USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1029 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 75 HIS : no HD1:sc= -2.61! K(o=-3.7!,f=-1.8) USER MOD Set 1.2: A 79 GLN : amide:sc= -1.05 K(o=-3.7,f=-2.3) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -0.257 K(o=-2.2,f=-10!) USER MOD Set 2.2: A 93 ASN : amide:sc= -1.9 K(o=-2.2,f=-7.2!) USER MOD Set 3.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 12 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2.7! C(o=-2.7!,f=-6.6!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 28 MET CE :methyl -125:sc= -3.95! (180deg=-8.41!) USER MOD Single : A 30 SER OG : rot 77:sc= 0.798 USER MOD Single : A 32 MET CE :methyl -140:sc= 0 (180deg=-0.825) USER MOD Single : A 36 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.23) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.968 K(o=0.97,f=-5.3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 52 SER OG : rot 177:sc= 0.188 USER MOD Single : A 54 HIS : no HD1:sc= -0.543 K(o=-0.54,f=-1.5) USER MOD Single : A 56 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.11) USER MOD Single : A 58 LYS NZ :NH3+ -109:sc= -0.0737 (180deg=-1.9!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.367 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 96:sc= 1.25 USER MOD Single : A 85 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.038) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 146:sc= 0.224 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 95 TYR OH : rot 96:sc= 1.22 USER MOD Single : A 96 THR OG1 : rot -157:sc= -0.698! USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -177:sc= -0.971 USER MOD Single : A 101 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.7) USER MOD Single : A 104 ASN : amide:sc= 0.292 K(o=0.29,f=-8.1!) USER MOD Single : A 105 SER OG : rot 80:sc= 1.24 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.85 X(o=-0.85,f=-0.77) USER MOD Single : A 112 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.41) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.14) USER MOD Single : A 126 SER OG : rot 61:sc= 1.26 USER MOD Single : A 127 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0341) USER MOD Single : A 128 GLN : amide:sc= -0.426 K(o=-0.43,f=-4.7!) USER MOD Single : A 129 GLN : amide:sc= 0.243 X(o=0.24,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.608 -5.736 8.924 1.00 0.00 N ATOM 2 CA GLY A 1 -28.474 -5.772 7.721 1.00 0.00 C ATOM 3 C GLY A 1 -27.675 -5.781 6.437 1.00 0.00 C ATOM 4 O GLY A 1 -27.763 -6.725 5.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.201 -5.731 9.778 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.993 -6.575 8.934 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.022 -4.877 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.107 -6.659 7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.137 -4.907 7.727 1.00 0.00 H new ATOM 10 N SER A 2 -26.903 -4.725 6.219 1.00 0.00 N ATOM 11 CA SER A 2 -26.063 -4.620 5.034 1.00 0.00 C ATOM 12 C SER A 2 -24.585 -4.621 5.408 1.00 0.00 C ATOM 13 O SER A 2 -23.720 -4.448 4.553 1.00 0.00 O ATOM 14 CB SER A 2 -26.404 -3.343 4.260 1.00 0.00 C ATOM 15 OG SER A 2 -27.473 -2.641 4.877 1.00 0.00 O ATOM 0 H SER A 2 -26.841 -3.926 6.850 1.00 0.00 H new ATOM 0 HA SER A 2 -26.257 -5.487 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.525 -2.700 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.675 -3.597 3.235 1.00 0.00 H new ATOM 0 HG SER A 2 -27.670 -1.829 4.365 1.00 0.00 H new ATOM 21 N THR A 3 -24.305 -4.837 6.688 1.00 0.00 N ATOM 22 CA THR A 3 -22.947 -4.764 7.214 1.00 0.00 C ATOM 23 C THR A 3 -21.974 -5.662 6.446 1.00 0.00 C ATOM 24 O THR A 3 -20.856 -5.251 6.133 1.00 0.00 O ATOM 25 CB THR A 3 -22.933 -5.152 8.699 1.00 0.00 C ATOM 26 OG1 THR A 3 -24.282 -5.232 9.185 1.00 0.00 O ATOM 27 CG2 THR A 3 -22.151 -4.138 9.519 1.00 0.00 C ATOM 0 H THR A 3 -25.010 -5.067 7.388 1.00 0.00 H new ATOM 0 HA THR A 3 -22.615 -3.733 7.092 1.00 0.00 H new ATOM 0 HB THR A 3 -22.446 -6.122 8.800 1.00 0.00 H new ATOM 0 HG1 THR A 3 -24.274 -5.481 10.133 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.156 -4.436 10.567 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.123 -4.094 9.159 1.00 0.00 H new ATOM 0 HG23 THR A 3 -22.612 -3.156 9.419 1.00 0.00 H new ATOM 35 N GLU A 4 -22.417 -6.870 6.115 1.00 0.00 N ATOM 36 CA GLU A 4 -21.555 -7.853 5.462 1.00 0.00 C ATOM 37 C GLU A 4 -21.246 -7.451 4.028 1.00 0.00 C ATOM 38 O GLU A 4 -20.257 -7.889 3.456 1.00 0.00 O ATOM 39 CB GLU A 4 -22.192 -9.248 5.480 1.00 0.00 C ATOM 40 CG GLU A 4 -23.339 -9.402 6.463 1.00 0.00 C ATOM 41 CD GLU A 4 -24.661 -8.959 5.879 1.00 0.00 C ATOM 42 OE1 GLU A 4 -25.329 -9.775 5.214 1.00 0.00 O ATOM 43 OE2 GLU A 4 -25.033 -7.786 6.081 1.00 0.00 O ATOM 0 H GLU A 4 -23.369 -7.194 6.288 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.622 -7.885 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.554 -9.482 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.423 -9.982 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.412 -10.445 6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.127 -8.819 7.359 1.00 0.00 H new ATOM 50 N LYS A 5 -22.074 -6.591 3.463 1.00 0.00 N ATOM 51 CA LYS A 5 -21.892 -6.165 2.086 1.00 0.00 C ATOM 52 C LYS A 5 -21.158 -4.838 2.067 1.00 0.00 C ATOM 53 O LYS A 5 -20.468 -4.510 1.107 1.00 0.00 O ATOM 54 CB LYS A 5 -23.241 -6.080 1.351 1.00 0.00 C ATOM 55 CG LYS A 5 -23.947 -4.735 1.473 1.00 0.00 C ATOM 56 CD LYS A 5 -25.021 -4.571 0.409 1.00 0.00 C ATOM 57 CE LYS A 5 -24.432 -4.067 -0.898 1.00 0.00 C ATOM 58 NZ LYS A 5 -25.334 -4.321 -2.053 1.00 0.00 N ATOM 0 H LYS A 5 -22.877 -6.174 3.934 1.00 0.00 H new ATOM 0 HA LYS A 5 -21.291 -6.904 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -23.079 -6.296 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -23.900 -6.858 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -24.397 -4.647 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -23.217 -3.930 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -25.519 -5.526 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -25.781 -3.873 0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -24.238 -2.997 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -23.473 -4.553 -1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -24.893 -3.961 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -25.500 -5.344 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -26.241 -3.836 -1.898 1.00 0.00 H new ATOM 72 N GLN A 6 -21.298 -4.088 3.154 1.00 0.00 N ATOM 73 CA GLN A 6 -20.549 -2.860 3.332 1.00 0.00 C ATOM 74 C GLN A 6 -19.082 -3.187 3.536 1.00 0.00 C ATOM 75 O GLN A 6 -18.197 -2.510 3.012 1.00 0.00 O ATOM 76 CB GLN A 6 -21.066 -2.084 4.541 1.00 0.00 C ATOM 77 CG GLN A 6 -22.475 -1.549 4.363 1.00 0.00 C ATOM 78 CD GLN A 6 -22.967 -0.804 5.588 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.817 -1.294 6.331 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.439 0.390 5.800 1.00 0.00 N ATOM 0 H GLN A 6 -21.927 -4.314 3.925 1.00 0.00 H new ATOM 0 HA GLN A 6 -20.673 -2.245 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.041 -2.733 5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.393 -1.251 4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -22.502 -0.883 3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.151 -2.377 4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.737 0.758 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -22.734 0.942 6.605 1.00 0.00 H new ATOM 89 N LEU A 7 -18.834 -4.251 4.289 1.00 0.00 N ATOM 90 CA LEU A 7 -17.470 -4.653 4.597 1.00 0.00 C ATOM 91 C LEU A 7 -16.874 -5.491 3.470 1.00 0.00 C ATOM 92 O LEU A 7 -15.671 -5.449 3.229 1.00 0.00 O ATOM 93 CB LEU A 7 -17.406 -5.406 5.934 1.00 0.00 C ATOM 94 CG LEU A 7 -17.646 -6.918 5.874 1.00 0.00 C ATOM 95 CD1 LEU A 7 -16.327 -7.674 5.886 1.00 0.00 C ATOM 96 CD2 LEU A 7 -18.515 -7.360 7.038 1.00 0.00 C ATOM 0 H LEU A 7 -19.555 -4.847 4.695 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.871 -3.747 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.426 -5.233 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.143 -4.969 6.608 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.164 -7.145 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.521 -8.746 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.730 -7.378 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.782 -7.441 6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.677 -8.436 6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.018 -7.116 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.475 -6.845 6.991 1.00 0.00 H new ATOM 108 N GLU A 8 -17.712 -6.240 2.768 1.00 0.00 N ATOM 109 CA GLU A 8 -17.236 -7.079 1.673 1.00 0.00 C ATOM 110 C GLU A 8 -16.937 -6.241 0.442 1.00 0.00 C ATOM 111 O GLU A 8 -16.076 -6.596 -0.358 1.00 0.00 O ATOM 112 CB GLU A 8 -18.246 -8.170 1.327 1.00 0.00 C ATOM 113 CG GLU A 8 -17.603 -9.528 1.107 1.00 0.00 C ATOM 114 CD GLU A 8 -18.099 -10.577 2.079 1.00 0.00 C ATOM 115 OE1 GLU A 8 -17.726 -10.523 3.268 1.00 0.00 O ATOM 116 OE2 GLU A 8 -18.865 -11.466 1.653 1.00 0.00 O ATOM 0 H GLU A 8 -18.717 -6.286 2.933 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.316 -7.558 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.978 -8.247 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.789 -7.882 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.804 -9.859 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.521 -9.433 1.203 1.00 0.00 H new ATOM 123 N ALA A 9 -17.630 -5.116 0.303 1.00 0.00 N ATOM 124 CA ALA A 9 -17.399 -4.226 -0.824 1.00 0.00 C ATOM 125 C ALA A 9 -16.016 -3.622 -0.703 1.00 0.00 C ATOM 126 O ALA A 9 -15.258 -3.552 -1.670 1.00 0.00 O ATOM 127 CB ALA A 9 -18.458 -3.132 -0.880 1.00 0.00 C ATOM 0 H ALA A 9 -18.351 -4.802 0.953 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.466 -4.798 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.263 -2.480 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.444 -3.585 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.426 -2.547 0.039 1.00 0.00 H new ATOM 133 N ILE A 10 -15.672 -3.243 0.515 1.00 0.00 N ATOM 134 CA ILE A 10 -14.365 -2.679 0.782 1.00 0.00 C ATOM 135 C ILE A 10 -13.345 -3.792 1.001 1.00 0.00 C ATOM 136 O ILE A 10 -12.151 -3.540 1.138 1.00 0.00 O ATOM 137 CB ILE A 10 -14.391 -1.726 1.993 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.774 -2.472 3.272 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.347 -0.569 1.738 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.618 -2.635 4.228 1.00 0.00 C ATOM 0 H ILE A 10 -16.279 -3.316 1.331 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.072 -2.093 -0.089 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.387 -1.323 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.579 -1.934 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.163 -3.456 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.354 0.095 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.021 -0.015 0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.352 -0.957 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.953 -3.172 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.821 -3.198 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.244 -1.653 4.517 1.00 0.00 H new ATOM 152 N ASP A 11 -13.827 -5.029 1.026 1.00 0.00 N ATOM 153 CA ASP A 11 -12.949 -6.193 1.075 1.00 0.00 C ATOM 154 C ASP A 11 -12.520 -6.571 -0.327 1.00 0.00 C ATOM 155 O ASP A 11 -11.520 -7.247 -0.517 1.00 0.00 O ATOM 156 CB ASP A 11 -13.635 -7.382 1.752 1.00 0.00 C ATOM 157 CG ASP A 11 -12.655 -8.262 2.499 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.833 -7.723 3.272 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.702 -9.497 2.320 1.00 0.00 O ATOM 0 H ASP A 11 -14.822 -5.252 1.013 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.072 -5.931 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.392 -7.015 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.153 -7.976 0.999 1.00 0.00 H new ATOM 164 N GLN A 12 -13.262 -6.094 -1.317 1.00 0.00 N ATOM 165 CA GLN A 12 -12.885 -6.302 -2.706 1.00 0.00 C ATOM 166 C GLN A 12 -11.974 -5.162 -3.087 1.00 0.00 C ATOM 167 O GLN A 12 -11.089 -5.275 -3.934 1.00 0.00 O ATOM 168 CB GLN A 12 -14.119 -6.339 -3.609 1.00 0.00 C ATOM 169 CG GLN A 12 -15.133 -7.396 -3.207 1.00 0.00 C ATOM 170 CD GLN A 12 -14.520 -8.777 -3.101 1.00 0.00 C ATOM 171 OE1 GLN A 12 -14.224 -9.417 -4.108 1.00 0.00 O ATOM 172 NE2 GLN A 12 -14.332 -9.248 -1.877 1.00 0.00 N ATOM 0 H GLN A 12 -14.123 -5.564 -1.184 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.379 -7.260 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.600 -5.361 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.803 -6.522 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.576 -7.124 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.941 -7.416 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.592 -8.684 -1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.927 -10.175 -1.744 1.00 0.00 H new ATOM 181 N LEU A 13 -12.227 -4.057 -2.418 1.00 0.00 N ATOM 182 CA LEU A 13 -11.369 -2.901 -2.437 1.00 0.00 C ATOM 183 C LEU A 13 -10.040 -3.245 -1.769 1.00 0.00 C ATOM 184 O LEU A 13 -8.973 -2.817 -2.206 1.00 0.00 O ATOM 185 CB LEU A 13 -12.077 -1.808 -1.660 1.00 0.00 C ATOM 186 CG LEU A 13 -11.701 -0.388 -2.003 1.00 0.00 C ATOM 187 CD1 LEU A 13 -12.798 0.245 -2.836 1.00 0.00 C ATOM 188 CD2 LEU A 13 -11.486 0.376 -0.720 1.00 0.00 C ATOM 0 H LEU A 13 -13.055 -3.939 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.165 -2.575 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.150 -1.923 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.885 -1.965 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.781 -0.369 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.522 1.271 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.931 -0.325 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.730 0.245 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.213 1.406 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.404 0.367 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.685 -0.092 -0.148 1.00 0.00 H new ATOM 200 N HIS A 14 -10.140 -4.041 -0.702 1.00 0.00 N ATOM 201 CA HIS A 14 -8.979 -4.521 0.050 1.00 0.00 C ATOM 202 C HIS A 14 -7.977 -5.202 -0.872 1.00 0.00 C ATOM 203 O HIS A 14 -6.771 -5.149 -0.636 1.00 0.00 O ATOM 204 CB HIS A 14 -9.414 -5.516 1.138 1.00 0.00 C ATOM 205 CG HIS A 14 -9.700 -4.896 2.474 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.462 -5.517 3.443 1.00 0.00 N ATOM 207 CD2 HIS A 14 -9.326 -3.707 3.000 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.543 -4.738 4.506 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.860 -3.633 4.263 1.00 0.00 N ATOM 0 H HIS A 14 -11.032 -4.372 -0.334 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.507 -3.655 0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.307 -6.040 0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.632 -6.265 1.260 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.896 -6.436 3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.720 -2.955 2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.076 -4.965 5.418 1.00 0.00 H new ATOM 218 N LEU A 15 -8.488 -5.842 -1.920 1.00 0.00 N ATOM 219 CA LEU A 15 -7.651 -6.550 -2.871 1.00 0.00 C ATOM 220 C LEU A 15 -6.674 -5.611 -3.564 1.00 0.00 C ATOM 221 O LEU A 15 -5.517 -5.960 -3.773 1.00 0.00 O ATOM 222 CB LEU A 15 -8.515 -7.248 -3.919 1.00 0.00 C ATOM 223 CG LEU A 15 -8.873 -8.705 -3.621 1.00 0.00 C ATOM 224 CD1 LEU A 15 -7.741 -9.422 -2.906 1.00 0.00 C ATOM 225 CD2 LEU A 15 -10.164 -8.787 -2.830 1.00 0.00 C ATOM 0 H LEU A 15 -9.486 -5.882 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.078 -7.291 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.440 -6.683 