USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 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 57 ASN : amide:sc= 0.567 X(o=1.1,f=1.2) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0.521 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0.264 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.511 K(o=0.77,f=-2.1!) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -155:sc= 0.56 (180deg=0) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0.5 USER MOD Set 4.1: A 14 GLN : amide:sc= 0.778 K(o=1.7,f=-3.3) USER MOD Set 4.2: A 37 LYS NZ :NH3+ 167:sc= 0.887 (180deg=0) USER MOD Set 5.1: A 7 THR OG1 : rot 140:sc= 1.01 USER MOD Set 5.2: A 17 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0629 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.6!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -63:sc= 0.33 USER MOD Single : A 12 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 13 GLN : amide:sc= 0.879 K(o=0.88,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 145:sc= 0.0369 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 1.2 (180deg=1.04) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 1.26 (180deg=0.828) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.18) USER MOD Single : A 47 GLN : amide:sc= 0.144 X(o=0.14,f=-0.29) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.07) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.18) USER MOD Single : A 65 TYR OH : rot 147:sc= 0.566 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -137:sc= 1.16 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= 0.349 (180deg=-0.0491) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.179 -17.236 -7.164 1.00 10.00 N ATOM 2 CA GLY A 1 -8.337 -17.085 -5.955 1.00 10.00 C ATOM 3 C GLY A 1 -9.079 -16.381 -4.826 1.00 10.00 C ATOM 4 O GLY A 1 -10.312 -16.331 -4.826 1.00 10.00 O ATOM 0 H1 GLY A 1 -9.091 -18.206 -7.529 1.00 10.00 H new ATOM 0 H2 GLY A 1 -10.172 -17.046 -6.921 1.00 10.00 H new ATOM 0 H3 GLY A 1 -8.865 -16.562 -7.892 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -8.010 -18.068 -5.616 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -7.440 -16.520 -6.207 1.00 10.00 H new ATOM 10 N SER A 2 -8.331 -15.822 -3.868 1.00 10.00 N ATOM 11 CA SER A 2 -8.867 -15.251 -2.610 1.00 10.00 C ATOM 12 C SER A 2 -8.317 -13.853 -2.263 1.00 10.00 C ATOM 13 O SER A 2 -8.590 -13.328 -1.182 1.00 10.00 O ATOM 14 CB SER A 2 -8.601 -16.217 -1.444 1.00 10.00 C ATOM 15 OG SER A 2 -9.145 -17.505 -1.707 1.00 10.00 O ATOM 0 H SER A 2 -7.316 -15.748 -3.939 1.00 10.00 H new ATOM 0 HA SER A 2 -9.937 -15.123 -2.772 1.00 10.00 H new ATOM 0 HB2 SER A 2 -7.527 -16.301 -1.276 1.00 10.00 H new ATOM 0 HB3 SER A 2 -9.037 -15.815 -0.529 1.00 10.00 H new ATOM 0 HG SER A 2 -8.960 -18.099 -0.950 1.00 10.00 H new ATOM 21 N HIS A 3 -7.545 -13.231 -3.165 1.00 10.00 N ATOM 22 CA HIS A 3 -7.028 -11.865 -3.006 1.00 10.00 C ATOM 23 C HIS A 3 -8.133 -10.786 -3.023 1.00 10.00 C ATOM 24 O HIS A 3 -9.266 -11.010 -3.459 1.00 10.00 O ATOM 25 CB HIS A 3 -6.002 -11.572 -4.116 1.00 10.00 C ATOM 26 CG HIS A 3 -4.674 -12.286 -4.016 1.00 10.00 C ATOM 27 ND1 HIS A 3 -3.614 -12.087 -4.869 1.00 10.00 N ATOM 28 CD2 HIS A 3 -4.258 -13.185 -3.069 1.00 10.00 C ATOM 29 CE1 HIS A 3 -2.584 -12.842 -4.456 1.00 10.00 C ATOM 30 NE2 HIS A 3 -2.931 -13.535 -3.357 1.00 10.00 N ATOM 0 H HIS A 3 -7.258 -13.670 -4.040 1.00 10.00 H new ATOM 0 HA HIS A 3 -6.559 -11.817 -2.023 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.455 -11.827 -5.074 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.812 -10.499 -4.129 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -3.611 -11.469 -5.680 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -4.849 -13.558 -2.245 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -1.618 -12.886 -4.936 1.00 10.00 H new ATOM 38 N MET A 4 -7.744 -9.576 -2.618 1.00 10.00 N ATOM 39 CA MET A 4 -8.480 -8.318 -2.740 1.00 10.00 C ATOM 40 C MET A 4 -7.578 -7.311 -3.468 1.00 10.00 C ATOM 41 O MET A 4 -6.382 -7.227 -3.173 1.00 10.00 O ATOM 42 CB MET A 4 -8.847 -7.829 -1.329 1.00 10.00 C ATOM 43 CG MET A 4 -9.493 -6.437 -1.320 1.00 10.00 C ATOM 44 SD MET A 4 -9.933 -5.790 0.318 1.00 10.00 S ATOM 45 CE MET A 4 -11.395 -6.797 0.697 1.00 10.00 C ATOM 0 H MET A 4 -6.841 -9.441 -2.163 1.00 10.00 H new ATOM 0 HA MET A 4 -9.401 -8.441 -3.310 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.531 -8.543 -0.871 1.00 10.00 H new ATOM 0 HB3 MET A 4 -7.948 -7.809 -0.713 1.00 10.00 H new ATOM 0 HG2 MET A 4 -8.809 -5.735 -1.797 1.00 10.00 H new ATOM 0 HG3 MET A 4 -10.394 -6.470 -1.932 1.00 10.00 H new ATOM 0 HE1 MET A 4 -11.785 -6.518 1.676 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.160 -6.627 -0.060 1.00 10.00 H new ATOM 0 HE3 MET A 4 -11.119 -7.851 0.703 1.00 10.00 H new ATOM 55 N GLN A 5 -8.141 -6.543 -4.403 1.00 10.00 N ATOM 56 CA GLN A 5 -7.405 -5.570 -5.208 1.00 10.00 C ATOM 57 C GLN A 5 -7.590 -4.148 -4.654 1.00 10.00 C ATOM 58 O GLN A 5 -8.684 -3.761 -4.245 1.00 10.00 O ATOM 59 CB GLN A 5 -7.849 -5.695 -6.674 1.00 10.00 C ATOM 60 CG GLN A 5 -7.041 -4.796 -7.624 1.00 10.00 C ATOM 61 CD GLN A 5 -7.443 -4.998 -9.083 1.00 10.00 C ATOM 62 OE1 GLN A 5 -8.398 -4.417 -9.581 1.00 10.00 O ATOM 63 NE2 GLN A 5 -6.733 -5.821 -9.829 1.00 10.00 N ATOM 0 H GLN A 5 -9.136 -6.581 -4.624 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.336 -5.778 -5.158 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -7.748 -6.733 -6.991 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -8.906 -5.439 -6.751 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -7.189 -3.752 -7.348 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -5.978 -5.009 -7.508 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -5.934 -6.312 -9.428 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -6.982 -5.966 -10.807 1.00 10.00 H new ATOM 72 N VAL A 6 -6.512 -3.366 -4.648 1.00 10.00 N ATOM 73 CA VAL A 6 -6.423 -2.026 -4.056 1.00 10.00 C ATOM 74 C VAL A 6 -5.640 -1.109 -5.008 1.00 10.00 C ATOM 75 O VAL A 6 -4.744 -1.553 -5.734 1.00 10.00 O ATOM 76 CB VAL A 6 -5.767 -2.106 -2.655 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.719 -0.736 -1.972 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.531 -3.036 -1.696 1.00 10.00 C ATOM 0 H VAL A 6 -5.634 -3.660 -5.075 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.420 -1.606 -3.921 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.765 -2.492 -2.841 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.252 -0.834 -0.992 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.138 -0.045 -2.583 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.732 -0.352 -1.854 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -6.028 -3.055 -0.729 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.549 -2.669 -1.568 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -6.558 -4.044 -2.111 1.00 10.00 H new ATOM 88 N THR A 7 -5.989 0.177 -5.014 1.00 10.00 N ATOM 89 CA THR A 7 -5.442 1.199 -5.920 1.00 10.00 C ATOM 90 C THR A 7 -4.516 2.124 -5.134 1.00 10.00 C ATOM 91 O THR A 7 -4.931 2.699 -4.126 1.00 10.00 O ATOM 92 CB THR A 7 -6.586 2.009 -6.546 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.489 1.153 -7.211 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.100 3.017 -7.581 1.00 10.00 C ATOM 0 H THR A 7 -6.683 0.554 -4.369 1.00 10.00 H new ATOM 0 HA THR A 7 -4.879 0.715 -6.718 1.00 10.00 H new ATOM 0 HB THR A 7 -7.059 2.537 -5.718 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.407 1.455 -7.047 1.00 10.00 H new ATOM 0 HG21 THR A 7 -6.953 3.560 -7.989 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.414 3.721 -7.109 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.585 2.492 -8.386 1.00 10.00 H new ATOM 102 N LEU A 8 -3.262 2.263 -5.565 1.00 10.00 N ATOM 103 CA LEU A 8 -2.206 2.963 -4.823 1.00 10.00 C ATOM 104 C LEU A 8 -1.720 4.165 -5.630 1.00 10.00 C ATOM 105 O LEU A 8 -1.284 3.983 -6.767 1.00 10.00 O ATOM 106 CB LEU A 8 -1.009 2.027 -4.540 1.00 10.00 C ATOM 107 CG LEU A 8 -1.315 0.590 -4.092 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.021 -0.077 -3.644 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.269 0.512 -2.903 1.00 10.00 C ATOM 0 H LEU A 8 -2.943 1.886 -6.457 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.624 3.293 -3.872 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.404 1.974 -5.445 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.393 2.494 -3.771 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.779 0.101 -4.948 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.230 -1.098 -3.324 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.686 -0.094 -4.474 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.408 0.483 -2.813 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.440 -0.532 -2.641 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.832 1.033 -2.051 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.218 0.980 -3.166 1.00 10.00 H new ATOM 121 N LYS A 9 -1.763 5.372 -5.051 1.00 10.00 N ATOM 122 CA LYS A 9 -1.268 6.611 -5.680 1.00 10.00 C ATOM 123 C LYS A 9 -0.125 7.253 -4.897 1.00 10.00 C ATOM 124 O LYS A 9 0.127 6.903 -3.745 1.00 10.00 O ATOM 125 CB LYS A 9 -2.420 7.587 -5.980 1.00 10.00 C ATOM 126 CG LYS A 9 -2.912 8.372 -4.760 1.00 10.00 C ATOM 127 CD LYS A 9 -4.157 9.212 -5.080 1.00 10.00 C ATOM 128 CE LYS A 9 -3.885 10.303 -6.126 1.00 10.00 C ATOM 129 NZ LYS A 9 -5.104 11.110 -6.396 1.00 10.00 N ATOM 0 H LYS A 9 -2.148 5.521 -4.118 1.00 10.00 H new ATOM 0 HA LYS A 9 -0.835 6.334 -6.641 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.094 8.292 -6.744 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -3.256 7.027 -6.399 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.141 7.678 -3.951 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -2.115 9.025 -4.404 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.949 8.556 -5.443 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.522 9.676 -4.164 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -3.085 10.955 -5.775 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -3.538 9.844 -7.052 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -4.888 11.838 -7.106 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -5.858 10.490 -6.754 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -5.420 11.567 -5.517 1.00 10.00 H new ATOM 143 N THR A 10 0.578 8.194 -5.520 1.00 10.00 N ATOM 144 CA THR A 10 1.886 8.674 -5.044 1.00 10.00 C ATOM 145 C THR A 10 2.054 10.188 -5.191 1.00 10.00 C ATOM 146 O THR A 10 1.379 10.837 -5.996 1.00 10.00 O ATOM 147 CB THR A 10 3.023 7.974 -5.814 1.00 10.00 C ATOM 148 OG1 THR A 10 2.969 8.325 -7.177 1.00 10.00 O ATOM 149 CG2 THR A 