 1.00 55.32 H new ATOM 0 HD2 PRO A 98 -21.803 4.730 8.996 1.00 41.52 H new ATOM 0 HD3 PRO A 98 -23.489 4.294 8.800 1.00 41.52 H new ATOM 1652 N TYR A 99 -21.474 8.205 9.723 1.00 52.42 N ATOM 1653 CA TYR A 99 -20.470 9.218 10.026 1.00 65.24 C ATOM 1654 C TYR A 99 -20.171 10.074 8.798 1.00 34.33 C ATOM 1655 O TYR A 99 -20.086 11.298 8.889 1.00 64.24 O ATOM 1656 CB TYR A 99 -19.184 8.557 10.525 1.00 65.12 C ATOM 1657 CG TYR A 99 -19.393 7.647 11.714 1.00 63.31 C ATOM 1658 CD1 TYR A 99 -19.368 8.148 13.010 1.00 72.32 C ATOM 1659 CD2 TYR A 99 -19.614 6.286 11.542 1.00 62.11 C ATOM 1660 CE1 TYR A 99 -19.558 7.320 14.099 1.00 31.23 C ATOM 1661 CE2 TYR A 99 -19.806 5.451 12.625 1.00 31.14 C ATOM 1662 CZ TYR A 99 -19.777 5.972 13.902 1.00 12.40 C ATOM 1663 OH TYR A 99 -19.967 5.144 14.984 1.00 21.30 O ATOM 0 H TYR A 99 -21.117 7.250 9.704 1.00 52.42 H new ATOM 0 HA TYR A 99 -20.867 9.864 10.809 1.00 65.24 H new ATOM 0 HB2 TYR A 99 -18.742 7.982 9.711 1.00 65.12 H new ATOM 0 HB3 TYR A 99 -18.467 9.333 10.794 1.00 65.12 H new ATOM 0 HD1 TYR A 99 -19.197 9.203 13.168 1.00 72.32 H new ATOM 0 HD2 TYR A 99 -19.636 5.874 10.544 1.00 62.11 H new ATOM 0 HE1 TYR A 99 -19.535 7.726 15.100 1.00 31.23 H new ATOM 0 HE2 TYR A 99 -19.978 4.396 12.473 1.00 31.14 H new ATOM 0 HH TYR A 99 -20.109 4.226 14.672 1.00 21.30 H new ATOM 1673 N GLU A 100 -20.015 9.419 7.652 1.00 74.20 N ATOM 1674 CA GLU A 100 -19.727 10.119 6.406 1.00 2.31 C ATOM 1675 C GLU A 100 -20.902 11.000 5.992 1.00 12.23 C ATOM 1676 O GLU A 100 -20.726 12.172 5.658 1.00 30.12 O ATOM 1677 CB GLU A 100 -19.409 9.118 5.294 1.00 75.23 C ATOM 1678 CG GLU A 100 -18.814 9.757 4.050 1.00 14.34 C ATOM 1679 CD GLU A 100 -19.844 10.512 3.233 1.00 54.41 C ATOM 1680 OE1 GLU A 100 -20.966 9.991 3.063 1.00 13.24 O ATOM 1681 OE2 GLU A 100 -19.528 11.625 2.763 1.00 43.33 O ATOM 0 H GLU A 100 -20.083 8.405 7.561 1.00 74.20 H new ATOM 0 HA GLU A 100 -18.858 10.756 6.570 1.00 2.31 H new ATOM 0 HB2 GLU A 100 -18.713 8.372 5.677 1.00 75.23 H new ATOM 0 HB3 GLU A 100 -20.323 8.591 5.020 1.00 75.23 H new ATOM 0 HG2 GLU A 100 -18.016 10.440 4.343 1.00 14.34 H new ATOM 0 HG3 GLU A 100 -18.360 8.984 3.430 1.00 14.34 H new ATOM 1688 N ARG A 101 -22.101 10.427 6.017 1.00 60.13 N ATOM 1689 CA ARG A 101 -23.305 11.158 5.643 1.00 54.34 C ATOM 1690 C ARG A 101 -23.565 12.309 6.610 1.00 0.31 C ATOM 1691 O ARG A 101 -24.043 13.372 6.213 1.00 50.41 O ATOM 1692 CB ARG A 101 -24.512 10.218 5.617 1.00 64.22 C ATOM 1693 CG ARG A 101 -24.968 9.775 6.997 1.00 13.13 C ATOM 1694 CD ARG A 101 -26.140 8.810 6.913 1.00 31.53 C ATOM 1695 NE ARG A 101 -27.126 9.053 7.962 1.00 14.24 N ATOM 1696 CZ ARG A 101 -28.139 8.234 8.224 1.00 25.33 C ATOM 1697 NH1 ARG A 101 -28.297 7.123 7.517 1.00 4.15 N ATOM 1698 NH2 ARG A 101 -28.995 8.524 9.195 1.00 1.24 N ATOM 0 H ARG A 101 -22.264 9.459 6.292 1.00 60.13 H new ATOM 0 HA ARG A 101 -23.153 11.571 4.646 1.00 54.34 H new ATOM 0 HB2 ARG A 101 -25.340 10.717 5.113 1.00 64.22 H new ATOM 0 HB3 ARG A 101 -24.263 9.337 5.026 1.00 64.22 H new ATOM 0 HG2 ARG A 101 -24.139 9.298 7.520 1.00 13.13 H new ATOM 0 HG3 ARG A 101 -25.255 10.647 7.584 1.00 13.13 H new ATOM 0 HD2 ARG A 101 -26.618 8.904 5.938 1.00 31.53 H new ATOM 0 HD3 ARG A 101 -25.773 7.787 6.991 1.00 31.53 H new ATOM 0 HE ARG A 101 -27.032 9.898 8.525 1.00 14.24 H new ATOM 0 HH11 ARG A 101 -27.640 6.896 6.770 1.00 4.15 H new ATOM 0 HH12 ARG A 101 -29.075 6.496 7.720 1.00 4.15 H new ATOM 0 HH21 ARG A 101 -28.876 9.377 9.742 1.00 1.24 H new ATOM 0 HH22 ARG A 101 -29.772 7.894 9.395 1.00 1.24 H new ATOM 1712 N HIS A 102 -23.247 12.090 7.882 1.00 31.31 N ATOM 1713 CA HIS A 102 -23.446 13.109 8.907 1.00 61.53 C ATOM 1714 C HIS A 102 -22.509 14.292 8.685 1.00 53.34 C ATOM 1715 O HIS A 102 -22.930 15.447 8.739 1.00 52.51 O ATOM 1716 CB HIS A 102 -23.216 12.515 10.297 1.00 11.30 C ATOM 1717 CG HIS A 102 -24.441 11.891 10.892 1.00 41.31 C ATOM 1718 ND1 HIS A 102 -24.391 10.877 11.825 1.00 74.04 N ATOM 1719 CD2 HIS A 102 -25.754 12.145 10.683 1.00 30.31 C ATOM 1720 CE1 HIS A 102 -25.621 10.532 12.163 1.00 51.25 C ATOM 1721 NE2 HIS A 102 -26.467 11.287 11.484 1.00 23.23 N ATOM 0 H HIS A 102 -22.850 11.216 8.228 1.00 31.31 H new ATOM 0 HA HIS A 102 -24.474 13.464 8.837 1.00 61.53 H new ATOM 0 HB2 HIS A 102 -22.429 11.764 10.236 1.00 11.30 H new ATOM 0 HB3 HIS A 102 -22.858 13.299 10.964 1.00 11.30 H new ATOM 0 HD2 HIS A 102 -26.164 12.885 10.011 1.00 30.31 H new ATOM 0 HE1 HIS A 102 -25.889 9.764 12.873 1.00 51.25 H new ATOM 0 HE2 HIS A 102 -27.484 11.240 11.545 1.00 23.23 H new ATOM 1729 N MET A 103 -21.238 13.996 8.435 1.00 0.13 N ATOM 1730 CA MET A 103 -20.242 15.037 8.205 1.00 74.53 C ATOM 1731 C MET A 103 -20.630 15.905 7.012 1.00 1.12 C ATOM 1732 O MET A 103 -20.534 17.131 7.069 1.00 54.50 O ATOM 1733 CB MET A 103 -18.866 14.412 7.970 1.00 62.24 C ATOM 1734 CG MET A 103 -17.986 14.397 9.209 1.00 64.41 C ATOM 1735 SD MET A 103 -18.743 13.515 10.588 1.00 43.43 S ATOM 1736 CE MET A 103 -17.941 14.309 11.978 1.00 4.54 C ATOM 0 H MET A 103 -20.873 13.045 8.386 1.00 0.13 H new ATOM 0 HA MET A 103 -20.199 