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.995 -7.209 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.026 -9.214 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.030 -10.454 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.849 -9.408 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.530 -8.919 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.401 -9.832 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.048 -8.253 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.972 -8.336 -3.405 1.00 0.00 H new ATOM 237 N GLU A 16 -7.134 -4.417 -3.915 1.00 0.00 N ATOM 238 CA GLU A 16 -6.286 -3.457 -4.609 1.00 0.00 C ATOM 239 C GLU A 16 -5.181 -2.973 -3.689 1.00 0.00 C ATOM 240 O GLU A 16 -4.074 -2.667 -4.136 1.00 0.00 O ATOM 241 CB GLU A 16 -7.113 -2.274 -5.126 1.00 0.00 C ATOM 242 CG GLU A 16 -6.379 -1.406 -6.138 1.00 0.00 C ATOM 243 CD GLU A 16 -7.099 -0.102 -6.432 1.00 0.00 C ATOM 244 OE1 GLU A 16 -8.331 -0.131 -6.634 1.00 0.00 O ATOM 245 OE2 GLU A 16 -6.434 0.958 -6.475 1.00 0.00 O ATOM 0 H GLU A 16 -8.083 -4.092 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.833 -3.954 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.027 -2.654 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.413 -1.655 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.379 -1.186 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.256 -1.964 -7.066 1.00 0.00 H new ATOM 252 N TYR A 17 -5.471 -2.929 -2.402 1.00 0.00 N ATOM 253 CA TYR A 17 -4.463 -2.567 -1.426 1.00 0.00 C ATOM 254 C TYR A 17 -3.448 -3.690 -1.340 1.00 0.00 C ATOM 255 O TYR A 17 -2.246 -3.465 -1.427 1.00 0.00 O ATOM 256 CB TYR A 17 -5.098 -2.299 -0.052 1.00 0.00 C ATOM 257 CG TYR A 17 -4.197 -1.566 0.929 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.972 -2.096 1.321 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.579 -0.349 1.477 1.00 0.00 C ATOM 260 CE1 TYR A 17 -2.158 -1.438 2.221 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.767 0.314 2.383 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.559 -0.234 2.750 1.00 0.00 C ATOM 263 OH TYR A 17 -1.754 0.422 3.653 1.00 0.00 O ATOM 0 H TYR A 17 -6.390 -3.138 -2.011 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.968 -1.647 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.008 -1.716 -0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.395 -3.251 0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.651 -3.043 0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.525 0.088 1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.210 -1.867 2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.081 1.259 2.800 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.185 1.258 3.928 1.00 0.00 H new ATOM 273 N ALA A 18 -3.953 -4.908 -1.224 1.00 0.00 N ATOM 274 CA ALA A 18 -3.107 -6.083 -1.098 1.00 0.00 C ATOM 275 C ALA A 18 -2.281 -6.312 -2.354 1.00 0.00 C ATOM 276 O ALA A 18 -1.150 -6.780 -2.279 1.00 0.00 O ATOM 277 CB ALA A 18 -3.954 -7.308 -0.805 1.00 0.00 C ATOM 0 H ALA A 18 -4.953 -5.109 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.420 -5.911 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.310 -8.182 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.499 -7.159 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.662 -7.464 -1.619 1.00 0.00 H new ATOM 283 N LYS A 19 -2.830 -5.961 -3.507 1.00 0.00 N ATOM 284 CA LYS A 19 -2.166 -6.254 -4.765 1.00 0.00 C ATOM 285 C LYS A 19 -1.134 -5.190 -5.097 1.00 0.00 C ATOM 286 O LYS A 19 -0.312 -5.365 -5.996 1.00 0.00 O ATOM 287 CB LYS A 19 -3.190 -6.382 -5.893 1.00 0.00 C ATOM 288 CG LYS A 19 -3.370 -7.810 -6.390 1.00 0.00 C ATOM 289 CD LYS A 19 -3.809 -8.750 -5.272 1.00 0.00 C ATOM 290 CE LYS A 19 -2.641 -9.564 -4.731 1.00 0.00 C ATOM 291 NZ LYS A 19 -3.053 -10.931 -4.324 1.00 0.00 N ATOM 0 H LYS A 19 -3.724 -5.478 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.645 -7.206 -4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.151 -6.003 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.881 -5.752 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.111 -7.826 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.433 -8.167 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.255 -8.171 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.581 -9.424 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.864 -9.632 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.205 -9.048 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.227 -11.449 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.776 -10.868 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.445 -11.434 -5.145 1.00 0.00 H new ATOM 305 N ARG A 20 -1.170 -4.090 -4.364 1.00 0.00 N ATOM 306 CA ARG A 20 -0.207 -3.024 -4.571 1.00 0.00 C ATOM 307 C ARG A 20 0.782 -2.941 -3.421 1.00 0.00 C ATOM 308 O ARG A 20 1.977 -2.736 -3.638 1.00 0.00 O ATOM 309 CB ARG A 20 -0.920 -1.687 -4.760 1.00 0.00 C ATOM 310 CG ARG A 20 -1.543 -1.526 -6.135 1.00 0.00 C ATOM 311 CD ARG A 20 -0.885 -0.404 -6.914 1.00 0.00 C ATOM 312 NE ARG A 20 -1.798 0.715 -7.130 1.00 0.00 N ATOM 313 CZ ARG A 20 -1.875 1.406 -8.266 1.00 0.00 C ATOM 314 NH1 ARG A 20 -1.082 1.106 -9.288 1.00 0.00 N ATOM 315 NH2 ARG A 20 -2.745 2.403 -8.366 1.00 0.00 N ATOM 0 H ARG A 20 -1.851 -3.913 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 20 0.353 -3.253 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.698 -1.588 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.209 -0.878 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.449 -2.460 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.609 -1.322 -6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.004 -0.055 -6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.541 -0.783 -7.876 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.415 0.984 -6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.410 0.343 -9.205 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.145 1.638 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.348 2.635 -7.577 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.811 2.938 -9.232 1.00 0.00 H new ATOM 329 N ALA A 21 0.294 -3.119 -2.205 1.00 0.00 N ATOM 330 CA ALA A 21 1.149 -3.072 -1.030 1.00 0.00 C ATOM 331 C ALA A 21 2.051 -4.297 -0.959 1.00 0.00 C ATOM 332 O ALA A 21 3.051 -4.289 -0.249 1.00 0.00 O ATOM 333 CB ALA A 21 0.317 -2.963 0.232 1.00 0.00 C ATOM 0 H ALA A 21 -0.690 -3.297 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 21 1.780 -2.187 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.975 -2.929 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.282 -2.053 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.341 -3.828 0.310 1.00 0.00 H new ATOM 339 N ALA A 22 1.709 -5.342 -1.707 1.00 0.00 N ATOM 340 CA ALA A 22 2.479 -6.584 -1.653 1.00 0.00 C ATOM 341 C ALA A 22 3.840 -6.411 -2.331 1.00 0.00 C ATOM 342 O ALA A 22 4.876 -6.566 -1.681 1.00 0.00 O ATOM 343 CB ALA A 22 1.705 -7.756 -2.252 1.00 0.00 C ATOM 0 H ALA A 22 0.916 -5.357 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 22 2.653 -6.819 -0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.311 -8.660 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.779 -7.903 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.472 -7.543 -3.295 1.00 0.00 H new ATOM 349 N PRO A 23 3.886 -6.060 -3.634 1.00 0.00 N ATOM 350 CA PRO A 23 5.157 -5.826 -4.311 1.00 0.00 C ATOM 351 C PRO A 23 5.846 -4.575 -3.789 1.00 0.00 C ATOM 352 O PRO A 23 7.061 -4.441 -3.879 1.00 0.00 O ATOM 353 CB PRO A 23 4.776 -5.666 -5.785 1.00 0.00 C ATOM 354 CG PRO A 23 3.344 -5.259 -5.773 1.00 0.00 C ATOM 355 CD PRO A 23 2.737 -5.886 -4.550 1.00 0.00 C ATOM 0 HA PRO A 23 5.864 -6.639 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.396 -4.914 -6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.916 -6.598 -6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.249 -4.174 -5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.836 -5.597 -6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.970 -5.247 -4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.263 -6.840 -4.783 1.00 0.00 H new ATOM 363 N PHE A 24 5.062 -3.669 -3.219 1.00 0.00 N ATOM 364 CA PHE A 24 5.604 -2.446 -2.660 1.00 0.00 C ATOM 365 C PHE A 24 6.349 -2.735 -1.365 1.00 0.00 C ATOM 366 O PHE A 24 7.431 -2.206 -1.130 1.00 0.00 O ATOM 367 CB PHE A 24 4.490 -1.428 -2.410 1.00 0.00 C ATOM 368 CG PHE A 24 4.979 -0.015 -2.280 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.153 0.391 -2.900 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.265 0.906 -1.537 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.598 1.690 -2.779 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.708 2.206 -1.412 1.00 0.00 C ATOM 373 CZ PHE A 24 5.876 2.600 -2.035 1.00 0.00 C ATOM 0 H PHE A 24 4.050 -3.762 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 24 6.305 -2.025 -3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.772 -1.480 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.956 -1.703 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.723 -0.318 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.350 0.604 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.512 1.995 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.142 2.916 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.223 3.618 -1.940 1.00 0.00 H new ATOM 383 N ASN A 25 5.783 -3.604 -0.536 1.00 0.00 N ATOM 384 CA ASN A 25 6.408 -3.942 0.736 1.00 0.00 C ATOM 385 C ASN A 25 7.604 -4.839 0.501 1.00 0.00 C ATOM 386 O ASN A 25 8.501 -4.948 1.338 1.00 0.00 O ATOM 387 CB ASN A 25 5.415 -4.623 1.682 1.00 0.00 C ATOM 388 CG ASN A 25 5.477 -4.061 3.091 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.013 -2.978 3.316 1.00 0.00 O ATOM 390 ND2 ASN A 25 4.929 -4.792 4.051 1.00 0.00 N ATOM 0 H ASN A 25 4.901 -4.083 -0.719 1.00 0.00 H new ATOM 0 HA ASN A 25 6.738 -3.016 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.405 -4.504 1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.621 -5.693 1.711 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.943 -4.460 5.016 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.493 -5.686 3.825 1.00 0.00 H new ATOM 397 N ASN A 26 7.609 -5.477 -0.649 1.00 0.00 N ATOM 398 CA ASN A 26 8.754 -6.256 -1.081 1.00 0.00 C ATOM 399 C ASN A 26 9.832 -5.311 -1.579 1.00 0.00 C ATOM 400 O ASN A 26 11.003 -5.434 -1.222 1.00 0.00 O ATOM 401 CB ASN A 26 8.350 -7.226 -2.191 1.00 0.00 C ATOM 402 CG ASN A 26 8.448 -8.673 -1.759 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.508 -9.140 -1.343 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.346 -9.400 -1.865 1.00 0.00 N ATOM 0 H ASN A 26 6.829 -5.473 -1.307 1.00 0.00 H new ATOM 0 HA ASN A 26 9.135 -6.838 -0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.328 -7.011 -2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.988 -7.065 -3.060 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.357 -10.384 -1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.487 -8.976 -2.214 1.00 0.00 H new ATOM 411 N TRP A 27 9.394 -4.337 -2.366 1.00 0.00 N ATOM 412 CA TRP A 27 10.274 -3.337 -2.957 1.00 0.00 C ATOM 413 C TRP A 27 11.011 -2.564 -1.874 1.00 0.00 C ATOM 414 O TRP A 27 12.233 -2.449 -1.902 1.00 0.00 O ATOM 415 CB TRP A 27 9.441 -2.375 -3.813 1.00 0.00 C ATOM 416 CG TRP A 27 10.236 -1.336 -4.540 1.00 0.00 C ATOM 417 CD1 TRP A 27 10.835 -1.464 -5.758 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.508 -0.006 -4.098 1.00 0.00 C ATOM 419 NE1 TRP A 27 11.455 -0.286 -6.103 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.270 0.623 -5.096 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.173 0.712 -2.952 1.00 0.00 C ATOM 422 CZ2 TRP A 27 11.708 1.941 -4.979 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.606 2.016 -2.834 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.366 2.621 -3.843 1.00 0.00 C ATOM 0 H TRP A 27 8.412 -4.218 -2.614 1.00 0.00 H new ATOM 0 HA TRP A 27 11.013 -3.838 -3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 27 8.875 -2.956 -4.542 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.716 -1.875 -3.171 1.00 0.00 H new ATOM 0 HD1 TRP A 27 10.824 -2.359 -6.363 1.00 0.00 H new ATOM 0 HE1 TRP A 27 11.969 -0.117 -6.968 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.585 0.255 -2.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.295 2.408 -5.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.355 2.580 -1.948 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.688 3.645 -3.721 1.00 0.00 H new ATOM 435 N MET A 28 10.247 -2.047 -0.916 1.00 0.00 N ATOM 436 CA MET A 28 10.803 -1.267 0.184 1.00 0.00 C ATOM 437 C MET A 28 11.879 -2.042 0.927 1.00 0.00 C ATOM 438 O MET A 28 12.921 -1.493 1.269 1.00 0.00 O ATOM 439 CB MET A 28 9.698 -0.866 1.159 1.00 0.00 C ATOM 440 CG MET A 28 8.658 0.049 0.546 1.00 0.00 C ATOM 441 SD MET A 28 8.879 1.767 1.023 1.00 0.00 S ATOM 442 CE MET A 28 7.168 2.261 1.181 1.00 0.00 C ATOM 0 H MET A 28 9.233 -2.156 -0.880 1.00 0.00 H new ATOM 0 HA MET A 28 11.257 -0.373 -0.243 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.207 -1.766 1.530 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.146 -0.370 2.020 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.704 -0.031 -0.540 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.665 -0.283 0.848 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.981 3.132 0.552 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.522 1.441 0.867 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.956 2.512 2.220 1.00 0.00 H new ATOM 452 N GLU A 29 11.632 -3.322 1.157 1.00 0.00 N ATOM 453 CA GLU A 29 12.567 -4.151 1.905 1.00 0.00 C ATOM 454 C GLU A 29 13.832 -4.417 1.097 1.00 0.00 C ATOM 455 O GLU A 29 14.939 -4.304 1.622 1.00 0.00 O ATOM 456 CB GLU A 29 11.905 -5.463 2.320 1.00 0.00 C ATOM 457 CG GLU A 29 10.952 -5.303 3.494 1.00 0.00 C ATOM 458 CD GLU A 29 11.129 -6.373 4.550 1.00 0.00 C ATOM 459 OE1 GLU A 29 12.041 -6.246 5.393 1.00 0.00 O ATOM 460 OE2 GLU A 29 10.341 -7.338 4.553 1.00 0.00 O ATOM 0 H GLU A 29 10.795 -3.809 0.838 1.00 0.00 H new ATOM 0 HA GLU A 29 12.854 -3.609 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.360 -5.873 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.677 -6.186 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.105 -4.324 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.926 -5.328 3.128 1.00 0.00 H new ATOM 467 N SER A 30 13.676 -4.753 -0.180 1.00 0.00 N ATOM 468 CA SER A 30 14.827 -5.007 -1.037 1.00 0.00 C ATOM 469 C SER A 30 15.631 -3.725 -1.252 1.00 0.00 C ATOM 470 O SER A 30 16.866 -3.747 -1.265 1.00 0.00 O ATOM 471 CB SER A 30 14.378 -5.592 -2.378 1.00 0.00 C ATOM 472 OG SER A 30 13.425 -6.627 -2.186 1.00 0.00 O ATOM 0 H SER A 30 12.771 -4.855 -0.640 1.00 0.00 H new ATOM 0 HA SER A 30 15.470 -5.735 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.946 -4.805 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.242 -5.983 -2.916 1.00 0.00 H new ATOM 0 HG SER A 30 12.552 -6.233 -1.978 1.00 0.00 H new ATOM 478 N ALA A 31 14.925 -2.608 -1.392 1.00 0.00 N ATOM 479 CA ALA A 31 15.565 -1.315 -1.587 1.00 0.00 C ATOM 480 C ALA A 31 16.268 -0.853 -0.316 1.00 0.00 C ATOM 481 O ALA A 31 17.395 -0.365 -0.361 1.00 0.00 O ATOM 482 CB ALA A 31 14.539 -0.283 -2.021 1.00 0.00 C ATOM 0 H ALA A 31 13.906 -2.574 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 31 16.316 -1.424 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.029 0.680 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.079 -0.598 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.771 -0.189 -1.254 1.00 0.00 H new ATOM 488 N MET A 32 15.598 -1.013 0.821 1.00 0.00 N ATOM 489 CA MET A 32 16.179 -0.640 2.105 1.00 0.00 C ATOM 490 C MET A 32 17.369 -1.534 2.429 1.00 0.00 C ATOM 491 O MET A 32 18.302 -1.120 3.109 1.00 0.00 O ATOM 492 CB MET A 32 15.138 -0.731 3.220 1.00 0.00 C ATOM 493 CG MET A 32 15.373 0.260 4.348 1.00 0.00 C ATOM 494 