10 2.981 6.446 -5.739 1.00 10.00 C ATOM 0 H THR A 10 0.261 8.652 -6.374 1.00 10.00 H new ATOM 0 HA THR A 10 1.933 8.432 -3.982 1.00 10.00 H new ATOM 0 HB THR A 10 3.942 8.311 -5.335 1.00 10.00 H new ATOM 0 HG1 THR A 10 2.129 8.003 -7.565 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.814 6.031 -6.306 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.057 6.131 -4.698 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.041 6.087 -6.159 1.00 10.00 H new ATOM 157 N LEU A 11 3.027 10.750 -4.463 1.00 10.00 N ATOM 158 CA LEU A 11 3.486 12.141 -4.610 1.00 10.00 C ATOM 159 C LEU A 11 4.031 12.452 -6.020 1.00 10.00 C ATOM 160 O LEU A 11 4.048 13.611 -6.433 1.00 10.00 O ATOM 161 CB LEU A 11 4.553 12.444 -3.536 1.00 10.00 C ATOM 162 CG LEU A 11 3.988 12.912 -2.181 1.00 10.00 C ATOM 163 CD1 LEU A 11 3.052 11.902 -1.516 1.00 10.00 C ATOM 164 CD2 LEU A 11 5.143 13.188 -1.217 1.00 10.00 C ATOM 0 H LEU A 11 3.530 10.240 -3.737 1.00 10.00 H new ATOM 0 HA LEU A 11 2.620 12.788 -4.470 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.151 11.547 -3.375 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.226 13.212 -3.918 1.00 10.00 H new ATOM 0 HG LEU A 11 3.405 13.808 -2.393 1.00 10.00 H new ATOM 0 HD11 LEU A 11 2.697 12.305 -0.568 1.00 10.00 H new ATOM 0 HD12 LEU A 11 2.201 11.709 -2.170 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.590 10.971 -1.336 1.00 10.00 H new ATOM 0 HD21 LEU A 11 4.745 13.519 -0.258 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.723 12.276 -1.074 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.785 13.965 -1.631 1.00 10.00 H new ATOM 176 N GLN A 12 4.414 11.424 -6.787 1.00 10.00 N ATOM 177 CA GLN A 12 4.871 11.521 -8.180 1.00 10.00 C ATOM 178 C GLN A 12 3.711 11.655 -9.195 1.00 10.00 C ATOM 179 O GLN A 12 3.938 11.606 -10.405 1.00 10.00 O ATOM 180 CB GLN A 12 5.755 10.299 -8.511 1.00 10.00 C ATOM 181 CG GLN A 12 6.947 10.101 -7.555 1.00 10.00 C ATOM 182 CD GLN A 12 7.857 11.327 -7.462 1.00 10.00 C ATOM 183 OE1 GLN A 12 8.321 11.876 -8.453 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.145 11.818 -6.273 1.00 10.00 N ATOM 0 H GLN A 12 4.414 10.464 -6.442 1.00 10.00 H new ATOM 0 HA GLN A 12 5.452 12.438 -8.272 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.136 9.402 -8.492 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.133 10.404 -9.528 1.00 10.00 H new ATOM 0 HG2 GLN A 12 6.571 9.860 -6.561 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.534 9.246 -7.889 1.00 10.00 H new ATOM 0 HE21 GLN A 12 7.769 11.376 -5.434 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.744 12.640 -6.192 1.00 10.00 H new ATOM 193 N GLN A 13 2.471 11.844 -8.714 1.00 10.00 N ATOM 194 CA GLN A 13 1.240 11.972 -9.510 1.00 10.00 C ATOM 195 C GLN A 13 1.006 10.757 -10.434 1.00 10.00 C ATOM 196 O GLN A 13 0.775 10.890 -11.638 1.00 10.00 O ATOM 197 CB GLN A 13 1.179 13.334 -10.239 1.00 10.00 C ATOM 198 CG GLN A 13 1.445 14.560 -9.341 1.00 10.00 C ATOM 199 CD GLN A 13 2.773 15.247 -9.669 1.00 10.00 C ATOM 200 OE1 GLN A 13 2.937 15.872 -10.710 1.00 10.00 O ATOM 201 NE2 GLN A 13 3.771 15.183 -8.813 1.00 10.00 N ATOM 0 H GLN A 13 2.292 11.915 -7.712 1.00 10.00 H new ATOM 0 HA GLN A 13 0.397 11.963 -8.819 1.00 10.00 H new ATOM 0 HB2 GLN A 13 1.908 13.330 -11.049 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.195 13.442 -10.696 1.00 10.00 H new ATOM 0 HG2 GLN A 13 0.631 15.275 -9.457 1.00 10.00 H new ATOM 0 HG3 GLN A 13 1.449 14.248 -8.297 1.00 10.00 H new ATOM 0 HE21 GLN A 13 3.661 14.669 -7.939 1.00 10.00 H new ATOM 0 HE22 GLN A 13 4.654 15.647 -9.024 1.00 10.00 H new ATOM 210 N GLN A 14 1.103 9.554 -9.858 1.00 10.00 N ATOM 211 CA GLN A 14 1.041 8.265 -10.544 1.00 10.00 C ATOM 212 C GLN A 14 0.230 7.293 -9.678 1.00 10.00 C ATOM 213 O GLN A 14 0.379 7.301 -8.452 1.00 10.00 O ATOM 214 CB GLN A 14 2.483 7.761 -10.756 1.00 10.00 C ATOM 215 CG GLN A 14 2.544 6.420 -11.499 1.00 10.00 C ATOM 216 CD GLN A 14 3.971 5.893 -11.643 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.375 4.929 -11.002 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.790 6.486 -12.488 1.00 10.00 N ATOM 0 H GLN A 14 1.233 9.451 -8.852 1.00 10.00 H new ATOM 0 HA GLN A 14 0.555 8.350 -11.516 1.00 10.00 H new ATOM 0 HB2 GLN A 14 3.044 8.508 -11.318 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.972 7.656 -9.787 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.941 5.685 -10.965 1.00 10.00 H new ATOM 0 HG3 GLN A 14 2.102 6.537 -12.489 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.470 7.289 -13.029 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.743 6.142 -12.601 1.00 10.00 H new ATOM 227 N THR A 15 -0.580 6.440 -10.314 1.00 10.00 N ATOM 228 CA THR A 15 -1.474 5.484 -9.637 1.00 10.00 C ATOM 229 C THR A 15 -1.424 4.109 -10.312 1.00 10.00 C ATOM 230 O THR A 15 -1.324 4.022 -11.538 1.00 10.00 O ATOM 231 CB THR A 15 -2.931 5.991 -9.612 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.001 7.364 -9.274 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.791 5.242 -8.598 1.00 10.00 C ATOM 0 H THR A 15 -0.636 6.391 -11.331 1.00 10.00 H new ATOM 0 HA THR A 15 -1.120 5.391 -8.610 1.00 10.00 H new ATOM 0 HB THR A 15 -3.308 5.820 -10.620 1.00 10.00 H new ATOM 0 HG1 THR A 15 -3.938 7.652 -9.269 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.807 5.637 -8.620 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.809 4.181 -8.849 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.373 5.372 -7.600 1.00 10.00 H new ATOM 241 N PHE A 16 -1.498 3.034 -9.522 1.00 10.00 N ATOM 242 CA PHE A 16 -1.389 1.641 -9.981 1.00 10.00 C ATOM 243 C PHE A 16 -2.256 0.682 -9.140 1.00 10.00 C ATOM 244 O PHE A 16 -2.831 1.072 -8.122 1.00 10.00 O ATOM 245 CB PHE A 16 0.099 1.231 -10.032 1.00 10.00 C ATOM 246 CG PHE A 16 0.875 1.332 -8.729 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.361 2.579 -8.285 1.00 10.00 C ATOM 248 CD2 PHE A 16 1.146 0.176 -7.971 1.00 10.00 C ATOM 249 CE1 PHE A 16 2.070 2.677 -7.074 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.871 0.276 -6.775 1.00 10.00 C ATOM 251 CZ PHE A 16 2.316 1.525 -6.312 1.00 10.00 C ATOM 0 H PHE A 16 -1.640 3.108 -8.515 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.790 1.568 -10.992 1.00 10.00 H new ATOM 0 HB2 PHE A 16 0.157 0.201 -10.385 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.599 1.852 -10.776 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.188 3.465 -8.878 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.795 -0.787 -8.311 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.425 3.638 -6.731 1.00 10.00 H new ATOM 0 HE2 PHE A 16 2.089 -0.615 -6.205 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.845 1.598 -5.373 1.00 10.00 H new ATOM 261 N LYS A 17 -2.389 -0.571 -9.593 1.00 10.00 N ATOM 262 CA LYS A 17 -3.361 -1.574 -9.121 1.00 10.00 C ATOM 263 C LYS A 17 -2.642 -2.828 -8.623 1.00 10.00 C ATOM 264 O LYS A 17 -1.910 -3.463 -9.385 1.00 10.00 O ATOM 265 CB LYS A 17 -4.295 -1.962 -10.289 1.00 10.00 C ATOM 266 CG LYS A 17 -5.117 -0.819 -10.905 1.00 10.00 C ATOM 267 CD LYS A 17 -6.208 -0.313 -9.959 1.00 10.00 C ATOM 268 CE LYS A 17 -7.074 0.728 -10.680 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.308 1.031 -9.914 1.00 10.00 N ATOM 0 H LYS A 17 -1.793 -0.934 -10.337 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.936 -1.146 -8.300 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -3.691 -2.413 -11.076 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -4.984 -2.729 -9.937 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.452 0.005 -11.163 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.574 -1.162 -11.833 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -6.827 -1.145 -9.623 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -5.757 0.128 -9.070 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -6.500 1.643 -10.825 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.340 0.359 -11.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -8.703 1.937 -10.237 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -9.006 0.275 -10.067 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -8.081 1.093 -8.901 1.00 10.00 H new ATOM 283 N ILE A 18 -2.870 -3.192 -7.362 1.00 10.00 N ATOM 284 CA ILE A 18 -2.180 -4.271 -6.637 1.00 10.00 C ATOM 285 C ILE A 18 -3.207 -5.206 -5.994 1.00 10.00 C ATOM 286 O ILE A 18 -4.256 -4.745 -5.560 1.00 10.00 O ATOM 287 CB ILE A 18 -1.273 -3.645 -5.549 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.197 -2.703 -6.127 1.00 10.00 C ATOM 289 CG2 ILE A 18 -0.613 -4.718 -4.667 1.00 10.00 C ATOM 290 CD1 ILE A 18 0.735 -3.326 -7.174 1.00 10.00 C ATOM 0 H ILE A 18 -3.571 -2.725 -6.787 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.570 -4.850 -7.330 1.00 10.00 H new ATOM 0 HB ILE A 18 -1.937 -3.042 -4.930 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.695 -1.843 -6.575 1.00 10.00 H new ATOM 0 HG13 ILE A 18 0.410 -2.326 -5.304 1.00 10.00 H new ATOM 0 HG21 ILE A 18 0.015 -4.237 -3.917 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -1.385 -5.306 -4.171 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.000 -5.372 -5.287 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.452 -2.579 -7.514 1.00 10.00 H new ATOM 0 HD12 ILE A 18 1.269 -4.167 -6.731 1.00 10.00 H new ATOM 0 HD13 ILE A 18 0.147 -3.676 -8.022 1.00 10.00 H new ATOM 302 N ASP A 19 -2.907 -6.502 -5.881 1.00 10.00 N ATOM 303 CA ASP A 19 -3.780 -7.488 -5.235 1.00 10.00 C ATOM 304 C ASP A 19 -2.985 -8.459 -4.344 1.00 10.00 C ATOM 305 O ASP A 19 -1.968 -9.021 -4.757 1.00 10.00 O ATOM 306 CB ASP A 19 -4.644 -8.216 -6.277 1.00 10.00 C ATOM 307 CG ASP A 19 -3.846 -9.096 -7.254 1.00 10.00 C ATOM 308 OD1 ASP A 19 -3.305 -8.565 -8.254 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.800 -10.333 -7.049 1.00 10.00 O ATOM 0 H ASP A 19 -2.040 -6.902 -6.240 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.458 -6.954 -4.569 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.373 -8.838 -5.757 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -5.206 -7.476 -6.848 1.00 10.00 H new ATOM 314 N ILE A 20 -3.454 -8.618 -3.103 1.00 10.00 N ATOM 315 CA ILE A 20 -2.893 -9.466 -2.034 1.00 10.00 C ATOM 316 C ILE A 20 -4.041 -10.050 -1.183 1.00 10.00 C ATOM 317 O ILE A 20 -5.193 -9.640 -1.324 1.00 10.00 O ATOM 318 CB ILE A 20 -1.860 -8.705 -1.148 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.458 -7.661 -0.172 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.693 -8.085 -1.951 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.379 -6.592 -0.777 1.00 10.00 C ATOM 0 H ILE A 20 -4.292 -8.127 -2.792 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.343 -10.281 -2.504 