USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1021 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 19 ASN : amide:sc= -4.74! C(o=-5.6!,f=-7.7!) USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 92 TYR OH : rot 30:sc= -0.829 USER MOD Set 2.1: A 26 SER OG : rot 35:sc= 0.445 USER MOD Set 2.2: A 73 ASN : amide:sc= -0.0409 K(o=0.4,f=-0.93) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 HIS :FLIP no HD1:sc= -3.18 F(o=-4.8!,f=-3.2) USER MOD Single : A 1 ALA N :NH3+ 164:sc= -0.026 (180deg=-0.33) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -38:sc= -2.25! USER MOD Single : A 11 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 12 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.1) USER MOD Single : A 13 GLN :FLIP amide:sc= -3.84! C(o=-6!,f=-3.8!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 15 LYS NZ :NH3+ -147:sc= 0.12 (180deg=-0.00885) USER MOD Single : A 20 SER OG : rot -19:sc= 0.26 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.804 F(o=-2!,f=-0.8) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -178:sc= 0.627 USER MOD Single : A 32 SER OG : rot -51:sc= 0.0185 USER MOD Single : A 33 SER OG : rot -65:sc= 0.335 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 36 HIS : no HE2:sc= -7.86 K(o=-7.9,f=-11!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.6) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 24:sc= 0.103 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -20:sc= 0.291 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -2.93 K(o=-2.9,f=-4.6!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.182 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -5.2! C(o=-5.9!,f=-5.2!) USER MOD Single : A 79 TYR OH : rot 130:sc= -1.58 USER MOD Single : A 90 HIS :FLIP no HE2:sc= -0.987 F(o=-2.5,f=-0.99) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= -1.01 (180deg=-1.54) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 156:sc= -0.0332 (180deg=-0.227) USER MOD Single : A 102 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.1) USER MOD Single : A 110 TYR OH : rot 180:sc= -1.21! USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.46 K(o=-0.46,f=-3.4!) USER MOD Single : A 115 LYS NZ :NH3+ -119:sc= -0.884 (180deg=-2.47!) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -4.61! C(o=-5.6!,f=-4.6!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.2!) USER MOD Single : A 128 GLN : amide:sc=-0.00183 X(o=-0.0018,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 144:sc= 0.151 (180deg=-0.0788) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 HIS : no HE2:sc= -4.46! C(o=-4.5!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.334 -0.011 0.025 1.00 0.00 N ATOM 2 CA ALA A 1 2.087 -0.015 -1.241 1.00 0.00 C ATOM 3 C ALA A 1 1.182 0.462 -2.369 1.00 0.00 C ATOM 4 O ALA A 1 1.295 -0.002 -3.498 1.00 0.00 O ATOM 5 CB ALA A 1 2.662 -1.420 -1.495 1.00 0.00 C ATOM 0 H1 ALA A 1 1.842 -0.579 0.733 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.238 0.966 0.369 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.390 -0.417 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 1 2.931 0.673 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.219 -1.421 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.328 -1.694 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.847 -2.141 -1.556 1.00 0.00 H new ATOM 13 N VAL A 2 0.269 1.386 -2.044 1.00 0.00 N ATOM 14 CA VAL A 2 -0.652 1.935 -3.027 1.00 0.00 C ATOM 15 C VAL A 2 0.115 2.407 -4.263 1.00 0.00 C ATOM 16 O VAL A 2 1.283 2.814 -4.179 1.00 0.00 O ATOM 17 CB VAL A 2 -1.471 3.066 -2.390 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.645 4.349 -2.250 1.00 0.00 C ATOM 19 CG2 VAL A 2 -2.763 3.298 -3.169 1.00 0.00 C ATOM 0 H VAL A 2 0.154 1.765 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.347 1.162 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.745 2.760 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.257 5.128 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.223 4.156 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.313 4.677 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.330 4.103 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.524 3.571 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.359 2.385 -3.165 1.00 0.00 H new ATOM 29 N THR A 3 -0.538 2.334 -5.401 1.00 0.00 N ATOM 30 CA THR A 3 0.084 2.633 -6.674 1.00 0.00 C ATOM 31 C THR A 3 -0.194 4.082 -7.014 1.00 0.00 C ATOM 32 O THR A 3 -1.337 4.517 -7.024 1.00 0.00 O ATOM 33 CB THR A 3 -0.435 1.641 -7.714 1.00 0.00 C ATOM 34 OG1 THR A 3 -0.519 0.356 -7.136 1.00 0.00 O ATOM 35 CG2 THR A 3 0.561 1.460 -8.832 1.00 0.00 C ATOM 0 H THR A 3 -1.519 2.065 -5.471 1.00 0.00 H new ATOM 0 HA THR A 3 1.167 2.518 -6.644 1.00 0.00 H new ATOM 0 HB THR A 3 -1.390 2.028 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.853 -0.281 -7.802 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.167 0.749 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.738 2.418 -9.321 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.499 1.082 -8.426 1.00 0.00 H new ATOM 43 N TRP A 4 0.858 4.866 -7.194 1.00 0.00 N ATOM 44 CA TRP A 4 0.723 6.270 -7.507 1.00 0.00 C ATOM 45 C TRP A 4 0.408 6.425 -8.976 1.00 0.00 C ATOM 46 O TRP A 4 0.945 5.697 -9.791 1.00 0.00 O ATOM 47 CB TRP A 4 1.991 6.988 -7.087 1.00 0.00 C ATOM 48 CG TRP A 4 2.255 6.983 -5.614 1.00 0.00 C ATOM 49 CD1 TRP A 4 2.421 5.894 -4.831 1.00 0.00 C ATOM 50 CD2 TRP A 4 2.341 8.126 -4.729 1.00 0.00 C ATOM 51 NE1 TRP A 4 2.629 6.287 -3.520 1.00 0.00 N ATOM 52 CE2 TRP A 4 2.614 7.660 -3.416 1.00 0.00 C ATOM 53 CE3 TRP A 4 2.233 9.511 -4.916 1.00 0.00 C ATOM 54 CZ2 TRP A 4 2.757 8.531 -2.329 1.00 0.00 C ATOM 55 CZ3 TRP A 4 2.410 10.396 -3.848 1.00 0.00 C ATOM 56 CH2 TRP A 4 2.672 9.914 -2.554 1.00 0.00 C ATOM 0 H TRP A 4 1.823 4.543 -7.126 1.00 0.00 H new ATOM 0 HA TRP A 4 -0.103 6.723 -6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.838 6.528 -7.596 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.937 8.022 -7.429 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.395 4.871 -5.176 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.773 5.648 -2.739 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.010 9.900 -5.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 2.930 8.146 -1.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.345 11.460 -4.019 1.00 0.00 H new ATOM 0 HH2 TRP A 4 2.807 10.605 -1.735 1.00 0.00 H new ATOM 67 N THR A 5 -0.473 7.353 -9.313 1.00 0.00 N ATOM 68 CA THR A 5 -0.873 7.550 -10.701 1.00 0.00 C ATOM 69 C THR A 5 -0.725 9.006 -11.049 1.00 0.00 C ATOM 70 O THR A 5 -1.134 9.885 -10.288 1.00 0.00 O ATOM 71 CB THR A 5 -2.292 7.013 -10.934 1.00 0.00 C ATOM 72 OG1 THR A 5 -2.157 5.756 -11.526 1.00 0.00 O ATOM 73 CG2 THR A 5 -3.125 7.832 -11.920 1.00 0.00 C ATOM 0 H THR A 5 -0.925 7.981 -8.648 1.00 0.00 H new ATOM 0 HA THR A 5 -0.225 6.983 -11.369 1.00 0.00 H new ATOM 0 HB THR A 5 -2.794 7.029 -9.967 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.404 5.769 -12.154 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.112 7.381 -12.024 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.229 8.852 -11.549 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.629 7.848 -12.890 1.00 0.00 H new ATOM 81 N CYS A 6 -0.136 9.268 -12.212 1.00 0.00 N ATOM 82 CA CYS A 6 0.049 10.626 -12.682 1.00 0.00 C ATOM 83 C CYS A 6 -0.596 10.815 -14.042 1.00 0.00 C ATOM 84 O CYS A 6 -1.630 11.468 -14.141 1.00 0.00 O ATOM 85 CB CYS A 6 1.529 10.941 -12.719 1.00 0.00 C ATOM 86 SG CYS A 6 2.422 10.375 -11.242 1.00 0.00 S ATOM 0 H CYS A 6 0.220 8.551 -12.844 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.439 11.320 -11.997 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.970 10.477 -13.601 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.662 12.018 -12.825 1.00 0.00 H new ATOM 91 N GLY A 7 -0.002 10.225 -15.083 1.00 0.00 N ATOM 92 CA GLY A 7 -0.544 10.265 -16.437 1.00 0.00 C ATOM 93 C GLY A 7 -1.552 9.150 -16.681 1.00 0.00 C ATOM 94 O GLY A 7 -1.587 8.591 -17.766 1.00 0.00 O ATOM 0 H GLY A 7 0.872 9.705 -15.006 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.022 11.230 -16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.271 10.181 -17.156 1.00 0.00 H new ATOM 98 N GLY A 8 -2.293 8.751 -15.644 1.00 0.00 N ATOM 99 CA GLY A 8 -3.225 7.627 -15.702 1.00 0.00 C ATOM 100 C GLY A 8 -2.538 6.275 -15.505 1.00 0.00 C ATOM 101 O GLY A 8 -3.198 5.263 -15.299 1.00 0.00 O ATOM 0 H GLY A 8 -2.261 9.206 -14.732 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.990 7.756 -14.936 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.735 7.633 -16.665 1.00 0.00 H new ATOM 105 N LEU A 9 -1.209 6.253 -15.578 1.00 0.00 N ATOM 106 CA LEU A 9 -0.424 5.042 -15.461 1.00 0.00 C ATOM 107 C LEU A 9 -0.139 4.811 -13.990 1.00 0.00 C ATOM 108 O LEU A 9 0.155 5.763 -13.266 1.00 0.00 O ATOM 109 CB LEU A 9 0.880 5.136 -16.270 1.00 0.00 C ATOM 110 CG LEU A 9 0.807 6.046 -17.523 1.00 0.00 C ATOM 111 CD1 LEU A 9 1.563 7.350 -17.278 1.00 0.00 C ATOM 112 CD2 LEU A 9 1.353 5.338 -18.755 1.00 0.00 C ATOM 0 H LEU A 9 -0.646 7.091 -15.722 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.982 4.200 -15.871 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.670 5.505 -15.616 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.169 4.133 -16.584 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.242 6.277 -17.709 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.503 7.978 -18.167 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.119 7.875 -16.432 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.608 7.129 -17.060 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.287 6.003 -19.616 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.395 5.065 -18.586 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.768 4.438 -18.946 1.00 0.00 H new ATOM 124 N LEU A 10 -0.208 3.554 -13.572 1.00 0.00 N ATOM 125 CA LEU A 10 0.009 3.175 -12.187 1.00 0.00 C ATOM 126 C LEU A 10 1.504 2.968 -11.944 1.00 0.00 C ATOM 127 O LEU A 10 2.182 2.301 -12.712 1.00 0.00 O ATOM 128 CB LEU A 10 -0.812 1.900 -11.895 1.00 0.00 C ATOM 129 CG LEU A 10 -2.126 2.178 -11.137 1.00 0.00 C ATOM 