SD MET A 32 14.673 -0.287 5.918 1.00 0.00 S ATOM 495 CE MET A 32 12.931 0.007 5.619 1.00 0.00 C ATOM 0 H MET A 32 14.655 -1.397 0.879 1.00 0.00 H new ATOM 0 HA MET A 32 16.521 0.393 2.034 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.148 -0.561 2.797 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.141 -1.742 3.628 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.445 0.418 4.469 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.938 1.222 4.077 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.470 0.412 6.520 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.817 0.719 4.802 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.444 -0.931 5.353 1.00 0.00 H new ATOM 505 N GLU A 33 17.328 -2.760 1.928 1.00 0.00 N ATOM 506 CA GLU A 33 18.430 -3.692 2.102 1.00 0.00 C ATOM 507 C GLU A 33 19.634 -3.213 1.305 1.00 0.00 C ATOM 508 O GLU A 33 20.749 -3.176 1.817 1.00 0.00 O ATOM 509 CB GLU A 33 18.025 -5.100 1.656 1.00 0.00 C ATOM 510 CG GLU A 33 19.194 -6.063 1.563 1.00 0.00 C ATOM 511 CD GLU A 33 18.756 -7.494 1.346 1.00 0.00 C ATOM 512 OE1 GLU A 33 18.028 -8.033 2.202 1.00 0.00 O ATOM 513 OE2 GLU A 33 19.149 -8.091 0.322 1.00 0.00 O ATOM 0 H GLU A 33 16.541 -3.132 1.397 1.00 0.00 H new ATOM 0 HA GLU A 33 18.691 -3.733 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.291 -5.498 2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.536 -5.038 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.846 -5.759 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.783 -6.002 2.478 1.00 0.00 H new ATOM 520 N ASP A 34 19.384 -2.824 0.062 1.00 0.00 N ATOM 521 CA ASP A 34 20.426 -2.280 -0.806 1.00 0.00 C ATOM 522 C ASP A 34 21.021 -1.027 -0.182 1.00 0.00 C ATOM 523 O ASP A 34 22.235 -0.840 -0.158 1.00 0.00 O ATOM 524 CB ASP A 34 19.848 -1.953 -2.188 1.00 0.00 C ATOM 525 CG ASP A 34 20.874 -1.358 -3.139 1.00 0.00 C ATOM 526 OD1 ASP A 34 21.973 -1.938 -3.281 1.00 0.00 O ATOM 527 OD2 ASP A 34 20.583 -0.307 -3.756 1.00 0.00 O ATOM 0 H ASP A 34 18.463 -2.875 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 34 21.211 -3.027 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.438 -2.862 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.020 -1.253 -2.073 1.00 0.00 H new ATOM 532 N LEU A 35 20.151 -0.183 0.350 1.00 0.00 N ATOM 533 CA LEU A 35 20.576 1.074 0.951 1.00 0.00 C ATOM 534 C LEU A 35 21.377 0.831 2.229 1.00 0.00 C ATOM 535 O LEU A 35 22.299 1.583 2.545 1.00 0.00 O ATOM 536 CB LEU A 35 19.358 1.951 1.255 1.00 0.00 C ATOM 537 CG LEU A 35 19.090 3.075 0.245 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.510 2.664 -1.159 1.00 0.00 C ATOM 539 CD2 LEU A 35 17.622 3.462 0.266 1.00 0.00 C ATOM 0 H LEU A 35 19.144 -0.345 0.378 1.00 0.00 H new ATOM 0 HA LEU A 35 21.220 1.588 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.476 1.313 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.488 2.395 2.242 1.00 0.00 H new ATOM 0 HG LEU A 35 19.687 3.940 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.308 3.480 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.576 2.435 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.947 1.782 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.446 4.260 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.014 2.596 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.351 3.808 1.264 1.00 0.00 H new ATOM 551 N GLN A 36 21.018 -0.219 2.953 1.00 0.00 N ATOM 552 CA GLN A 36 21.665 -0.549 4.217 1.00 0.00 C ATOM 553 C GLN A 36 22.973 -1.301 4.001 1.00 0.00 C ATOM 554 O GLN A 36 23.935 -1.129 4.754 1.00 0.00 O ATOM 555 CB GLN A 36 20.725 -1.400 5.064 1.00 0.00 C ATOM 556 CG GLN A 36 20.536 -0.864 6.467 1.00 0.00 C ATOM 557 CD GLN A 36 19.092 -0.518 6.778 1.00 0.00 C ATOM 558 OE1 GLN A 36 18.816 0.371 7.577 1.00 0.00 O ATOM 559 NE2 GLN A 36 18.159 -1.221 6.153 1.00 0.00 N ATOM 0 H GLN A 36 20.275 -0.864 2.684 1.00 0.00 H new ATOM 0 HA GLN A 36 21.894 0.385 4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.755 -1.459 4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.116 -2.416 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.889 -1.605 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 36 21.153 0.025 6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.427 -1.953 5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.173 -1.030 6.330 1.00 0.00 H new ATOM 568 N ASP A 37 22.994 -2.138 2.972 1.00 0.00 N ATOM 569 CA ASP A 37 24.137 -3.007 2.706 1.00 0.00 C ATOM 570 C ASP A 37 25.378 -2.206 2.366 1.00 0.00 C ATOM 571 O ASP A 37 25.314 -1.209 1.648 1.00 0.00 O ATOM 572 CB ASP A 37 23.831 -3.978 1.564 1.00 0.00 C ATOM 573 CG ASP A 37 24.276 -5.392 1.876 1.00 0.00 C ATOM 574 OD1 ASP A 37 25.481 -5.685 1.737 1.00 0.00 O ATOM 575 OD2 ASP A 37 23.419 -6.212 2.272 1.00 0.00 O ATOM 0 H ASP A 37 22.229 -2.235 2.304 1.00 0.00 H new ATOM 0 HA ASP A 37 24.327 -3.573 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.760 -3.973 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.327 -3.635 0.656 1.00 0.00 H new ATOM 580 N MET A 38 26.507 -2.647 2.891 1.00 0.00 N ATOM 581 CA MET A 38 27.772 -2.010 2.602 1.00 0.00 C ATOM 582 C MET A 38 28.361 -2.610 1.343 1.00 0.00 C ATOM 583 O MET A 38 28.741 -3.782 1.314 1.00 0.00 O ATOM 584 CB MET A 38 28.749 -2.169 3.765 1.00 0.00 C ATOM 585 CG MET A 38 29.293 -0.849 4.285 1.00 0.00 C ATOM 586 SD MET A 38 29.731 0.292 2.957 1.00 0.00 S ATOM 587 CE MET A 38 31.448 -0.145 2.692 1.00 0.00 C ATOM 0 H MET A 38 26.570 -3.447 3.521 1.00 0.00 H new ATOM 0 HA MET A 38 27.598 -0.944 2.455 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.249 -2.693 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.582 -2.796 3.446 1.00 0.00 H new ATOM 0 HG2 MET A 38 28.548 -0.382 4.930 1.00 0.00 H new ATOM 0 HG3 MET A 38 30.172 -1.040 4.900 1.00 0.00 H new ATOM 0 HE1 MET A 38 31.863 0.475 1.898 1.00 0.00 H new ATOM 0 HE2 MET A 38 32.011 0.018 3.611 1.00 0.00 H new ATOM 0 HE3 MET A 38 31.516 -1.195 2.406 1.00 0.00 H new ATOM 597 N PHE A 39 28.403 -1.812 0.297 1.00 0.00 N ATOM 598 CA PHE A 39 28.930 -2.253 -0.980 1.00 0.00 C ATOM 599 C PHE A 39 30.452 -2.238 -0.958 1.00 0.00 C ATOM 600 O PHE A 39 31.067 -1.304 -0.442 1.00 0.00 O ATOM 601 CB PHE A 39 28.406 -1.363 -2.119 1.00 0.00 C ATOM 602 CG PHE A 39 28.903 0.057 -2.063 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.376 0.957 -1.152 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.900 0.490 -2.925 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.833 2.258 -1.098 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.361 1.791 -2.875 1.00 0.00 C ATOM 607 CZ PHE A 39 29.829 2.675 -1.960 1.00 0.00 C ATOM 0 H PHE A 39 28.076 -0.846 0.306 1.00 0.00 H new ATOM 0 HA PHE A 39 28.592 -3.274 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.698 -1.802 -3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.316 -1.357 -2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.598 0.637 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.321 -0.198 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.413 2.949 -0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 39 31.137 2.116 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.190 3.692 -1.917 1.00 0.00 H new ATOM 617 N ILE A 40 31.058 -3.282 -1.492 1.00 0.00 N ATOM 618 CA ILE A 40 32.499 -3.323 -1.616 1.00 0.00 C ATOM 619 C ILE A 40 32.891 -3.222 -3.085 1.00 0.00 C ATOM 620 O ILE A 40 32.299 -3.876 -3.947 1.00 0.00 O ATOM 621 CB ILE A 40 33.111 -4.588 -0.958 1.00 0.00 C ATOM 622 CG1 ILE A 40 34.595 -4.364 -0.645 1.00 0.00 C ATOM 623 CG2 ILE A 40 32.936 -5.813 -1.838 1.00 0.00 C ATOM 624 CD1 ILE A 40 34.845 -3.261 0.362 1.00 0.00 C ATOM 0 H ILE A 40 30.575 -4.109 -1.845 1.00 0.00 H new ATOM 0 HA ILE A 40 32.907 -2.468 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 40 32.576 -4.768 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 40 35.022 -5.293 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 40 35.120 -4.125 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 40 33.376 -6.680 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 40 31.874 -5.991 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 40 33.432 -5.648 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 40 35.917 -3.161 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 40 34.449 -2.321 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 40 34.349 -3.506 1.301 1.00 0.00 H new ATOM 636 N VAL A 41 33.851 -2.365 -3.377 1.00 0.00 N ATOM 637 CA VAL A 41 34.305 -2.184 -4.741 1.00 0.00 C ATOM 638 C VAL A 41 35.807 -2.397 -4.824 1.00 0.00 C ATOM 639 O VAL A 41 36.530 -2.192 -3.848 1.00 0.00 O ATOM 640 CB VAL A 41 33.947 -0.784 -5.295 1.00 0.00 C ATOM 641 CG1 VAL A 41 32.441 -0.571 -5.285 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.648 0.317 -4.511 1.00 0.00 C ATOM 0 H VAL A 41 34.330 -1.785 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 41 33.791 -2.925 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 41 34.297 -0.735 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 41 32.211 0.419 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.962 -1.328 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 41 32.069 -0.651 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.376 1.288 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.343 0.270 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 41 35.727 0.182 -4.581 1.00 0.00 H new ATOM 652 N HIS A 42 36.264 -2.840 -5.979 1.00 0.00 N ATOM 653 CA HIS A 42 37.683 -3.061 -6.216 1.00 0.00 C ATOM 654 C HIS A 42 38.152 -2.166 -7.352 1.00 0.00 C ATOM 655 O HIS A 42 39.219 -1.556 -7.287 1.00 0.00 O ATOM 656 CB HIS A 42 37.953 -4.529 -6.577 1.00 0.00 C ATOM 657 CG HIS A 42 37.229 -5.524 -5.717 1.00 0.00 C ATOM 658 ND1 HIS A 42 35.919 -5.894 -5.931 1.00 0.00 N ATOM 659 CD2 HIS A 42 37.644 -6.236 -4.643 1.00 0.00 C ATOM 660 CE1 HIS A 42 35.557 -6.784 -5.029 1.00 0.00 C ATOM 661 NE2 HIS A 42 36.586 -7.010 -4.236 1.00 0.00 N ATOM 0 H HIS A 42 35.668 -3.057 -6.778 1.00 0.00 H new ATOM 0 HA HIS A 42 38.229 -2.821 -5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 42 37.670 -4.692 -7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 42 39.024 -4.717 -6.505 1.00 0.00 H new ATOM 0 HD1 HIS A 42 35.321 -5.534 -6.674 1.00 0.00 H new ATOM 0 HD2 HIS A 42 38.624 -6.201 -4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 42 34.585 -7.248 -4.952 1.00 0.00 H new ATOM 670 N THR A 43 37.326 -2.080 -8.379 1.00 0.00 N ATOM 671 CA THR A 43 37.657 -1.344 -9.580 1.00 0.00 C ATOM 672 C THR A 43 36.589 -0.302 -9.894 1.00 0.00 C ATOM 673 O THR A 43 35.519 -0.291 -9.278 1.00 0.00 O ATOM 674 CB THR A 43 37.785 -2.299 -10.776 1.00 0.00 C ATOM 675 OG1 THR A 43 36.976 -3.464 -10.558 1.00 0.00 O ATOM 676 CG2 THR A 43 39.231 -2.713 -10.980 1.00 0.00 C ATOM 0 H THR A 43 36.406 -2.520 -8.401 1.00 0.00 H new ATOM 0 HA THR A 43 38.608 -0.841 -9.406 1.00 0.00 H new ATOM 0 HB THR A 43 37.442 -1.779 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 43 37.060 -4.069 -11.325 1.00 0.00 H new ATOM 0 HG21 THR A 43 39.299 -3.389 -11.832 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.839 -1.829 -11.169 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.594 -3.219 -10.085 1.00 0.00 H new ATOM 684 N ILE A 44 36.876 0.547 -10.871 1.00 0.00 N ATOM 685 CA ILE A 44 35.946 1.588 -11.283 1.00 0.00 C ATOM 686 C ILE A 44 34.739 0.975 -11.982 1.00 0.00 C ATOM 687 O ILE A 44 33.646 1.542 -11.968 1.00 0.00 O ATOM 688 CB ILE A 44 36.631 2.636 -12.203 1.00 0.00 C ATOM 689 CG1 ILE A 44 36.440 2.299 -13.686 1.00 0.00 C ATOM 690 CG2 ILE A 44 38.112 2.729 -11.876 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.718 3.378 -14.462 1.00 0.00 C ATOM 0 H ILE A 44 37.751 0.534 -11.395 1.00 0.00 H new ATOM 0 HA ILE A 44 35.610 2.106 -10.385 1.00 0.00 H new ATOM 0 HB ILE A 44 36.158 3.600 -12.018 1.00 0.00 H new ATOM 0 HG12 ILE A 44 37.416 2.127 -14.140 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.881 1.367 -13.770 1.00 0.00 H new ATOM 0 HG21 ILE A 44 38.583 3.466 -12.526 1.00 0.00 H new ATOM 0 HG22 ILE A 44 38.237 3.030 -10.836 1.00 0.00 H new ATOM 0 HG23 ILE A 44 38.580 1.757 -12.031 1.00 0.00 H new ATOM 0 HD11 ILE A 44 35.618 3.072 -15.503 1.00 0.00 H new ATOM 0 HD12 ILE A 44 34.728 3.534 -14.033 1.00 0.00 H new ATOM 0 HD13 ILE A 44 36.287 4.306 -14.409 1.00 0.00 H new ATOM 703 N GLU A 45 34.949 -0.196 -12.584 1.00 0.00 N ATOM 704 CA GLU A 45 33.890 -0.935 -13.251 1.00 0.00 C ATOM 705 C GLU A 45 32.688 -1.127 -12.331 1.00 0.00 C ATOM 706 O GLU A 45 31.545 -0.928 -12.734 1.00 0.00 O ATOM 707 CB GLU A 45 34.421 -2.293 -13.698 1.00 0.00 C ATOM 708 CG GLU A 45 34.518 -2.445 -15.203 1.00 0.00 C ATOM 709 CD GLU A 45 34.366 -3.883 -15.648 1.00 0.00 C ATOM 710 OE1 GLU A 45 35.269 -4.693 -15.365 1.00 0.00 O ATOM 711 OE2 GLU A 45 33.339 -4.212 -16.280 1.00 0.00 O ATOM 0 H GLU A 45 35.860 -0.654 -12.620 1.00 0.00 H new ATOM 0 HA GLU A 45 33.564 -0.362 -14.119 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.408 -2.449 -13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 45 33.771 -3.075 -13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.747 -1.837 -15.677 1.00 0.00 H new ATOM 0 HG3 GLU A 45 35.480 -2.062 -15.543 1.00 0.00 H new ATOM 718 N GLU A 46 32.959 -1.501 -11.089 1.00 0.00 N ATOM 719 CA GLU A 46 31.899 -1.739 -10.119 1.00 0.00 C ATOM 720 C GLU A 46 31.235 -0.439 -9.684 1.00 0.00 C ATOM 721 O GLU A 46 30.022 -0.399 -9.501 1.00 0.00 O ATOM 722 CB GLU A 46 32.451 -2.488 -8.913 1.00 0.00 C ATOM 723 CG GLU A 46 33.174 -3.765 -9.299 1.00 0.00 C ATOM 724 CD GLU A 46 34.212 -4.167 -8.291 1.00 0.00 C ATOM 725 OE1 GLU A 46 35.331 -3.642 -8.358 1.00 0.00 O ATOM 726 OE2 GLU A 46 33.923 -5.013 -7.424 1.00 0.00 O ATOM 0 H GLU A 46 33.902 -1.646 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 46 31.136 -2.352 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 46 33.136 -1.838 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 46 31.633 -2.729 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.448 -4.571 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 46 33.649 -3.630 -10.271 1.00 0.00 H new ATOM 733 N ILE A 47 32.013 0.631 -9.543 1.00 0.00 N ATOM 734 CA ILE A 47 31.444 1.919 -9.144 1.00 0.00 C ATOM 735 C ILE A 47 30.600 2.491 -10.282 1.00 0.00 C ATOM 736 O ILE A 47 29.714 3.313 -10.064 1.00 0.00 O ATOM 737 CB ILE A 47 32.517 2.946 -8.675 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.851 3.968 -9.776 1.00 0.00 C ATOM 739 CG2 ILE A 47 33.770 2.227 -8.200 1.00 0.00 C ATOM 740 CD1 ILE A 47 34.291 4.445 -9.775 1.00 0.00 C ATOM 0 H ILE A 47 33.022 0.636 -9.695 1.00 0.00 H new ATOM 0 HA ILE A 47 30.809 1.733 -8.278 1.00 0.00 H new ATOM 0 HB ILE A 47 32.098 3.503 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 47 32.629 3.523 -10.746 1.00 0.00 H new ATOM 0 HG13 ILE A 47 32.195 4.831 -9.664 1.00 0.00 H new ATOM 0 HG21 ILE A 47 34.509 2.960 -7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 47 33.519 1.571 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 47 34.181 1.634 -9.017 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.437 5.162 -10.583 1.00 0.00 H new ATOM 0 HD12 ILE A 47 34.516 4.922 -8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.956 3.594 -9.920 1.00 0.00 H new ATOM 752 N GLU A 48 30.862 2.019 -11.493 1.00 0.00 N ATOM 753 CA GLU A 48 30.034 2.351 -12.644 1.00 0.00 C ATOM 754 C GLU A 48 28.860 1.377 -12.739 1.00 0.00 C ATOM 755 O GLU A 48 28.137 1.343 -13.735 1.00 0.00 O ATOM 756 CB GLU A 48 30.863 2.303 -13.926 1.00 0.00 C ATOM 757 CG GLU A 48 31.749 3.524 -14.120 1.00 0.00 C ATOM 758 CD GLU A 48 31.082 4.603 -14.944 1.00 0.00 C ATOM 759 OE1 GLU A 48 30.718 4.334 -16.107 1.00 0.00 O ATOM 760 OE2 GLU A 48 30.916 5.731 -14.431 1.00 0.00 O ATOM 0 H GLU A 48 31.646 1.402 -11.704 1.00 0.00 H new ATOM 0 HA GLU A 48 29.647 3.362 -12.519 1.00 0.00 H new ATOM 0 HB2 GLU A 48 31.487 1.409 -13.913 1.00 0.00 H new ATOM 