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.460 -9.505 -0.525 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.017 -8.196 0.596 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.634 -7.154 0.329 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.015 -7.572 -1.269 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.153 -8.873 -2.475 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.088 -7.372 -2.675 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -3.729 -5.925 0.011 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -2.829 -6.016 -1.521 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.234 -7.074 -1.251 1.00 10.00 H new ATOM 333 N ASP A 21 -3.766 -11.003 -0.288 1.00 10.00 N ATOM 334 CA ASP A 21 -4.774 -11.526 0.651 1.00 10.00 C ATOM 335 C ASP A 21 -5.300 -10.429 1.614 1.00 10.00 C ATOM 336 O ASP A 21 -4.495 -9.818 2.323 1.00 10.00 O ATOM 337 CB ASP A 21 -4.179 -12.682 1.468 1.00 10.00 C ATOM 338 CG ASP A 21 -4.008 -13.967 0.643 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.033 -14.547 0.215 1.00 10.00 O ATOM 340 OD2 ASP A 21 -2.852 -14.412 0.449 1.00 10.00 O ATOM 0 H ASP A 21 -2.847 -11.434 -0.190 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.617 -11.882 0.058 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.210 -12.379 1.866 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -4.824 -12.887 2.322 1.00 10.00 H new ATOM 345 N PRO A 22 -6.626 -10.187 1.720 1.00 10.00 N ATOM 346 CA PRO A 22 -7.187 -9.193 2.647 1.00 10.00 C ATOM 347 C PRO A 22 -7.011 -9.563 4.132 1.00 10.00 C ATOM 348 O PRO A 22 -7.026 -8.691 5.001 1.00 10.00 O ATOM 349 CB PRO A 22 -8.666 -9.068 2.271 1.00 10.00 C ATOM 350 CG PRO A 22 -8.995 -10.415 1.635 1.00 10.00 C ATOM 351 CD PRO A 22 -7.693 -10.793 0.935 1.00 10.00 C ATOM 0 HA PRO A 22 -6.654 -8.247 2.547 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.287 -8.877 3.146 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -8.834 -8.246 1.576 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.281 -11.155 2.383 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.824 -10.337 0.931 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.576 -11.876 0.887 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.680 -10.425 -0.091 1.00 10.00 H new ATOM 359 N GLU A 23 -6.824 -10.851 4.430 1.00 10.00 N ATOM 360 CA GLU A 23 -6.508 -11.372 5.766 1.00 10.00 C ATOM 361 C GLU A 23 -5.016 -11.268 6.153 1.00 10.00 C ATOM 362 O GLU A 23 -4.661 -11.574 7.293 1.00 10.00 O ATOM 363 CB GLU A 23 -7.015 -12.822 5.886 1.00 10.00 C ATOM 364 CG GLU A 23 -6.355 -13.803 4.904 1.00 10.00 C ATOM 365 CD GLU A 23 -6.853 -15.240 5.151 1.00 10.00 C ATOM 366 OE1 GLU A 23 -7.936 -15.611 4.634 1.00 10.00 O ATOM 367 OE2 GLU A 23 -6.163 -16.014 5.860 1.00 10.00 O ATOM 0 H GLU A 23 -6.890 -11.586 3.726 1.00 10.00 H new ATOM 0 HA GLU A 23 -7.027 -10.734 6.481 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -6.842 -13.172 6.904 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -8.093 -12.833 5.724 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -6.580 -13.506 3.880 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -5.272 -13.764 5.017 1.00 10.00 H new ATOM 374 N GLU A 24 -4.135 -10.832 5.243 1.00 10.00 N ATOM 375 CA GLU A 24 -2.697 -10.659 5.495 1.00 10.00 C ATOM 376 C GLU A 24 -2.366 -9.186 5.818 1.00 10.00 C ATOM 377 O GLU A 24 -3.174 -8.289 5.559 1.00 10.00 O ATOM 378 CB GLU A 24 -1.945 -11.199 4.265 1.00 10.00 C ATOM 379 CG GLU A 24 -0.421 -11.244 4.385 1.00 10.00 C ATOM 380 CD GLU A 24 0.058 -12.092 5.576 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.149 -11.543 6.699 1.00 10.00 O ATOM 382 OE2 GLU A 24 0.345 -13.301 5.397 1.00 10.00 O ATOM 0 H GLU A 24 -4.407 -10.584 4.292 1.00 10.00 H new ATOM 0 HA GLU A 24 -2.379 -11.220 6.374 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -2.304 -12.207 4.056 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -2.205 -10.583 3.404 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -0.000 -11.648 3.464 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.039 -10.229 4.491 1.00 10.00 H new ATOM 389 N THR A 25 -1.205 -8.921 6.425 1.00 10.00 N ATOM 390 CA THR A 25 -0.816 -7.580 6.903 1.00 10.00 C ATOM 391 C THR A 25 -0.247 -6.687 5.802 1.00 10.00 C ATOM 392 O THR A 25 0.103 -7.142 4.710 1.00 10.00 O ATOM 393 CB THR A 25 0.173 -7.630 8.082 1.00 10.00 C ATOM 394 OG1 THR A 25 1.426 -8.129 7.674 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.331 -8.475 9.250 1.00 10.00 C ATOM 0 H THR A 25 -0.498 -9.635 6.603 1.00 10.00 H new ATOM 0 HA THR A 25 -1.750 -7.137 7.250 1.00 10.00 H new ATOM 0 HB THR A 25 0.271 -6.600 8.424 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.137 -7.672 8.169 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.411 -8.471 10.049 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.268 -8.060 9.622 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.496 -9.499 8.914 1.00 10.00 H new ATOM 403 N VAL A 26 -0.117 -5.391 6.107 1.00 10.00 N ATOM 404 CA VAL A 26 0.455 -4.372 5.202 1.00 10.00 C ATOM 405 C VAL A 26 1.854 -4.731 4.691 1.00 10.00 C ATOM 406 O VAL A 26 2.190 -4.335 3.578 1.00 10.00 O ATOM 407 CB VAL A 26 0.431 -2.983 5.867 1.00 10.00 C ATOM 408 CG1 VAL A 26 1.074 -1.871 5.032 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.024 -2.574 6.123 1.00 10.00 C ATOM 0 H VAL A 26 -0.410 -5.008 7.006 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.181 -4.345 4.317 1.00 10.00 H new ATOM 0 HB VAL A 26 1.012 -3.086 6.783 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.014 -0.928 5.574 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.119 -2.115 4.844 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.547 -1.778 4.082 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.048 -1.591 6.594 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.563 -2.536 5.176 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.497 -3.303 6.781 1.00 10.00 H new ATOM 419 N LYS A 27 2.635 -5.552 5.411 1.00 10.00 N ATOM 420 CA LYS A 27 3.911 -6.113 4.920 1.00 10.00 C ATOM 421 C LYS A 27 3.782 -6.734 3.527 1.00 10.00 C ATOM 422 O LYS A 27 4.597 -6.448 2.657 1.00 10.00 O ATOM 423 CB LYS A 27 4.466 -7.143 5.908 1.00 10.00 C ATOM 424 CG LYS A 27 5.035 -6.441 7.146 1.00 10.00 C ATOM 425 CD LYS A 27 5.588 -7.422 8.184 1.00 10.00 C ATOM 426 CE LYS A 27 6.829 -8.167 7.672 1.00 10.00 C ATOM 427 NZ LYS A 27 7.390 -9.073 8.707 1.00 10.00 N ATOM 0 H LYS A 27 2.400 -5.849 6.358 1.00 10.00 H new ATOM 0 HA LYS A 27 4.609 -5.280 4.840 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.677 -7.834 6.204 1.00 10.00 H new ATOM 0 HB3 LYS A 27 5.245 -7.735 5.427 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.828 -5.759 6.839 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.254 -5.835 7.605 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.841 -6.880 9.095 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.815 -8.144 8.447 1.00 10.00 H new ATOM 0 HE2 LYS A 27 6.567 -8.745 6.786 1.00 10.00 H new ATOM 0 HE3 LYS A 27 7.588 -7.445 7.369 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 8.227 -9.559 8.326 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.663 -8.518 9.543 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.674 -9.777 8.977 1.00 10.00 H new ATOM 441 N ALA A 28 2.737 -7.524 3.281 1.00 10.00 N ATOM 442 CA ALA A 28 2.524 -8.185 1.992 1.00 10.00 C ATOM 443 C ALA A 28 2.295 -7.192 0.834 1.00 10.00 C ATOM 444 O ALA A 28 2.874 -7.341 -0.242 1.00 10.00 O ATOM 445 CB ALA A 28 1.352 -9.159 2.153 1.00 10.00 C ATOM 0 H ALA A 28 2.013 -7.724 3.971 1.00 10.00 H new ATOM 0 HA ALA A 28 3.429 -8.726 1.715 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.169 -9.668 1.207 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.593 -9.895 2.920 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.459 -8.608 2.447 1.00 10.00 H new ATOM 451 N LEU A 29 1.495 -6.145 1.063 1.00 10.00 N ATOM 452 CA LEU A 29 1.211 -5.064 0.129 1.00 10.00 C ATOM 453 C LEU A 29 2.427 -4.157 -0.091 1.00 10.00 C ATOM 454 O LEU A 29 2.724 -3.779 -1.221 1.00 10.00 O ATOM 455 CB LEU A 29 0.031 -4.326 0.776 1.00 10.00 C ATOM 456 CG LEU A 29 -0.604 -3.152 0.036 1.00 10.00 C ATOM 457 CD1 LEU A 29 0.190 -1.848 0.124 1.00 10.00 C ATOM 458 CD2 LEU A 29 -0.921 -3.443 -1.426 1.00 10.00 C ATOM 0 H LEU A 29 1.006 -6.028 1.951 1.00 10.00 H new ATOM 0 HA LEU A 29 0.972 -5.424 -0.872 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.753 -5.060 0.963 1.00 10.00 H new ATOM 0 HB3 LEU A 29 0.364 -3.961 1.747 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.542 -3.013 0.574 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.331 -1.066 -0.429 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.287 -1.551 1.168 1.00 10.00 H new ATOM 0 HD13 LEU A 29 1.181 -1.996 -0.305 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -1.370 -2.561 -1.884 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -0.002 -3.698 -1.954 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.618 -4.278 -1.488 1.00 10.00 H new ATOM 470 N LYS A 30 3.130 -3.780 0.978 1.00 10.00 N ATOM 471 CA LYS A 30 4.228 -2.811 0.928 1.00 10.00 C ATOM 472 C LYS A 30 5.572 -3.392 0.478 1.00 10.00 C ATOM 473 O LYS A 30 6.347 -2.697 -0.178 1.00 10.00 O ATOM 474 CB LYS A 30 4.253 -2.033 2.261 1.00 10.00 C ATOM 475 CG LYS A 30 4.958 -2.758 3.421 1.00 10.00 C ATOM 476 CD LYS A 30 6.436 -2.360 3.556 1.00 10.00 C ATOM 477 CE LYS A 30 6.624 -1.060 4.352 1.00 10.00 C ATOM 478 NZ LYS A 30 6.612 -1.294 5.819 1.00 10.00 N ATOM 0 H LYS A 30 2.951 -4.143 1.914 1.00 10.00 H new ATOM 0 HA LYS A 30 4.036 -2.098 0.126 1.00 10.00 H new ATOM 0 HB2 LYS A 30 4.747 -1.075 2.097 1.00 10.00 H new ATOM 0 HB3 LYS A 30 3.227 -1.816 2.558 1.00 10.00 H new ATOM 0 HG2 LYS A 30 4.439 -2.535 4.353 1.00 10.00 H new ATOM 0 HG3 LYS A 30 4.888 -3.835 3.267 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.983 -3.165 4.047 1.00 10.00 H new ATOM 0 HD3 LYS A 30 6.869 -2.240 2.563 1.00 10.00 H new ATOM 0 HE2 LYS A 30 7.568 -0.595 4.068 1.00 10.00 H new ATOM 0 HE3 LYS A 30 5.832 -0.358 4.