130 CD1 LEU A 10 -3.107 2.982 -11.995 1.00 0.00 C ATOM 131 CD2 LEU A 10 -2.770 0.860 -10.681 1.00 0.00 C ATOM 0 H LEU A 10 -0.417 2.768 -14.188 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.324 3.960 -11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.043 1.402 -12.837 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.203 1.210 -11.311 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.884 2.775 -10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.022 3.160 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.656 3.937 -12.266 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.342 2.422 -12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.696 1.073 -10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.987 0.241 -11.551 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.084 0.330 -10.020 1.00 0.00 H new ATOM 143 N TYR A 11 2.007 3.500 -10.842 1.00 0.00 N ATOM 144 CA TYR A 11 3.408 3.507 -10.474 1.00 0.00 C ATOM 145 C TYR A 11 3.576 2.875 -9.117 1.00 0.00 C ATOM 146 O TYR A 11 3.173 3.439 -8.088 1.00 0.00 O ATOM 147 CB TYR A 11 3.920 4.942 -10.441 1.00 0.00 C ATOM 148 CG TYR A 11 3.806 5.654 -11.768 1.00 0.00 C ATOM 149 CD1 TYR A 11 4.545 5.184 -12.870 1.00 0.00 C ATOM 150 CD2 TYR A 11 2.934 6.752 -11.918 1.00 0.00 C ATOM 151 CE1 TYR A 11 4.450 5.838 -14.112 1.00 0.00 C ATOM 152 CE2 TYR A 11 2.807 7.378 -13.169 1.00 0.00 C ATOM 153 CZ TYR A 11 3.604 6.952 -14.250 1.00 0.00 C ATOM 154 OH TYR A 11 3.723 7.743 -15.345 1.00 0.00 O ATOM 0 H TYR A 11 1.418 3.960 -10.148 1.00 0.00 H new ATOM 0 HA TYR A 11 3.979 2.939 -11.208 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.363 5.501 -9.689 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.964 4.940 -10.128 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.185 4.321 -12.762 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.365 7.111 -11.073 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.025 5.486 -14.956 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.100 8.184 -13.302 1.00 0.00 H new ATOM 0 HH TYR A 11 3.068 8.471 -15.296 1.00 0.00 H new ATOM 164 N ASN A 12 4.099 1.651 -9.107 1.00 0.00 N ATOM 165 CA ASN A 12 4.292 0.944 -7.866 1.00 0.00 C ATOM 166 C ASN A 12 5.161 1.788 -6.955 1.00 0.00 C ATOM 167 O ASN A 12 6.335 1.971 -7.246 1.00 0.00 O ATOM 168 CB ASN A 12 4.934 -0.427 -8.116 1.00 0.00 C ATOM 169 CG ASN A 12 4.180 -1.545 -7.443 1.00 0.00 C ATOM 170 OD1 ASN A 12 4.087 -2.639 -7.962 1.00 0.00 O ATOM 171 ND2 ASN A 12 3.695 -1.300 -6.243 1.00 0.00 N ATOM 0 H ASN A 12 4.391 1.141 -9.941 1.00 0.00 H new ATOM 0 HA ASN A 12 3.327 0.771 -7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.977 -0.615 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.962 -0.416 -7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.225 -2.040 -5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.790 -0.370 -5.835 1.00 0.00 H new ATOM 178 N GLN A 13 4.594 2.277 -5.852 1.00 0.00 N ATOM 179 CA GLN A 13 5.372 3.108 -4.956 1.00 0.00 C ATOM 180 C GLN A 13 6.682 2.459 -4.581 1.00 0.00 C ATOM 181 O GLN A 13 7.721 3.071 -4.721 1.00 0.00 O ATOM 182 CB GLN A 13 4.589 3.386 -3.674 1.00 0.00 C ATOM 183 CG GLN A 13 5.453 4.099 -2.616 1.00 0.00 C ATOM 184 CD GLN A 13 6.242 5.239 -3.244 1.00 0.00 C ATOM 185 OE1 GLN A 13 5.623 5.946 -4.170 1.00 0.00 O flip ATOM 186 NE2 GLN A 13 7.394 5.471 -2.957 1.00 0.00 N flip ATOM 0 H GLN A 13 3.627 2.115 -5.569 1.00 0.00 H new ATOM 0 HA GLN A 13 5.577 4.038 -5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.719 4.000 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.216 2.447 -3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.816 4.486 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.138 3.385 -2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.862 4.918 -2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.897 6.220 -3.433 1.00 0.00 H new ATOM 195 N ASN A 14 6.609 1.192 -4.178 1.00 0.00 N ATOM 196 CA ASN A 14 7.806 0.438 -3.855 1.00 0.00 C ATOM 197 C ASN A 14 8.849 0.562 -4.954 1.00 0.00 C ATOM 198 O ASN A 14 10.000 0.717 -4.663 1.00 0.00 O ATOM 199 CB ASN A 14 7.473 -1.046 -3.736 1.00 0.00 C ATOM 200 CG ASN A 14 8.341 -1.726 -2.697 1.00 0.00 C ATOM 201 OD1 ASN A 14 9.524 -1.488 -2.558 1.00 0.00 O ATOM 202 ND2 ASN A 14 7.731 -2.622 -1.966 1.00 0.00 N ATOM 0 H ASN A 14 5.737 0.674 -4.070 1.00 0.00 H new ATOM 0 HA ASN A 14 8.192 0.839 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.423 -1.164 -3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.613 -1.530 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.250 -3.141 -1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.736 -2.802 -2.104 1.00 0.00 H new ATOM 209 N LYS A 15 8.446 0.542 -6.228 1.00 0.00 N ATOM 210 CA LYS A 15 9.339 0.840 -7.352 1.00 0.00 C ATOM 211 C LYS A 15 9.711 2.324 -7.441 1.00 0.00 C ATOM 212 O LYS A 15 10.866 2.631 -7.679 1.00 0.00 O ATOM 213 CB LYS A 15 8.678 0.371 -8.649 1.00 0.00 C ATOM 214 CG LYS A 15 8.996 -1.108 -8.900 1.00 0.00 C ATOM 215 CD LYS A 15 7.757 -1.863 -9.386 1.00 0.00 C ATOM 216 CE LYS A 15 8.138 -3.231 -9.944 1.00 0.00 C ATOM 217 NZ LYS A 15 6.982 -3.840 -10.646 1.00 0.00 N ATOM 0 H LYS A 15 7.491 0.319 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 15 10.274 0.303 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.599 0.513 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.032 0.974 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.791 -1.192 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.367 -1.564 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.054 -1.985 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.249 -1.281 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.978 -3.130 -10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.466 -3.883 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.011 -4.873 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.097 -3.471 -10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.026 -3.603 -11.658 1.00 0.00 H new ATOM 231 N ALA A 16 8.802 3.247 -7.181 1.00 0.00 N ATOM 232 CA ALA A 16 9.133 4.658 -7.113 1.00 0.00 C ATOM 233 C ALA A 16 10.277 4.930 -6.142 1.00 0.00 C ATOM 234 O ALA A 16 11.146 5.711 -6.475 1.00 0.00 O ATOM 235 CB ALA A 16 7.902 5.445 -6.702 1.00 0.00 C ATOM 0 H ALA A 16 7.818 3.040 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 16 9.465 4.975 -8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.149 6.505 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.111 5.292 -7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.562 5.104 -5.724 1.00 0.00 H new ATOM 241 N GLU A 17 10.328 4.249 -4.997 1.00 0.00 N ATOM 242 CA GLU A 17 11.417 4.367 -4.028 1.00 0.00 C ATOM 243 C GLU A 17 12.522 3.345 -4.323 1.00 0.00 C ATOM 244 O GLU A 17 13.701 3.656 -4.263 1.00 0.00 O ATOM 245 CB GLU A 17 10.891 4.211 -2.595 1.00 0.00 C ATOM 246 CG GLU A 17 10.046 2.950 -2.430 1.00 0.00 C ATOM 247 CD GLU A 17 9.787 2.609 -0.979 1.00 0.00 C ATOM 248 OE1 GLU A 17 10.698 1.981 -0.391 1.00 0.00 O ATOM 249 OE2 GLU A 17 8.689 2.966 -0.496 1.00 0.00 O ATOM 0 H GLU A 17 9.603 3.590 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 17 11.848 5.364 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.732 4.177 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.295 5.084 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.094 3.085 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.551 2.113 -2.912 1.00 0.00 H new ATOM 256 N SER A 18 12.183 2.127 -4.723 1.00 0.00 N ATOM 257 CA SER A 18 13.127 1.039 -4.967 1.00 0.00 C ATOM 258 C SER A 18 13.849 1.280 -6.266 1.00 0.00 C ATOM 259 O SER A 18 15.055 1.461 -6.256 1.00 0.00 O ATOM 260 CB SER A 18 12.452 -0.320 -5.084 1.00 0.00 C ATOM 261 OG SER A 18 13.425 -1.302 -5.388 1.00 0.00 O ATOM 0 H SER A 18 11.214 1.858 -4.893 1.00 0.00 H new ATOM 0 HA SER A 18 13.802 1.026 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.947 -0.569 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.689 -0.294 -5.862 1.00 0.00 H new ATOM 0 HG SER A 18 12.993 -2.178 -5.463 1.00 0.00 H new ATOM 267 N ASN A 19 13.134 1.362 -7.388 1.00 0.00 N ATOM 268 CA ASN A 19 13.720 1.777 -8.642 1.00 0.00 C ATOM 269 C ASN A 19 14.557 3.050 -8.519 1.00 0.00 C ATOM 270 O ASN A 19 15.544 3.207 -9.233 1.00 0.00 O ATOM 271 CB ASN A 19 12.650 1.976 -9.703 1.00 0.00 C ATOM 272 CG ASN A 19 13.188 1.496 -11.024 1.00 0.00 C ATOM 273 OD1 ASN A 19 12.570 0.693 -11.679 1.00 0.00 O ATOM 274 ND2 ASN A 19 14.363 1.934 -11.407 1.00 0.00 N ATOM 0 H ASN A 19 12.140 1.142 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 19 14.390 0.970 -8.940 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.748 1.424 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.372 3.028 -9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.775 1.596 -12.277 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.865 2.613 -10.835 1.00 0.00 H new ATOM 281 N SER A 20 14.204 3.922 -7.576 1.00 0.00 N ATOM 282 CA SER A 20 14.983 5.121 -7.300 1.00 0.00 C ATOM 283 C SER A 20 16.132 4.885 -6.339 1.00 0.00 C ATOM 284 O SER A 20 17.114 5.610 -6.359 1.00 0.00 O ATOM 285 CB SER A 20 14.095 6.202 -6.705 1.00 0.00 C ATOM 286 OG SER A 20 13.791 5.998 -5.337 1.00 0.00 O ATOM 0 H SER A 20 13.377 3.816 -6.988 1.00 0.00 H new ATOM 0 HA SER A 20 15.398 5.429 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.587 7.168 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.165 6.249 -7.272 1.00 0.00 H new ATOM 0 HG SER A 20 13.948 5.059 -5.103 1.00 0.00 H new ATOM 292 N HIS A 21 16.039 3.858 -5.489 1.00 0.00 N ATOM 293 CA HIS A 21 17.078 3.486 -4.540 1.00 0.00 C ATOM 294 C HIS A 21 18.371 3.219 -5.293 1.00 0.00 C ATOM 295 O HIS A 21 19.437 3.511 -4.771 1.00 0.00 O ATOM 296 CB HIS A 21 16.657 2.268 -3.686 1.00 0.00 C ATOM 297 CG HIS A 21 15.900 2.604 -2.426 1.00 0.00 C ATOM 298 ND1 HIS A 21 15.286 3.785 -2.110 1.00 0.00 N flip ATOM 299 CD2 HIS A 21 15.657 1.705 -1.409 1.00 0.00 C flip ATOM 300 CE1 HIS A 21 14.676 3.605 -0.889 1.00 0.00 C flip ATOM 301 NE2 HIS A 21 14.912 2.341 -0.482 1.00 0.00 N flip ATOM 0 H HIS A 21 15.219 3.253 -5.445 1.00 0.00 H new ATOM 0 HA HIS A 21 17.236 4.312 -3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 21 16.040 