0 HB3 GLU A 48 30.192 2.211 -14.780 1.00 0.00 H new ATOM 0 HG2 GLU A 48 32.019 3.931 -13.145 1.00 0.00 H new ATOM 0 HG3 GLU A 48 32.676 3.222 -14.607 1.00 0.00 H new ATOM 767 N GLY A 49 28.699 0.571 -11.694 1.00 0.00 N ATOM 768 CA GLY A 49 27.616 -0.388 -11.642 1.00 0.00 C ATOM 769 C GLY A 49 26.665 -0.129 -10.486 1.00 0.00 C ATOM 770 O GLY A 49 25.489 0.173 -10.699 1.00 0.00 O ATOM 0 H GLY A 49 29.308 0.568 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 49 27.061 -0.355 -12.579 1.00 0.00 H new ATOM 0 HA3 GLY A 49 28.029 -1.393 -11.551 1.00 0.00 H new ATOM 774 N LEU A 50 27.163 -0.224 -9.252 1.00 0.00 N ATOM 775 CA LEU A 50 26.288 -0.085 -8.081 1.00 0.00 C ATOM 776 C LEU A 50 25.885 1.371 -7.808 1.00 0.00 C ATOM 777 O LEU A 50 25.090 1.647 -6.907 1.00 0.00 O ATOM 778 CB LEU A 50 26.856 -0.756 -6.804 1.00 0.00 C ATOM 779 CG LEU A 50 28.310 -0.449 -6.387 1.00 0.00 C ATOM 780 CD1 LEU A 50 29.234 -1.594 -6.779 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.786 0.856 -6.986 1.00 0.00 C ATOM 0 H LEU A 50 28.146 -0.393 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 50 25.382 -0.630 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.209 -0.481 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.770 -1.835 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 50 28.334 -0.345 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.254 -1.358 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.911 -2.509 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 50 29.200 -1.736 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.813 1.046 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.742 0.795 -8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 50 28.147 1.669 -6.642 1.00 0.00 H new ATOM 793 N ILE A 51 26.435 2.296 -8.582 1.00 0.00 N ATOM 794 CA ILE A 51 26.056 3.698 -8.475 1.00 0.00 C ATOM 795 C ILE A 51 24.869 3.984 -9.388 1.00 0.00 C ATOM 796 O ILE A 51 23.906 4.637 -8.984 1.00 0.00 O ATOM 797 CB ILE A 51 27.233 4.646 -8.814 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.236 4.658 -7.655 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.735 6.060 -9.107 1.00 0.00 C ATOM 800 CD1 ILE A 51 29.355 5.660 -7.823 1.00 0.00 C ATOM 0 H ILE A 51 27.144 2.102 -9.289 1.00 0.00 H new ATOM 0 HA ILE A 51 25.775 3.888 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 51 27.728 4.277 -9.712 1.00 0.00 H new ATOM 0 HG12 ILE A 51 27.703 4.875 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.666 3.662 -7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.583 6.703 -9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 51 26.052 6.036 -9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.214 6.451 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.022 5.608 -6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 51 29.914 5.432 -8.730 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.937 6.664 -7.897 1.00 0.00 H new ATOM 812 N SER A 52 24.925 3.453 -10.604 1.00 0.00 N ATOM 813 CA SER A 52 23.847 3.617 -11.570 1.00 0.00 C ATOM 814 C SER A 52 22.560 2.975 -11.053 1.00 0.00 C ATOM 815 O SER A 52 21.458 3.444 -11.340 1.00 0.00 O ATOM 816 CB SER A 52 24.266 2.993 -12.897 1.00 0.00 C ATOM 817 OG SER A 52 25.620 2.568 -12.834 1.00 0.00 O ATOM 0 H SER A 52 25.712 2.901 -10.945 1.00 0.00 H new ATOM 0 HA SER A 52 23.652 4.679 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 52 23.621 2.145 -13.128 1.00 0.00 H new ATOM 0 HB3 SER A 52 24.142 3.716 -13.703 1.00 0.00 H new ATOM 0 HG SER A 52 25.863 2.126 -13.674 1.00 0.00 H new ATOM 823 N ALA A 53 22.715 1.912 -10.269 1.00 0.00 N ATOM 824 CA ALA A 53 21.583 1.259 -9.624 1.00 0.00 C ATOM 825 C ALA A 53 20.872 2.223 -8.677 1.00 0.00 C ATOM 826 O ALA A 53 19.651 2.193 -8.534 1.00 0.00 O ATOM 827 CB ALA A 53 22.049 0.025 -8.868 1.00 0.00 C ATOM 0 H ALA A 53 23.618 1.484 -10.065 1.00 0.00 H new ATOM 0 HA ALA A 53 20.877 0.953 -10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.194 -0.454 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.514 -0.674 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.773 0.316 -8.107 1.00 0.00 H new ATOM 833 N HIS A 54 21.654 3.087 -8.043 1.00 0.00 N ATOM 834 CA HIS A 54 21.125 4.076 -7.116 1.00 0.00 C ATOM 835 C HIS A 54 20.626 5.301 -7.875 1.00 0.00 C ATOM 836 O HIS A 54 19.760 6.029 -7.392 1.00 0.00 O ATOM 837 CB HIS A 54 22.203 4.481 -6.108 1.00 0.00 C ATOM 838 CG HIS A 54 21.670 5.217 -4.918 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.683 4.712 -4.101 1.00 0.00 N ATOM 840 CD2 HIS A 54 21.994 6.427 -4.409 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.417 5.582 -3.147 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.198 6.631 -3.309 1.00 0.00 N ATOM 0 H HIS A 54 22.667 3.121 -8.157 1.00 0.00 H new ATOM 0 HA HIS A 54 20.286 3.636 -6.577 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.723 3.586 -5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.941 5.107 -6.610 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.740 7.106 -4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.683 5.456 -2.365 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.209 7.460 -2.714 1.00 0.00 H new ATOM 851 N ASP A 55 21.181 5.522 -9.059 1.00 0.00 N ATOM 852 CA ASP A 55 20.737 6.610 -9.923 1.00 0.00 C ATOM 853 C ASP A 55 19.329 6.323 -10.425 1.00 0.00 C ATOM 854 O ASP A 55 18.430 7.148 -10.291 1.00 0.00 O ATOM 855 CB ASP A 55 21.691 6.781 -11.105 1.00 0.00 C ATOM 856 CG ASP A 55 21.323 7.960 -11.984 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.450 7.810 -12.862 1.00 0.00 O ATOM 858 OD2 ASP A 55 21.915 9.044 -11.804 1.00 0.00 O ATOM 0 H ASP A 55 21.941 4.962 -9.445 1.00 0.00 H new ATOM 0 HA ASP A 55 20.733 7.536 -9.348 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.706 6.914 -10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.688 5.871 -11.704 1.00 0.00 H new ATOM 863 N GLN A 56 19.145 5.130 -10.985 1.00 0.00 N ATOM 864 CA GLN A 56 17.836 4.695 -11.450 1.00 0.00 C ATOM 865 C GLN A 56 16.876 4.546 -10.283 1.00 0.00 C ATOM 866 O GLN A 56 15.664 4.633 -10.450 1.00 0.00 O ATOM 867 CB GLN A 56 17.960 3.377 -12.210 1.00 0.00 C ATOM 868 CG GLN A 56 18.742 3.513 -13.499 1.00 0.00 C ATOM 869 CD GLN A 56 17.996 4.327 -14.542 1.00 0.00 C ATOM 870 OE1 GLN A 56 17.177 3.796 -15.296 1.00 0.00 O ATOM 871 NE2 GLN A 56 18.275 5.620 -14.597 1.00 0.00 N ATOM 0 H GLN A 56 19.890 4.448 -11.127 1.00 0.00 H new ATOM 0 HA GLN A 56 17.438 5.453 -12.125 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.446 2.639 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.963 2.997 -12.434 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.702 3.985 -13.291 1.00 0.00 H new ATOM 0 HG3 GLN A 56 18.955 2.522 -13.899 1.00 0.00 H new ATOM 0 HE21 GLN A 56 18.959 6.022 -13.956 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.806 6.214 -15.281 1.00 0.00 H new ATOM 880 N PHE A 57 17.430 4.344 -9.096 1.00 0.00 N ATOM 881 CA PHE A 57 16.636 4.274 -7.882 1.00 0.00 C ATOM 882 C PHE A 57 15.927 5.603 -7.644 1.00 0.00 C ATOM 883 O PHE A 57 14.806 5.643 -7.139 1.00 0.00 O ATOM 884 CB PHE A 57 17.531 3.932 -6.688 1.00 0.00 C ATOM 885 CG PHE A 57 16.772 3.649 -5.428 1.00 0.00 C ATOM 886 CD1 PHE A 57 15.910 2.570 -5.352 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.921 4.463 -4.320 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.208 2.308 -4.197 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.221 4.207 -3.157 1.00 0.00 C ATOM 890 CZ PHE A 57 15.363 3.130 -3.095 1.00 0.00 C ATOM 0 H PHE A 57 18.432 4.225 -8.950 1.00 0.00 H new ATOM 0 HA PHE A 57 15.886 3.491 -7.995 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.139 3.063 -6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.217 4.760 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.786 1.925 -6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.592 5.308 -4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.538 1.462 -4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.346 4.849 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.813 2.928 -2.188 1.00 0.00 H new ATOM 900 N LYS A 58 16.586 6.685 -8.032 1.00 0.00 N ATOM 901 CA LYS A 58 16.013 8.015 -7.919 1.00 0.00 C ATOM 902 C LYS A 58 14.902 8.207 -8.936 1.00 0.00 C ATOM 903 O LYS A 58 14.073 9.108 -8.807 1.00 0.00 O ATOM 904 CB LYS A 58 17.093 9.081 -8.117 1.00 0.00 C ATOM 905 CG LYS A 58 18.140 9.107 -7.014 1.00 0.00 C ATOM 906 CD LYS A 58 17.510 8.905 -5.645 1.00 0.00 C ATOM 907 CE LYS A 58 16.479 9.979 -5.346 1.00 0.00 C ATOM 908 NZ LYS A 58 17.034 11.083 -4.515 1.00 0.00 N ATOM 0 H LYS A 58 17.525 6.665 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 58 15.593 8.121 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.589 8.909 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.617 10.060 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.880 8.327 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.669 10.060 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.038 7.923 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.286 8.920 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.102 10.388 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.630 9.530 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.631 11.033 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.068 10.990 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.791 11.998 -4.946 1.00 0.00 H new ATOM 922 N SER A 59 14.889 7.348 -9.938 1.00 0.00 N ATOM 923 CA SER A 59 13.886 7.412 -10.992 1.00 0.00 C ATOM 924 C SER A 59 12.664 6.578 -10.617 1.00 0.00 C ATOM 925 O SER A 59 11.537 6.911 -10.983 1.00 0.00 O ATOM 926 CB SER A 59 14.474 6.926 -12.320 1.00 0.00 C ATOM 927 OG SER A 59 15.866 7.204 -12.399 1.00 0.00 O ATOM 0 H SER A 59 15.565 6.592 -10.047 1.00 0.00 H new ATOM 0 HA SER A 59 13.575 8.450 -11.109 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.308 5.854 -12.423 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.956 7.410 -13.148 1.00 0.00 H new ATOM 0 HG SER A 59 16.216 6.882 -13.256 1.00 0.00 H new ATOM 933 N THR A 60 12.889 5.500 -9.876 1.00 0.00 N ATOM 934 CA THR A 60 11.790 4.669 -9.398 1.00 0.00 C ATOM 935 C THR A 60 11.052 5.347 -8.240 1.00 0.00 C ATOM 936 O THR A 60 9.868 5.093 -8.009 1.00 0.00 O ATOM 937 CB THR A 60 12.293 3.288 -8.937 1.00 0.00 C ATOM 938 OG1 THR A 60 13.650 3.088 -9.354 1.00 0.00 O ATOM 939 CG2 THR A 60 11.418 2.180 -9.504 1.00 0.00 C ATOM 0 H THR A 60 13.816 5.182 -9.594 1.00 0.00 H new ATOM 0 HA THR A 60 11.103 4.536 -10.234 1.00 0.00 H new ATOM 0 HB THR A 60 12.242 3.255 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.958 2.208 -9.053 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.791 1.213 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.393 2.314 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.443 2.218 -10.593 1.00 0.00 H new ATOM 947 N LEU A 61 11.759 6.222 -7.529 1.00 0.00 N ATOM 948 CA LEU A 61 11.212 6.896 -6.352 1.00 0.00 C ATOM 949 C LEU A 61 9.924 7.679 -6.659 1.00 0.00 C ATOM 950 O LEU A 61 8.905 7.432 -6.023 1.00 0.00 O ATOM 951 CB LEU A 61 12.261 7.823 -5.727 1.00 0.00 C ATOM 952 CG LEU A 61 13.259 7.150 -4.777 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.769 8.148 -3.758 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.633 5.956 -4.073 1.00 0.00 C ATOM 0 H LEU A 61 12.720 6.483 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 61 10.948 6.115 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.819 8.304 -6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.743 8.612 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 61 14.097 6.789 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.477 7.657 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.266 8.971 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.932 8.536 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.366 5.501 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.771 6.286 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.312 5.224 -4.814 1.00 0.00 H new ATOM 966 N PRO A 62 9.928 8.623 -7.631 1.00 0.00 N ATOM 967 CA PRO A 62 8.753 9.464 -7.919 1.00 0.00 C ATOM 968 C PRO A 62 7.479 8.662 -8.196 1.00 0.00 C ATOM 969 O PRO A 62 6.379 9.101 -7.860 1.00 0.00 O ATOM 970 CB PRO A 62 9.156 10.262 -9.167 1.00 0.00 C ATOM 971 CG PRO A 62 10.375 9.589 -9.697 1.00 0.00 C ATOM 972 CD PRO A 62 11.052 8.967 -8.513 1.00 0.00 C ATOM 0 HA PRO A 62 8.507 10.085 -7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.356 10.263 -9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.360 11.303 -8.917 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.113 8.834 -10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.032 10.305 -10.191 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.628 8.086 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.744 9.660 -8.034 1.00 0.00 H new ATOM 980 N ASP A 63 7.620 7.489 -8.800 1.00 0.00 N ATOM 981 CA ASP A 63 6.450 6.675 -9.115 1.00 0.00 C ATOM 982 C ASP A 63 5.996 5.886 -7.896 1.00 0.00 C ATOM 983 O ASP A 63 4.809 5.851 -7.580 1.00 0.00 O ATOM 984 CB ASP A 63 6.718 5.732 -10.286 1.00 0.00 C ATOM 985 CG ASP A 63 5.463 5.486 -11.101 1.00 0.00 C ATOM 986 OD1 ASP A 63 4.707 6.454 -11.338 1.00 0.00 O ATOM 987 OD2 ASP A 63 5.218 4.330 -11.499 1.00 0.00 O ATOM 0 H ASP A 63 8.514 7.084 -9.078 1.00 0.00 H new ATOM 0 HA ASP A 63 5.651 7.356 -9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.491 6.156 -10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.101 4.783 -9.910 1.00 0.00 H new ATOM 992 N ALA A 64 6.948 5.268 -7.203 1.00 0.00 N ATOM 993 CA ALA A 64 6.641 4.506 -5.999 1.00 0.00 C ATOM 994 C ALA A 64 6.088 5.422 -4.907 1.00 0.00 C ATOM 995 O ALA A 64 5.231 5.025 -4.117 1.00 0.00 O ATOM 996 CB ALA A 64 7.880 3.768 -5.511 1.00 0.00 C ATOM 0 H ALA A 64 7.936 5.280 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 64 5.875 3.769 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.636 3.203 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.225 3.084 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.667 4.488 -5.285 1.00 0.00 H new ATOM 1002 N ASP A 65 6.579 6.656 -4.883 1.00 0.00 N ATOM 1003 CA ASP A 65 6.088 7.676 -3.959 1.00 0.00 C ATOM 1004 C ASP A 65 4.609 7.937 -4.216 1.00 0.00 C ATOM 1005 O ASP A 65 3.791 7.930 -3.294 1.00 0.00 O ATOM 1006 CB ASP A 65 6.907 8.965 -4.130 1.00 0.00 C ATOM 1007 CG ASP A 65 6.651 10.014 -3.060 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.519 10.093 -2.532 1.00 0.00 O ATOM 1009 OD2 ASP A 65 7.592 10.776 -2.747 1.00 0.00 O ATOM 0 H ASP A 65 7.325 6.978 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 65 6.202 7.325 -2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.967 8.711 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.685 9.396 -5.106 1.00 0.00 H new ATOM 1014 N ARG A 66 4.271 8.133 -5.484 1.00 0.00 N ATOM 1015 CA ARG A 66 2.892 8.363 -5.883 1.00 0.00 C ATOM 1016 C ARG A 66 2.025 7.148 -5.554 1.00 0.00 C ATOM 1017 O ARG A 66 0.909 7.292 -5.048 1.00 0.00 O ATOM 1018 CB ARG A 66 2.819 8.669 -7.379 1.00 0.00 C ATOM 1019 CG ARG A 66 1.636 9.538 -7.764 1.00 0.00 C ATOM 1020 CD ARG A 66 1.179 9.259 -9.188 1.00 0.00 C ATOM 1021 NE ARG A 66 1.100 10.479 -9.992 1.00 0.00 N ATOM 1022 CZ ARG A 66 0.524 10.549 -11.194 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -0.025 9.475 -11.747 1.00 0.00 N ATOM 1024 NH2 ARG A 66 0.506 11.698 -11.857 1.00 0.00 N ATOM 0 H ARG A 66 4.938 8.137 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 66 2.512 9.220 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.739 9.166 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.765 7.731 -7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.811 9.358 -7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.909 10.589 -7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.870 8.560 -9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.202 8.776 -9.166 1.00 