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 6.486 -0.388 6.314 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 5.829 -1.933 6.062 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 7.513 -1.725 6.109 1.00 10.00 H new ATOM 492 N GLU A 31 5.851 -4.661 0.775 1.00 10.00 N ATOM 493 CA GLU A 31 7.045 -5.344 0.260 1.00 10.00 C ATOM 494 C GLU A 31 6.927 -5.650 -1.238 1.00 10.00 C ATOM 495 O GLU A 31 7.917 -5.496 -1.957 1.00 10.00 O ATOM 496 CB GLU A 31 7.341 -6.640 1.034 1.00 10.00 C ATOM 497 CG GLU A 31 7.869 -6.369 2.453 1.00 10.00 C ATOM 498 CD GLU A 31 8.274 -7.675 3.168 1.00 10.00 C ATOM 499 OE1 GLU A 31 9.244 -8.340 2.727 1.00 10.00 O ATOM 500 OE2 GLU A 31 7.651 -8.037 4.194 1.00 10.00 O ATOM 0 H GLU A 31 5.264 -5.243 1.373 1.00 10.00 H new ATOM 0 HA GLU A 31 7.877 -4.655 0.407 1.00 10.00 H new ATOM 0 HB2 GLU A 31 6.432 -7.238 1.096 1.00 10.00 H new ATOM 0 HB3 GLU A 31 8.074 -7.229 0.483 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.729 -5.701 2.400 1.00 10.00 H new ATOM 0 HG3 GLU A 31 7.103 -5.857 3.035 1.00 10.00 H new ATOM 507 N LYS A 32 5.743 -6.045 -1.743 1.00 10.00 N ATOM 508 CA LYS A 32 5.612 -6.454 -3.149 1.00 10.00 C ATOM 509 C LYS A 32 5.870 -5.311 -4.141 1.00 10.00 C ATOM 510 O LYS A 32 6.419 -5.553 -5.215 1.00 10.00 O ATOM 511 CB LYS A 32 4.259 -7.158 -3.355 1.00 10.00 C ATOM 512 CG LYS A 32 3.063 -6.207 -3.537 1.00 10.00 C ATOM 513 CD LYS A 32 2.765 -5.860 -5.007 1.00 10.00 C ATOM 514 CE LYS A 32 2.264 -7.091 -5.783 1.00 10.00 C ATOM 515 NZ LYS A 32 2.019 -6.794 -7.217 1.00 10.00 N ATOM 0 H LYS A 32 4.877 -6.089 -1.206 1.00 10.00 H new ATOM 0 HA LYS A 32 6.401 -7.171 -3.373 1.00 10.00 H new ATOM 0 HB2 LYS A 32 4.330 -7.803 -4.231 1.00 10.00 H new ATOM 0 HB3 LYS A 32 4.066 -7.803 -2.498 1.00 10.00 H new ATOM 0 HG2 LYS A 32 2.177 -6.663 -3.094 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.256 -5.286 -2.988 1.00 10.00 H new ATOM 0 HD2 LYS A 32 2.015 -5.070 -5.051 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.666 -5.471 -5.481 1.00 10.00 H new ATOM 0 HE2 LYS A 32 2.998 -7.893 -5.701 1.00 10.00 H new ATOM 0 HE3 LYS A 32 1.343 -7.454 -5.327 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 2.232 -7.637 -7.787 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 1.023 -6.528 -7.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 2.630 -6.008 -7.518 1.00 10.00 H new ATOM 529 N ILE A 33 5.494 -4.070 -3.802 1.00 10.00 N ATOM 530 CA ILE A 33 5.633 -2.920 -4.712 1.00 10.00 C ATOM 531 C ILE A 33 7.096 -2.477 -4.868 1.00 10.00 C ATOM 532 O ILE A 33 7.463 -1.949 -5.914 1.00 10.00 O ATOM 533 CB ILE A 33 4.683 -1.755 -4.348 1.00 10.00 C ATOM 534 CG1 ILE A 33 4.985 -1.017 -3.026 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.236 -2.267 -4.337 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.957 0.153 -3.205 1.00 10.00 C ATOM 0 H ILE A 33 5.088 -3.834 -2.897 1.00 10.00 H new ATOM 0 HA ILE A 33 5.314 -3.262 -5.697 1.00 10.00 H new ATOM 0 HB ILE A 33 4.847 -1.005 -5.122 1.00 10.00 H new ATOM 0 HG12 ILE A 33 4.052 -0.646 -2.602 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.403 -1.723 -2.309 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.563 -1.449 -4.081 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.979 -2.653 -5.323 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.137 -3.063 -3.599 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.131 0.632 -2.242 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.902 -0.217 -3.602 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.531 0.877 -3.899 1.00 10.00 H new ATOM 548 N GLU A 34 7.965 -2.757 -3.888 1.00 10.00 N ATOM 549 CA GLU A 34 9.415 -2.541 -4.016 1.00 10.00 C ATOM 550 C GLU A 34 10.016 -3.410 -5.137 1.00 10.00 C ATOM 551 O GLU A 34 10.916 -2.960 -5.844 1.00 10.00 O ATOM 552 CB GLU A 34 10.115 -2.824 -2.675 1.00 10.00 C ATOM 553 CG GLU A 34 11.595 -2.417 -2.674 1.00 10.00 C ATOM 554 CD GLU A 34 12.326 -2.938 -1.426 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.682 -4.141 -1.398 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.610 -2.147 -0.499 1.00 10.00 O ATOM 0 H GLU A 34 7.685 -3.139 -2.985 1.00 10.00 H new ATOM 0 HA GLU A 34 9.579 -1.497 -4.285 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.596 -2.288 -1.880 1.00 10.00 H new ATOM 0 HB3 GLU A 34 10.036 -3.887 -2.447 1.00 10.00 H new ATOM 0 HG2 GLU A 34 12.080 -2.806 -3.569 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.674 -1.331 -2.715 1.00 10.00 H new ATOM 563 N SER A 35 9.494 -4.620 -5.377 1.00 10.00 N ATOM 564 CA SER A 35 9.924 -5.474 -6.499 1.00 10.00 C ATOM 565 C SER A 35 9.580 -4.890 -7.881 1.00 10.00 C ATOM 566 O SER A 35 10.197 -5.264 -8.879 1.00 10.00 O ATOM 567 CB SER A 35 9.306 -6.875 -6.388 1.00 10.00 C ATOM 568 OG SER A 35 9.588 -7.473 -5.128 1.00 10.00 O ATOM 0 H SER A 35 8.762 -5.037 -4.801 1.00 10.00 H new ATOM 0 HA SER A 35 11.010 -5.529 -6.423 1.00 10.00 H new ATOM 0 HB2 SER A 35 8.227 -6.809 -6.527 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.692 -7.508 -7.187 1.00 10.00 H new ATOM 0 HG SER A 35 9.179 -8.363 -5.089 1.00 10.00 H new ATOM 574 N GLU A 36 8.603 -3.977 -7.956 1.00 10.00 N ATOM 575 CA GLU A 36 8.146 -3.330 -9.196 1.00 10.00 C ATOM 576 C GLU A 36 8.708 -1.912 -9.400 1.00 10.00 C ATOM 577 O GLU A 36 9.028 -1.536 -10.531 1.00 10.00 O ATOM 578 CB GLU A 36 6.612 -3.288 -9.204 1.00 10.00 C ATOM 579 CG GLU A 36 6.015 -4.696 -9.349 1.00 10.00 C ATOM 580 CD GLU A 36 4.479 -4.661 -9.421 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.921 -4.189 -10.441 1.00 10.00 O ATOM 582 OE2 GLU A 36 3.821 -5.144 -8.468 1.00 10.00 O ATOM 0 H GLU A 36 8.093 -3.658 -7.132 1.00 10.00 H new ATOM 0 HA GLU A 36 8.526 -3.928 -10.024 1.00 10.00 H new ATOM 0 HB2 GLU A 36 6.254 -2.832 -8.281 1.00 10.00 H new ATOM 0 HB3 GLU A 36 6.268 -2.659 -10.025 1.00 10.00 H new ATOM 0 HG2 GLU A 36 6.410 -5.167 -10.249 1.00 10.00 H new ATOM 0 HG3 GLU A 36 6.325 -5.311 -8.504 1.00 10.00 H new ATOM 589 N LYS A 37 8.854 -1.129 -8.322 1.00 10.00 N ATOM 590 CA LYS A 37 9.327 0.270 -8.354 1.00 10.00 C ATOM 591 C LYS A 37 10.813 0.415 -7.989 1.00 10.00 C ATOM 592 O LYS A 37 11.453 1.393 -8.377 1.00 10.00 O ATOM 593 CB LYS A 37 8.479 1.126 -7.394 1.00 10.00 C ATOM 594 CG LYS A 37 6.951 1.080 -7.589 1.00 10.00 C ATOM 595 CD LYS A 37 6.483 1.644 -8.937 1.00 10.00 C ATOM 596 CE LYS A 37 4.950 1.615 -8.998 1.00 10.00 C ATOM 597 NZ LYS A 37 4.436 2.168 -10.277 1.00 10.00 N ATOM 0 H LYS A 37 8.642 -1.455 -7.379 1.00 10.00 H new ATOM 0 HA LYS A 37 9.215 0.616 -9.382 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.701 0.813 -6.374 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.802 2.163 -7.487 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.613 0.047 -7.501 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.474 1.641 -6.785 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.843 2.665 -9.061 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.901 1.057 -9.754 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.601 0.589 -8.880 1.00 10.00 H new ATOM 0 HE3 LYS A 37 4.543 2.188 -8.165 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.428 1.934 -10.376 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.553 3.201 -10.280 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.967 1.757 -11.071 1.00 10.00 H new ATOM 611 N GLY A 38 11.362 -0.562 -7.265 1.00 10.00 N ATOM 612 CA GLY A 38 12.746 -0.621 -6.782 1.00 10.00 C ATOM 613 C GLY A 38 12.975 0.079 -5.433 1.00 10.00 C ATOM 614 O GLY A 38 12.291 1.047 -5.090 1.00 10.00 O ATOM 0 H GLY A 38 10.823 -1.381 -6.983 1.00 10.00 H new ATOM 0 HA2 GLY A 38 13.043 -1.666 -6.691 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.399 -0.168 -7.528 1.00 10.00 H new ATOM 618 N LYS A 39 14.019 -0.350 -4.706 1.00 10.00 N ATOM 619 CA LYS A 39 14.604 0.349 -3.532 1.00 10.00 C ATOM 620 C LYS A 39 14.925 1.814 -3.836 1.00 10.00 C ATOM 621 O LYS A 39 14.791 2.689 -2.985 1.00 10.00 O ATOM 622 CB LYS A 39 15.933 -0.305 -3.098 1.00 10.00 C ATOM 623 CG LYS A 39 15.868 -1.704 -2.479 1.00 10.00 C ATOM 624 CD LYS A 39 15.421 -2.802 -3.452 1.00 10.00 C ATOM 625 CE LYS A 39 15.890 -4.200 -3.033 1.00 10.00 C ATOM 626 NZ LYS A 39 15.390 -4.602 -1.692 1.00 10.00 N ATOM 0 H LYS A 39 14.502 -1.223 -4.920 1.00 10.00 H new ATOM 0 HA LYS A 39 13.852 0.279 -2.746 1.00 10.00 H new ATOM 0 HB2 LYS A 39 16.584 -0.354 -3.971 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.414 0.358 -2.379 1.00 10.00 H new ATOM 0 HG2 LYS A 39 16.852 -1.961 -2.086 1.00 10.00 H new ATOM 0 HG3 LYS A 39 15.182 -1.683 -1.632 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.333 -2.796 -3.524 1.00 10.00 H new ATOM 0 HD3 LYS A 39 15.807 -2.578 -4.446 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.554 -4.927 -3.773 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.980 -4.227 -3.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.807 -5.517 -1.426 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.659 -3.882 -0.991 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.354 -4.688 -1.719 1.00 10.00 H new ATOM 640 N ASP A 40 15.338 2.059 -5.077 1.00 10.00 N ATOM 641 CA ASP A 40 15.646 3.376 -5.651 1.00 10.00 C ATOM 642 C ASP A 40 14.466 4.377 -5.620 1.00 10.00 C ATOM 643 O ASP A 40 14.687 5.583 -5.742 1.00 10.00 O ATOM 644 CB ASP A 40 16.149 3.159 -7.087 1.00 10.00 C ATOM 645 CG ASP A 40 16.708 4.442 -7.729 1.00 10.00 C ATOM 646 OD1 ASP A 40 17.749 4.955 -7.248 1.00 10.00 O ATOM 647 OD2 ASP A 40 16.138 4.915 -8.741 1.00 10.00 O ATOM 0 H ASP A 40 15.476 1.305 -5.750 1.00 10.00 H new ATOM 0 HA ASP A 40 16.412 3.840 -5.029 1.00 10.00 H new ATOM 0 HB2 ASP A 40 16.925 2.394 -7.082 1.00 10.00 H new ATOM 0 HB3 ASP A 40 15.331 2.780 -7.699 1.00 10.00 H new ATOM 652 N ALA A 41 13.228 3.899 -5.422 1.00 10.00 N ATOM 653 CA ALA A 41 12.015 4.723 -5.408 1.00 10.00 C ATOM 654 C ALA A 41 11.082 4.463 -4.208 1.00 10.00 C ATOM 655 O ALA A 41 10.518 5.427 -3.687 1.00 10.00 O ATOM 656 CB ALA A 41 11.282 4.508 -6.735 1.00 10.00 C ATOM 0 H ALA A 41 13.041 2.909 -5.264 1.00 10.00 H new ATOM 0 HA ALA A 41 12.321 5.763 -5.291 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.374 5.111 -6.751 1.00 10.00 H new ATOM 0 HB2 ALA A 41 11.929 4.805 -7.560 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.020 3.455 -6.840 1.00 10.00 H new ATOM 662 N PHE A 42 10.934 3.215 -3.739 1.00 10.00 N ATOM 663 CA PHE A 42 10.030 2.838 -2.634 1.00 10.00 C ATOM 664 C PHE A 42 10.675 1.789 -1.701 1.00 10.00 C ATOM 665 O PHE A 42 10.226 0.639 -1.653 1.00 10.00 O ATOM 666 CB PHE A 42 8.665 2.379 -3.180 1.00 10.00 C ATOM 667 CG PHE A 42 7.811 3.500 -3.737 1.00 10.00 C ATOM 668 CD1 PHE A 42 7.951 3.893 -5.080 1.00 10.00 C ATOM 669 CD2 PHE A 42 6.904 4.182 -2.902 1.00 10.00 C ATOM 670 CE1 PHE A 42 7.225 4.988 -5.580 1.00 10.00 C ATOM 671 CE2 PHE A 42 6.179 5.281 -3.398 1.00 10.00 C ATOM 672 CZ PHE A 42 6.350 5.692 -4.733 1.00 10.00 C ATOM 0 H PHE A 42 11.448 2.422 -4.122 1.00 10.00 H new ATOM 0 HA PHE A 42 9.854 3.723 -2.022 1.00 10.00 H new ATOM 0 HB2 PHE A 42 8.830 1.639 -3.963 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.115 1.881 -2.381 1.00 10.00 H new ATOM 0 HD1 PHE A 42 8.620 3.350 -5.731 1.00 10.00 H new ATOM 0 HD2 PHE A 42 6.765 3.861 -1.880 1.00 10.00 H new ATOM 0 HE1 PHE A 42 7.339 5.288 -6.611 1.00 10.00 H new ATOM 0 HE2 PHE A 42 5.491 5.809 -2.754 1.00 10.00 