1.610 -4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 21 17.551 1.706 -3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 21 16.000 0.682 -1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 21 14.107 4.348 -0.350 1.00 0.00 H new ATOM 0 HE2 HIS A 21 14.579 1.930 0.390 1.00 0.00 H new ATOM 310 N HIS A 22 18.270 2.642 -6.493 1.00 0.00 N ATOM 311 CA HIS A 22 19.409 2.329 -7.325 1.00 0.00 C ATOM 312 C HIS A 22 20.007 3.603 -7.893 1.00 0.00 C ATOM 313 O HIS A 22 21.223 3.722 -7.907 1.00 0.00 O ATOM 314 CB HIS A 22 19.024 1.367 -8.452 1.00 0.00 C ATOM 315 CG HIS A 22 17.823 0.486 -8.219 1.00 0.00 C ATOM 316 ND1 HIS A 22 17.373 -0.013 -7.025 1.00 0.00 N flip ATOM 317 CD2 HIS A 22 16.990 0.050 -9.228 1.00 0.00 C flip ATOM 318 CE1 HIS A 22 16.253 -0.765 -7.303 1.00 0.00 C flip ATOM 319 NE2 HIS A 22 16.039 -0.703 -8.638 1.00 0.00 N flip ATOM 0 H HIS A 22 17.377 2.380 -6.910 1.00 0.00 H new ATOM 0 HA HIS A 22 20.157 1.834 -6.706 1.00 0.00 H new ATOM 0 HB2 HIS A 22 18.844 1.955 -9.352 1.00 0.00 H new ATOM 0 HB3 HIS A 22 19.881 0.725 -8.657 1.00 0.00 H new ATOM 0 HD2 HIS A 22 17.081 0.268 -10.282 1.00 0.00 H new ATOM 0 HE1 HIS A 22 15.654 -1.306 -6.586 1.00 0.00 H new ATOM 0 HE2 HIS A 22 15.269 -1.160 -9.127 1.00 0.00 H new ATOM 328 N ALA A 23 19.136 4.522 -8.332 1.00 0.00 N ATOM 329 CA ALA A 23 19.520 5.819 -8.835 1.00 0.00 C ATOM 330 C ALA A 23 20.665 6.422 -7.999 1.00 0.00 C ATOM 331 O ALA A 23 20.609 6.394 -6.765 1.00 0.00 O ATOM 332 CB ALA A 23 18.313 6.754 -8.886 1.00 0.00 C ATOM 0 H ALA A 23 18.128 4.367 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 23 19.891 5.695 -9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.622 7.727 -9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 23 17.553 6.331 -9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.901 6.872 -7.884 1.00 0.00 H new ATOM 338 N PRO A 24 21.694 6.959 -8.658 1.00 0.00 N ATOM 339 CA PRO A 24 22.840 7.509 -7.974 1.00 0.00 C ATOM 340 C PRO A 24 22.434 8.813 -7.328 1.00 0.00 C ATOM 341 O PRO A 24 21.997 9.733 -8.018 1.00 0.00 O ATOM 342 CB PRO A 24 23.922 7.691 -9.028 1.00 0.00 C ATOM 343 CG PRO A 24 23.188 7.643 -10.359 1.00 0.00 C ATOM 344 CD PRO A 24 21.791 7.111 -10.093 1.00 0.00 C ATOM 0 HA PRO A 24 23.217 6.863 -7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 24 24.443 8.640 -8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 24 24.673 6.903 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 24 23.141 8.636 -10.807 1.00 0.00 H new ATOM 0 HG3 PRO A 24 23.715 7.000 -11.064 1.00 0.00 H new ATOM 0 HD2 PRO A 24 21.033 7.800 -10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 24 21.632 6.159 -10.599 1.00 0.00 H new ATOM 352 N LEU A 25 22.550 8.872 -6.000 1.00 0.00 N ATOM 353 CA LEU A 25 22.252 10.052 -5.203 1.00 0.00 C ATOM 354 C LEU A 25 23.140 11.225 -5.599 1.00 0.00 C ATOM 355 O LEU A 25 24.185 11.448 -4.997 1.00 0.00 O ATOM 356 CB LEU A 25 22.343 9.713 -3.698 1.00 0.00 C ATOM 357 CG LEU A 25 21.194 10.263 -2.849 1.00 0.00 C ATOM 358 CD1 LEU A 25 19.840 10.070 -3.522 1.00 0.00 C ATOM 359 CD2 LEU A 25 21.205 9.599 -1.469 1.00 0.00 C ATOM 0 H LEU A 25 22.862 8.078 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 25 21.228 10.367 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.374 8.629 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.284 10.102 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 25 21.346 11.337 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.055 10.475 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.833 10.590 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.663 9.007 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.385 9.994 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.085 8.522 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 25 22.152 9.808 -0.972 1.00 0.00 H new ATOM 371 N SER A 26 22.727 11.941 -6.635 1.00 0.00 N ATOM 372 CA SER A 26 23.511 13.023 -7.213 1.00 0.00 C ATOM 373 C SER A 26 22.645 13.866 -8.140 1.00 0.00 C ATOM 374 O SER A 26 21.757 13.342 -8.808 1.00 0.00 O ATOM 375 CB SER A 26 24.675 12.493 -8.040 1.00 0.00 C ATOM 376 OG SER A 26 25.841 12.283 -7.266 1.00 0.00 O ATOM 0 H SER A 26 21.833 11.787 -7.101 1.00 0.00 H new ATOM 0 HA SER A 26 23.889 13.616 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.383 11.555 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.897 13.198 -8.841 1.00 0.00 H new ATOM 0 HG SER A 26 25.588 11.973 -6.371 1.00 0.00 H new ATOM 382 N ASP A 27 22.916 15.163 -8.219 1.00 0.00 N ATOM 383 CA ASP A 27 22.141 16.080 -9.054 1.00 0.00 C ATOM 384 C ASP A 27 22.604 15.918 -10.500 1.00 0.00 C ATOM 385 O ASP A 27 23.502 16.621 -10.956 1.00 0.00 O ATOM 386 CB ASP A 27 22.326 17.519 -8.571 1.00 0.00 C ATOM 387 CG ASP A 27 22.053 18.581 -9.657 1.00 0.00 C ATOM 388 OD1 ASP A 27 21.200 18.311 -10.542 1.00 0.00 O ATOM 389 OD2 ASP A 27 22.686 19.660 -9.578 1.00 0.00 O ATOM 0 H ASP A 27 23.677 15.611 -7.708 1.00 0.00 H new ATOM 0 HA ASP A 27 21.078 15.848 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 27 21.660 17.697 -7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 27 23.345 17.641 -8.205 1.00 0.00 H new ATOM 394 N GLY A 28 22.025 14.948 -11.204 1.00 0.00 N ATOM 395 CA GLY A 28 22.358 14.740 -12.599 1.00 0.00 C ATOM 396 C GLY A 28 23.802 14.294 -12.752 1.00 0.00 C ATOM 397 O GLY A 28 24.698 15.096 -12.992 1.00 0.00 O ATOM 0 H GLY A 28 21.330 14.302 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.694 13.989 -13.027 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.197 15.663 -13.157 1.00 0.00 H new ATOM 401 N LYS A 29 24.036 12.986 -12.648 1.00 0.00 N ATOM 402 CA LYS A 29 25.377 12.404 -12.800 1.00 0.00 C ATOM 403 C LYS A 29 25.314 10.993 -13.343 1.00 0.00 C ATOM 404 O LYS A 29 25.950 10.075 -12.838 1.00 0.00 O ATOM 405 CB LYS A 29 26.132 12.519 -11.465 1.00 0.00 C ATOM 406 CG LYS A 29 27.005 13.786 -11.429 1.00 0.00 C ATOM 407 CD LYS A 29 28.481 13.413 -11.320 1.00 0.00 C ATOM 408 CE LYS A 29 29.351 14.648 -11.551 1.00 0.00 C ATOM 409 NZ LYS A 29 30.706 14.426 -11.009 1.00 0.00 N ATOM 0 H LYS A 29 23.307 12.299 -12.457 1.00 0.00 H new ATOM 0 HA LYS A 29 25.940 12.966 -13.545 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.419 12.542 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 29 26.758 11.638 -11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.838 14.376 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 29 26.718 14.409 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 29 28.686 12.992 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 29 28.725 12.644 -12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 29 29.409 14.866 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 29 28.898 15.516 -11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 31.288 15.272 -11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 30.645 14.239 -9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 31.141 13.610 -11.485 1.00 0.00 H new ATOM 423 N THR A 30 24.483 10.819 -14.355 1.00 0.00 N ATOM 424 CA THR A 30 24.223 9.500 -14.915 1.00 0.00 C ATOM 425 C THR A 30 24.367 9.552 -16.426 1.00 0.00 C ATOM 426 O THR A 30 24.770 10.570 -16.994 1.00 0.00 O ATOM 427 CB THR A 30 22.826 9.054 -14.496 1.00 0.00 C ATOM 428 OG1 THR A 30 21.977 9.792 -15.335 1.00 0.00 O ATOM 429 CG2 THR A 30 22.471 9.362 -13.039 1.00 0.00 C ATOM 0 H THR A 30 23.973 11.577 -14.809 1.00 0.00 H new ATOM 0 HA THR A 30 24.944 8.774 -14.539 1.00 0.00 H new ATOM 0 HB THR A 30 22.742 7.971 -14.580 1.00 0.00 H new ATOM 0 HG1 THR A 30 21.044 9.592 -15.114 1.00 0.00 H new ATOM 0 HG21 THR A 30 21.461 9.011 -12.829 1.00 0.00 H new ATOM 0 HG22 THR A 30 23.176 8.857 -12.378 1.00 0.00 H new ATOM 0 HG23 THR A 30 22.523 10.438 -12.871 1.00 0.00 H new ATOM 437 N GLY A 31 23.981 8.483 -17.104 1.00 0.00 N ATOM 438 CA GLY A 31 24.030 8.463 -18.550 1.00 0.00 C ATOM 439 C GLY A 31 22.815 9.092 -19.182 1.00 0.00 C ATOM 440 O GLY A 31 22.928 9.982 -20.025 1.00 0.00 O ATOM 0 H GLY A 31 23.633 7.625 -16.676 1.00 0.00 H new ATOM 0 HA2 GLY A 31 24.923 8.989 -18.886 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.120 7.432 -18.892 1.00 0.00 H new ATOM 444 N SER A 32 21.630 8.604 -18.822 1.00 0.00 N ATOM 445 CA SER A 32 20.385 9.167 -19.335 1.00 0.00 C ATOM 446 C SER A 32 20.031 10.481 -18.671 1.00 0.00 C ATOM 447 O SER A 32 18.921 10.964 -18.865 1.00 0.00 O ATOM 448 CB SER A 32 19.215 8.217 -19.138 1.00 0.00 C ATOM 449 OG SER A 32 18.239 8.377 -20.158 1.00 0.00 O ATOM 0 H SER A 32 21.507 7.822 -18.179 1.00 0.00 H new ATOM 0 HA SER A 32 20.559 9.332 -20.398 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.576 7.189 -19.136 1.00 0.00 H new ATOM 0 HB3 SER A 32 18.759 8.396 -18.165 1.00 0.00 H new ATOM 0 HG SER A 32 17.999 9.324 -20.235 1.00 0.00 H new ATOM 455 N SER A 33 20.941 11.055 -17.882 1.00 0.00 N ATOM 456 CA SER A 33 20.806 12.310 -17.147 1.00 0.00 C ATOM 457 C SER A 33 20.237 12.028 -15.785 1.00 0.00 C ATOM 458 O SER A 33 20.893 12.319 -14.790 1.00 0.00 O ATOM 459 CB SER A 33 19.992 13.371 -17.914 1.00 0.00 C ATOM 460 OG SER A 33 18.586 13.408 -17.663 1.00 0.00 O ATOM 0 H SER A 33 21.853 10.624 -17.731 1.00 0.00 H new ATOM 0 HA SER A 33 21.798 12.747 -17.032 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.405 14.352 -17.679 1.00 0.00 H new ATOM 0 HB3 SER A 33 20.143 13.209 -18.981 1.00 0.00 H new ATOM 0 HG SER A 33 18.177 12.572 -17.970 1.00 0.00 H new ATOM 466 N TYR A 34 19.048 11.421 -15.787 1.00 0.00 N ATOM 467 CA TYR A 34 18.274 11.104 -14.618 1.00 0.00 C ATOM 468 C TYR A 34 19.022 10.175 -13.641 1.00 0.00 C ATOM 469 O TYR A 34 19.654 9.223 -14.063 1.00 0.00 O ATOM 470 CB TYR A 34 16.984 10.421 -15.043 1.00 0.00 C ATOM 471 CG TYR A 34 16.018 11.346 -15.754 1.00 0.00 C ATOM 472 CD1 TYR A 34 15.181 12.215 -15.023 1.00 0.00 C ATOM 473 CD2 TYR A 34 15.924 11.299 -17.161 1.00 0.00 C ATOM 474 CE1 TYR A 34 14.288 13.038 -15.733 1.00 0.00 C ATOM 475 CE2 TYR A 34 15.012 12.115 -17.852 1.00 0.00 C ATOM 476 CZ TYR A 34 14.208 13.003 -17.137 1.00 0.00 C ATOM 477 OH TYR A 34 13.374 13.843 -17.798 1.00 0.00 O ATOM 0 H TYR A 34 18.591 11.130 -16.651 1.00 0.00 H new ATOM 0 HA TYR A 34 18.076 12.042 -14.100 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.224 