0.00 H new ATOM 0 HE ARG A 66 1.511 11.330 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.010 8.583 -11.253 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.462 9.542 -12.666 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.933 12.529 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.065 11.750 -12.775 1.00 0.00 H new ATOM 1038 N GLU A 67 2.548 5.958 -5.835 1.00 0.00 N ATOM 1039 CA GLU A 67 1.827 4.718 -5.575 1.00 0.00 C ATOM 1040 C GLU A 67 1.573 4.528 -4.080 1.00 0.00 C ATOM 1041 O GLU A 67 0.520 4.036 -3.689 1.00 0.00 O ATOM 1042 CB GLU A 67 2.593 3.518 -6.135 1.00 0.00 C ATOM 1043 CG GLU A 67 1.750 2.651 -7.057 1.00 0.00 C ATOM 1044 CD GLU A 67 2.484 1.418 -7.542 1.00 0.00 C ATOM 1045 OE1 GLU A 67 3.322 1.545 -8.458 1.00 0.00 O ATOM 1046 OE2 GLU A 67 2.213 0.316 -7.027 1.00 0.00 O ATOM 0 H GLU A 67 3.473 5.827 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 67 0.863 4.786 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.467 3.874 -6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.959 2.910 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.844 2.346 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.436 3.243 -7.917 1.00 0.00 H new ATOM 1053 N ARG A 68 2.530 4.935 -3.251 1.00 0.00 N ATOM 1054 CA ARG A 68 2.381 4.835 -1.805 1.00 0.00 C ATOM 1055 C ARG A 68 1.153 5.619 -1.340 1.00 0.00 C ATOM 1056 O ARG A 68 0.398 5.164 -0.477 1.00 0.00 O ATOM 1057 CB ARG A 68 3.660 5.331 -1.118 1.00 0.00 C ATOM 1058 CG ARG A 68 3.445 6.322 0.012 1.00 0.00 C ATOM 1059 CD ARG A 68 4.742 7.021 0.368 1.00 0.00 C ATOM 1060 NE ARG A 68 4.805 8.374 -0.176 1.00 0.00 N ATOM 1061 CZ ARG A 68 4.432 9.466 0.484 1.00 0.00 C ATOM 1062 NH1 ARG A 68 4.002 9.388 1.737 1.00 0.00 N ATOM 1063 NH2 ARG A 68 4.515 10.645 -0.112 1.00 0.00 N ATOM 0 H ARG A 68 3.416 5.337 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 68 2.228 3.792 -1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.200 4.469 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.300 5.794 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.698 7.059 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.054 5.803 0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.845 7.062 1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.582 6.439 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 68 5.159 8.489 -1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.955 8.483 2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.719 10.233 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.863 10.709 -1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.231 11.489 0.386 1.00 0.00 H new ATOM 1077 N GLU A 69 0.943 6.781 -1.941 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.217 7.601 -1.625 1.00 0.00 C ATOM 1079 C GLU A 69 -1.477 6.987 -2.226 1.00 0.00 C ATOM 1080 O GLU A 69 -2.553 7.052 -1.636 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.016 9.019 -2.148 1.00 0.00 C ATOM 1082 CG GLU A 69 1.154 9.739 -1.504 1.00 0.00 C ATOM 1083 CD GLU A 69 0.954 11.236 -1.451 1.00 0.00 C ATOM 1084 OE1 GLU A 69 1.280 11.921 -2.447 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.462 11.740 -0.419 1.00 0.00 O ATOM 0 H GLU A 69 1.560 7.177 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.334 7.642 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.139 8.982 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.926 9.594 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.298 9.359 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.064 9.517 -2.061 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.330 6.363 -3.389 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.445 5.702 -4.059 1.00 0.00 C ATOM 1094 C ALA A 70 -2.829 4.413 -3.334 1.00 0.00 C ATOM 1095 O ALA A 70 -3.871 3.816 -3.607 1.00 0.00 O ATOM 1096 CB ALA A 70 -2.093 5.412 -5.510 1.00 0.00 C ATOM 0 H ALA A 70 -0.444 6.301 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.304 6.373 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.934 4.919 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.873 6.347 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.219 4.762 -5.549 1.00 0.00 H new ATOM 1102 N ILE A 71 -1.985 4.001 -2.402 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.242 2.832 -1.582 1.00 0.00 C ATOM 1104 C ILE A 71 -3.018 3.276 -0.353 1.00 0.00 C ATOM 1105 O ILE A 71 -3.970 2.623 0.081 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.921 2.116 -1.185 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.686 0.912 -2.096 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -0.923 1.673 0.270 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.661 0.927 -2.784 1.00 0.00 C ATOM 0 H ILE A 71 -1.103 4.469 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.828 2.109 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.111 2.835 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.774 -0.001 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.470 0.880 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.020 1.178 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.043 2.543 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.747 0.980 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.758 0.043 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.745 1.822 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.452 0.927 -2.034 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.623 4.428 0.176 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.349 5.064 1.258 1.00 0.00 C ATOM 1123 C LEU A 72 -4.739 5.450 0.774 1.00 0.00 C ATOM 1124 O LEU A 72 -5.699 5.459 1.547 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.599 6.306 1.741 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.743 6.121 2.997 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -2.580 6.333 4.248 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -1.087 4.745 3.016 1.00 0.00 C ATOM 0 H LEU A 72 -1.797 4.941 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.435 4.366 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.955 6.655 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.326 7.095 1.933 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.951 6.870 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.955 6.198 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.990 7.343 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.396 5.611 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.485 4.641 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.858 3.974 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.448 4.634 2.140 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.831 5.737 -0.522 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.098 6.111 -1.144 1.00 0.00 C ATOM 1142 C ALA A 73 -7.106 4.970 -1.059 1.00 0.00 C ATOM 1143 O ALA A 73 -8.286 5.192 -0.792 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.881 6.521 -2.593 1.00 0.00 C ATOM 0 H ALA A 73 -4.039 5.717 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.503 6.963 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.836 6.796 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.203 7.373 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.448 5.687 -3.146 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.635 3.748 -1.281 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.489 2.569 -1.178 1.00 0.00 C ATOM 1152 C ILE A 74 -7.998 2.411 0.249 1.00 0.00 C ATOM 1153 O ILE A 74 -9.179 2.160 0.489 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.732 1.286 -1.577 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.156 1.419 -2.986 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.647 0.073 -1.487 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -4.836 0.701 -3.164 1.00 0.00 C ATOM 0 H ILE A 74 -5.667 3.547 -1.533 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.325 2.713 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.906 1.145 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.876 1.025 -3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.021 2.476 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.094 -0.822 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.009 -0.035 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.494 0.206 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.483 0.836 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.102 1.111 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.970 -0.362 -2.964 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.094 2.587 1.198 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.410 2.388 2.604 1.00 0.00 C ATOM 1171 C HIS A 75 -8.348 3.468 3.117 1.00 0.00 C ATOM 1172 O HIS A 75 -8.959 3.302 4.162 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.101 2.303 3.415 1.00 0.00 C ATOM 1174 CG HIS A 75 -5.997 3.196 4.621 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.878 2.720 5.909 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.948 4.542 4.719 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.759 3.737 6.740 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.796 4.854 6.042 1.00 0.00 N ATOM 0 H HIS A 75 -6.130 2.869 1.020 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.944 1.446 2.727 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.969 1.272 3.742 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.271 2.534 2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.016 5.244 3.901 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.650 3.666 7.812 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.723 5.796 6.425 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.456 4.560 2.389 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.386 5.616 2.749 1.00 0.00 C ATOM 1189 C LYS A 76 -10.801 5.070 2.781 1.00 0.00 C ATOM 1190 O LYS A 76 -11.514 5.204 3.773 1.00 0.00 O ATOM 1191 CB LYS A 76 -9.298 6.767 1.751 1.00 0.00 C ATOM 1192 CG LYS A 76 -9.946 8.043 2.242 1.00 0.00 C ATOM 1193 CD LYS A 76 -8.925 9.154 2.358 1.00 0.00 C ATOM 1194 CE LYS A 76 -9.586 10.489 2.649 1.00 0.00 C ATOM 1195 NZ LYS A 76 -9.437 10.885 4.072 1.00 0.00 N ATOM 0 H LYS A 76 -7.913 4.742 1.545 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.122 5.990 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.250 6.964 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.772 6.465 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.738 8.341 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.413 7.869 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.216 8.917 3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.355 9.223 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.148 11.257 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.645 10.432 2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.902 11.802 4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.877 10.166 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.427 10.965 4.306 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.176 4.411 1.703 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.508 3.846 1.582 1.00 0.00 C ATOM 1211 C GLU A 77 -12.627 2.594 2.436 1.00 0.00 C ATOM 1212 O GLU A 77 -13.679 2.304 3.003 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.812 3.520 0.121 1.00 0.00 C ATOM 1214 CG GLU A 77 -13.684 4.559 -0.558 1.00 0.00 C ATOM 1215 CD GLU A 77 -12.983 5.891 -0.721 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -12.095 5.996 -1.590 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -13.329 6.843 0.012 1.00 0.00 O ATOM 0 H GLU A 77 -10.575 4.252 0.894 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.233 4.580 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.874 3.430 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.307 2.550 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.987 4.190 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.594 4.701 0.024 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.523 1.877 2.546 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.491 0.618 3.278 1.00 0.00 C ATOM 1226 C ALA A 78 -11.359 0.840 4.783 1.00 0.00 C ATOM 1227 O ALA A 78 -11.379 -0.114 5.563 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.353 -0.251 2.768 1.00 0.00 C ATOM 0 H ALA A 78 -10.629 2.146 2.135 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.439 0.108 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.337 -1.190 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.499 -0.457 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.406 0.270 2.909 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.201 2.091 5.190 1.00 0.00 N ATOM 1235 CA GLN A 79 -11.117 2.425 6.606 1.00 0.00 C ATOM 1236 C GLN A 79 -12.290 3.287 7.035 1.00 0.00 C ATOM 1237 O GLN A 79 -12.783 3.158 8.152 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.801 3.143 6.929 1.00 0.00 C ATOM 1239 CG GLN A 79 -9.249 2.777 8.287 1.00 0.00 C ATOM 1240 CD GLN A 79 -8.270 1.626 8.217 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -7.088 1.778 8.519 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.750 0.467 7.800 1.00 0.00 N ATOM 0 H GLN A 79 -11.128 2.891 4.562 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.149 1.488 7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.063 2.899 6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.961 4.220 6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.755 3.646 8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.071 2.512 8.952 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.737 0.381 7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.133 -0.341 7.720 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.745 4.143 6.134 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.823 5.085 6.433 1.00 0.00 C ATOM 1253 C ARG A 80 -15.074 4.373 6.932 1.00 0.00 C ATOM 1254 O ARG A 80 -15.822 4.919 7.737 1.00 0.00 O ATOM 1255 CB ARG A 80 -14.152 5.945 5.205 1.00 0.00 C ATOM 1256 CG ARG A 80 -14.866 5.198 4.086 1.00 0.00 C ATOM 1257 CD ARG A 80 -15.037 6.075 2.853 1.00 0.00 C ATOM 1258 NE ARG A 80 -15.612 7.378 3.183 1.00 0.00 N ATOM 1259 CZ ARG A 80 -15.094 8.549 2.803 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -14.067 8.595 1.958 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -15.637 9.678 3.237 1.00 0.00 N ATOM 0 H ARG A 80 -12.385 4.208 5.182 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.470 5.736 7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.773 6.783 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.226 6.365 4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.299 4.305 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.843 4.864 4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.069 6.217 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.679 5.567 2.133 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.466 7.394 3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.667 7.730 1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.680 9.495 1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.446 9.649 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.246 10.575 2.950 1.00 0.00 H new ATOM 1275 N ILE A 81 -15.291 3.147 6.474 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.433 2.364 6.921 1.00 0.00 C ATOM 1277 C ILE A 81 -16.284 1.987 8.399 1.00 0.00 C ATOM 1278 O ILE A 81 -17.256 1.982 9.149 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.618 1.087 6.070 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -15.314 0.292 5.994 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -17.096 1.442 4.671 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.302 -0.921 6.894 1.00 0.00 C ATOM 0 H ILE A 81 -14.693 2.675 5.796 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.320 2.985 6.797 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.374 0.467 6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -15.150 -0.026 