H new ATOM 0 HZ PHE A 42 5.809 6.548 -5.107 1.00 10.00 H new ATOM 682 N PRO A 43 11.740 2.153 -0.962 1.00 10.00 N ATOM 683 CA PRO A 43 12.422 1.238 -0.052 1.00 10.00 C ATOM 684 C PRO A 43 11.515 0.851 1.123 1.00 10.00 C ATOM 685 O PRO A 43 10.940 1.716 1.785 1.00 10.00 O ATOM 686 CB PRO A 43 13.684 1.974 0.405 1.00 10.00 C ATOM 687 CG PRO A 43 13.275 3.441 0.328 1.00 10.00 C ATOM 688 CD PRO A 43 12.302 3.491 -0.849 1.00 10.00 C ATOM 0 HA PRO A 43 12.680 0.297 -0.537 1.00 10.00 H new ATOM 0 HB2 PRO A 43 13.973 1.689 1.416 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.534 1.758 -0.243 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.801 3.773 1.252 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.137 4.088 0.162 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.519 4.230 -0.677 1.00 10.00 H new ATOM 0 HD3 PRO A 43 12.815 3.778 -1.767 1.00 10.00 H new ATOM 696 N VAL A 44 11.410 -0.442 1.434 1.00 10.00 N ATOM 697 CA VAL A 44 10.658 -0.965 2.599 1.00 10.00 C ATOM 698 C VAL A 44 11.104 -0.324 3.924 1.00 10.00 C ATOM 699 O VAL A 44 10.280 -0.102 4.813 1.00 10.00 O ATOM 700 CB VAL A 44 10.758 -2.505 2.634 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.236 -3.131 3.935 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.932 -3.094 1.482 1.00 10.00 C ATOM 0 H VAL A 44 11.850 -1.177 0.879 1.00 10.00 H new ATOM 0 HA VAL A 44 9.611 -0.688 2.480 1.00 10.00 H new ATOM 0 HB VAL A 44 11.820 -2.737 2.550 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.339 -4.215 3.884 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.812 -2.751 4.779 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.185 -2.872 4.067 1.00 10.00 H new ATOM 0 HG21 VAL A 44 10.001 -4.182 1.504 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.890 -2.794 1.591 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.318 -2.725 0.532 1.00 10.00 H new ATOM 712 N ALA A 45 12.383 0.047 4.027 1.00 10.00 N ATOM 713 CA ALA A 45 12.979 0.753 5.164 1.00 10.00 C ATOM 714 C ALA A 45 12.538 2.228 5.340 1.00 10.00 C ATOM 715 O ALA A 45 12.861 2.832 6.366 1.00 10.00 O ATOM 716 CB ALA A 45 14.500 0.674 4.988 1.00 10.00 C ATOM 0 H ALA A 45 13.060 -0.145 3.289 1.00 10.00 H new ATOM 0 HA ALA A 45 12.628 0.264 6.073 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.989 1.189 5.815 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.811 -0.371 4.976 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.783 1.148 4.048 1.00 10.00 H new ATOM 722 N GLY A 46 11.840 2.824 4.362 1.00 10.00 N ATOM 723 CA GLY A 46 11.532 4.265 4.335 1.00 10.00 C ATOM 724 C GLY A 46 10.163 4.660 3.764 1.00 10.00 C ATOM 725 O GLY A 46 9.755 5.815 3.916 1.00 10.00 O ATOM 0 H GLY A 46 11.469 2.316 3.559 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.601 4.648 5.353 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.303 4.768 3.752 1.00 10.00 H new ATOM 729 N GLN A 47 9.428 3.743 3.123 1.00 10.00 N ATOM 730 CA GLN A 47 8.061 4.021 2.659 1.00 10.00 C ATOM 731 C GLN A 47 7.027 4.074 3.809 1.00 10.00 C ATOM 732 O GLN A 47 7.196 3.442 4.857 1.00 10.00 O ATOM 733 CB GLN A 47 7.649 3.045 1.540 1.00 10.00 C ATOM 734 CG GLN A 47 7.475 1.593 2.005 1.00 10.00 C ATOM 735 CD GLN A 47 6.923 0.697 0.900 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.741 0.720 0.588 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.726 -0.148 0.295 1.00 10.00 N ATOM 0 H GLN A 47 9.757 2.800 2.913 1.00 10.00 H new ATOM 0 HA GLN A 47 8.068 5.025 2.235 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.713 3.389 1.100 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.401 3.075 0.752 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.436 1.203 2.341 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.803 1.566 2.863 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.715 -0.179 0.544 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.361 -0.773 -0.424 1.00 10.00 H new ATOM 746 N LYS A 48 5.924 4.792 3.575 1.00 10.00 N ATOM 747 CA LYS A 48 4.751 4.978 4.446 1.00 10.00 C ATOM 748 C LYS A 48 3.471 4.949 3.595 1.00 10.00 C ATOM 749 O LYS A 48 3.513 5.248 2.403 1.00 10.00 O ATOM 750 CB LYS A 48 4.930 6.309 5.198 1.00 10.00 C ATOM 751 CG LYS A 48 3.805 6.609 6.201 1.00 10.00 C ATOM 752 CD LYS A 48 4.127 7.875 7.000 1.00 10.00 C ATOM 753 CE LYS A 48 3.023 8.129 8.036 1.00 10.00 C ATOM 754 NZ LYS A 48 3.316 9.315 8.882 1.00 10.00 N ATOM 0 H LYS A 48 5.816 5.302 2.698 1.00 10.00 H new ATOM 0 HA LYS A 48 4.662 4.175 5.178 1.00 10.00 H new ATOM 0 HB2 LYS A 48 5.882 6.291 5.728 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.984 7.121 4.473 1.00 10.00 H new ATOM 0 HG2 LYS A 48 2.861 6.736 5.671 1.00 10.00 H new ATOM 0 HG3 LYS A 48 3.679 5.765 6.879 1.00 10.00 H new ATOM 0 HD2 LYS A 48 5.090 7.766 7.500 1.00 10.00 H new ATOM 0 HD3 LYS A 48 4.212 8.729 6.328 1.00 10.00 H new ATOM 0 HE2 LYS A 48 2.072 8.275 7.524 1.00 10.00 H new ATOM 0 HE3 LYS A 48 2.912 7.250 8.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 2.823 9.222 9.793 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 4.341 9.379 9.048 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 2.989 10.176 8.398 1.00 10.00 H new ATOM 768 N LEU A 49 2.339 4.573 4.190 1.00 10.00 N ATOM 769 CA LEU A 49 1.093 4.246 3.503 1.00 10.00 C ATOM 770 C LEU A 49 -0.118 4.798 4.288 1.00 10.00 C ATOM 771 O LEU A 49 -0.170 4.673 5.514 1.00 10.00 O ATOM 772 CB LEU A 49 1.079 2.707 3.428 1.00 10.00 C ATOM 773 CG LEU A 49 -0.034 2.138 2.549 1.00 10.00 C ATOM 774 CD1 LEU A 49 0.233 2.395 1.069 1.00 10.00 C ATOM 775 CD2 LEU A 49 -0.122 0.631 2.755 1.00 10.00 C ATOM 0 H LEU A 49 2.264 4.485 5.203 1.00 10.00 H new ATOM 0 HA LEU A 49 1.028 4.692 2.510 1.00 10.00 H new ATOM 0 HB2 LEU A 49 2.041 2.363 3.047 1.00 10.00 H new ATOM 0 HB3 LEU A 49 0.973 2.305 4.436 1.00 10.00 H new ATOM 0 HG LEU A 49 -0.963 2.631 2.834 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.579 1.976 0.475 1.00 10.00 H new ATOM 0 HD12 LEU A 49 0.296 3.469 0.892 1.00 10.00 H new ATOM 0 HD13 LEU A 49 1.173 1.924 0.782 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -0.916 0.224 2.129 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.828 0.170 2.483 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.341 0.419 3.802 1.00 10.00 H new ATOM 787 N ILE A 50 -1.097 5.381 3.591 1.00 10.00 N ATOM 788 CA ILE A 50 -2.284 6.043 4.164 1.00 10.00 C ATOM 789 C ILE A 50 -3.546 5.676 3.376 1.00 10.00 C ATOM 790 O ILE A 50 -3.535 5.718 2.148 1.00 10.00 O ATOM 791 CB ILE A 50 -2.079 7.585 4.151 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.048 8.077 5.193 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.391 8.370 4.345 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.482 7.890 6.653 1.00 10.00 C ATOM 0 H ILE A 50 -1.089 5.409 2.571 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.411 5.701 5.191 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.689 7.787 3.154 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.109 7.546 5.035 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -0.850 9.135 5.018 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.181 9.439 4.326 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.085 8.122 3.542 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -3.836 8.104 5.304 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -0.700 8.262 7.315 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.403 8.444 6.832 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -1.651 6.831 6.850 1.00 10.00 H new ATOM 806 N TYR A 51 -4.666 5.431 4.067 1.00 10.00 N ATOM 807 CA TYR A 51 -5.990 5.254 3.450 1.00 10.00 C ATOM 808 C TYR A 51 -6.949 6.381 3.862 1.00 10.00 C ATOM 809 O TYR A 51 -7.710 6.267 4.826 1.00 10.00 O ATOM 810 CB TYR A 51 -6.540 3.842 3.712 1.00 10.00 C ATOM 811 CG TYR A 51 -7.897 3.549 3.082 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.163 3.892 1.740 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.901 2.922 3.845 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.421 3.619 1.171 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.173 2.679 3.291 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.435 3.021 1.946 1.00 10.00 C ATOM 817 OH TYR A 51 -11.650 2.758 1.388 1.00 10.00 O ATOM 0 H TYR A 51 -4.680 5.349 5.084 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.886 5.335 2.368 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.819 3.114 3.340 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.617 3.693 4.789 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.397 4.367 1.145 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.694 2.625 4.863 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.610 3.869 0.137 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.948 2.231 3.895 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.235 2.344 2.057 1.00 10.00 H new ATOM 827 N ALA A 52 -6.861 7.504 3.138 1.00 10.00 N ATOM 828 CA ALA A 52 -7.691 8.711 3.285 1.00 10.00 C ATOM 829 C ALA A 52 -7.725 9.321 4.710 1.00 10.00 C ATOM 830 O ALA A 52 -8.713 9.944 5.109 1.00 10.00 O ATOM 831 CB ALA A 52 -9.078 8.421 2.684 1.00 10.00 C ATOM 0 H ALA A 52 -6.172 7.602 2.393 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.220 9.517 2.723 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.709 9.304 2.783 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.972 8.167 1.629 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.537 7.586 3.214 1.00 10.00 H new ATOM 837 N GLY A 53 -6.651 9.123 5.489 1.00 10.00 N ATOM 838 CA GLY A 53 -6.486 9.642 6.859 1.00 10.00 C ATOM 839 C GLY A 53 -6.146 8.573 7.908 1.00 10.00 C ATOM 840 O GLY A 53 -5.877 8.910 9.064 1.00 10.00 O ATOM 0 H GLY A 53 -5.847 8.580 5.175 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -5.697 10.394 6.856 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -7.406 10.145 7.157 1.00 10.00 H new ATOM 844 N LYS A 54 -6.148 7.291 7.517 1.00 10.00 N ATOM 845 CA LYS A 54 -5.888 6.125 8.382 1.00 10.00 C ATOM 846 C LYS A 54 -4.447 5.664 8.194 1.00 10.00 C ATOM 847 O LYS A 54 -3.964 5.616 7.061 1.00 10.00 O ATOM 848 CB LYS A 54 -6.846 4.974 8.019 1.00 10.00 C ATOM 849 CG LYS A 54 -8.329 5.379 8.046 1.00 10.00 C ATOM 850 CD LYS A 54 -9.239 4.219 7.607 1.00 10.00 C ATOM 851 CE LYS A 54 -10.549 4.737 6.998 1.00 10.00 C ATOM 852 NZ LYS A 54 -10.346 5.293 5.630 1.00 10.00 N ATOM 0 H LYS A 54 -6.338 7.024 6.551 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.050 6.410 9.422 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.597 4.604 7.024 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -6.690 4.149 8.714 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -8.602 5.696 9.052 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -8.486 