15.668 9.093 1.00 74.53 H new ATOM 0 HB2 MET A 103 -18.996 13.390 7.614 1.00 62.24 H new ATOM 0 HB3 MET A 103 -18.356 14.962 7.179 1.00 62.24 H new ATOM 0 HG2 MET A 103 -17.031 13.932 8.966 1.00 64.41 H new ATOM 0 HG3 MET A 103 -17.773 15.422 9.511 1.00 64.41 H new ATOM 0 HE1 MET A 103 -18.306 13.871 12.907 1.00 4.54 H new ATOM 0 HE2 MET A 103 -16.863 14.164 11.907 1.00 4.54 H new ATOM 0 HE3 MET A 103 -18.166 15.376 11.967 1.00 4.54 H new ATOM 1746 N ILE A 104 -21.066 15.262 5.935 1.00 55.04 N ATOM 1747 CA ILE A 104 -21.469 15.977 4.730 1.00 63.13 C ATOM 1748 C ILE A 104 -22.841 16.618 4.903 1.00 13.24 C ATOM 1749 O ILE A 104 -23.170 17.597 4.233 1.00 62.10 O ATOM 1750 CB ILE A 104 -21.502 15.043 3.506 1.00 73.24 C ATOM 1751 CG1 ILE A 104 -22.573 13.965 3.689 1.00 64.24 C ATOM 1752 CG2 ILE A 104 -20.137 14.409 3.285 1.00 2.14 C ATOM 1753 CD1 ILE A 104 -22.673 13.009 2.521 1.00 73.15 C ATOM 0 H ILE A 104 -21.149 14.247 5.872 1.00 55.04 H new ATOM 0 HA ILE A 104 -20.726 16.756 4.563 1.00 63.13 H new ATOM 0 HB ILE A 104 -21.753 15.633 2.624 1.00 73.24 H new ATOM 0 HG12 ILE A 104 -22.356 13.398 4.594 1.00 64.24 H new ATOM 0 HG13 ILE A 104 -23.540 14.446 3.838 1.00 64.24 H new ATOM 0 HG21 ILE A 104 -20.177 13.752 2.416 1.00 2.14 H new ATOM 0 HG22 ILE A 104 -19.396 15.190 3.115 1.00 2.14 H new ATOM 0 HG23 ILE A 104 -19.858 13.830 4.165 1.00 2.14 H new ATOM 0 HD11 ILE A 104 -23.452 12.272 2.719 1.00 73.15 H new ATOM 0 HD12 ILE A 104 -22.921 13.564 1.616 1.00 73.15 H new ATOM 0 HD13 ILE A 104 -21.719 12.500 2.384 1.00 73.15 H new ATOM 1765 N SER A 105 -23.639 16.061 5.809 1.00 25.12 N ATOM 1766 CA SER A 105 -24.977 16.577 6.070 1.00 11.14 C ATOM 1767 C SER A 105 -24.914 18.008 6.596 1.00 55.02 C ATOM 1768 O SER A 105 -25.845 18.791 6.406 1.00 32.44 O ATOM 1769 CB SER A 105 -25.704 15.683 7.077 1.00 2.43 C ATOM 1770 OG SER A 105 -26.483 16.455 7.975 1.00 42.12 O ATOM 0 H SER A 105 -23.381 15.252 6.374 1.00 25.12 H new ATOM 0 HA SER A 105 -25.529 16.577 5.130 1.00 11.14 H new ATOM 0 HB2 SER A 105 -26.345 14.979 6.547 1.00 2.43 H new ATOM 0 HB3 SER A 105 -24.977 15.093 7.636 1.00 2.43 H new ATOM 0 HG SER A 105 -26.939 15.861 8.607 1.00 42.12 H new ATOM 1776 N GLN A 106 -23.810 18.341 7.256 1.00 15.44 N ATOM 1777 CA GLN A 106 -23.626 19.678 7.810 1.00 32.41 C ATOM 1778 C GLN A 106 -23.786 20.742 6.729 1.00 24.41 C ATOM 1779 O GLN A 106 -24.330 21.816 6.979 1.00 4.51 O ATOM 1780 CB GLN A 106 -22.247 19.797 8.461 1.00 50.32 C ATOM 1781 CG GLN A 106 -22.297 20.232 9.917 1.00 62.14 C ATOM 1782 CD GLN A 106 -22.932 21.596 10.097 1.00 52.41 C ATOM 1783 OE1 GLN A 106 -22.635 22.535 9.357 1.00 32.02 O ATOM 1784 NE2 GLN A 106 -23.813 21.714 11.084 1.00 63.01 N ATOM 0 H GLN A 106 -23.030 17.705 7.420 1.00 15.44 H new ATOM 0 HA GLN A 106 -24.393 19.839 8.568 1.00 32.41 H new ATOM 0 HB2 GLN A 106 -21.739 18.835 8.395 1.00 50.32 H new ATOM 0 HB3 GLN A 106 -21.649 20.513 7.897 1.00 50.32 H new ATOM 0 HG2 GLN A 106 -22.857 19.496 10.493 1.00 62.14 H new ATOM 0 HG3 GLN A 106 -21.285 20.250 10.322 1.00 62.14 H new ATOM 0 HE21 GLN A 106 -24.030 20.910 11.673 1.00 63.01 H new ATOM 0 HE22 GLN A 106 -24.273 22.609 11.253 1.00 63.01 H new ATOM 1793 N GLU A 107 -23.307 20.434 5.528 1.00 61.14 N ATOM 1794 CA GLU A 107 -23.396 21.365 4.409 1.00 2.32 C ATOM 1795 C GLU A 107 -24.333 20.831 3.330 1.00 41.24 C ATOM 1796 O GLU A 107 -24.268 21.249 2.174 1.00 32.42 O ATOM 1797 CB GLU A 107 -22.008 21.618 3.816 1.00 53.41 C ATOM 1798 CG GLU A 107 -21.846 23.006 3.219 1.00 5.31 C ATOM 1799 CD GLU A 107 -21.456 22.969 1.754 1.00 1.31 C ATOM 1800 OE1 GLU A 107 -22.178 22.327 0.963 1.00 13.44 O ATOM 1801 OE2 GLU A 107 -20.428 23.583 1.399 1.00 62.03 O ATOM 0 H GLU A 107 -22.854 19.548 5.305 1.00 61.14 H new ATOM 0 HA GLU A 107 -23.800 22.306 4.783 1.00 2.32 H new ATOM 0 HB2 GLU A 107 -21.258 21.476 4.594 1.00 53.41 H new ATOM 0 HB3 GLU A 107 -21.811 20.874 3.044 1.00 53.41 H new ATOM 0 HG2 GLU A 107 -22.781 23.556 3.329 1.00 5.31 H new ATOM 0 HG3 GLU A 107 -21.087 23.552 3.779 1.00 5.31 H new ATOM 1808 N GLY A 108 -25.204 19.904 3.716 1.00 70.10 N ATOM 1809 CA GLY A 108 -26.141 19.327 2.770 1.00 35.13 C ATOM 1810 C GLY A 108 -27.195 18.472 3.446 1.00 24.44 C ATOM 1811 O GLY A 108 -27.425 17.329 3.048 1.00 10.34 O ATOM 0 H GLY A 108 -25.278 19.542 4.667 1.00 70.10 H new ATOM 0 HA2 GLY A 108 -26.629 20.127 2.213 1.00 35.13 H new ATOM 0 HA3 GLY A 108 -25.595 18.721 2.046 1.00 35.13 H new ATOM 1815 N ILE A 109 -27.834 19.024 4.472 1.00 61.20 N ATOM 1816 CA ILE A 109 -28.868 18.303 5.205 1.00 45.13 C ATOM 1817 C ILE A 109 -29.983 17.843 4.272 1.00 0.03 C ATOM 1818 O ILE A 109 -30.695 16.882 4.565 1.00 53.34 O ATOM 1819 CB ILE A 109 -29.474 19.171 6.323 1.00 1.20 C ATOM 1820 CG1 ILE A 109 -29.856 20.549 5.778 1.00 12.05 C ATOM 1821 CG2 ILE A 109 -28.494 19.306 7.479 1.00 33.32 C ATOM 1822 CD1 ILE A 109 -31.281 20.949 6.092 1.00 21.32 C ATOM 0 H ILE A 109 -27.654 19.968 4.815 1.00 61.20 H new ATOM 0 HA ILE A 109 -28.389 17.432 5.652 1.00 45.13 H new ATOM 0 HB ILE A 109 -30.376 18.684 6.692 1.00 1.20 H new ATOM 0 HG12 ILE A 109 -29.178 