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.483 0.944 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.220 0.530 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -18.050 1.965 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -16.361 2.085 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.349 -1.440 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.436 -0.607 7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.113 -1.592 6.611 1.00 0.00 H new ATOM 1294 N ALA A 82 -15.053 1.716 8.822 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.785 1.326 10.200 1.00 0.00 C ATOM 1296 C ALA A 82 -14.703 2.556 11.093 1.00 0.00 C ATOM 1297 O ALA A 82 -14.892 2.475 12.305 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.498 0.516 10.281 1.00 0.00 C ATOM 0 H ALA A 82 -14.225 1.760 8.228 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.606 0.701 10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.311 0.232 11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.594 -0.382 9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.666 1.117 9.914 1.00 0.00 H new ATOM 1304 N GLU A 83 -14.421 3.698 10.478 1.00 0.00 N ATOM 1305 CA GLU A 83 -14.383 4.959 11.199 1.00 0.00 C ATOM 1306 C GLU A 83 -15.800 5.502 11.391 1.00 0.00 C ATOM 1307 O GLU A 83 -16.049 6.323 12.272 1.00 0.00 O ATOM 1308 CB GLU A 83 -13.518 5.973 10.446 1.00 0.00 C ATOM 1309 CG GLU A 83 -12.123 5.457 10.111 1.00 0.00 C ATOM 1310 CD GLU A 83 -11.173 5.515 11.291 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -11.516 6.144 12.314 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -10.069 4.941 11.199 1.00 0.00 O ATOM 0 H GLU A 83 -14.216 3.774 9.482 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.942 4.789 12.181 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.024 6.254 9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.427 6.878 11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.196 4.427 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.711 6.044 9.290 1.00 0.00 H new ATOM 1319 N SER A 84 -16.726 5.033 10.560 1.00 0.00 N ATOM 1320 CA SER A 84 -18.122 5.442 10.666 1.00 0.00 C ATOM 1321 C SER A 84 -18.889 4.505 11.598 1.00 0.00 C ATOM 1322 O SER A 84 -19.670 4.952 12.439 1.00 0.00 O ATOM 1323 CB SER A 84 -18.779 5.471 9.283 1.00 0.00 C ATOM 1324 OG SER A 84 -17.985 6.196 8.360 1.00 0.00 O ATOM 0 H SER A 84 -16.535 4.371 9.808 1.00 0.00 H new ATOM 0 HA SER A 84 -18.152 6.447 11.086 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.923 4.452 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 84 -19.767 5.926 9.355 1.00 0.00 H new ATOM 0 HG SER A 84 -17.422 5.574 7.854 1.00 0.00 H new ATOM 1330 N ASN A 85 -18.663 3.205 11.453 1.00 0.00 N ATOM 1331 CA ASN A 85 -19.276 2.228 12.332 1.00 0.00 C ATOM 1332 C ASN A 85 -18.176 1.472 13.040 1.00 0.00 C ATOM 1333 O ASN A 85 -17.284 0.927 12.390 1.00 0.00 O ATOM 1334 CB ASN A 85 -20.172 1.232 11.580 1.00 0.00 C ATOM 1335 CG ASN A 85 -20.641 1.726 10.228 1.00 0.00 C ATOM 1336 OD1 ASN A 85 -21.649 2.431 10.122 1.00 0.00 O ATOM 1337 ND2 ASN A 85 -19.923 1.346 9.183 1.00 0.00 N ATOM 0 H ASN A 85 -18.059 2.807 10.734 1.00 0.00 H new ATOM 0 HA ASN A 85 -19.914 2.762 13.037 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -19.626 0.298 11.445 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -21.043 1.006 12.195 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -20.196 1.636 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -19.097 0.763 9.317 1.00 0.00 H new ATOM 1344 N HIS A 86 -18.233 1.441 14.360 1.00 0.00 N ATOM 1345 CA HIS A 86 -17.191 0.805 15.155 1.00 0.00 C ATOM 1346 C HIS A 86 -17.336 -0.713 15.100 1.00 0.00 C ATOM 1347 O HIS A 86 -17.611 -1.368 16.108 1.00 0.00 O ATOM 1348 CB HIS A 86 -17.239 1.305 16.601 1.00 0.00 C ATOM 1349 CG HIS A 86 -16.714 2.700 16.763 1.00 0.00 C ATOM 1350 ND1 HIS A 86 -15.541 2.994 17.417 1.00 0.00 N ATOM 1351 CD2 HIS A 86 -17.214 3.886 16.343 1.00 0.00 C ATOM 1352 CE1 HIS A 86 -15.339 4.297 17.392 1.00 0.00 C ATOM 1353 NE2 HIS A 86 -16.342 4.866 16.746 1.00 0.00 N ATOM 0 H HIS A 86 -18.991 1.849 14.907 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.221 1.072 14.737 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.269 1.268 16.957 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.659 0.630 17.231 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -18.131 4.034 15.792 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -14.495 4.813 17.827 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -16.450 5.866 16.576 1.00 0.00 H new ATOM 1362 N ILE A 87 -17.166 -1.253 13.903 1.00 0.00 N ATOM 1363 CA ILE A 87 -17.300 -2.683 13.671 1.00 0.00 C ATOM 1364 C ILE A 87 -15.965 -3.397 13.829 1.00 0.00 C ATOM 1365 O ILE A 87 -14.947 -2.781 14.156 1.00 0.00 O ATOM 1366 CB ILE A 87 -17.849 -2.968 12.257 1.00 0.00 C ATOM 1367 CG1 ILE A 87 -16.903 -2.413 11.187 1.00 0.00 C ATOM 1368 CG2 ILE A 87 -19.238 -2.375 12.094 1.00 0.00 C ATOM 1369 CD1 ILE A 87 -16.707 -3.343 10.010 1.00 0.00 C ATOM 0 H ILE A 87 -16.932 -0.715 13.068 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.001 -3.059 14.417 1.00 0.00 H new ATOM 0 HB ILE A 87 -17.917 -4.048 12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.294 -1.462 10.826 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -15.934 -2.207 11.642 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -19.608 -2.586 11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -19.911 -2.816 12.830 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -19.193 -1.296 12.245 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.026 -2.884 9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -16.286 -4.286 10.358 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -17.668 -3.529 9.530 1.00 0.00 H new ATOM 1381 N LYS A 88 -15.978 -4.698 13.587 1.00 0.00 N ATOM 1382 CA LYS A 88 -14.774 -5.499 13.590 1.00 0.00 C ATOM 1383 C LYS A 88 -14.598 -6.122 12.218 1.00 0.00 C ATOM 1384 O LYS A 88 -15.173 -7.170 11.917 1.00 0.00 O ATOM 1385 CB LYS A 88 -14.840 -6.583 14.667 1.00 0.00 C ATOM 1386 CG LYS A 88 -13.565 -6.707 15.487 1.00 0.00 C ATOM 1387 CD LYS A 88 -13.671 -5.943 16.798 1.00 0.00 C ATOM 1388 CE LYS A 88 -13.125 -6.753 17.963 1.00 0.00 C ATOM 1389 NZ LYS A 88 -13.766 -6.376 19.251 1.00 0.00 N ATOM 0 H LYS A 88 -16.827 -5.225 13.383 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.919 -4.863 13.818 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.673 -6.368 15.336 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.052 -7.542 14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.364 -7.758 15.692 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.721 -6.328 14.910 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.123 -5.004 16.718 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.714 -5.688 16.988 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.287 -7.814 17.774 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.048 -6.603 18.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.366 -6.951 20.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.590 -5.369 19.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.791 -6.543 19.191 1.00 0.00 H new ATOM 1403 N LEU A 89 -13.857 -5.424 11.377 1.00 0.00 N ATOM 1404 CA LEU A 89 -13.543 -5.881 10.024 1.00 0.00 C ATOM 1405 C LEU A 89 -12.880 -7.262 10.024 1.00 0.00 C ATOM 1406 O LEU A 89 -12.615 -7.838 11.082 1.00 0.00 O ATOM 1407 CB LEU A 89 -12.615 -4.875 9.341 1.00 0.00 C ATOM 1408 CG LEU A 89 -13.289 -3.935 8.342 1.00 0.00 C ATOM 1409 CD1 LEU A 89 -12.314 -2.858 7.891 1.00 0.00 C ATOM 1410 CD2 LEU A 89 -13.816 -4.719 7.147 1.00 0.00 C ATOM 0 H LEU A 89 -13.451 -4.518 11.609 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.483 -5.959 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.130 -4.273 10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.829 -5.425 8.823 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.134 -3.451 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.807 -2.196 7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.984 -2.281 8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.452 -3.324 7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.293 -4.035 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.989 -5.228 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.544 -5.456 7.487 1.00 0.00 H new ATOM 1422 N SER A 90 -12.623 -7.784 8.829 1.00 0.00 N ATOM 1423 CA SER A 90 -11.936 -9.058 8.670 1.00 0.00 C ATOM 1424 C SER A 90 -10.501 -8.962 9.190 1.00 0.00 C ATOM 1425 O SER A 90 -9.569 -8.681 8.432 1.00 0.00 O ATOM 1426 CB SER A 90 -11.945 -9.446 7.190 1.00 0.00 C ATOM 1427 OG SER A 90 -12.685 -8.502 6.426 1.00 0.00 O ATOM 0 H SER A 90 -12.884 -7.338 7.949 1.00 0.00 H new ATOM 0 HA SER A 90 -12.452 -9.824 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.922 -9.501 6.817 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.381 -10.438 7.072 1.00 0.00 H new ATOM 0 HG SER A 90 -12.281 -8.411 5.538 1.00 0.00 H new ATOM 1433 N GLY A 91 -10.332 -9.197 10.488 1.00 0.00 N ATOM 1434 CA GLY A 91 -9.049 -8.978 11.125 1.00 0.00 C ATOM 1435 C GLY A 91 -8.668 -7.512 11.085 1.00 0.00 C ATOM 1436 O GLY A 91 -9.539 -6.640 11.058 1.00 0.00 O ATOM 0 H GLY A 91 -11.065 -9.537 11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.089 -9.319 12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.284 -9.570 10.624 1.00 0.00 H new ATOM 1440 N SER A 92 -7.377 -7.232 11.099 1.00 0.00 N ATOM 1441 CA SER A 92 -6.900 -5.878 10.873 1.00 0.00 C ATOM 1442 C SER A 92 -6.830 -5.627 9.369 1.00 0.00 C ATOM 1443 O SER A 92 -6.994 -4.503 8.895 1.00 0.00 O ATOM 1444 CB SER A 92 -5.531 -5.701 11.525 1.00 0.00 C ATOM 1445 OG SER A 92 -5.312 -6.698 12.515 1.00 0.00 O ATOM 0 H SER A 92 -6.642 -7.920 11.264 1.00 0.00 H new ATOM 0 HA SER A 92 -7.582 -5.155 11.320 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.751 -5.758 10.766 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.463 -4.712 11.977 1.00 0.00 H new ATOM 0 HG SER A 92 -4.429 -6.569 12.920 1.00 0.00 H new ATOM 1451 N ASN A 93 -6.599 -6.714 8.639 1.00 0.00 N ATOM 1452 CA ASN A 93 -6.591 -6.722 7.183 1.00 0.00 C ATOM 1453 C ASN A 93 -6.320 -8.140 6.716 1.00 0.00 C ATOM 1454 O ASN A 93 -5.257 -8.697 6.989 1.00 0.00 O ATOM 1455 CB ASN A 93 -5.532 -5.781 6.616 1.00 0.00 C ATOM 1456 CG ASN A 93 -6.050 -4.940 5.459 1.00 0.00 C ATOM 1457 OD1 ASN A 93 -6.941 -5.353 4.716 1.00 0.00 O ATOM 1458 ND2 ASN A 93 -5.481 -3.754 5.293 1.00 0.00 N ATOM 0 H ASN A 93 -6.409 -7.628 9.051 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.560 -6.373 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.177 -5.122 7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.676 -6.365 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.779 -3.148 4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.746 -3.447 5.930 1.00 0.00 H new ATOM 1465 N PRO A 94 -7.277 -8.744 6.010 1.00 0.00 N ATOM 1466 CA PRO A 94 -7.207 -10.161 5.648 1.00 0.00 C ATOM 1467 C PRO A 94 -6.144 -10.446 4.595 1.00 0.00 C ATOM 1468 O PRO A 94 -5.527 -11.512 4.592 1.00 0.00 O ATOM 1469 CB PRO A 94 -8.605 -10.447 5.093 1.00 0.00 C ATOM 1470 CG PRO A 94 -9.080 -9.132 4.580 1.00 0.00 C ATOM 1471 CD PRO A 94 -8.498 -8.099 5.501 1.00 0.00 C ATOM 0 HA PRO A 94 -6.930 -10.786 6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.572 -11.194 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.268 -10.834 5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.751 -8.971 3.554 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.169 -9.084 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.273 -7.172 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.186 -7.847 6.308 1.00 0.00 H new ATOM 1479 N TYR A 95 -5.911 -9.481 3.717 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.019 -9.701 2.586 1.00 0.00 C ATOM 1481 C TYR A 95 -3.706 -8.955 2.780 1.00 0.00 C ATOM 1482 O TYR A 95 -2.632 -9.470 2.469 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.671 -9.263 1.264 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.126 -9.657 1.089 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.639 -10.823 1.646 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.990 -8.856 0.357 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -8.967 -11.169 1.483 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.314 -9.196 0.189 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.800 -10.353 0.754 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.122 -10.694 0.589 1.00 0.00 O ATOM 0 H TYR A 95 -6.321 -8.548 3.764 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.818 -10.771 2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.595 -8.179 1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.097 -9.685 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.988 -11.470 2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.617 -7.947 -0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.349 -12.077 1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.969 -8.557 -0.384 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.665 -10.237 1.265 1.00 0.00 H new ATOM 1500 N THR A 96 -3.793 -7.745 3.308 1.00 0.00 N ATOM 1501 CA THR A 96 -2.621 -6.897 3.444 1.00 0.00 C ATOM 1502 C THR A 96 -2.457 -6.415 4.880 1.00 0.00 C ATOM 1503 O THR A 96 -2.941 -5.348 5.252 1.00 0.00 O ATOM 1504 CB THR A 96 -2.681 -5.698 2.470 1.00 0.00 C ATOM 1505 OG1 THR A 96 -1.745 -4.685 2.854 1.00 0.00 O ATOM 1506 CG2 THR A 96 -4.081 -5.103 2.407 1.00 0.00 C ATOM 0 H THR A 96 -4.660 -7.329 3.648 1.00 0.00 H new ATOM 0 HA THR A 96 -1.749 -7.498 3.185 1.00 0.00 H new ATOM 0 HB THR A 96 -2.419 -6.071 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.025 -3.823 2.481 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.088 -4.262 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.784 -5.862 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.375 -4.758 3.398 1.00 0.00 H new ATOM 1514 N THR A 97 -1.760 -7.211 5.679 1.00 0.00 N ATOM 1515 CA THR A 97 -1.535 -6.906 7.086 1.00 0.00 C ATOM 1516 C THR A 97 -0.775 -5.585 7.259 1.00 0.00 C ATOM 1517 O THR A 97 -0.851 -4.933 8.305 1.00 0.00 O ATOM 1518 CB THR A 97 -0.749 -8.053 7.753 1.00 0.00 C ATOM 1519 OG1 THR A 97 -1.452 -9.292 7.572 1.00 0.00 O ATOM 1520 CG2 THR A 97 -0.541 -7.790 9.230 1.00 0.00 C ATOM 0 H THR A 97 -1.335 -8.086 5.371 1.00 0.00 H new ATOM 0 HA THR A 97 -2.508 -6.801 7.567 1.00 0.00 H new ATOM 0 HB THR A 97 0.231 -8.115 7.279 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.949 -10.019 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.016 -8.616 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.020 -6.864 9.359 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.509 -7.700 9.723 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.031 -5.215 6.228 1.00 0.00 N ATOM 1529 CA VAL A 98 0.704 -3.955 6.206 1.00 0.00 C ATOM 1530 C VAL A 98 -0.237 -2.773 6.465 1.00 0.00 C ATOM 1531 O VAL A 98 -1.297 -2.646 5.845 1.00 0.00 O ATOM 1532 CB VAL A 98 1.482 -3.772 4.865 1.00 0.00 C ATOM 1533 CG1 VAL A 98 1.237 -4.943 3.921 1.00 0.00 C ATOM 1534 CG2 VAL A 98 1.139 -2.461 4.170 1.00 0.00 C ATOM 0 H VAL A 98 0.082 -5.776 5.384 1.00 0.00 H new ATOM 0 HA VAL A 98 1.441 -3.984 7.009 1.00 0.00 H new ATOM 0 HB VAL A 98 2.540 -3.742 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.792 -4.787 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.571 -5.867 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.172 -5.014 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.706 -2.382 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.072 -2.436 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.393 -1.626 4.823 1.00 0.00 H new ATOM 1544 N THR A 99 0.143 -1.939 7.421 1.00 0.00 N ATOM 1545 CA THR A 99 -0.633 -0.761 7.774 1.00 0.00 C ATOM 1546 C THR A 99 -0.050 0.481 7.100 1.00 0.00 C ATOM 1547 O THR A 99 1.110 0.473 6.683 