9.585 -15.699 1.00 0.00 H new ATOM 0 HB3 TYR A 34 16.495 10.005 -14.162 1.00 0.00 H new ATOM 0 HD1 TYR A 34 15.225 12.248 -13.944 1.00 0.00 H new ATOM 0 HD2 TYR A 34 16.562 10.626 -17.715 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.647 13.714 -15.186 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.934 12.055 -18.928 1.00 0.00 H new ATOM 0 HH TYR A 34 13.446 13.684 -18.762 1.00 0.00 H new ATOM 487 N PRO A 35 18.855 10.381 -12.333 1.00 0.00 N ATOM 488 CA PRO A 35 18.004 11.417 -11.813 1.00 0.00 C ATOM 489 C PRO A 35 18.662 12.789 -11.922 1.00 0.00 C ATOM 490 O PRO A 35 19.682 12.955 -12.561 1.00 0.00 O ATOM 491 CB PRO A 35 17.758 10.995 -10.402 1.00 0.00 C ATOM 492 CG PRO A 35 18.873 10.067 -9.972 1.00 0.00 C ATOM 493 CD PRO A 35 19.502 9.615 -11.280 1.00 0.00 C ATOM 0 HA PRO A 35 17.073 11.529 -12.368 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.718 11.866 -9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.795 10.491 -10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.596 10.580 -9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.490 9.222 -9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 35 20.577 9.792 -11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 35 19.356 8.546 -11.432 1.00 0.00 H new ATOM 501 N HIS A 36 18.053 13.806 -11.349 1.00 0.00 N ATOM 502 CA HIS A 36 18.577 15.167 -11.414 1.00 0.00 C ATOM 503 C HIS A 36 17.994 15.998 -10.307 1.00 0.00 C ATOM 504 O HIS A 36 16.985 15.592 -9.770 1.00 0.00 O ATOM 505 CB HIS A 36 18.320 15.775 -12.795 1.00 0.00 C ATOM 506 CG HIS A 36 16.910 15.691 -13.317 1.00 0.00 C ATOM 507 ND1 HIS A 36 16.427 16.491 -14.327 1.00 0.00 N ATOM 508 CD2 HIS A 36 15.914 14.844 -12.933 1.00 0.00 C ATOM 509 CE1 HIS A 36 15.149 16.145 -14.548 1.00 0.00 C ATOM 510 NE2 HIS A 36 14.837 15.149 -13.710 1.00 0.00 N ATOM 0 H HIS A 36 17.182 13.720 -10.825 1.00 0.00 H new ATOM 0 HA HIS A 36 19.657 15.146 -11.272 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.610 16.825 -12.764 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.978 15.284 -13.511 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.947 17.217 -14.820 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.967 14.084 -12.167 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.488 16.592 -15.275 1.00 0.00 H new ATOM 519 N TRP A 37 18.621 17.103 -9.944 1.00 0.00 N ATOM 520 CA TRP A 37 18.027 17.980 -8.942 1.00 0.00 C ATOM 521 C TRP A 37 16.782 18.668 -9.517 1.00 0.00 C ATOM 522 O TRP A 37 16.764 19.197 -10.642 1.00 0.00 O ATOM 523 CB TRP A 37 19.059 18.995 -8.479 1.00 0.00 C ATOM 524 CG TRP A 37 18.553 20.233 -7.848 1.00 0.00 C ATOM 525 CD1 TRP A 37 17.818 20.346 -6.727 1.00 0.00 C ATOM 526 CD2 TRP A 37 18.730 21.571 -8.341 1.00 0.00 C ATOM 527 NE1 TRP A 37 17.544 21.661 -6.461 1.00 0.00 N ATOM 528 CE2 TRP A 37 18.071 22.454 -7.443 1.00 0.00 C ATOM 529 CE3 TRP A 37 19.364 22.112 -9.468 1.00 0.00 C ATOM 530 CZ2 TRP A 37 18.020 23.822 -7.654 1.00 0.00 C ATOM 531 CZ3 TRP A 37 19.334 23.493 -9.692 1.00 0.00 C ATOM 532 CH2 TRP A 37 18.650 24.330 -8.797 1.00 0.00 C ATOM 0 H TRP A 37 19.519 17.412 -10.315 1.00 0.00 H new ATOM 0 HA TRP A 37 17.714 17.393 -8.079 1.00 0.00 H new ATOM 0 HB2 TRP A 37 19.724 18.502 -7.770 1.00 0.00 H new ATOM 0 HB3 TRP A 37 19.665 19.278 -9.340 1.00 0.00 H new ATOM 0 HD1 TRP A 37 17.490 19.515 -6.121 1.00 0.00 H new ATOM 0 HE1 TRP A 37 17.024 21.999 -5.651 1.00 0.00 H new ATOM 0 HE3 TRP A 37 19.876 21.463 -10.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 17.511 24.475 -6.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 19.836 23.913 -10.551 1.00 0.00 H new ATOM 0 HH2 TRP A 37 18.608 25.391 -8.994 1.00 0.00 H new ATOM 543 N PHE A 38 15.734 18.660 -8.704 1.00 0.00 N ATOM 544 CA PHE A 38 14.466 19.257 -9.005 1.00 0.00 C ATOM 545 C PHE A 38 14.480 20.609 -8.335 1.00 0.00 C ATOM 546 O PHE A 38 14.174 20.735 -7.148 1.00 0.00 O ATOM 547 CB PHE A 38 13.348 18.402 -8.399 1.00 0.00 C ATOM 548 CG PHE A 38 11.970 19.009 -8.501 1.00 0.00 C ATOM 549 CD1 PHE A 38 11.541 19.580 -9.714 1.00 0.00 C ATOM 550 CD2 PHE A 38 11.125 19.001 -7.381 1.00 0.00 C ATOM 551 CE1 PHE A 38 10.259 20.151 -9.802 1.00 0.00 C ATOM 552 CE2 PHE A 38 9.838 19.556 -7.473 1.00 0.00 C ATOM 553 CZ PHE A 38 9.404 20.127 -8.685 1.00 0.00 C ATOM 0 H PHE A 38 15.758 18.218 -7.785 1.00 0.00 H new ATOM 0 HA PHE A 38 14.298 19.337 -10.079 1.00 0.00 H new ATOM 0 HB2 PHE A 38 13.341 17.431 -8.895 1.00 0.00 H new ATOM 0 HB3 PHE A 38 13.575 18.222 -7.348 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.194 19.580 -10.574 1.00 0.00 H new ATOM 0 HD2 PHE A 38 11.463 18.569 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.932 20.607 -10.725 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.182 19.545 -6.615 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.412 20.548 -8.757 1.00 0.00 H new ATOM 563 N THR A 39 14.802 21.625 -9.131 1.00 0.00 N ATOM 564 CA THR A 39 14.747 23.024 -8.737 1.00 0.00 C ATOM 565 C THR A 39 13.579 23.278 -7.822 1.00 0.00 C ATOM 566 O THR A 39 13.692 24.058 -6.907 1.00 0.00 O ATOM 567 CB THR A 39 14.646 23.917 -9.976 1.00 0.00 C ATOM 568 OG1 THR A 39 13.479 23.529 -10.676 1.00 0.00 O ATOM 569 CG2 THR A 39 15.819 23.689 -10.924 1.00 0.00 C ATOM 0 H THR A 39 15.116 21.491 -10.092 1.00 0.00 H new ATOM 0 HA THR A 39 15.664 23.263 -8.198 1.00 0.00 H new ATOM 0 HB THR A 39 14.635 24.960 -9.658 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.380 24.083 -11.478 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.716 24.339 -11.793 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.752 23.917 -10.409 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.828 22.648 -11.248 1.00 0.00 H new ATOM 577 N ASN A 40 12.450 22.591 -8.031 1.00 0.00 N ATOM 578 CA ASN A 40 11.258 22.733 -7.225 1.00 0.00 C ATOM 579 C ASN A 40 10.656 24.130 -7.394 1.00 0.00 C ATOM 580 O ASN A 40 9.758 24.518 -6.662 1.00 0.00 O ATOM 581 CB ASN A 40 11.528 22.306 -5.754 1.00 0.00 C ATOM 582 CG ASN A 40 10.281 22.360 -4.881 1.00 0.00 C ATOM 583 OD1 ASN A 40 10.300 22.690 -3.715 1.00 0.00 O ATOM 584 ND2 ASN A 40 9.131 22.100 -5.467 1.00 0.00 N ATOM 0 H ASN A 40 12.350 21.910 -8.784 1.00 0.00 H new ATOM 0 HA ASN A 40 10.489 22.046 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.929 21.292 -5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.292 22.956 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.261 22.177 -4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.110 21.822 -6.448 1.00 0.00 H new ATOM 591 N GLY A 41 11.142 24.875 -8.387 1.00 0.00 N ATOM 592 CA GLY A 41 10.815 26.268 -8.516 1.00 0.00 C ATOM 593 C GLY A 41 11.873 27.223 -7.943 1.00 0.00 C ATOM 594 O GLY A 41 11.660 28.432 -7.914 1.00 0.00 O ATOM 0 H GLY A 41 11.767 24.520 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.669 26.498 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.865 26.454 -8.014 1.00 0.00 H new ATOM 598 N TYR A 42 12.991 26.694 -7.475 1.00 0.00 N ATOM 599 CA TYR A 42 14.054 27.458 -6.858 1.00 0.00 C ATOM 600 C TYR A 42 15.152 27.707 -7.878 1.00 0.00 C ATOM 601 O TYR A 42 15.200 27.065 -8.927 1.00 0.00 O ATOM 602 CB TYR A 42 14.599 26.661 -5.666 1.00 0.00 C ATOM 603 CG TYR A 42 13.582 26.411 -4.559 1.00 0.00 C ATOM 604 CD1 TYR A 42 12.391 25.690 -4.766 1.00 0.00 C ATOM 605 CD2 TYR A 42 13.832 26.898 -3.276 1.00 0.00 C ATOM 606 CE1 TYR A 42 11.475 25.468 -3.730 1.00 0.00 C ATOM 607 CE2 TYR A 42 12.925 26.673 -2.227 1.00 0.00 C ATOM 608 CZ TYR A 42 11.758 25.938 -2.437 1.00 0.00 C ATOM 609 OH TYR A 42 10.845 25.903 -1.444 1.00 0.00 O ATOM 0 H TYR A 42 13.186 25.694 -7.517 1.00 0.00 H new ATOM 0 HA TYR A 42 13.680 28.420 -6.509 1.00 0.00 H new ATOM 0 HB2 TYR A 42 14.970 25.701 -6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 42 15.451 27.195 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 42 12.178 25.298 -5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 42 14.737 27.457 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.555 24.937 -3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 42 13.134 27.074 -1.246 1.00 0.00 H new ATOM 0 HH TYR A 42 11.237 26.274 -0.626 1.00 0.00 H new ATOM 619 N ASP A 43 16.040 28.633 -7.551 1.00 0.00 N ATOM 620 CA ASP A 43 17.181 28.917 -8.417 1.00 0.00 C ATOM 621 C ASP A 43 18.327 27.942 -8.174 1.00 0.00 C ATOM 622 O ASP A 43 19.062 27.579 -9.088 1.00 0.00 O ATOM 623 CB ASP A 43 17.696 30.332 -8.130 1.00 0.00 C ATOM 624 CG ASP A 43 17.473 31.319 -9.279 1.00 0.00 C ATOM 625 OD1 ASP A 43 17.500 30.885 -10.452 1.00 0.00 O ATOM 626 OD2 ASP A 43 17.287 32.513 -8.958 1.00 0.00 O ATOM 0 H ASP A 43 15.997 29.197 -6.702 1.00 0.00 H new ATOM 0 HA ASP A 43 16.844 28.819 -9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 43 17.203 30.713 -7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 43 18.762 30.282 -7.909 1.00 0.00 H new ATOM 631 N GLY A 44 18.496 27.529 -6.916 1.00 0.00 N ATOM 632 CA GLY A 44 19.556 26.630 -6.491 1.00 0.00 C ATOM 633 C GLY A 44 19.596 26.469 -4.984 1.00 0.00 C ATOM 634 O GLY A 44 19.387 25.375 -4.462 1.00 0.00 O ATOM 0 H GLY A 44 17.884 27.820 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 44 19.412 25.655 -6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 44 20.516 27.011 -6.840 1.00 0.00 H new ATOM 638 N ASP A 45 19.846 27.571 -4.291 1.00 0.00 N ATOM 639 CA ASP A 45 19.913 27.596 -2.836 1.00 0.00 C ATOM 640 C ASP A 45 18.735 28.378 -2.264 1.00 0.00 C ATOM 641 O ASP A 45 17.915 27.875 -1.499 1.00 0.00 O ATOM 642 CB ASP A 45 21.217 28.295 -2.412 1.00 0.00 C ATOM 643 CG ASP A 45 22.218 27.400 -1.708 1.00 0.00 C ATOM 644 OD1 ASP A 45 21.943 27.101 -0.526 1.00 0.00 O ATOM 645 OD2 ASP A 45 23.283 27.123 -2.289 1.00 0.00 O ATOM 0 H ASP A 45 20.009 28.479 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 45 19.882 26.573 -2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.690 28.719 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.969 29.127 -1.754 1.00 0.00 H new ATOM 650 N GLY A 46 18.673 29.669 -2.619 1.00 0.00 N ATOM 651 CA GLY A 46 17.601 30.529 -2.165 1.00 0.00 C ATOM 652 C GLY A 46 16.262 29.931 -2.559 1.00 0.00 C ATOM 653 O GLY A 46 16.187 29.106 -3.469 1.00 0.00 O ATOM 0 H GLY A 46 19.358 