21.295 6.192 1.00 12.05 H new ATOM 0 HG13 ILE A 109 -29.715 20.555 4.697 1.00 12.05 H new ATOM 0 HG21 ILE A 109 -28.937 19.922 8.261 1.00 33.32 H new ATOM 0 HG22 ILE A 109 -28.266 18.318 7.880 1.00 33.32 H new ATOM 0 HG23 ILE A 109 -27.576 19.774 7.125 1.00 33.32 H new ATOM 0 HD11 ILE A 109 -31.482 21.936 5.676 1.00 21.32 H new ATOM 0 HD12 ILE A 109 -31.967 20.224 5.654 1.00 21.32 H new ATOM 0 HD13 ILE A 109 -31.422 20.976 7.173 1.00 21.32 H new ATOM 1834 N LYS A 110 -30.129 18.534 3.147 1.00 45.12 N ATOM 1835 CA LYS A 110 -31.155 18.196 2.168 1.00 21.10 C ATOM 1836 C LYS A 110 -31.000 16.755 1.693 1.00 32.43 C ATOM 1837 O LYS A 110 -31.967 16.127 1.264 1.00 72.53 O ATOM 1838 CB LYS A 110 -31.082 19.148 0.972 1.00 13.54 C ATOM 1839 CG LYS A 110 -32.353 19.952 0.756 1.00 33.55 C ATOM 1840 CD LYS A 110 -32.679 20.816 1.963 1.00 23.32 C ATOM 1841 CE LYS A 110 -32.899 22.267 1.566 1.00 1.31 C ATOM 1842 NZ LYS A 110 -31.670 22.876 0.985 1.00 32.11 N ATOM 0 H LYS A 110 -29.549 19.333 2.890 1.00 45.12 H new ATOM 0 HA LYS A 110 -32.128 18.300 2.649 1.00 21.10 H new ATOM 0 HB2 LYS A 110 -30.248 19.835 1.115 1.00 13.54 H new ATOM 0 HB3 LYS A 110 -30.869 18.571 0.072 1.00 13.54 H new ATOM 0 HG2 LYS A 110 -32.239 20.584 -0.125 1.00 33.55 H new ATOM 0 HG3 LYS A 110 -33.184 19.275 0.557 1.00 33.55 H new ATOM 0 HD2 LYS A 110 -33.573 20.433 2.455 1.00 23.32 H new ATOM 0 HD3 LYS A 110 -31.866 20.755 2.686 1.00 23.32 H new ATOM 0 HE2 LYS A 110 -33.711 22.326 0.841 1.00 1.31 H new ATOM 0 HE3 LYS A 110 -33.210 22.839 2.440 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 -31.698 23.907 1.117 1.00 32.11 H new ATOM 0 HZ2 LYS A 110 -30.831 22.488 1.463 1.00 32.11 H new ATOM 0 HZ3 LYS A 110 -31.621 22.658 -0.031 1.00 32.11 H new ATOM 1856 N GLU A 111 -29.778 16.237 1.775 1.00 14.14 N ATOM 1857 CA GLU A 111 -29.499 14.869 1.354 1.00 11.33 C ATOM 1858 C GLU A 111 -30.019 13.867 2.381 1.00 43.00 C ATOM 1859 O GLU A 111 -30.318 12.719 2.050 1.00 41.22 O ATOM 1860 CB GLU A 111 -27.996 14.672 1.149 1.00 43.34 C ATOM 1861 CG GLU A 111 -27.656 13.584 0.144 1.00 32.01 C ATOM 1862 CD GLU A 111 -26.393 12.828 0.508 1.00 71.12 C ATOM 1863 OE1 GLU A 111 -26.382 12.165 1.566 1.00 64.34 O ATOM 1864 OE2 GLU A 111 -25.416 12.900 -0.267 1.00 22.34 O ATOM 0 H GLU A 111 -28.966 16.744 2.129 1.00 14.14 H new ATOM 0 HA GLU A 111 -30.013 14.695 0.409 1.00 11.33 H new ATOM 0 HB2 GLU A 111 -27.557 15.612 0.816 1.00 43.34 H new ATOM 0 HB3 GLU A 111 -27.536 14.427 2.106 1.00 43.34 H new ATOM 0 HG2 GLU A 111 -28.488 12.883 0.077 1.00 