1.00 0.00 O ATOM 1548 CB THR A 99 -0.637 -0.565 9.304 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.319 -1.448 9.907 1.00 0.00 O ATOM 1550 CG2 THR A 99 -2.013 -0.839 9.886 1.00 0.00 C ATOM 0 H THR A 99 0.993 -2.059 7.971 1.00 0.00 H new ATOM 0 HA THR A 99 -1.656 -0.906 7.428 1.00 0.00 H new ATOM 0 HB THR A 99 -0.371 0.471 9.515 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.281 -1.354 10.882 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.987 -0.693 10.966 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.738 -0.154 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.303 -1.866 9.665 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.847 1.561 6.977 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.397 2.821 6.370 1.00 0.00 C ATOM 1560 C PRO A 100 0.888 3.346 7.004 1.00 0.00 C ATOM 1561 O PRO A 100 1.791 3.809 6.311 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.556 3.794 6.637 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.430 3.111 7.636 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.252 1.644 7.398 1.00 0.00 C ATOM 0 HA PRO A 100 -0.166 2.695 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.189 4.745 7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.104 4.012 5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.145 3.380 8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.472 3.404 7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.441 1.060 8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.929 1.272 6.629 1.00 0.00 H new ATOM 1572 N GLN A 101 0.971 3.246 8.326 1.00 0.00 N ATOM 1573 CA GLN A 101 2.139 3.723 9.054 1.00 0.00 C ATOM 1574 C GLN A 101 3.337 2.836 8.769 1.00 0.00 C ATOM 1575 O GLN A 101 4.459 3.318 8.651 1.00 0.00 O ATOM 1576 CB GLN A 101 1.857 3.755 10.559 1.00 0.00 C ATOM 1577 CG GLN A 101 1.039 4.959 11.001 1.00 0.00 C ATOM 1578 CD GLN A 101 1.726 6.274 10.691 1.00 0.00 C ATOM 1579 OE1 GLN A 101 2.949 6.386 10.779 1.00 0.00 O ATOM 1580 NE2 GLN A 101 0.948 7.281 10.334 1.00 0.00 N ATOM 0 H GLN A 101 0.244 2.839 8.914 1.00 0.00 H new ATOM 0 HA GLN A 101 2.362 4.736 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.328 2.844 10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.805 3.753 11.098 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.068 4.935 10.507 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.853 4.894 12.073 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.061 7.149 10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.357 8.191 10.120 1.00 0.00 H new ATOM 1589 N ILE A 102 3.089 1.540 8.634 1.00 0.00 N ATOM 1590 CA ILE A 102 4.148 0.587 8.348 1.00 0.00 C ATOM 1591 C ILE A 102 4.795 0.902 6.999 1.00 0.00 C ATOM 1592 O ILE A 102 6.017 0.906 6.873 1.00 0.00 O ATOM 1593 CB ILE A 102 3.606 -0.869 8.386 1.00 0.00 C ATOM 1594 CG1 ILE A 102 4.071 -1.569 9.665 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.032 -1.676 7.158 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.401 -1.054 10.917 1.00 0.00 C ATOM 0 H ILE A 102 2.161 1.126 8.719 1.00 0.00 H new ATOM 0 HA ILE A 102 4.912 0.675 9.120 1.00 0.00 H new ATOM 0 HB ILE A 102 2.517 -0.813 8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.879 -2.638 9.574 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.150 -1.447 9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.630 -2.687 7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.650 -1.196 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.120 -1.721 7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.781 -1.597 11.783 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.614 0.009 11.033 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.324 -1.201 10.840 1.00 0.00 H new ATOM 1608 N ILE A 103 3.970 1.213 6.005 1.00 0.00 N ATOM 1609 CA ILE A 103 4.475 1.484 4.668 1.00 0.00 C ATOM 1610 C ILE A 103 5.041 2.906 4.563 1.00 0.00 C ATOM 1611 O ILE A 103 6.034 3.132 3.876 1.00 0.00 O ATOM 1612 CB ILE A 103 3.394 1.233 3.583 1.00 0.00 C ATOM 1613 CG1 ILE A 103 4.048 0.726 2.300 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.566 2.483 3.299 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.469 -0.578 1.799 1.00 0.00 C ATOM 0 H ILE A 103 2.957 1.283 6.100 1.00 0.00 H new ATOM 0 HA ILE A 103 5.290 0.784 4.485 1.00 0.00 H new ATOM 0 HB ILE A 103 2.712 0.474 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.941 1.483 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.116 0.597 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.822 2.261 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.063 2.801 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.220 3.281 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.982 -0.877 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.600 -1.350 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.406 -0.449 1.593 1.00 0.00 H new ATOM 1627 N ASN A 104 4.434 3.851 5.268 1.00 0.00 N ATOM 1628 CA ASN A 104 4.892 5.236 5.213 1.00 0.00 C ATOM 1629 C ASN A 104 6.217 5.401 5.953 1.00 0.00 C ATOM 1630 O ASN A 104 7.133 6.059 5.457 1.00 0.00 O ATOM 1631 CB ASN A 104 3.839 6.186 5.789 1.00 0.00 C ATOM 1632 CG ASN A 104 3.306 7.153 4.744 1.00 0.00 C ATOM 1633 OD1 ASN A 104 3.930 7.374 3.704 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.147 7.735 5.009 1.00 0.00 N ATOM 0 H ASN A 104 3.633 3.689 5.878 1.00 0.00 H new ATOM 0 HA ASN A 104 5.048 5.493 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.013 5.605 6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.273 6.749 6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 104 1.741 8.391 4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.659 7.527 5.881 1.00 0.00 H new ATOM 1641 N SER A 105 6.319 4.797 7.134 1.00 0.00 N ATOM 1642 CA SER A 105 7.569 4.832 7.892 1.00 0.00 C ATOM 1643 C SER A 105 8.689 4.113 7.137 1.00 0.00 C ATOM 1644 O SER A 105 9.854 4.508 7.215 1.00 0.00 O ATOM 1645 CB SER A 105 7.375 4.212 9.280 1.00 0.00 C ATOM 1646 OG SER A 105 6.248 4.777 9.933 1.00 0.00 O ATOM 0 H SER A 105 5.562 4.283 7.584 1.00 0.00 H new ATOM 0 HA SER A 105 7.859 5.876 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.244 3.134 9.186 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.269 4.373 9.883 1.00 0.00 H new ATOM 0 HG SER A 105 5.429 4.361 9.591 1.00 0.00 H new ATOM 1652 N LYS A 106 8.333 3.068 6.392 1.00 0.00 N ATOM 1653 CA LYS A 106 9.304 2.347 5.580 1.00 0.00 C ATOM 1654 C LYS A 106 9.864 3.247 4.490 1.00 0.00 C ATOM 1655 O LYS A 106 11.075 3.288 4.264 1.00 0.00 O ATOM 1656 CB LYS A 106 8.665 1.106 4.955 1.00 0.00 C ATOM 1657 CG LYS A 106 9.210 -0.198 5.509 1.00 0.00 C ATOM 1658 CD LYS A 106 8.091 -1.178 5.817 1.00 0.00 C ATOM 1659 CE LYS A 106 8.397 -2.557 5.267 1.00 0.00 C ATOM 1660 NZ LYS A 106 8.489 -3.572 6.343 1.00 0.00 N ATOM 0 H LYS A 106 7.382 2.705 6.336 1.00 0.00 H new ATOM 0 HA LYS A 106 10.122 2.033 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.588 1.140 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.824 1.129 3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.897 -0.642 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.782 0.000 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.945 -1.239 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.157 -0.813 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.620 -2.847 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.336 -2.527 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.699 -4.501 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.248 -3.309 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.585 -3.619 6.855 1.00 0.00 H new ATOM 1674 N TRP A 107 8.977 3.977 3.824 1.00 0.00 N ATOM 1675 CA TRP A 107 9.378 4.928 2.796 1.00 0.00 C ATOM 1676 C TRP A 107 10.288 5.989 3.389 1.00 0.00 C ATOM 1677 O TRP A 107 11.287 6.376 2.783 1.00 0.00 O ATOM 1678 CB TRP A 107 8.148 5.585 2.169 1.00 0.00 C ATOM 1679 CG TRP A 107 8.474 6.521 1.044 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.637 7.876 1.113 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.681 6.162 -0.320 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.936 8.376 -0.131 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.965 7.343 -1.029 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.649 4.956 -1.009 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.224 7.345 -2.396 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.902 4.956 -2.365 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.184 6.148 -3.045 1.00 0.00 C ATOM 0 H TRP A 107 7.970 3.927 3.979 1.00 0.00 H new ATOM 0 HA TRP A 107 9.922 4.390 2.020 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.479 4.807 1.801 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.606 6.132 2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.544 8.466 2.013 1.00 0.00 H new ATOM 0 HE1 TRP A 107 9.108 9.357 -0.350 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.430 4.034 -0.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.448 8.261 -2.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.882 4.024 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.374 6.117 -4.108 1.00 0.00 H new ATOM 1698 N GLU A 108 9.942 6.444 4.586 1.00 0.00 N ATOM 1699 CA GLU A 108 10.719 7.455 5.277 1.00 0.00 C ATOM 1700 C GLU A 108 12.131 6.944 5.552 1.00 0.00 C ATOM 1701 O GLU A 108 13.110 7.681 5.418 1.00 0.00 O ATOM 1702 CB GLU A 108 10.028 7.828 6.583 1.00 0.00 C ATOM 1703 CG GLU A 108 9.320 9.170 6.533 1.00 0.00 C ATOM 1704 CD GLU A 108 10.176 10.300 7.059 1.00 0.00 C ATOM 1705 OE1 GLU A 108 11.416 10.199 6.984 1.00 0.00 O ATOM 1706 OE2 GLU A 108 9.614 11.300 7.553 1.00 0.00 O ATOM 0 H GLU A 108 9.121 6.123 5.099 1.00 0.00 H new ATOM 0 HA GLU A 108 10.791 8.341 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.304 7.054 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.767 7.846 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.032 9.386 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.401 9.114 7.116 1.00 0.00 H new ATOM 1713 N LYS A 109 12.226 5.673 5.929 1.00 0.00 N ATOM 1714 CA LYS A 109 13.515 5.035 6.162 1.00 0.00 C ATOM 1715 C LYS A 109 14.308 4.957 4.864 1.00 0.00 C ATOM 1716 O LYS A 109 15.506 5.230 4.842 1.00 0.00 O ATOM 1717 CB LYS A 109 13.319 3.632 6.741 1.00 0.00 C ATOM 1718 CG LYS A 109 14.291 3.294 7.858 1.00 0.00 C ATOM 1719 CD LYS A 109 13.925 4.013 9.144 1.00 0.00 C ATOM 1720 CE LYS A 109 15.135 4.697 9.762 1.00 0.00 C ATOM 1721 NZ LYS A 109 16.126 3.716 10.277 1.00 0.00 N ATOM 0 H LYS A 109 11.422 5.063 6.080 1.00 0.00 H new ATOM 0 HA LYS A 109 14.073 5.636 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.300 3.543 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.428 2.899 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.292 2.217 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.302 3.571 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.151 4.753 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.506 3.300 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.610 5.336 9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 109 14.809 5.345 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 16.935 4.223 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.681 3.123 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.457 3.114 9.496 1.00 0.00 H new ATOM 1735 N VAL A 110 13.627 4.584 3.787 1.00 0.00 N ATOM 1736 CA VAL A 110 14.247 4.527 2.468 1.00 0.00 C ATOM 1737 C VAL A 110 14.789 5.901 2.075 1.00 0.00 C ATOM 1738 O VAL A 110 15.943 6.031 1.671 1.00 0.00 O ATOM 1739 CB VAL A 110 13.238 4.036 1.404 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.755 4.284 -0.008 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.930 2.560 1.606 1.00 0.00 C ATOM 0 H VAL A 110 12.643 4.316 3.801 1.00 0.00 H new ATOM 0 HA VAL A 110 15.073 3.818 2.515 1.00 0.00 H new ATOM 0 HB VAL A 110 12.318 4.607 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.022 3.927 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.919 5.352 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.695 3.750 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.218 2.230 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.849 1.981 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.501 2.410 2.597 1.00 0.00 H new ATOM 1751 N GLN A 111 13.951 6.925 2.230 1.00 0.00 N ATOM 1752 CA GLN A 111 14.317 8.295 1.877 1.00 0.00 C ATOM 1753 C GLN A 111 15.577 8.746 2.598 1.00 0.00 C ATOM 1754 O GLN A 111 16.505 9.262 1.980 1.00 0.00 O ATOM 1755 CB GLN A 111 13.182 9.254 2.224 1.00 0.00 C ATOM 1756 CG GLN A 111 11.990 9.119 1.308 1.00 0.00 C ATOM 1757 CD GLN A 111 12.215 9.782 -0.036 1.00 0.00 C ATOM 1758 OE1 GLN A 111 12.784 10.869 -0.120 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.770 9.133 -1.097 1.00 0.00 N ATOM 0 H GLN A 111 13.006 6.829 2.601 1.00 0.00 H new ATOM 0 HA GLN A 111 14.505 8.309 0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.865 9.075 3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.553 10.278 2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.770 8.062 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.116 9.561 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.303 8.233 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.894 9.532 -2.028 1.00 0.00 H new ATOM 1768 N GLN A 112 15.603 8.536 3.901 1.00 0.00 N ATOM 1769 CA GLN A 112 16.706 9.020 4.733 1.00 0.00 C ATOM 1770 C GLN A 112 17.987 8.224 4.491 1.00 0.00 C ATOM 1771 O GLN A 112 19.079 8.658 4.862 1.00 0.00 O ATOM 1772 CB GLN A 112 16.317 8.976 6.216 1.00 0.00 C ATOM 1773 CG GLN A 112 16.153 7.571 6.772 1.00 0.00 C ATOM 1774 CD GLN A 112 17.221 7.223 7.787 1.00 0.00 C ATOM 1775 OE1 GLN A 112 17.109 7.565 8.964 1.00 0.00 O ATOM 1776 NE2 GLN A 112 18.258 6.535 7.341 1.00 0.00 N ATOM 0 H GLN A 112 14.877 8.035 4.412 1.00 0.00 H new ATOM 0 HA GLN A 112 16.904 10.054 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 112 17.078 9.498 6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.383 9.521 6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.171 7.479 7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 112 16.187 6.853 5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 112 18.310 6.272 6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 112 19.006 6.267 7.981 1.00 0.00 H new ATOM 1785 N LEU A 113 17.857 7.062 3.864 1.00 0.00 N ATOM 1786 CA LEU A 113 19.012 6.227 3.564 1.00 0.00 C ATOM 1787 C LEU A 113 19.569 6.554 2.183 1.00 0.00 C ATOM 1788 O LEU A 113 20.694 6.174 1.849 1.00 0.00 O ATOM 1789 CB LEU A 113 18.638 4.746 3.638 1.00 0.00 C ATOM 1790 CG LEU A 113 18.897 4.081 4.991 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.816 3.055 5.291 1.00 0.00 C ATOM 1792 CD2 LEU A 113 20.275 3.435 5.013 1.00 0.00 C ATOM 0 H LEU A 113 16.965 6.677 3.554 1.00 0.00 H new ATOM 0 HA LEU A 113 19.781 6.434 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.581 4.641 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.196 4.207 2.872 1.00 0.00 H new ATOM 0 HG LEU A 113 18.868 4.847 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 113 18.014 2.590 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.844 3.548 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.814 2.291 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.442 2.967 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.335 2.679 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 113 21.036 4.196 4.842 1.00 0.00 H new ATOM 1804 N VAL A 114 18.780 7.275 1.389 1.00 0.00 N ATOM 1805 CA VAL A 114 19.177 7.633 0.032 1.00 0.00 C ATOM 1806 C VAL A 114 20.456 8.482 0.025 1.00 0.00 C ATOM 1807 O VAL A 114 21.442 8.080 -0.593 1.00 0.00 O ATOM 1808 CB VAL A 114 18.049 8.369 -0.735 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.577 8.980 -2.030 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.894 7.424 -1.026 1.00 0.00 C ATOM 0 H VAL A 114 17.861 7.622 1.664 1.00 0.00 