30.129 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.652 30.649 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.709 31.522 -2.601 1.00 0.00 H new ATOM 657 N LYS A 47 15.204 30.391 -1.884 1.00 0.00 N ATOM 658 CA LYS A 47 13.829 30.005 -2.180 1.00 0.00 C ATOM 659 C LYS A 47 13.445 30.309 -3.641 1.00 0.00 C ATOM 660 O LYS A 47 14.274 30.556 -4.513 1.00 0.00 O ATOM 661 CB LYS A 47 12.869 30.589 -1.139 1.00 0.00 C ATOM 662 CG LYS A 47 12.717 32.101 -1.341 1.00 0.00 C ATOM 663 CD LYS A 47 12.090 32.763 -0.120 1.00 0.00 C ATOM 664 CE LYS A 47 13.186 33.237 0.834 1.00 0.00 C ATOM 665 NZ LYS A 47 12.591 33.950 1.983 1.00 0.00 N ATOM 0 H LYS A 47 15.284 31.049 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 47 13.743 28.922 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.896 30.105 -1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.243 30.386 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.694 32.544 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.099 32.292 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.474 33.608 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.432 32.059 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.765 32.383 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.877 33.895 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.346 34.267 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.058 34.775 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.949 33.311 2.494 1.00 0.00 H new ATOM 679 N LEU A 48 12.153 30.321 -3.907 1.00 0.00 N ATOM 680 CA LEU A 48 11.680 30.634 -5.231 1.00 0.00 C ATOM 681 C LEU A 48 11.644 32.152 -5.459 1.00 0.00 C ATOM 682 O LEU A 48 11.536 32.928 -4.500 1.00 0.00 O ATOM 683 CB LEU A 48 10.322 29.978 -5.444 1.00 0.00 C ATOM 684 CG LEU A 48 10.336 28.477 -5.148 1.00 0.00 C ATOM 685 CD1 LEU A 48 10.057 28.229 -3.677 1.00 0.00 C ATOM 686 CD2 LEU A 48 9.262 27.784 -5.973 1.00 0.00 C ATOM 0 H LEU A 48 11.421 30.119 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 48 12.370 30.233 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.585 30.463 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.004 30.138 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 48 11.319 28.081 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.070 27.157 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.822 28.718 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.078 28.634 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.273 26.715 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.285 28.194 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.457 27.946 -7.033 1.00 0.00 H new ATOM 698 N PRO A 49 11.727 32.583 -6.723 1.00 0.00 N ATOM 699 CA PRO A 49 11.670 33.987 -7.057 1.00 0.00 C ATOM 700 C PRO A 49 10.264 34.520 -6.850 1.00 0.00 C ATOM 701 O PRO A 49 9.288 33.767 -6.829 1.00 0.00 O ATOM 702 CB PRO A 49 12.138 34.078 -8.506 1.00 0.00 C ATOM 703 CG PRO A 49 12.009 32.664 -9.087 1.00 0.00 C ATOM 704 CD PRO A 49 11.802 31.737 -7.900 1.00 0.00 C ATOM 0 HA PRO A 49 12.305 34.602 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.530 34.787 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.168 34.429 -8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.170 32.603 -9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.904 32.389 -9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.888 31.155 -8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.624 31.026 -7.815 1.00 0.00 H new ATOM 712 N LYS A 50 10.152 35.845 -6.704 1.00 0.00 N ATOM 713 CA LYS A 50 8.870 36.529 -6.554 1.00 0.00 C ATOM 714 C LYS A 50 7.927 36.137 -7.698 1.00 0.00 C ATOM 715 O LYS A 50 7.993 36.693 -8.789 1.00 0.00 O ATOM 716 CB LYS A 50 9.077 38.042 -6.411 1.00 0.00 C ATOM 717 CG LYS A 50 7.869 38.847 -6.921 1.00 0.00 C ATOM 718 CD LYS A 50 7.711 40.177 -6.203 1.00 0.00 C ATOM 719 CE LYS A 50 7.252 41.260 -7.184 1.00 0.00 C ATOM 720 NZ LYS A 50 5.811 41.547 -7.020 1.00 0.00 N ATOM 0 H LYS A 50 10.955 36.473 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 50 8.385 36.209 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.256 38.285 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.968 38.339 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.981 39.026 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.962 38.257 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.986 40.078 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.658 40.467 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.829 42.171 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.448 40.936 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.525 42.284 -7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.262 40.682 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.631 41.878 -6.051 1.00 0.00 H new ATOM 734 N GLY A 51 7.047 35.181 -7.430 1.00 0.00 N ATOM 735 CA GLY A 51 6.145 34.649 -8.440 1.00 0.00 C ATOM 736 C GLY A 51 6.464 33.208 -8.791 1.00 0.00 C ATOM 737 O GLY A 51 7.064 32.944 -9.831 1.00 0.00 O ATOM 0 H GLY A 51 6.939 34.755 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.119 34.715 -8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.206 35.262 -9.339 1.00 0.00 H new ATOM 741 N ARG A 52 6.028 32.279 -7.935 1.00 0.00 N ATOM 742 CA ARG A 52 6.160 30.844 -8.156 1.00 0.00 C ATOM 743 C ARG A 52 5.453 30.064 -7.061 1.00 0.00 C ATOM 744 O ARG A 52 5.302 30.564 -5.950 1.00 0.00 O ATOM 745 CB ARG A 52 7.649 30.475 -8.153 1.00 0.00 C ATOM 746 CG ARG A 52 7.857 29.174 -8.922 1.00 0.00 C ATOM 747 CD ARG A 52 9.240 29.152 -9.583 1.00 0.00 C ATOM 748 NE ARG A 52 9.152 28.934 -11.030 1.00 0.00 N ATOM 749 CZ ARG A 52 8.710 27.835 -11.613 1.00 0.00 C ATOM 750 NH1 ARG A 52 8.322 26.801 -10.908 1.00 0.00 N ATOM 751 NH2 ARG A 52 8.621 27.770 -12.912 1.00 0.00 N ATOM 0 H ARG A 52 5.566 32.512 -7.056 1.00 0.00 H new ATOM 0 HA ARG A 52 5.706 30.592 -9.114 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.233 31.275 -8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.004 30.364 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.758 28.326 -8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.083 29.067 -9.682 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.750 30.095 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.845 28.364 -9.133 1.00 0.00 H new ATOM 0 HE ARG A 52 9.458 29.695 -11.637 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.358 26.836 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.984 25.961 -11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.893 28.570 -13.483 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.279 26.919 -13.358 1.00 0.00 H new ATOM 765 N THR A 53 5.096 28.823 -7.371 1.00 0.00 N ATOM 766 CA THR A 53 4.409 27.952 -6.428 1.00 0.00 C ATOM 767 C THR A 53 4.932 26.522 -6.567 1.00 0.00 C ATOM 768 O THR A 53 4.729 25.891 -7.607 1.00 0.00 O ATOM 769 CB THR A 53 2.898 28.092 -6.589 1.00 0.00 C ATOM 770 OG1 THR A 53 2.520 29.178 -5.783 1.00 0.00 O ATOM 771 CG2 THR A 53 2.112 26.899 -6.077 1.00 0.00 C ATOM 0 H THR A 53 5.274 28.395 -8.279 1.00 0.00 H new ATOM 0 HA THR A 53 4.623 28.250 -5.402 1.00 0.00 H new ATOM 0 HB THR A 53 2.686 28.201 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.288 29.774 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.047 27.074 -6.226 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.413 26.004 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.311 26.761 -5.014 1.00 0.00 H new ATOM 779 N PRO A 54 5.695 26.048 -5.570 1.00 0.00 N ATOM 780 CA PRO A 54 6.203 24.693 -5.557 1.00 0.00 C ATOM 781 C PRO A 54 5.100 23.683 -5.270 1.00 0.00 C ATOM 782 O PRO A 54 3.935 24.012 -5.058 1.00 0.00 O ATOM 783 CB PRO A 54 7.291 24.675 -4.485 1.00 0.00 C ATOM 784 CG PRO A 54 7.023 25.881 -3.590 1.00 0.00 C ATOM 785 CD PRO A 54 6.041 26.758 -4.345 1.00 0.00 C ATOM 0 HA PRO A 54 6.603 24.405 -6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.258 23.749 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.282 24.736 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.609 25.570 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.945 26.422 -3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.152 26.948 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.485 27.727 -4.573 1.00 0.00 H new ATOM 793 N ILE A 55 5.482 22.413 -5.259 1.00 0.00 N ATOM 794 CA ILE A 55 4.554 21.326 -5.006 1.00 0.00 C ATOM 795 C ILE A 55 4.521 21.055 -3.512 1.00 0.00 C ATOM 796 O ILE A 55 5.551 20.840 -2.887 1.00 0.00 O ATOM 797 CB ILE A 55 4.943 20.094 -5.827 1.00 0.00 C ATOM 798 CG1 ILE A 55 5.212 20.495 -7.294 1.00 0.00 C ATOM 799 CG2 ILE A 55 3.807 19.074 -5.735 1.00 0.00 C ATOM 800 CD1 ILE A 55 5.260 19.291 -8.230 1.00 0.00 C ATOM 0 H ILE A 55 6.442 22.111 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 55 3.546 21.597 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 55 5.858 19.652 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.433 21.180 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.157 21.034 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.066 18.188 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.653 18.794 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.891 19.512 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.452 19.629 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.057 18.617 -7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.306 18.765 -8.196 1.00 0.00 H new ATOM 812 N LYS A 56 3.328 21.098 -2.924 1.00 0.00 N ATOM 813 CA LYS A 56 3.162 20.807 -1.509 1.00 0.00 C ATOM 814 C LYS A 56 3.121 19.299 -1.306 1.00 0.00 C ATOM 815 O LYS A 56 2.361 18.595 -1.970 1.00 0.00 O ATOM 816 CB LYS A 56 1.916 21.537 -0.993 1.00 0.00 C ATOM 817 CG LYS A 56 1.645 21.196 0.480 1.00 0.00 C ATOM 818 CD LYS A 56 0.754 19.945 0.603 1.00 0.00 C ATOM 819 CE LYS A 56 -0.649 20.311 1.087 1.00 0.00 C ATOM 820 NZ LYS A 56 -1.683 19.714 0.213 1.00 0.00 N ATOM 0 H LYS A 56 2.462 21.332 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 56 4.006 21.173 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.050 22.613 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.052 21.261 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.589 21.026 