32.01 H new ATOM 0 HG3 GLU A 111 -27.536 14.031 -0.843 1.00 32.01 H new ATOM 1871 N THR A 112 -30.123 14.309 3.631 1.00 53.05 N ATOM 1872 CA THR A 112 -30.604 13.452 4.707 1.00 55.04 C ATOM 1873 C THR A 112 -32.068 13.078 4.499 1.00 3.11 C ATOM 1874 O THR A 112 -32.434 11.905 4.572 1.00 43.41 O ATOM 1875 CB THR A 112 -30.450 14.134 6.079 1.00 33.33 C ATOM 1876 OG1 THR A 112 -29.118 14.636 6.230 1.00 41.32 O ATOM 1877 CG2 THR A 112 -30.760 13.159 7.205 1.00 13.04 C ATOM 0 H THR A 112 -29.880 15.256 3.923 1.00 53.05 H new ATOM 0 HA THR A 112 -29.995 12.548 4.688 1.00 55.04 H new ATOM 0 HB THR A 112 -31.158 14.962 6.130 1.00 33.33 H new ATOM 0 HG1 THR A 112 -29.029 15.070 7.104 1.00 41.32 H new ATOM 0 HG21 THR A 112 -30.645 13.663 8.165 1.00 13.04 H new ATOM 0 HG22 THR A 112 -31.784 12.801 7.104 1.00 13.04 H new ATOM 0 HG23 THR A 112 -30.073 12.314 7.154 1.00 13.04 H new ATOM 1885 N GLN A 113 -32.899 14.082 4.240 1.00 52.10 N ATOM 1886 CA GLN A 113 -34.323 13.857 4.022 1.00 72.01 C ATOM 1887 C GLN A 113 -34.555 13.000 2.782 1.00 73.01 C ATOM 1888 O GLN A 113 -35.597 12.360 2.644 1.00 72.10 O ATOM 1889 CB GLN A 113 -35.056 15.192 3.878 1.00 20.02 C ATOM 1890 CG GLN A 113 -36.518 15.131 4.288 1.00 35.53 C ATOM 1891 CD GLN A 113 -36.699 14.983 5.786 1.00 22.22 C ATOM 1892 OE1 GLN A 113 -36.379 15.891 6.554 1.00 22.42 O ATOM 1893 NE2 GLN A 113 -37.214 13.835 6.210 1.00 30.24 N ATOM 0 H GLN A 113 -32.611 15.058 4.176 1.00 52.10 H new ATOM 0 HA GLN A 113 -34.718 13.326 4.888 1.00 72.01 H new ATOM 0 HB2 GLN A 113 -34.549 15.943 4.484 1.00 20.02 H new ATOM 0 HB3 GLN A 113 -34.992 15.522 2.841 1.00 20.02 H new ATOM 0 HG2 GLN A 113 -37.023 16.037 3.953 1.00 35.53 H new ATOM 0 HG3 GLN A 113 -36.998 14.293 3.783 1.00 35.53 H new ATOM 0 HE21 GLN A 113 -37.465 13.110 5.538 1.00 30.24 H new ATOM 0 HE22 GLN A 113 -37.359 13.678 7.207 1.00 30.24 H new ATOM 1902 N ALA A 114 -33.577 12.993 1.882 1.00 54.11 N ATOM 1903 CA ALA A 114 -33.675 12.214 0.654 1.00 24.41 C ATOM 1904 C ALA A 114 -33.584 10.719 0.944 1.00 12.20 C ATOM 1905 O ALA A 114 -34.086 9.896 0.178 1.00 22.02 O ATOM 1906 CB ALA A 114 -32.586 12.630 -0.323 1.00 44.43 C ATOM 0 H ALA A 114 -32.708 13.518 1.980 1.00 54.11 H new ATOM 0 HA ALA A 114 -34.648 12.412 0.204 1.00 24.41 H new ATOM 0 HB1 ALA A 114 -32.671 12.040 -1.236 1.00 44.43 H new ATOM 0 HB2 ALA A 114 -32.697 13.687 -0.563 1.00 44.43 H new ATOM 0 HB3 ALA A 114 -31.608 12.461 0.128 1.00 44.43 H new ATOM 1912 N LYS A 115 -32.941 10.375 2.054 1.00 22.43 N ATOM 1913 CA LYS A 115 -32.784 8.979 2.447 