6.234 7.389 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.716 3.600 6.878 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -9.460 3.583 8.464 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -11.275 3.925 6.956 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.970 5.508 7.644 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -11.139 5.922 5.390 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -9.456 5.831 5.602 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -10.301 4.514 4.942 1.00 10.00 H new ATOM 866 N ILE A 55 -3.778 5.303 9.288 1.00 10.00 N ATOM 867 CA ILE A 55 -2.340 4.998 9.317 1.00 10.00 C ATOM 868 C ILE A 55 -2.161 3.476 9.289 1.00 10.00 C ATOM 869 O ILE A 55 -2.294 2.789 10.304 1.00 10.00 O ATOM 870 CB ILE A 55 -1.643 5.673 10.523 1.00 10.00 C ATOM 871 CG1 ILE A 55 -1.897 7.201 10.530 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.128 5.385 10.474 1.00 10.00 C ATOM 873 CD1 ILE A 55 -1.383 7.921 11.782 1.00 10.00 C ATOM 0 H ILE A 55 -4.226 5.211 10.200 1.00 10.00 H new ATOM 0 HA ILE A 55 -1.851 5.414 8.436 1.00 10.00 H new ATOM 0 HB ILE A 55 -2.061 5.259 11.441 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -1.423 7.640 9.652 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -2.968 7.380 10.437 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.361 5.861 11.324 1.00 10.00 H new ATOM 0 HG22 ILE A 55 0.039 4.309 10.516 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.288 5.781 9.548 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -1.602 8.986 11.705 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -1.875 7.513 12.665 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -0.306 7.777 11.868 1.00 10.00 H new ATOM 885 N LEU A 56 -1.932 2.949 8.085 1.00 10.00 N ATOM 886 CA LEU A 56 -1.802 1.516 7.814 1.00 10.00 C ATOM 887 C LEU A 56 -0.530 0.931 8.470 1.00 10.00 C ATOM 888 O LEU A 56 0.512 1.590 8.541 1.00 10.00 O ATOM 889 CB LEU A 56 -1.877 1.310 6.287 1.00 10.00 C ATOM 890 CG LEU A 56 -3.318 1.111 5.770 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.294 2.230 6.150 1.00 10.00 C ATOM 892 CD2 LEU A 56 -3.331 1.003 4.248 1.00 10.00 C ATOM 0 H LEU A 56 -1.829 3.523 7.248 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.621 0.958 8.269 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.435 2.173 5.788 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.277 0.442 6.014 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.653 0.193 6.253 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -5.281 2.006 5.745 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.356 2.305 7.236 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.940 3.176 5.740 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -4.355 0.863 3.902 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -2.923 1.916 3.815 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -2.724 0.152 3.938 1.00 10.00 H new ATOM 904 N ASN A 57 -0.630 -0.301 8.976 1.00 10.00 N ATOM 905 CA ASN A 57 0.274 -0.883 9.972 1.00 10.00 C ATOM 906 C ASN A 57 0.795 -2.281 9.572 1.00 10.00 C ATOM 907 O ASN A 57 0.033 -3.182 9.220 1.00 10.00 O ATOM 908 CB ASN A 57 -0.498 -0.923 11.305 1.00 10.00 C ATOM 909 CG ASN A 57 0.317 -1.542 12.429 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.482 -1.227 12.625 1.00 10.00 O ATOM 911 ND2 ASN A 57 -0.232 -2.467 13.182 1.00 10.00 N ATOM 0 H ASN A 57 -1.370 -0.944 8.693 1.00 10.00 H new ATOM 0 HA ASN A 57 1.171 -0.269 10.056 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.787 0.090 11.585 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.418 -1.492 11.172 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.313 -2.913 13.920 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.203 -2.739 13.029 1.00 10.00 H new ATOM 918 N ASP A 58 2.106 -2.493 9.693 1.00 10.00 N ATOM 919 CA ASP A 58 2.805 -3.740 9.328 1.00 10.00 C ATOM 920 C ASP A 58 2.380 -4.994 10.126 1.00 10.00 C ATOM 921 O ASP A 58 2.726 -6.113 9.746 1.00 10.00 O ATOM 922 CB ASP A 58 4.317 -3.503 9.460 1.00 10.00 C ATOM 923 CG ASP A 58 4.835 -2.537 8.387 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.812 -2.889 7.184 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.287 -1.419 8.731 1.00 10.00 O ATOM 0 H ASP A 58 2.738 -1.781 10.060 1.00 10.00 H new ATOM 0 HA ASP A 58 2.520 -3.968 8.301 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.537 -3.101 10.449 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.843 -4.454 9.378 1.00 10.00 H new ATOM 930 N ASP A 59 1.603 -4.833 11.201 1.00 10.00 N ATOM 931 CA ASP A 59 1.156 -5.908 12.101 1.00 10.00 C ATOM 932 C ASP A 59 -0.385 -6.052 12.155 1.00 10.00 C ATOM 933 O ASP A 59 -0.916 -6.782 12.996 1.00 10.00 O ATOM 934 CB ASP A 59 1.789 -5.666 13.484 1.00 10.00 C ATOM 935 CG ASP A 59 1.669 -6.873 14.435 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.090 -7.994 14.057 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.209 -6.693 15.591 1.00 10.00 O ATOM 0 H ASP A 59 1.253 -3.917 11.482 1.00 10.00 H new ATOM 0 HA ASP A 59 1.495 -6.869 11.713 1.00 10.00 H new ATOM 0 HB2 ASP A 59 2.843 -5.419 13.354 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.313 -4.801 13.946 1.00 10.00 H new ATOM 942 N THR A 60 -1.118 -5.393 11.246 1.00 10.00 N ATOM 943 CA THR A 60 -2.590 -5.420 11.170 1.00 10.00 C ATOM 944 C THR A 60 -3.041 -5.685 9.727 1.00 10.00 C ATOM 945 O THR A 60 -2.439 -5.198 8.765 1.00 10.00 O ATOM 946 CB THR A 60 -3.167 -4.109 11.735 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.792 -3.925 13.087 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.688 -4.014 11.659 1.00 10.00 C ATOM 0 H THR A 60 -0.695 -4.811 10.524 1.00 10.00 H new ATOM 0 HA THR A 60 -2.976 -6.236 11.781 1.00 10.00 H new ATOM 0 HB THR A 60 -2.745 -3.331 11.099 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.170 -3.084 13.420 1.00 10.00 H new ATOM 0 HG21 THR A 60 -5.014 -3.062 12.077 1.00 10.00 H new ATOM 0 HG22 THR A 60 -5.005 -4.082 10.618 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.132 -4.831 12.227 1.00 10.00 H new ATOM 956 N ALA A 61 -4.066 -6.528 9.566 1.00 10.00 N ATOM 957 CA ALA A 61 -4.508 -7.041 8.269 1.00 10.00 C ATOM 958 C ALA A 61 -5.267 -6.010 7.417 1.00 10.00 C ATOM 959 O ALA A 61 -6.016 -5.182 7.942 1.00 10.00 O ATOM 960 CB ALA A 61 -5.364 -8.285 8.501 1.00 10.00 C ATOM 0 H ALA A 61 -4.620 -6.878 10.348 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.615 -7.287 7.694 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.701 -8.679 7.542 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.773 -9.042 9.017 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -6.229 -8.023 9.110 1.00 10.00 H new ATOM 966 N LEU A 62 -5.135 -6.119 6.089 1.00 10.00 N ATOM 967 CA LEU A 62 -5.760 -5.249 5.086 1.00 10.00 C ATOM 968 C LEU A 62 -7.267 -4.994 5.304 1.00 10.00 C ATOM 969 O LEU A 62 -7.726 -3.862 5.138 1.00 10.00 O ATOM 970 CB LEU A 62 -5.481 -5.866 3.702 1.00 10.00 C ATOM 971 CG LEU A 62 -4.218 -5.372 2.974 1.00 10.00 C ATOM 972 CD1 LEU A 62 -4.454 -4.004 2.332 1.00 10.00 C ATOM 973 CD2 LEU A 62 -2.950 -5.272 3.823 1.00 10.00 C ATOM 0 H LEU A 62 -4.563 -6.850 5.666 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.318 -4.257 5.174 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.407 -6.947 3.819 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -6.342 -5.673 3.062 1.00 10.00 H new ATOM 0 HG LEU A 62 -4.040 -6.151 2.232 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -3.546 -3.679 1.825 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -5.267 -4.076 1.610 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -4.717 -3.281 3.104 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.126 -4.914 3.206 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.117 -4.576 4.645 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -2.702 -6.255 4.224 1.00 10.00 H new ATOM 985 N LYS A 63 -8.044 -6.009 5.706 1.00 10.00 N ATOM 986 CA LYS A 63 -9.498 -5.862 5.913 1.00 10.00 C ATOM 987 C LYS A 63 -9.909 -5.007 7.123 1.00 10.00 C ATOM 988 O LYS A 63 -11.009 -4.460 7.130 1.00 10.00 O ATOM 989 CB LYS A 63 -10.195 -7.236 5.884 1.00 10.00 C ATOM 990 CG LYS A 63 -10.340 -8.009 7.208 1.00 10.00 C ATOM 991 CD LYS A 63 -9.038 -8.342 7.953 1.00 10.00 C ATOM 992 CE LYS A 63 -9.414 -9.198 9.177 1.00 10.00 C ATOM 993 NZ LYS A 63 -8.246 -9.566 10.022 1.00 10.00 N ATOM 0 H LYS A 63 -7.691 -6.947 5.896 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.856 -5.276 5.067 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.194 -7.094 5.471 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.649 -7.871 5.186 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.976 -7.427 7.875 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.864 -8.942 7.003 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -8.351 -8.883 7.302 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.530 -7.429 8.264 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -10.135 -8.652 9.785 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.908 -10.108 8.837 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -8.565 -10.155 10.818 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -7.559 -10.098 9.451 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -7.797 -8.703 10.389 1.00 10.00 H new ATOM 1007 N GLU A 64 -9.042 -4.840 8.125 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.342 -4.065 9.346 1.00 10.00 C ATOM 1009 C GLU A 64 -9.279 -2.543 9.121 1.00 10.00 C ATOM 1010 O GLU A 64 -9.862 -1.781 9.894 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.406 -4.497 10.488 1.00 10.00 C ATOM 1012 CG GLU A 64 -8.890 -5.815 11.106 1.00 10.00 C ATOM 1013 CD GLU A 64 -7.809 -6.473 11.979 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -7.608 -6.048 13.140 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -7.185 -7.453 11.503 1.00 10.00 O ATOM 0 H GLU A 64 -8.103 -5.239 8.118 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.372 -4.286 9.625 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.391 -4.617 10.109 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.372 -3.721 11.252 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.779 -5.628 11.709 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.182 -6.502 10.312 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.654 -2.101 8.026 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.724 -0.704 7.551 1.00 10.00 C ATOM 1024 C TYR A 65 -9.991 -0.419 6.719 1.00 10.00 C ATOM 1025 O TYR A 65 -10.211 0.722 6.301 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.474 -0.352 6.732 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.175 -0.833 7.340 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -5.680 -0.265 8.532 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.495 -1.902 6.730 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -4.509 -0.779 9.113 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.338 -2.434 7.319 1.00 10.00 C ATOM 1032 CZ TYR A 65 -3.845 -1.859 8.503 1.00 10.00 C ATOM 1033 OH TYR A 65 -2.708 -2.329 9.056 1.00 10.00 O ATOM 0 H TYR A 65 -8.079 -2.702 7.435 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.771 -0.075 8.440 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.575 -0.780 5.735 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.426 0.730 6.611 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.199 0.561 8.996 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.865 -2.316 5.804 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -4.120 -0.347 10.023 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.832 -3.275 6.868 1.00 10.00 H new ATOM 0 HH TYR A 65 -2.646 -3.295 8.906 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.817 -1.450 6.464 1.00 10.00 N ATOM 1044 CA LYS A 66 -12.033 -1.435 5.628 1.00 10.00 C ATOM 1045 C LYS A 66 -11.814 -0.813 4.236 1.00 10.00 C ATOM 1046 O LYS A 66 -12.627 -0.014 3.760 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.212 -0.829 6.418 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.508 -1.612 7.712 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.772 -1.126 8.436 1.00 10.00 C ATOM 1050 CE LYS A 66 -14.624 0.309 8.961 1.00 10.00 C ATOM 1051 NZ LYS A 66 -15.831 0.741 9.713 1.00 10.00 N ATOM 0 H LYS A 66 -10.643 -2.374 6.860 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.298 -2.467 5.399 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -12.986 0.208 6.666 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -14.102 -0.820 5.789 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.618 -2.670 7.472 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.655 -1.525 8.385 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -15.621 -1.176 7.754 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -14.992 -1.795 9.268 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -13.749 0.372 9.608 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.453 0.987 8.125 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -15.698 1.715 10.054 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.661 0.703 9.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -15.980 0.108 10.524 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.693 -1.158 3.591 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.362 -0.714 2.225 1.00 10.00 C ATOM 1067 C ILE A 67 -11.382 -1.289 1.227 1.00 10.00 C ATOM 1068 O ILE A 67 -11.883 -2.402 1.405 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.902 -1.046 1.832 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.945 -0.777 3.013 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.482 -0.226 0.592 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.458 -0.825 2.669 1.00 10.00 C ATOM 0 H ILE A 67 -9.981 -1.760 4.004 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.430 0.373 2.195 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.843 -2.105 1.583 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -8.174 0.204 3.429 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -8.144 -1.509 3.795 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.453 -0.469 0.326 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -9.139 -0.467 -0.243 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.557 0.838 0.817 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.871 -0.623 3.565 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -6.205 -1.813 2.284 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -6.235 -0.073 1.912 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.679 -0.538 0.166 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.652 -0.900 -0.871 1.00 10.00 C ATOM 1086 C ASP A 68 -11.997 -0.895 -2.262 1.00 10.00 C ATOM 1087 O ASP A 68 -11.200 -0.011 -2.581 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.841 0.068 -0.801 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.948 -0.345 -1.779 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.831 -0.013 -2.979 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.917 -1.019 -1.353 1.00 10.00 O ATOM 0 H ASP A 68 -11.237 0.366 -0.003 1.00 10.00 H new ATOM 0 HA ASP A 68 -13.014 -1.913 -0.696 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -14.238 0.089 0.214 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.505 1.079 -1.033 1.00 10.00 H new ATOM 1096 N GLU A 69 -12.330 -1.886 -3.096 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.687 -2.120 -4.400 1.00 10.00 C ATOM 1098 C GLU A 69 -11.923 -1.003 -5.440 1.00 10.00 C ATOM 1099 O GLU A 69 -11.235 -0.956 -6.465 1.00 10.00 O ATOM 1100 CB GLU A 69 -12.123 -3.484 -4.974 1.00 10.00 C ATOM 1101 CG GLU A 69 -11.974 -4.650 -3.982 1.00 10.00 C ATOM 1102 CD GLU A 69 -12.044 -6.013 -4.698 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -13.152 -6.423 -5.124 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -10.994 -6.689 -4.825 1.00 10.00 O ATOM 0 H GLU A 69 -13.065 -2.560 -2.883 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.615 -2.118 -4.203 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -13.164 -3.419 -5.290 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.532 -3.699 -5.864 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -11.023 -4.562 -3.456 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -12.761 -4.592 -3.230 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.863 -0.081 -5.177 1.00 10.00 N ATOM 1112 CA LYS A 70 -13.187 1.086 -6.021 1.00 10.00 C ATOM 1113 C LYS A 70 -12.548 2.391 -5.518 1.00 10.00 C ATOM 1114 O LYS A 70 -12.543 3.389 -6.241 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.703 1.259 -6.096 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.400 -0.018 -6.584 1.00 10.00 C ATOM 1117 CD LYS A 70 -16.873 0.304 -6.792 1.00 10.00 C ATOM 1118 CE LYS A 70 -17.648 -0.958 -7.186 1.00 10.00 C ATOM 1119 NZ LYS A 70 -19.091 -0.669 -7.392 1.00 10.00 N ATOM 0 H LYS A 70 -13.442 -0.128 -4.339 1.00 10.00 H new ATOM 0 HA LYS A 70 -12.772 0.887 -7.009 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -15.087 1.529 -5.112 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -14.942 2.083 -6.769 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -14.951 -0.367 -7.514 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -15.284 -0.819 -5.854 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -17.292 0.725 -5.878 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -16.980 1.061 -7.569 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -17.225 -1.375 -8.100 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -17.535 -1.713 -6.409 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -19.586 -1.544 -7.657 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -19.499 -0.294 -6.512 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -19.199 0.034 -8.151 1.00 10.00 H new ATOM 1133 N ASN A 71 -11.999 2.379 -4.303 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.305 3.511 -3.675 1.00 10.00 C ATOM 1135 C ASN A 71 -9.769 3.367 -3.799 1.00 10.00 C ATOM 1136 O ASN A 71 -9.263 2.344 -4.267 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.769 3.623 -2.204 1.00 10.00 C ATOM 1138 CG ASN A 71 -11.629 5.023 -1.617 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -11.246 5.981 -2.273 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -11.935 5.188 -0.353 1.00 10.00 N ATOM 0 H ASN A 71 -12.025 1.553 -3.705 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.562 4.435 -4.193 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -12.812 3.315 -2.138 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.192 2.926 -1.597 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -11.853 6.110 0.075 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.255 4.394 0.202 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.022 4.387 -3.367 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.556 4.420 -3.420 1.00 10.00 C ATOM 1149 C PHE A 72 -6.907 4.870 -2.105 1.00 10.00 C ATOM 1150 O PHE A 72 -7.532 5.497 -1.248 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.070 5.249 -4.625 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.506 6.703 -4.682 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.999 7.649 -3.768 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.380 7.126 -5.702 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.389 8.998 -3.857 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.749 8.477 -5.807 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.264 9.413 -4.877 1.00 10.00 C ATOM 0 H PHE A 72 -9.427 5.231 -2.962 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.224 3.391 -3.562 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -5.980 5.221 -4.638 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.412 4.757 -5.535 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.309 7.337 -2.997 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.769 6.407 -6.408 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -7.016 9.716 -3.141 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.406 8.797 -6.603 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.563 10.449 -4.946 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.623 4.536 -1.967 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.750 4.794 -0.818 1.00 10.00 C ATOM 1169 C VAL A 73 -3.483 5.499 -1.331 1.00 10.00 C ATOM 1170 O VAL A 73 -3.085 5.305 -2.482 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.466 3.499 -0.003 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -5.349 2.293 -0.360 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -3.010 3.021 -0.021 1.00 10.00 C ATOM 0 H VAL A 73 -5.129 4.042 -2.710 1.00 10.00 H new ATOM 0 HA VAL A 73 -5.243 5.454 -0.105 1.00 10.00 H new ATOM 0 HB VAL A 73 -4.718 3.844 1.000 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -5.072 1.442 0.263 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -6.395 2.544 -0.187 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -5.206 2.036 -1.410 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -2.918 2.113 0.575 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -2.708 2.813 -1.047 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -2.367 3.796 0.396 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.851 6.335 -0.509 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.671 7.135 -0.889 1.00 10.00 C ATOM 1185 C VAL A 74 -0.405 6.548 -0.255 1.00 10.00 C ATOM 1186 O VAL A 74 -0.430 6.081 0.885 