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.161 22.041 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.689 19.445 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.208 19.239 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.787 19.962 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.761 21.395 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.627 19.977 0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.563 20.066 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.587 18.678 0.220 1.00 0.00 H new ATOM 834 N PHE A 57 3.854 18.825 -0.307 1.00 0.00 N ATOM 835 CA PHE A 57 3.924 17.410 0.039 1.00 0.00 C ATOM 836 C PHE A 57 3.316 17.163 1.409 1.00 0.00 C ATOM 837 O PHE A 57 2.498 16.265 1.580 1.00 0.00 O ATOM 838 CB PHE A 57 5.392 16.990 0.015 1.00 0.00 C ATOM 839 CG PHE A 57 6.109 17.422 -1.247 1.00 0.00 C ATOM 840 CD1 PHE A 57 5.930 16.694 -2.437 1.00 0.00 C ATOM 841 CD2 PHE A 57 6.960 18.542 -1.230 1.00 0.00 C ATOM 842 CE1 PHE A 57 6.635 17.060 -3.599 1.00 0.00 C ATOM 843 CE2 PHE A 57 7.661 18.908 -2.391 1.00 0.00 C ATOM 844 CZ PHE A 57 7.502 18.166 -3.572 1.00 0.00 C ATOM 0 H PHE A 57 4.424 19.420 0.294 1.00 0.00 H new ATOM 0 HA PHE A 57 3.356 16.820 -0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 57 5.901 17.416 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.456 15.906 0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.252 15.854 -2.459 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.074 19.120 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.510 16.492 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.323 19.761 -2.375 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.047 18.445 -4.462 1.00 0.00 H new ATOM 854 N GLY A 58 3.717 17.987 2.378 1.00 0.00 N ATOM 855 CA GLY A 58 3.306 17.861 3.769 1.00 0.00 C ATOM 856 C GLY A 58 4.488 17.693 4.713 1.00 0.00 C ATOM 857 O GLY A 58 4.294 17.574 5.915 1.00 0.00 O ATOM 0 H GLY A 58 4.347 18.772 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.737 18.745 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.639 17.005 3.871 1.00 0.00 H new ATOM 861 N LYS A 59 5.711 17.644 4.176 1.00 0.00 N ATOM 862 CA LYS A 59 6.931 17.538 4.975 1.00 0.00 C ATOM 863 C LYS A 59 7.612 18.881 5.038 1.00 0.00 C ATOM 864 O LYS A 59 7.591 19.600 4.053 1.00 0.00 O ATOM 865 CB LYS A 59 7.830 16.446 4.382 1.00 0.00 C ATOM 866 CG LYS A 59 7.221 15.067 4.693 1.00 0.00 C ATOM 867 CD LYS A 59 7.316 14.127 3.484 1.00 0.00 C ATOM 868 CE LYS A 59 6.231 13.049 3.547 1.00 0.00 C ATOM 869 NZ LYS A 59 6.704 11.870 4.299 1.00 0.00 N ATOM 0 H LYS A 59 5.881 17.677 3.171 1.00 0.00 H new ATOM 0 HA LYS A 59 6.697 17.249 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.924 16.581 3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.834 16.517 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.739 14.622 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.177 15.186 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.212 14.700 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.300 13.658 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.337 13.454 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.948 12.752 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.952 11.152 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.543 11.473 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.951 12.153 5.269 1.00 0.00 H new ATOM 883 N SER A 60 8.239 19.169 6.174 1.00 0.00 N ATOM 884 CA SER A 60 9.001 20.404 6.356 1.00 0.00 C ATOM 885 C SER A 60 10.377 20.308 5.703 1.00 0.00 C ATOM 886 O SER A 60 11.070 21.308 5.590 1.00 0.00 O ATOM 887 CB SER A 60 9.133 20.723 7.849 1.00 0.00 C ATOM 888 OG SER A 60 9.973 21.828 8.116 1.00 0.00 O ATOM 0 H SER A 60 8.235 18.558 6.991 1.00 0.00 H new ATOM 0 HA SER A 60 8.460 21.214 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.143 20.922 8.259 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.523 19.847 8.367 1.00 0.00 H new ATOM 0 HG SER A 60 10.555 21.991 7.344 1.00 0.00 H new ATOM 894 N ASP A 61 10.769 19.116 5.246 1.00 0.00 N ATOM 895 CA ASP A 61 12.053 18.878 4.602 1.00 0.00 C ATOM 896 C ASP A 61 11.930 19.112 3.110 1.00 0.00 C ATOM 897 O ASP A 61 12.724 19.845 2.533 1.00 0.00 O ATOM 898 CB ASP A 61 12.494 17.427 4.798 1.00 0.00 C ATOM 899 CG ASP A 61 13.097 17.172 6.174 1.00 0.00 C ATOM 900 OD1 ASP A 61 12.313 17.166 7.149 1.00 0.00 O ATOM 901 OD2 ASP A 61 14.336 17.007 6.223 1.00 0.00 O ATOM 0 H ASP A 61 10.190 18.279 5.317 1.00 0.00 H new ATOM 0 HA ASP A 61 12.779 19.557 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.637 16.769 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.226 17.168 4.033 1.00 0.00 H new ATOM 906 N CYS A 62 10.898 18.511 2.505 1.00 0.00 N ATOM 907 CA CYS A 62 10.606 18.717 1.099 1.00 0.00 C ATOM 908 C CYS A 62 10.020 20.104 0.838 1.00 0.00 C ATOM 909 O CYS A 62 9.974 20.548 -0.300 1.00 0.00 O ATOM 910 CB CYS A 62 9.646 17.621 0.616 1.00 0.00 C ATOM 911 SG CYS A 62 9.879 17.159 -1.102 1.00 0.00 S ATOM 0 H CYS A 62 10.254 17.877 2.978 1.00 0.00 H new ATOM 0 HA CYS A 62 11.540 18.657 0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.775 16.737 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.620 17.963 0.755 1.00 0.00 H new ATOM 916 N ASP A 63 9.542 20.756 1.899 1.00 0.00 N ATOM 917 CA ASP A 63 9.059 22.133 1.836 1.00 0.00 C ATOM 918 C ASP A 63 10.200 23.130 2.024 1.00 0.00 C ATOM 919 O ASP A 63 10.213 24.220 1.456 1.00 0.00 O ATOM 920 CB ASP A 63 8.032 22.350 2.950 1.00 0.00 C ATOM 921 CG ASP A 63 7.501 23.785 3.049 1.00 0.00 C ATOM 922 OD1 ASP A 63 7.286 24.419 1.993 1.00 0.00 O ATOM 923 OD2 ASP A 63 7.248 24.197 4.203 1.00 0.00 O ATOM 0 H ASP A 63 9.479 20.341 2.829 1.00 0.00 H new ATOM 0 HA ASP A 63 8.612 22.295 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.192 21.675 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.484 22.076 3.903 1.00 0.00 H new ATOM 928 N ARG A 64 11.194 22.757 2.838 1.00 0.00 N ATOM 929 CA ARG A 64 12.327 23.622 3.076 1.00 0.00 C ATOM 930 C ARG A 64 13.036 23.989 1.763 1.00 0.00 C ATOM 931 O ARG A 64 13.026 23.233 0.791 1.00 0.00 O ATOM 932 CB ARG A 64 13.288 22.964 4.069 1.00 0.00 C ATOM 933 CG ARG A 64 14.669 22.653 3.484 1.00 0.00 C ATOM 934 CD ARG A 64 15.559 21.902 4.442 1.00 0.00 C ATOM 935 NE ARG A 64 15.403 22.364 5.827 1.00 0.00 N ATOM 936 CZ ARG A 64 15.599 21.619 6.893 1.00 0.00 C ATOM 937 NH1 ARG A 64 16.040 20.397 6.777 1.00 0.00 N ATOM 938 NH2 ARG A 64 15.352 22.102 8.078 1.00 0.00 N ATOM 0 H ARG A 64 11.226 21.866 3.334 1.00 0.00 H new ATOM 0 HA ARG A 64 11.967 24.553 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.409 23.620 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.842 22.038 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.548 22.066 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.156 23.586 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.330 20.838 4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.599 22.020 4.137 1.00 0.00 H new ATOM 0 HE ARG A 64 15.122 23.334 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.236 20.011 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.189 19.827 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.007 23.057 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.504 21.525 8.906 1.00 0.00 H new ATOM 952 N PRO A 65 13.796 25.093 1.793 1.00 0.00 N ATOM 953 CA PRO A 65 14.602 25.465 0.656 1.00 0.00 C ATOM 954 C PRO A 65 15.816 24.545 0.429 1.00 0.00 C ATOM 955 O PRO A 65 16.481 24.155 1.396 1.00 0.00 O ATOM 956 CB PRO A 65 15.004 26.911 0.909 1.00 0.00 C ATOM 957 CG PRO A 65 14.818 27.142 2.412 1.00 0.00 C ATOM 958 CD PRO A 65 14.002 25.970 2.932 1.00 0.00 C ATOM 0 HA PRO A 65 14.036 25.356 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.038 27.087 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.385 27.596 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 65 15.782 27.198 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 65 14.305 28.085 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.529 25.452 3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.050 26.308 3.342 1.00 0.00 H new ATOM 966 N PRO A 66 16.138 24.210 -0.830 1.00 0.00 N ATOM 967 CA PRO A 66 17.291 23.404 -1.172 1.00 0.00 C ATOM 968 C PRO A 66 18.597 24.151 -0.963 1.00 0.00 C ATOM 969 O PRO A 66 18.615 25.342 -0.686 1.00 0.00 O ATOM 970 CB PRO A 66 17.078 22.982 -2.623 1.00 0.00 C ATOM 971 CG PRO A 66 16.060 23.964 -3.212 1.00 0.00 C ATOM 972 CD PRO A 66 15.462 24.687 -2.016 1.00 0.00 C ATOM 0 HA PRO A 66 17.377 22.534 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 66 18.015 23.014 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.708 21.958 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 66 16.539 24.665 -3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.291 23.440 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 66 15.586 25.765 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.391 24.495 -1.949 1.00 0.00 H new ATOM 980 N LYS A 67 19.712 23.430 -1.050 1.00 0.00 N ATOM 981 CA LYS A 67 21.036 24.030 -0.886 1.00 0.00 C ATOM 982 C LYS A 67 22.005 23.588 -1.966 1.00 0.00 C ATOM 983 O LYS A 67 23.121 23.150 -1.671 1.00 0.00 O ATOM 984 CB LYS A 67 21.535 23.811 0.548 1.00 0.00 C ATOM 985 CG LYS A 67 21.136 24.988 1.456 1.00 0.00 C ATOM 986 CD LYS A 67 22.379 25.648 2.071 1.00 0.00 C ATOM 987 CE LYS A 67 21.960 26.663 3.134 1.00 0.00 C ATOM 988 NZ LYS A 67 22.647 26.373 4.411 1.00 0.00 N ATOM 0 H LYS A 67 19.726 22.427 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 67 20.961 25.108 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 67 21.120 22.884 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 67 22.619 23.699 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.575 25.724 0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.477 24.634 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 67 23.022 24.888 2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.961 26.143 1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.204 27.672 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.880 26.627 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.356 27.068 