1.00 54.03 C ATOM 1914 C LYS A 115 -34.122 8.379 2.866 1.00 34.43 C ATOM 1915 O LYS A 115 -34.725 8.809 3.850 1.00 54.15 O ATOM 1916 CB LYS A 115 -31.778 8.860 3.593 1.00 21.14 C ATOM 1917 CG LYS A 115 -30.868 7.649 3.480 1.00 4.34 C ATOM 1918 CD LYS A 115 -30.837 6.852 4.773 1.00 0.05 C ATOM 1919 CE LYS A 115 -31.861 5.727 4.759 1.00 10.53 C ATOM 1920 NZ LYS A 115 -31.555 4.686 5.779 1.00 70.24 N ATOM 0 H LYS A 115 -32.520 11.044 2.698 1.00 22.43 H new ATOM 0 HA LYS A 115 -32.411 8.425 1.586 1.00 54.03 H new ATOM 0 HB2 LYS A 115 -31.167 9.762 3.624 1.00 21.14 H new ATOM 0 HB3 LYS A 115 -32.320 8.810 4.537 1.00 21.14 H new ATOM 0 HG2 LYS A 115 -31.210 7.010 2.666 1.00 4.34 H new ATOM 0 HG3 LYS A 115 -29.859 7.974 3.227 1.00 4.34 H new ATOM 0 HD2 LYS A 115 -29.840 6.436 4.922 1.00 0.05 H new ATOM 0 HD3 LYS A 115 -31.035 7.515 5.615 1.00 0.05 H new ATOM 0 HE2 LYS A 115 -32.854 6.137 4.945 1.00 10.53 H new ATOM 0 HE3 LYS A 115 -31.885 5.270 3.770 1.00 10.53 H new ATOM 0 HZ1 LYS A 115 -32.275 3.937 5.738 1.00 70.24 H new ATOM 0 HZ2 LYS A 115 -30.619 4.276 5.587 1.00 70.24 H new ATOM 0 HZ3 LYS A 115 -31.557 5.116 6.726 1.00 70.24 H new ATOM 1934 N ARG A 116 -34.580 7.382 2.116 1.00 60.12 N ATOM 1935 CA ARG A 116 -35.846 6.723 2.411 1.00 74.44 C ATOM 1936 C ARG A 116 -36.970 7.744 2.558 1.00 50.44 C ATOM 1937 O ARG A 116 -37.333 8.425 1.598 1.00 4.10 O ATOM 1938 CB ARG A 116 -35.728 5.892 3.690 1.00 64.23 C ATOM 1939 CG ARG A 116 -36.274 4.480 3.552 1.00 52.20 C ATOM 1940 CD ARG A 116 -35.177 3.491 3.189 1.00 15.14 C ATOM 1941 NE ARG A 116 -35.096 2.390 4.145 1.00 22.21 N ATOM 1942 CZ ARG A 116 -34.212 1.402 4.055 1.00 41.34 C ATOM 1943 NH1 ARG A 116 -33.339 1.379 3.057 1.00 2.01 N ATOM 1944 NH2 ARG A 116 -34.200 0.436 4.963 1.00 20.45 N ATOM 0 H ARG A 116 -34.093 7.013 1.299 1.00 60.12 H new ATOM 0 HA ARG A 116 -36.085 6.063 1.577 1.00 74.44 H new ATOM 0 HB2 ARG A 116 -34.680 5.840 3.984 1.00 64.23 H new ATOM 0 HB3 ARG A 116 -36.259 6.401 4.494 1.00 64.23 H new ATOM 0 HG2 ARG A 116 -36.743 4.177 4.488 1.00 52.20 H new ATOM 0 HG3 ARG A 116 -37.050 4.462 2.786 1.00 52.20 H new ATOM 0 HD2 ARG A 116 -35.363 3.092 2.192 1.00 15.14 H new ATOM 0 HD3 ARG A 116 -34.219 4.010 3.151 1.00 15.14 H new ATOM 0 HE ARG A 116 -35.754 2.379 4.924 1.00 22.21 H new ATOM 0 HH11 ARG A 116 -33.345 2.121 2.357 1.00 2.01 H new ATOM 0 HH12 ARG A 116 -32.661 0.620 2.990 1.00 2.01 H new ATOM 0 HH21 ARG A 116 -34.870 0.451 5.732 1.00 20.45 H new ATOM 0 HH22 ARG A 116 -33.521 -0.322 4.893 1.00 20.45 H new TER 1958 ARG A 116