H new ATOM 0 HA VAL A 114 19.377 6.694 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 114 17.684 9.178 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.766 9.490 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.367 9.695 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.976 8.192 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.112 7.960 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.249 6.592 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.491 7.042 -0.088 1.00 0.00 H new ATOM 1820 N PRO A 115 20.480 9.650 0.716 1.00 0.00 N ATOM 1821 CA PRO A 115 21.658 10.528 0.728 1.00 0.00 C ATOM 1822 C PRO A 115 22.872 9.867 1.372 1.00 0.00 C ATOM 1823 O PRO A 115 24.009 10.156 1.006 1.00 0.00 O ATOM 1824 CB PRO A 115 21.210 11.743 1.548 1.00 0.00 C ATOM 1825 CG PRO A 115 20.052 11.266 2.352 1.00 0.00 C ATOM 1826 CD PRO A 115 19.378 10.214 1.521 1.00 0.00 C ATOM 0 HA PRO A 115 21.975 10.782 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 115 22.014 12.103 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 115 20.925 12.572 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.382 10.857 3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.368 12.085 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 115 18.905 9.454 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.598 10.640 0.890 1.00 0.00 H new ATOM 1834 N LYS A 116 22.628 8.974 2.325 1.00 0.00 N ATOM 1835 CA LYS A 116 23.705 8.258 2.993 1.00 0.00 C ATOM 1836 C LYS A 116 24.447 7.369 2.001 1.00 0.00 C ATOM 1837 O LYS A 116 25.668 7.457 1.859 1.00 0.00 O ATOM 1838 CB LYS A 116 23.152 7.411 4.145 1.00 0.00 C ATOM 1839 CG LYS A 116 24.223 6.922 5.106 1.00 0.00 C ATOM 1840 CD LYS A 116 24.080 7.568 6.476 1.00 0.00 C ATOM 1841 CE LYS A 116 25.424 8.035 7.014 1.00 0.00 C ATOM 1842 NZ LYS A 116 25.506 9.518 7.083 1.00 0.00 N ATOM 0 H LYS A 116 21.693 8.730 2.651 1.00 0.00 H new ATOM 0 HA LYS A 116 24.403 8.990 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.419 7.999 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 116 22.625 6.551 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 116 24.157 5.838 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 116 25.209 7.146 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.398 8.416 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 116 23.636 6.855 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 116 25.583 7.616 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 116 26.222 7.656 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 26.436 9.797 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 25.379 9.917 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.760 9.878 7.712 1.00 0.00 H new ATOM 1856 N ARG A 117 23.696 6.529 1.298 1.00 0.00 N ATOM 1857 CA ARG A 117 24.276 5.638 0.303 1.00 0.00 C ATOM 1858 C ARG A 117 24.782 6.435 -0.894 1.00 0.00 C ATOM 1859 O ARG A 117 25.788 6.076 -1.502 1.00 0.00 O ATOM 1860 CB ARG A 117 23.245 4.576 -0.112 1.00 0.00 C ATOM 1861 CG ARG A 117 23.465 3.985 -1.496 1.00 0.00 C ATOM 1862 CD ARG A 117 24.249 2.679 -1.441 1.00 0.00 C ATOM 1863 NE ARG A 117 24.477 2.132 -2.782 1.00 0.00 N ATOM 1864 CZ ARG A 117 24.006 0.955 -3.197 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.399 0.144 -2.350 1.00 0.00 N ATOM 1866 NH2 ARG A 117 24.170 0.571 -4.459 1.00 0.00 N ATOM 0 H ARG A 117 22.684 6.447 1.399 1.00 0.00 H new ATOM 0 HA ARG A 117 25.133 5.122 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 117 23.260 3.768 0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.250 5.021 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.501 3.809 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.001 4.704 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.207 2.849 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 117 23.705 1.952 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 117 25.029 2.685 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 117 23.288 0.416 -1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 117 23.041 -0.755 -2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 117 24.659 1.178 -5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 117 23.807 -0.330 -4.769 1.00 0.00 H new ATOM 1880 N ASP A 118 24.099 7.529 -1.199 1.00 0.00 N ATOM 1881 CA ASP A 118 24.507 8.415 -2.285 1.00 0.00 C ATOM 1882 C ASP A 118 25.879 9.004 -1.984 1.00 0.00 C ATOM 1883 O ASP A 118 26.702 9.193 -2.883 1.00 0.00 O ATOM 1884 CB ASP A 118 23.488 9.544 -2.455 1.00 0.00 C ATOM 1885 CG ASP A 118 22.826 9.555 -3.819 1.00 0.00 C ATOM 1886 OD1 ASP A 118 23.525 9.762 -4.827 1.00 0.00 O ATOM 1887 OD2 ASP A 118 21.591 9.360 -3.881 1.00 0.00 O ATOM 0 H ASP A 118 23.256 7.827 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 118 24.557 7.839 -3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.720 9.450 -1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 118 23.985 10.500 -2.293 1.00 0.00 H new ATOM 1892 N HIS A 119 26.129 9.254 -0.706 1.00 0.00 N ATOM 1893 CA HIS A 119 27.379 9.865 -0.276 1.00 0.00 C ATOM 1894 C HIS A 119 28.496 8.837 -0.309 1.00 0.00 C ATOM 1895 O HIS A 119 29.592 9.111 -0.804 1.00 0.00 O ATOM 1896 CB HIS A 119 27.238 10.445 1.137 1.00 0.00 C ATOM 1897 CG HIS A 119 28.176 11.581 1.431 1.00 0.00 C ATOM 1898 ND1 HIS A 119 27.844 12.638 2.249 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.444 11.818 1.018 1.00 0.00 C ATOM 1900 CE1 HIS A 119 28.860 13.475 2.325 1.00 0.00 C ATOM 1901 NE2 HIS A 119 29.846 13.002 1.586 1.00 0.00 N ATOM 0 H HIS A 119 25.481 9.042 0.053 1.00 0.00 H new ATOM 0 HA HIS A 119 27.622 10.678 -0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.213 10.789 1.276 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.409 9.650 1.863 1.00 0.00 H new ATOM 0 HD2 HIS A 119 30.031 11.191 0.363 1.00 0.00 H new ATOM 0 HE1 HIS A 119 28.882 14.392 2.895 1.00 0.00 H new ATOM 0 HE2 HIS A 119 30.757 13.443 1.458 1.00 0.00 H new ATOM 1910 N ALA A 120 28.202 7.651 0.204 1.00 0.00 N ATOM 1911 CA ALA A 120 29.167 6.565 0.243 1.00 0.00 C ATOM 1912 C ALA A 120 29.624 6.187 -1.163 1.00 0.00 C ATOM 1913 O ALA A 120 30.807 5.931 -1.389 1.00 0.00 O ATOM 1914 CB ALA A 120 28.576 5.359 0.953 1.00 0.00 C ATOM 0 H ALA A 120 27.293 7.416 0.602 1.00 0.00 H new ATOM 0 HA ALA A 120 30.040 6.906 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.310 4.554 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.308 5.633 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.685 5.024 0.421 1.00 0.00 H new ATOM 1920 N LEU A 121 28.682 6.173 -2.101 1.00 0.00 N ATOM 1921 CA LEU A 121 28.983 5.804 -3.479 1.00 0.00 C ATOM 1922 C LEU A 121 29.903 6.827 -4.123 1.00 0.00 C ATOM 1923 O LEU A 121 30.942 6.479 -4.687 1.00 0.00 O ATOM 1924 CB LEU A 121 27.696 5.695 -4.297 1.00 0.00 C ATOM 1925 CG LEU A 121 26.784 4.529 -3.934 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.362 4.829 -4.366 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.277 3.239 -4.570 1.00 0.00 C ATOM 0 H LEU A 121 27.705 6.413 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 121 29.484 4.836 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.134 6.622 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 121 27.962 5.611 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 121 26.802 4.397 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.717 3.991 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 121 25.011 5.729 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.334 4.983 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.611 2.421 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.290 3.350 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.284 3.020 -4.215 1.00 0.00 H new ATOM 1939 N LEU A 122 29.512 8.091 -4.027 1.00 0.00 N ATOM 1940 CA LEU A 122 30.283 9.174 -4.618 1.00 0.00 C ATOM 1941 C LEU A 122 31.678 9.252 -4.015 1.00 0.00 C ATOM 1942 O LEU A 122 32.657 9.402 -4.738 1.00 0.00 O ATOM 1943 CB LEU A 122 29.555 10.507 -4.432 1.00 0.00 C ATOM 1944 CG LEU A 122 28.797 11.001 -5.664 1.00 0.00 C ATOM 1945 CD1 LEU A 122 27.680 11.949 -5.260 1.00 0.00 C ATOM 1946 CD2 LEU A 122 29.745 11.681 -6.640 1.00 0.00 C ATOM 0 H LEU A 122 28.665 8.391 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 122 30.386 8.969 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 122 28.851 10.408 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.283 11.265 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 122 28.354 10.138 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 122 27.152 12.290 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 122 26.983 11.431 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 122 28.102 12.807 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 122 29.186 12.025 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 122 30.219 12.533 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 122 30.510 10.973 -6.958 1.00 0.00 H new ATOM 1958 N GLU A 123 31.765 9.128 -2.695 1.00 0.00 N ATOM 1959 CA GLU A 123 33.051 9.190 -2.008 1.00 0.00 C ATOM 1960 C GLU A 123 33.978 8.073 -2.485 1.00 0.00 C ATOM 1961 O GLU A 123 35.175 8.288 -2.679 1.00 0.00 O ATOM 1962 CB GLU A 123 32.852 9.094 -0.495 1.00 0.00 C ATOM 1963 CG GLU A 123 33.216 10.369 0.249 1.00 0.00 C ATOM 1964 CD GLU A 123 34.636 10.352 0.773 1.00 0.00 C ATOM 1965 OE1 GLU A 123 34.878 9.736 1.833 1.00 0.00 O ATOM 1966 OE2 GLU A 123 35.519 10.956 0.132 1.00 0.00 O ATOM 0 H GLU A 123 30.964 8.984 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 123 33.514 10.148 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 123 31.810 8.848 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 123 33.456 8.273 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 123 33.088 11.223 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 123 32.527 10.509 1.082 1.00 0.00 H new ATOM 1973 N GLU A 124 33.414 6.890 -2.703 1.00 0.00 N ATOM 1974 CA GLU A 124 34.197 5.740 -3.129 1.00 0.00 C ATOM 1975 C GLU A 124 34.672 5.903 -4.569 1.00 0.00 C ATOM 1976 O GLU A 124 35.844 5.679 -4.874 1.00 0.00 O ATOM 1977 CB GLU A 124 33.373 4.460 -2.987 1.00 0.00 C ATOM 1978 CG GLU A 124 33.765 3.601 -1.793 1.00 0.00 C ATOM 1979 CD GLU A 124 34.946 4.158 -1.021 1.00 0.00 C ATOM 1980 OE1 GLU A 124 36.098 3.904 -1.424 1.00 0.00 O ATOM 1981 OE2 GLU A 124 34.726 4.854 -0.005 1.00 0.00 O ATOM 0 H GLU A 124 32.417 6.704 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 124 35.076 5.671 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.320 4.726 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 124 33.479 3.869 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 124 32.911 3.510 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 124 34.007 2.596 -2.140 1.00 0.00 H new ATOM 1988 N GLN A 125 33.762 6.297 -5.454 1.00 0.00 N ATOM 1989 CA GLN A 125 34.099 6.515 -6.847 1.00 0.00 C ATOM 1990 C GLN A 125 35.023 7.724 -7.022 1.00 0.00 C ATOM 1991 O GLN A 125 35.737 7.822 -8.019 1.00 0.00 O ATOM 1992 CB GLN A 125 32.818 6.664 -7.673 1.00 0.00 C ATOM 1993 CG GLN A 125 32.304 8.086 -7.823 1.00 0.00 C ATOM 1994 CD GLN A 125 31.954 8.408 -9.252 1.00 0.00 C ATOM 1995 OE1 GLN A 125 32.143 9.533 -9.718 1.00 0.00 O ATOM 1996 NE2 GLN A 125 31.426 7.424 -9.953 1.00 0.00 N ATOM 0 H GLN A 125 32.783 6.471 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 125 34.648 5.646 -7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.996 6.253 -8.667 1.00 0.00 H new ATOM 0 HB3 GLN A 125 32.036 6.059 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.424 8.222 -7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.061 8.785 -7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.289 6.509 -9.524 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.155 7.578 -10.924 1.00 0.00 H new ATOM 2005 N SER A 126 35.019 8.634 -6.052 1.00 0.00 N ATOM 2006 CA SER A 126 35.927 9.777 -6.093 1.00 0.00 C ATOM 2007 C SER A 126 37.324 9.354 -5.657 1.00 0.00 C ATOM 2008 O SER A 126 38.320 9.976 -6.030 1.00 0.00 O ATOM 2009 CB SER A 126 35.412 10.918 -5.210 1.00 0.00 C ATOM 2010 OG SER A 126 34.133 11.356 -5.642 1.00 0.00 O ATOM 0 H SER A 126 34.406 8.604 -5.238 1.00 0.00 H new ATOM 0 HA SER A 126 35.974 10.141 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 126 35.356 10.584 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 126 36.115 11.751 -5.239 1.00 0.00 H new ATOM 0 HG SER A 126 33.497 10.612 -5.588 1.00 0.00 H new ATOM 2016 N LYS A 127 37.393 8.291 -4.862 1.00 0.00 N ATOM 2017 CA LYS A 127 38.666 7.705 -4.487 1.00 0.00 C ATOM 2018 C LYS A 127 39.267 6.966 -5.676 1.00 0.00 C ATOM 2019 O LYS A 127 40.467 6.694 -5.716 1.00 0.00 O ATOM 2020 CB LYS A 127 38.480 6.750 -3.310 1.00 0.00 C ATOM 2021 CG LYS A 127 39.270 7.139 -2.072 1.00 0.00 C ATOM 2022 CD LYS A 127 39.071 8.605 -1.712 1.00 0.00 C ATOM 2023 CE LYS A 127 37.878 8.791 -0.789 1.00 0.00 C ATOM 2024 NZ LYS A 127 38.175 8.365 0.605 1.00 0.00 N ATOM 0 H LYS A 127 36.579 7.821 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 127 39.347 8.501 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 127 37.421 6.705 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 127 38.776 5.747 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 127 38.963 6.514 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 127 40.329 6.947 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 127 39.970 8.988 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 127 38.924 9.188 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 127 37.579 9.839 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 127 37.033 8.218 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 37.409 8.678 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 38.252 7.329 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 39.072 8.790 0.914 1.00 0.00 H new ATOM 2038 N GLN A 128 38.419 6.646 -6.638 1.00 0.00 N ATOM 2039 CA GLN A 128 38.851 5.980 -7.853 1.00 0.00 C ATOM 2040 C GLN A 128 38.876 6.972 -9.011 1.00 0.00 C ATOM 2041 O GLN A 128 39.132 8.164 -8.811 1.00 0.00 O ATOM 2042 CB GLN A 128 37.926 4.802 -8.174 1.00 0.00 C ATOM 2043 CG GLN A 128 37.756 3.826 -7.021 1.00 0.00 C ATOM 2044 CD GLN A 128 38.260 2.435 -7.347 1.00 0.00 C ATOM 2045 OE1 GLN A 128 38.612 2.132 -8.489 1.00 0.00 O ATOM 2046 NE2 GLN A 128 38.296 1.578 -6.343 1.00 0.00 N ATOM 0 H GLN A 128 37.418 6.839 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 128 39.859 5.593 -7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.947 5.188 -8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 128 38.321 4.266 -9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 128 38.289 4.205 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 128 36.701 3.771 -6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 128 37.996 1.869 -5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 128 38.624 0.625 -6.498 1.00 0.00 H new ATOM 2055 N GLN A 129 38.599 6.493 -10.213 1.00 0.00 N ATOM 2056 CA GLN A 129 38.619 7.333 -11.394 1.00 0.00 C ATOM 2057 C GLN A 129 37.452 6.984 -12.307 1.00 0.00 C ATOM 2058 O GLN A 129 36.821 7.910 -12.854 1.00 0.00 O ATOM 2059 CB GLN A 129 39.948 7.168 -12.141 1.00 0.00 C ATOM 2060 CG GLN A 129 40.338 5.722 -12.400 1.00 0.00 C ATOM 2061 CD GLN A 129 40.301 5.351 -13.872 1.00 0.00 C ATOM 2062 OE1 GLN A 129 41.323 5.376 -14.557 1.00 0.00 O ATOM 2063 NE2 GLN A 129 39.118 5.021 -14.365 1.00 0.00 N ATOM 2064 OXT GLN A 129 37.177 5.784 -12.481 1.00 0.00 O ATOM 0 H GLN A 129 38.356 5.519 -10.394 1.00 0.00 H new ATOM 0 HA GLN A 129 38.521 8.374 -11.085 1.00 0.00 H new ATOM 0 HB2 GLN A 129 39.884 7.692 -13.094 1.00 0.00 H new ATOM 0 HB3 GLN A 129 40.739 7.649 -11.565 1.00 0.00 H new ATOM 0 HG2 GLN A 129 41.342 5.547 -12.012 1.00 0.00 H new ATOM 0 HG3 GLN A 129 39.665 5.066 -11.849 1.00 0.00 H new ATOM 0 HE21 GLN A 129 38.297 5.014 -13.760 1.00 0.00 H new ATOM 0 HE22 GLN A 129 39.027 4.774 -15.350 1.00 0.00 H new TER 2073 GLN A 129