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.393 25.417 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.676 26.429 4.272 1.00 0.00 H new ATOM 1002 N HIS A 68 21.556 23.699 -3.219 1.00 0.00 N ATOM 1003 CA HIS A 68 22.349 23.266 -4.364 1.00 0.00 C ATOM 1004 C HIS A 68 23.490 24.227 -4.649 1.00 0.00 C ATOM 1005 O HIS A 68 23.396 25.411 -4.369 1.00 0.00 O ATOM 1006 CB HIS A 68 21.444 23.001 -5.577 1.00 0.00 C ATOM 1007 CG HIS A 68 22.197 22.792 -6.860 1.00 0.00 C ATOM 1008 ND1 HIS A 68 22.540 23.807 -7.734 1.00 0.00 N ATOM 1009 CD2 HIS A 68 22.682 21.616 -7.341 1.00 0.00 C ATOM 1010 CE1 HIS A 68 23.206 23.244 -8.758 1.00 0.00 C ATOM 1011 NE2 HIS A 68 23.326 21.927 -8.515 1.00 0.00 N ATOM 0 H HIS A 68 20.645 24.087 -3.463 1.00 0.00 H new ATOM 0 HA HIS A 68 22.827 22.317 -4.123 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.833 22.121 -5.377 1.00 0.00 H new ATOM 0 HB3 HIS A 68 20.761 23.842 -5.700 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.582 20.639 -6.893 1.00 0.00 H new ATOM 0 HE1 HIS A 68 23.581 23.762 -9.628 1.00 0.00 H new ATOM 0 HE2 HIS A 68 23.819 21.261 -9.110 1.00 0.00 H new ATOM 1020 N SER A 69 24.541 23.753 -5.321 1.00 0.00 N ATOM 1021 CA SER A 69 25.656 24.619 -5.693 1.00 0.00 C ATOM 1022 C SER A 69 26.289 24.173 -7.001 1.00 0.00 C ATOM 1023 O SER A 69 25.714 23.427 -7.786 1.00 0.00 O ATOM 1024 CB SER A 69 26.645 24.657 -4.518 1.00 0.00 C ATOM 1025 OG SER A 69 27.673 23.688 -4.648 1.00 0.00 O ATOM 0 H SER A 69 24.641 22.782 -5.616 1.00 0.00 H new ATOM 0 HA SER A 69 25.307 25.634 -5.880 1.00 0.00 H new ATOM 0 HB2 SER A 69 27.091 25.650 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 69 26.105 24.488 -3.586 1.00 0.00 H new ATOM 0 HG SER A 69 28.279 23.749 -3.880 1.00 0.00 H new ATOM 1031 N LYS A 70 27.519 24.586 -7.254 1.00 0.00 N ATOM 1032 CA LYS A 70 28.281 24.088 -8.388 1.00 0.00 C ATOM 1033 C LYS A 70 28.948 22.753 -8.077 1.00 0.00 C ATOM 1034 O LYS A 70 30.147 22.716 -7.871 1.00 0.00 O ATOM 1035 CB LYS A 70 29.273 25.184 -8.781 1.00 0.00 C ATOM 1036 CG LYS A 70 28.879 25.751 -10.141 1.00 0.00 C ATOM 1037 CD LYS A 70 29.617 24.999 -11.256 1.00 0.00 C ATOM 1038 CE LYS A 70 29.619 25.834 -12.538 1.00 0.00 C ATOM 1039 NZ LYS A 70 30.997 26.252 -12.889 1.00 0.00 N ATOM 0 H LYS A 70 28.015 25.271 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 70 27.627 23.875 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 70 29.276 25.975 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 70 30.284 24.779 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.802 25.663 -10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.121 26.813 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 70 30.641 24.789 -10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.135 24.038 -11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 70 29.190 25.255 -13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 70 28.989 26.714 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 30.977 26.817 -13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.394 26.823 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.588 25.409 -13.036 1.00 0.00 H new ATOM 1053 N ASP A 71 28.165 21.679 -8.066 1.00 0.00 N ATOM 1054 CA ASP A 71 28.667 20.318 -7.834 1.00 0.00 C ATOM 1055 C ASP A 71 27.528 19.317 -7.954 1.00 0.00 C ATOM 1056 O ASP A 71 27.665 18.275 -8.591 1.00 0.00 O ATOM 1057 CB ASP A 71 29.281 20.204 -6.423 1.00 0.00 C ATOM 1058 CG ASP A 71 30.796 19.928 -6.418 1.00 0.00 C ATOM 1059 OD1 ASP A 71 31.505 20.322 -7.375 1.00 0.00 O ATOM 1060 OD2 ASP A 71 31.226 19.272 -5.444 1.00 0.00 O ATOM 0 H ASP A 71 27.157 21.723 -8.218 1.00 0.00 H new ATOM 0 HA ASP A 71 29.431 20.104 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.089 21.129 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 71 28.775 19.405 -5.882 1.00 0.00 H new ATOM 1065 N GLY A 72 26.396 19.668 -7.339 1.00 0.00 N ATOM 1066 CA GLY A 72 25.222 18.824 -7.321 1.00 0.00 C ATOM 1067 C GLY A 72 24.947 18.226 -5.958 1.00 0.00 C ATOM 1068 O GLY A 72 23.865 18.406 -5.442 1.00 0.00 O ATOM 0 H GLY A 72 26.278 20.550 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 72 24.357 19.407 -7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 72 25.348 18.020 -8.046 1.00 0.00 H new ATOM 1072 N ASN A 73 25.925 17.543 -5.372 1.00 0.00 N ATOM 1073 CA ASN A 73 25.809 16.902 -4.066 1.00 0.00 C ATOM 1074 C ASN A 73 27.068 17.268 -3.292 1.00 0.00 C ATOM 1075 O ASN A 73 27.912 16.406 -3.050 1.00 0.00 O ATOM 1076 CB ASN A 73 25.677 15.370 -4.209 1.00 0.00 C ATOM 1077 CG ASN A 73 26.476 14.850 -5.394 1.00 0.00 C ATOM 1078 OD1 ASN A 73 26.088 14.974 -6.548 1.00 0.00 O ATOM 1079 ND2 ASN A 73 27.652 14.321 -5.150 1.00 0.00 N ATOM 0 H ASN A 73 26.841 17.417 -5.801 1.00 0.00 H new ATOM 0 HA ASN A 73 24.915 17.242 -3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 73 26.023 14.887 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 73 24.627 15.104 -4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 73 28.243 14.013 -5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 73 27.975 14.218 -4.188 1.00 0.00 H new ATOM 1086 N GLY A 74 27.226 18.559 -2.983 1.00 0.00 N ATOM 1087 CA GLY A 74 28.377 19.056 -2.234 1.00 0.00 C ATOM 1088 C GLY A 74 28.421 18.473 -0.825 1.00 0.00 C ATOM 1089 O GLY A 74 28.377 17.269 -0.622 1.00 0.00 O ATOM 0 H GLY A 74 26.559 19.285 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 74 29.295 18.800 -2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 74 28.334 20.144 -2.178 1.00 0.00 H new ATOM 1093 N LYS A 75 28.508 19.333 0.191 1.00 0.00 N ATOM 1094 CA LYS A 75 28.515 18.865 1.581 1.00 0.00 C ATOM 1095 C LYS A 75 27.263 18.056 1.928 1.00 0.00 C ATOM 1096 O LYS A 75 27.198 16.845 1.790 1.00 0.00 O ATOM 1097 CB LYS A 75 28.729 20.075 2.502 1.00 0.00 C ATOM 1098 CG LYS A 75 30.221 20.354 2.710 1.00 0.00 C ATOM 1099 CD LYS A 75 30.499 20.604 4.196 1.00 0.00 C ATOM 1100 CE LYS A 75 31.989 20.873 4.416 1.00 0.00 C ATOM 1101 NZ LYS A 75 32.381 20.553 5.808 1.00 0.00 N ATOM 0 H LYS A 75 28.574 20.345 0.082 1.00 0.00 H new ATOM 0 HA LYS A 75 29.339 18.167 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 75 28.248 20.953 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 75 28.253 19.891 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 75 30.811 19.508 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 75 30.524 21.221 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 75 29.913 21.454 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 75 30.187 19.740 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.578 20.274 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.210 21.919 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.396 20.743 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 31.833 21.142 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 32.190 19.549 6.000 1.00 0.00 H new ATOM 1115 N THR A 76 26.262 18.748 2.449 1.00 0.00 N ATOM 1116 CA THR A 76 24.989 18.122 2.778 1.00 0.00 C ATOM 1117 C THR A 76 23.884 18.697 1.927 1.00 0.00 C ATOM 1118 O THR A 76 22.729 18.544 2.296 1.00 0.00 O ATOM 1119 CB THR A 76 24.738 18.237 4.287 1.00 0.00 C ATOM 1120 OG1 THR A 76 24.291 16.992 4.759 1.00 0.00 O ATOM 1121 CG2 THR A 76 23.722 19.310 4.710 1.00 0.00 C ATOM 0 H THR A 76 26.306 19.746 2.654 1.00 0.00 H new ATOM 0 HA THR A 76 25.015 17.057 2.545 1.00 0.00 H new ATOM 0 HB THR A 76 25.689 18.544 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 76 24.127 17.048 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 76 23.620 19.307 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 76 24.069 20.290 4.381 1.00 0.00 H new ATOM 0 HG23 THR A 76 22.755 19.096 4.254 1.00 0.00 H new ATOM 1129 N ASP A 77 24.235 19.388 0.838 1.00 0.00 N ATOM 1130 CA ASP A 77 23.276 20.003 -0.064 1.00 0.00 C ATOM 1131 C ASP A 77 21.959 19.228 -0.074 1.00 0.00 C ATOM 1132 O ASP A 77 21.864 18.188 -0.689 1.00 0.00 O ATOM 1133 CB ASP A 77 23.846 20.041 -1.484 1.00 0.00 C ATOM 1134 CG ASP A 77 22.759 20.434 -2.484 1.00 0.00 C ATOM 1135 OD1 ASP A 77 21.670 20.898 -2.048 1.00 0.00 O ATOM 1136 OD2 ASP A 77 23.059 20.294 -3.680 1.00 0.00 O ATOM 0 H ASP A 77 25.206 19.534 0.561 1.00 0.00 H new ATOM 0 HA ASP A 77 23.085 21.017 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.669 20.754 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.254 19.064 -1.745 1.00 0.00 H new ATOM 1141 N HIS A 78 20.940 19.726 0.621 1.00 0.00 N ATOM 1142 CA HIS A 78 19.674 19.020 0.743 1.00 0.00 C ATOM 1143 C HIS A 78 18.791 19.401 -0.434 1.00 0.00 C ATOM 1144 O HIS A 78 17.770 20.069 -0.252 1.00 0.00 O ATOM 1145 CB HIS A 78 19.040 19.295 2.107 1.00 0.00 C ATOM 1146 CG HIS A 78 19.125 20.732 2.543 1.00 0.00 C ATOM 1147 ND1 HIS A 78 20.206 21.364 3.096 1.00 0.00 N flip ATOM 1148 CD2 HIS A 78 18.097 21.635 2.421 1.00 0.00 C flip ATOM 1149 CE1 HIS A 78 19.794 22.649 3.372 1.00 0.00 C flip ATOM 1150 NE2 HIS A 78 18.528 22.798 2.942 1.00 0.00 N flip ATOM 0 H HIS A 78 20.970 20.621 1.110 1.00 0.00 H new ATOM 0 HA HIS A 78 19.822 17.941 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 78 17.992 18.997 2.076 1.00 0.00 H new ATOM 0 HB3 HIS A 78 19.527 18.670 2.855 1.00 0.00 H new ATOM 0 HD2 HIS A 78 17.126 21.447 1.988 1.00 0.00 H new ATOM 0 HE1 HIS A 78 20.389 23.411 3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 78 17.981 23.657 3.002 1.00 0.00 H new ATOM 1159 N TYR A 79 19.231 19.038 -1.630 1.00 0.00 N ATOM 1160 CA TYR A 79 18.556 19.341 -2.871 1.00 0.00 C ATOM 1161 C TYR A 79 17.588 18.219 -3.210 1.00 0.00 C ATOM 1162 O TYR A 79 17.883 17.037 -3.042 1.00 0.00 O ATOM 1163 CB TYR A 79 19.593 19.520 -3.975 1.00 0.00 C ATOM 1164 CG TYR A 79 20.256 18.237 -4.413 1.00 0.00 C ATOM 1165 CD1 TYR A 79 21.344 17.719 -3.701 1.00 0.00 C ATOM 1166 CD2 TYR A 79 19.752 17.528 -5.508 1.00 0.00 C ATOM 1167 CE1 TYR A 79 21.952 16.519 -4.065 1.00 0.00 C ATOM 1168 CE2 TYR A 79 20.369 16.332 -5.903 1.00 0.00 C ATOM 1169 CZ TYR A 79 21.458 15.829 -5.167 1.00 0.00 C ATOM 1170 OH TYR A 79 22.013 14.640 -5.440 1.00 0.00 O ATOM 0 H TYR A 79 20.093 18.509 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 79 17.988 20.266 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 79 19.113 