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.842 8.618 -0.496 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.770 9.490 -1.170 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.208 9.182 -0.917 1.00 10.00 C ATOM 0 H VAL A 74 -3.143 6.483 0.457 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.572 7.093 -1.974 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.751 8.648 0.590 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.911 10.531 -0.878 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.220 9.156 -0.858 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.857 9.402 -2.253 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.278 10.228 -0.618 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.315 9.106 -1.999 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -4.002 8.612 -0.433 1.00 10.00 H new ATOM 1199 N VAL A 75 0.714 6.599 -0.981 1.00 10.00 N ATOM 1200 CA VAL A 75 2.040 6.126 -0.551 1.00 10.00 C ATOM 1201 C VAL A 75 3.025 7.302 -0.522 1.00 10.00 C ATOM 1202 O VAL A 75 3.024 8.150 -1.420 1.00 10.00 O ATOM 1203 CB VAL A 75 2.588 5.014 -1.481 1.00 10.00 C ATOM 1204 CG1 VAL A 75 3.647 4.170 -0.761 1.00 10.00 C ATOM 1205 CG2 VAL A 75 1.534 4.053 -2.052 1.00 10.00 C ATOM 0 H VAL A 75 0.726 6.986 -1.924 1.00 10.00 H new ATOM 0 HA VAL A 75 1.932 5.703 0.448 1.00 10.00 H new ATOM 0 HB VAL A 75 3.009 5.566 -2.322 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.016 3.397 -1.435 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.475 4.809 -0.454 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.204 3.703 0.119 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.022 3.315 -2.688 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.023 3.546 -1.234 1.00 10.00 H new ATOM 0 HG23 VAL A 75 0.809 4.616 -2.640 1.00 10.00 H new ATOM 1215 N MET A 76 3.891 7.332 0.490 1.00 10.00 N ATOM 1216 CA MET A 76 4.902 8.368 0.749 1.00 10.00 C ATOM 1217 C MET A 76 6.260 7.717 1.058 1.00 10.00 C ATOM 1218 O MET A 76 6.310 6.543 1.423 1.00 10.00 O ATOM 1219 CB MET A 76 4.477 9.255 1.936 1.00 10.00 C ATOM 1220 CG MET A 76 3.106 9.929 1.810 1.00 10.00 C ATOM 1221 SD MET A 76 1.668 8.922 2.283 1.00 10.00 S ATOM 1222 CE MET A 76 0.400 10.217 2.235 1.00 10.00 C ATOM 0 H MET A 76 3.911 6.594 1.194 1.00 10.00 H new ATOM 0 HA MET A 76 4.992 8.988 -0.143 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.479 8.645 2.839 1.00 10.00 H new ATOM 0 HB3 MET A 76 5.231 10.031 2.073 1.00 10.00 H new ATOM 0 HG2 MET A 76 3.110 10.830 2.424 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.975 10.248 0.776 1.00 10.00 H new ATOM 0 HE1 MET A 76 -0.567 9.789 2.500 1.00 10.00 H new ATOM 0 HE2 MET A 76 0.656 11.003 2.945 1.00 10.00 H new ATOM 0 HE3 MET A 76 0.348 10.638 1.231 1.00 10.00 H new ATOM 1232 N VAL A 77 7.370 8.453 0.927 1.00 10.00 N ATOM 1233 CA VAL A 77 8.731 7.958 1.229 1.00 10.00 C ATOM 1234 C VAL A 77 9.569 9.037 1.922 1.00 10.00 C ATOM 1235 O VAL A 77 9.582 10.192 1.489 1.00 10.00 O ATOM 1236 CB VAL A 77 9.446 7.469 -0.052 1.00 10.00 C ATOM 1237 CG1 VAL A 77 10.841 6.897 0.241 1.00 10.00 C ATOM 1238 CG2 VAL A 77 8.656 6.361 -0.764 1.00 10.00 C ATOM 0 H VAL A 77 7.355 9.421 0.605 1.00 10.00 H new ATOM 0 HA VAL A 77 8.626 7.112 1.908 1.00 10.00 H new ATOM 0 HB VAL A 77 9.524 8.354 -0.684 1.00 10.00 H new ATOM 0 HG11 VAL A 77 11.302 6.567 -0.690 1.00 10.00 H new ATOM 0 HG12 VAL A 77 11.461 7.667 0.700 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.751 6.050 0.921 1.00 10.00 H new ATOM 0 HG21 VAL A 77 9.195 6.047 -1.658 1.00 10.00 H new ATOM 0 HG22 VAL A 77 8.539 5.510 -0.094 1.00 10.00 H new ATOM 0 HG23 VAL A 77 7.673 6.739 -1.046 1.00 10.00 H new ATOM 1248 N THR A 78 10.302 8.655 2.971 1.00 10.00 N ATOM 1249 CA THR A 78 11.392 9.450 3.563 1.00 10.00 C ATOM 1250 C THR A 78 12.576 8.570 3.986 1.00 10.00 C ATOM 1251 O THR A 78 12.434 7.358 4.173 1.00 10.00 O ATOM 1252 CB THR A 78 10.908 10.345 4.715 1.00 10.00 C ATOM 1253 OG1 THR A 78 11.946 11.254 5.011 1.00 10.00 O ATOM 1254 CG2 THR A 78 10.532 9.588 5.990 1.00 10.00 C ATOM 0 H THR A 78 10.154 7.765 3.446 1.00 10.00 H new ATOM 0 HA THR A 78 11.748 10.118 2.779 1.00 10.00 H new ATOM 0 HB THR A 78 9.994 10.837 4.381 1.00 10.00 H new ATOM 0 HG1 THR A 78 12.039 11.339 5.983 1.00 10.00 H new ATOM 0 HG21 THR A 78 10.202 10.296 6.750 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.726 8.887 5.773 1.00 10.00 H new ATOM 0 HG23 THR A 78 11.400 9.040 6.357 1.00 10.00 H new ATOM 1262 N LYS A 79 13.760 9.177 4.121 1.00 10.00 N ATOM 1263 CA LYS A 79 15.006 8.524 4.562 1.00 10.00 C ATOM 1264 C LYS A 79 15.934 9.416 5.416 1.00 10.00 C ATOM 1265 O LYS A 79 16.410 8.912 6.436 1.00 10.00 O ATOM 1266 CB LYS A 79 15.742 7.938 3.334 1.00 10.00 C ATOM 1267 CG LYS A 79 15.895 6.407 3.390 1.00 10.00 C ATOM 1268 CD LYS A 79 16.831 5.929 4.511 1.00 10.00 C ATOM 1269 CE LYS A 79 16.964 4.401 4.469 1.00 10.00 C ATOM 1270 NZ LYS A 79 17.871 3.902 5.536 1.00 10.00 N ATOM 0 H LYS A 79 13.886 10.169 3.921 1.00 10.00 H new ATOM 0 HA LYS A 79 14.716 7.720 5.239 1.00 10.00 H new ATOM 0 HB2 LYS A 79 15.198 8.209 2.429 1.00 10.00 H new ATOM 0 HB3 LYS A 79 16.730 8.393 3.260 1.00 10.00 H new ATOM 0 HG2 LYS A 79 14.913 5.956 3.530 1.00 10.00 H new ATOM 0 HG3 LYS A 79 16.276 6.052 2.432 1.00 10.00 H new ATOM 0 HD2 LYS A 79 17.812 6.391 4.398 1.00 10.00 H new ATOM 0 HD3 LYS A 79 16.441 6.242 5.480 1.00 10.00 H new ATOM 0 HE2 LYS A 79 15.980 3.946 4.585 1.00 10.00 H new ATOM 0 HE3 LYS A 79 17.344 4.095 3.494 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 17.938 2.866 5.478 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 18.816 4.317 5.411 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 17.494 4.173 6.467 1.00 10.00 H new ATOM 1284 N PRO A 80 16.194 10.702 5.082 1.00 10.00 N ATOM 1285 CA PRO A 80 17.142 11.524 5.848 1.00 10.00 C ATOM 1286 C PRO A 80 16.566 12.140 7.137 1.00 10.00 C ATOM 1287 O PRO A 80 17.340 12.531 8.015 1.00 10.00 O ATOM 1288 CB PRO A 80 17.611 12.610 4.872 1.00 10.00 C ATOM 1289 CG PRO A 80 16.398 12.812 3.968 1.00 10.00 C ATOM 1290 CD PRO A 80 15.813 11.406 3.858 1.00 10.00 C ATOM 0 HA PRO A 80 17.956 10.898 6.214 1.00 10.00 H new ATOM 0 HB2 PRO A 80 17.883 13.528 5.392 1.00 10.00 H new ATOM 0 HB3 PRO A 80 18.487 12.292 4.306 1.00 10.00 H new ATOM 0 HG2 PRO A 80 15.684 13.513 4.401 1.00 10.00 H new ATOM 0 HG3 PRO A 80 16.683 13.208 2.993 1.00 10.00 H new ATOM 0 HD2 PRO A 80 14.729 11.444 3.754 1.00 10.00 H new ATOM 0 HD3 PRO A 80 16.200 10.892 2.978 1.00 10.00 H new ATOM 1298 N LYS A 81 15.233 12.235 7.262 1.00 10.00 N ATOM 1299 CA LYS A 81 14.504 12.806 8.416 1.00 10.00 C ATOM 1300 C LYS A 81 13.150 12.123 8.634 1.00 10.00 C ATOM 1301 O LYS A 81 12.484 11.730 7.676 1.00 10.00 O ATOM 1302 CB LYS A 81 14.261 14.321 8.205 1.00 10.00 C ATOM 1303 CG LYS A 81 15.514 15.214 8.194 1.00 10.00 C ATOM 1304 CD LYS A 81 16.237 15.251 9.554 1.00 10.00 C ATOM 1305 CE LYS A 81 17.566 16.017 9.501 1.00 10.00 C ATOM 1306 NZ LYS A 81 18.594 15.298 8.703 1.00 10.00 N ATOM 0 H LYS A 81 14.602 11.903 6.532 1.00 10.00 H new ATOM 0 HA LYS A 81 15.126 12.640 9.295 1.00 10.00 H new ATOM 0 HB2 LYS A 81 13.736 14.455 7.259 1.00 10.00 H new ATOM 0 HB3 LYS A 81 13.595 14.674 8.992 1.00 10.00 H new ATOM 0 HG2 LYS A 81 16.204 14.853 7.431 1.00 10.00 H new ATOM 0 HG3 LYS A 81 15.229 16.228 7.912 1.00 10.00 H new ATOM 0 HD2 LYS A 81 15.585 15.715 10.294 1.00 10.00 H new ATOM 0 HD3 LYS A 81 16.424 14.231 9.889 1.00 10.00 H new ATOM 0 HE2 LYS A 81 17.398 17.004 9.070 1.00 10.00 H new ATOM 0 HE3 LYS A 81 17.936 16.170 10.515 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 19.454 15.176 9.274 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 18.228 14.365 8.425 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 18.820 15.849 7.851 1.00 10.00 H new ATOM 1320 N ALA A 82 12.714 12.036 9.890 1.00 10.00 N ATOM 1321 CA ALA A 82 11.364 11.606 10.260 1.00 10.00 C ATOM 1322 C ALA A 82 10.341 12.731 9.988 1.00 10.00 C ATOM 1323 O ALA A 82 10.267 13.710 10.735 1.00 10.00 O ATOM 1324 CB ALA A 82 11.374 11.167 11.730 1.00 10.00 C ATOM 0 H ALA A 82 13.298 12.266 10.694 1.00 10.00 H new ATOM 0 HA ALA A 82 11.057 10.757 9.649 1.00 10.00 H new ATOM 0 HB1 ALA A 82 10.374 10.844 12.020 1.00 10.00 H new ATOM 0 HB2 ALA A 82 12.074 10.341 11.858 1.00 10.00 H new ATOM 0 HB3 ALA A 82 11.681 12.004 12.358 1.00 10.00 H new ATOM 1330 N VAL A 83 9.561 12.597 8.909 1.00 10.00 N ATOM 1331 CA VAL A 83 8.546 13.574 8.457 1.00 10.00 C ATOM 1332 C VAL A 83 7.247 12.889 8.002 1.00 10.00 C ATOM 1333 O VAL A 83 7.233 11.695 7.692 1.00 10.00 O ATOM 1334 CB VAL A 83 9.084 14.489 7.332 1.00 10.00 C ATOM 1335 CG1 VAL A 83 10.238 15.376 7.818 1.00 10.00 C ATOM 1336 CG2 VAL A 83 9.557 13.721 6.091 1.00 10.00 C ATOM 0 H VAL A 83 9.616 11.780 8.301 1.00 10.00 H new ATOM 0 HA VAL A 83 8.318 14.195 9.323 1.00 10.00 H new ATOM 0 HB VAL A 83 8.230 15.105 7.050 1.00 10.00 H new ATOM 0 HG11 VAL A 83 10.586 16.003 6.997 1.00 10.00 H new ATOM 0 HG12 VAL A 83 9.891 16.008 8.635 1.00 10.00 H new ATOM 0 HG13 VAL A 83 11.057 14.748 8.168 1.00 10.00 H new ATOM 0 HG21 VAL A 83 9.921 14.426 5.344 1.00 10.00 H new ATOM 0 HG22 VAL A 83 10.361 13.040 6.369 1.00 10.00 H new ATOM 0 HG23 VAL A 83 8.725 13.151 5.677 1.00 10.00 H new ATOM 1346 N SER A 84 6.150 13.653 7.972 1.00 10.00 N ATOM 1347 CA SER A 84 4.807 13.218 7.548 1.00 10.00 C ATOM 1348 C SER A 84 4.171 14.187 6.536 1.00 10.00 C ATOM 1349 O SER A 84 4.564 15.359 6.461 1.00 10.00 O ATOM 1350 CB SER A 84 3.904 13.035 8.770 1.00 10.00 C ATOM 1351 OG SER A 84 2.833 12.162 8.439 1.00 10.00 O ATOM 0 H SER A 84 6.170 14.633 8.254 1.00 10.00 H new ATOM 0 HA SER A 84 4.917 12.261 7.039 1.00 10.00 H new ATOM 0 HB2 SER A 84 4.478 12.626 9.602 1.00 10.00 H new ATOM 0 HB3 SER A 84 3.514 13.999 9.096 1.00 10.00 H new ATOM 0 HG SER A 84 2.255 12.042 9.221 1.00 10.00 H new ATOM 1357 N THR A 85 3.189 13.703 5.765 1.00 10.00 N ATOM 1358 CA THR A 85 2.518 14.417 4.656 1.00 10.00 C ATOM 1359 C THR A 85 0.996 14.280 4.752 1.00 10.00 C ATOM 1360 O THR A 85 0.311 15.328 4.819 1.00 10.00 O ATOM 1361 CB THR A 85 3.008 13.907 3.294 1.00 10.00 C ATOM 1362 OG1 THR A 85 4.419 13.989 3.235 1.00 10.00 O ATOM 1363 CG2 THR A 85 2.452 14.723 2.123 1.00 10.00 C ATOM 1364 OXT THR A 85 0.489 13.136 4.789 1.00 10.00 O ATOM 0 H THR A 85 2.819 12.762 5.898 1.00 10.00 H new ATOM 0 HA THR A 85 2.776 15.472 4.744 1.00 10.00 H new ATOM 0 HB THR A 85 2.657 12.879 3.203 1.00 10.00 H new ATOM 0 HG1 THR A 85 4.730 13.661 2.365 1.00 10.00 H new ATOM 0 HG21 THR A 85 2.831 14.318 1.185 1.00 10.00 H new ATOM 0 HG22 THR A 85 1.363 14.670 2.127 1.00 10.00 H new ATOM 0 HG23 THR A 85 2.765 15.762 2.223 1.00 10.00 H new TER 1372 THR A 85