19.981 -4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 79 20.360 20.213 -3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 79 21.722 18.263 -2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.893 17.899 -6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 79 22.789 16.133 -3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.009 15.798 -6.770 1.00 0.00 H new ATOM 0 HH TYR A 79 21.308 13.969 -5.559 1.00 0.00 H new ATOM 1180 N LEU A 80 16.392 18.589 -3.644 1.00 0.00 N ATOM 1181 CA LEU A 80 15.436 17.582 -4.068 1.00 0.00 C ATOM 1182 C LEU A 80 15.854 17.034 -5.425 1.00 0.00 C ATOM 1183 O LEU A 80 16.292 17.771 -6.287 1.00 0.00 O ATOM 1184 CB LEU A 80 14.040 18.230 -4.093 1.00 0.00 C ATOM 1185 CG LEU A 80 13.299 17.898 -2.792 1.00 0.00 C ATOM 1186 CD1 LEU A 80 12.580 19.128 -2.257 1.00 0.00 C ATOM 1187 CD2 LEU A 80 12.319 16.775 -3.060 1.00 0.00 C ATOM 0 H LEU A 80 16.068 19.554 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 80 15.407 16.738 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 80 14.131 19.310 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 80 13.473 17.866 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 80 14.015 17.580 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.060 18.873 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.306 19.916 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.858 19.477 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.786 16.530 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.605 17.089 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.860 15.896 -3.411 1.00 0.00 H new ATOM 1199 N LEU A 81 15.670 15.742 -5.641 1.00 0.00 N ATOM 1200 CA LEU A 81 15.960 15.127 -6.927 1.00 0.00 C ATOM 1201 C LEU A 81 14.819 14.211 -7.312 1.00 0.00 C ATOM 1202 O LEU A 81 14.213 13.560 -6.461 1.00 0.00 O ATOM 1203 CB LEU A 81 17.321 14.422 -6.818 1.00 0.00 C ATOM 1204 CG LEU A 81 17.583 13.362 -7.903 1.00 0.00 C ATOM 1205 CD1 LEU A 81 19.067 13.312 -8.263 1.00 0.00 C ATOM 1206 CD2 LEU A 81 17.078 11.991 -7.475 1.00 0.00 C ATOM 0 H LEU A 81 15.318 15.094 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 81 16.038 15.861 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 81 18.109 15.173 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.392 13.947 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 81 17.026 13.652 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.230 12.556 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.383 14.285 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.648 13.059 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.279 11.267 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 81 17.588 11.684 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.005 12.040 -7.292 1.00 0.00 H new ATOM 1218 N GLU A 82 14.525 14.165 -8.602 1.00 0.00 N ATOM 1219 CA GLU A 82 13.469 13.356 -9.148 1.00 0.00 C ATOM 1220 C GLU A 82 14.020 12.191 -9.946 1.00 0.00 C ATOM 1221 O GLU A 82 15.158 12.217 -10.420 1.00 0.00 O ATOM 1222 CB GLU A 82 12.559 14.206 -10.040 1.00 0.00 C ATOM 1223 CG GLU A 82 13.152 14.664 -11.346 1.00 0.00 C ATOM 1224 CD GLU A 82 13.748 16.064 -11.223 1.00 0.00 C ATOM 1225 OE1 GLU A 82 14.569 16.247 -10.324 1.00 0.00 O ATOM 1226 OE2 GLU A 82 13.399 16.865 -12.126 1.00 0.00 O ATOM 0 H GLU A 82 15.030 14.704 -9.306 1.00 0.00 H new ATOM 0 HA GLU A 82 12.892 12.957 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.657 13.633 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.251 15.086 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.925 13.964 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.383 14.660 -12.118 1.00 0.00 H new ATOM 1233 N PHE A 83 13.165 11.219 -10.247 1.00 0.00 N ATOM 1234 CA PHE A 83 13.607 10.050 -10.996 1.00 0.00 C ATOM 1235 C PHE A 83 12.503 9.467 -11.869 1.00 0.00 C ATOM 1236 O PHE A 83 11.379 9.371 -11.383 1.00 0.00 O ATOM 1237 CB PHE A 83 14.002 8.985 -9.994 1.00 0.00 C ATOM 1238 CG PHE A 83 14.706 7.808 -10.589 1.00 0.00 C ATOM 1239 CD1 PHE A 83 15.938 7.986 -11.236 1.00 0.00 C ATOM 1240 CD2 PHE A 83 14.118 6.537 -10.514 1.00 0.00 C ATOM 1241 CE1 PHE A 83 16.606 6.907 -11.813 1.00 0.00 C ATOM 1242 CE2 PHE A 83 14.815 5.455 -11.054 1.00 0.00 C ATOM 1243 CZ PHE A 83 16.032 5.643 -11.697 1.00 0.00 C ATOM 0 H PHE A 83 12.178 11.216 -9.989 1.00 0.00 H new ATOM 0 HA PHE A 83 14.430 10.354 -11.642 1.00 0.00 H new ATOM 0 HB2 PHE A 83 14.647 9.435 -9.239 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.106 8.636 -9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.375 8.972 -11.288 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.152 6.399 -10.051 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.541 7.047 -12.335 1.00 0.00 H new ATOM 0 HE2 PHE A 83 14.403 4.460 -10.971 1.00 0.00 H new ATOM 0 HZ PHE A 83 16.545 4.790 -12.116 1.00 0.00 H new ATOM 1253 N PRO A 84 12.786 9.112 -13.138 1.00 0.00 N ATOM 1254 CA PRO A 84 11.805 8.623 -14.096 1.00 0.00 C ATOM 1255 C PRO A 84 11.345 7.243 -13.726 1.00 0.00 C ATOM 1256 O PRO A 84 11.919 6.280 -14.192 1.00 0.00 O ATOM 1257 CB PRO A 84 12.457 8.673 -15.471 1.00 0.00 C ATOM 1258 CG PRO A 84 13.948 8.773 -15.199 1.00 0.00 C ATOM 1259 CD PRO A 84 14.103 9.134 -13.730 1.00 0.00 C ATOM 0 HA PRO A 84 10.909 9.243 -14.098 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.221 7.781 -16.052 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.103 9.530 -16.044 1.00 0.00 H new ATOM 0 HG2 PRO A 84 14.445 7.829 -15.420 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.407 9.531 -15.834 1.00 0.00 H new ATOM 0 HD2 PRO A 84 14.761 8.425 -13.228 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.555 10.120 -13.623 1.00 0.00 H new ATOM 1267 N THR A 85 10.304 7.171 -12.900 1.00 0.00 N ATOM 1268 CA THR A 85 9.735 5.915 -12.451 1.00 0.00 C ATOM 1269 C THR A 85 8.691 5.384 -13.422 1.00 0.00 C ATOM 1270 O THR A 85 7.651 6.006 -13.625 1.00 0.00 O ATOM 1271 CB THR A 85 9.188 6.019 -11.027 1.00 0.00 C ATOM 1272 OG1 THR A 85 8.380 4.919 -10.740 1.00 0.00 O ATOM 1273 CG2 THR A 85 8.318 7.255 -10.832 1.00 0.00 C ATOM 0 H THR A 85 9.832 7.993 -12.524 1.00 0.00 H new ATOM 0 HA THR A 85 10.546 5.187 -12.430 1.00 0.00 H new ATOM 0 HB THR A 85 10.057 6.069 -10.371 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.036 4.995 -9.825 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.953 7.285 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.907 8.150 -11.034 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.471 7.216 -11.517 1.00 0.00 H new ATOM 1281 N PHE A 86 8.955 4.235 -14.027 1.00 0.00 N ATOM 1282 CA PHE A 86 8.054 3.613 -14.977 1.00 0.00 C ATOM 1283 C PHE A 86 6.973 2.789 -14.270 1.00 0.00 C ATOM 1284 O PHE A 86 7.143 2.394 -13.110 1.00 0.00 O ATOM 1285 CB PHE A 86 8.874 2.710 -15.902 1.00 0.00 C ATOM 1286 CG PHE A 86 9.787 3.467 -16.838 1.00 0.00 C ATOM 1287 CD1 PHE A 86 10.891 4.181 -16.349 1.00 0.00 C ATOM 1288 CD2 PHE A 86 9.521 3.485 -18.210 1.00 0.00 C ATOM 1289 CE1 PHE A 86 11.781 4.843 -17.197 1.00 0.00 C ATOM 1290 CE2 PHE A 86 10.397 4.165 -19.066 1.00 0.00 C ATOM 1291 CZ PHE A 86 11.534 4.829 -18.569 1.00 0.00 C ATOM 0 H PHE A 86 9.812 3.705 -13.868 1.00 0.00 H new ATOM 0 HA PHE A 86 7.550 4.392 -15.549 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.473 2.031 -15.295 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.194 2.095 -16.491 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.058 4.220 -15.283 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.651 2.981 -18.605 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.644 5.356 -16.798 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.196 4.180 -20.127 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.212 5.325 -19.247 1.00 0.00 H new ATOM 1301 N PRO A 87 5.869 2.506 -14.978 1.00 0.00 N ATOM 1302 CA PRO A 87 4.783 1.718 -14.432 1.00 0.00 C ATOM 1303 C PRO A 87 5.132 0.248 -14.373 1.00 0.00 C ATOM 1304 O PRO A 87 4.916 -0.402 -13.348 1.00 0.00 O ATOM 1305 CB PRO A 87 3.602 1.952 -15.362 1.00 0.00 C ATOM 1306 CG PRO A 87 4.175 2.506 -16.664 1.00 0.00 C ATOM 1307 CD PRO A 87 5.609 2.905 -16.358 1.00 0.00 C ATOM 0 HA PRO A 87 4.562 2.014 -13.407 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.060 1.023 -15.541 1.00 0.00 H new ATOM 0 HB3 PRO A 87 2.894 2.654 -14.921 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.139 1.757 -17.455 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.598 3.363 -17.010 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.302 2.413 -17.040 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.747 3.979 -16.483 1.00 0.00 H new ATOM 1315 N ASP A 88 5.726 -0.278 -15.452 1.00 0.00 N ATOM 1316 CA ASP A 88 6.160 -1.674 -15.518 1.00 0.00 C ATOM 1317 C ASP A 88 7.035 -2.009 -14.307 1.00 0.00 C ATOM 1318 O ASP A 88 7.110 -3.143 -13.825 1.00 0.00 O ATOM 1319 CB ASP A 88 6.971 -1.944 -16.794 1.00 0.00 C ATOM 1320 CG ASP A 88 6.488 -1.175 -18.024 1.00 0.00 C ATOM 1321 OD1 ASP A 88 6.823 0.030 -18.089 1.00 0.00 O ATOM 1322 OD2 ASP A 88 5.850 -1.810 -18.881 1.00 0.00 O ATOM 0 H ASP A 88 5.918 0.254 -16.301 1.00 0.00 H new ATOM 0 HA ASP A 88 5.266 -2.297 -15.524 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.014 -1.689 -16.608 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.938 -3.011 -17.012 1.00 0.00 H new ATOM 1327 N GLY A 89 7.716 -0.982 -13.789 1.00 0.00 N ATOM 1328 CA GLY A 89 8.607 -1.090 -12.666 1.00 0.00 C ATOM 1329 C GLY A 89 9.982 -1.563 -13.083 1.00 0.00 C ATOM 1330 O GLY A 89 10.884 -1.524 -12.255 1.00 0.00 O ATOM 0 H GLY A 89 7.650 -0.034 -14.160 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.690 -0.121 -12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.190 -1.784 -11.936 1.00 0.00 H new ATOM 1334 N HIS A 90 10.109 -2.084 -14.315 1.00 0.00 N ATOM 1335 CA HIS A 90 11.376 -2.549 -14.864 1.00 0.00 C ATOM 1336 C HIS A 90 12.429 -1.476 -14.638 1.00 0.00 C ATOM 1337 O HIS A 90 12.111 -0.311 -14.753 1.00 0.00 O ATOM 1338 CB HIS A 90 11.214 -2.910 -16.358 1.00 0.00 C ATOM 1339 CG HIS A 90 11.104 -1.759 -17.356 1.00 0.00 C ATOM 1340 ND1 HIS A 90 11.940 -0.683 -17.508 1.00 0.00 N flip ATOM 1341 CD2 HIS A 90 10.115 -1.633 -18.311 1.00 0.00 C flip ATOM 1342 CE1 HIS A 90 11.437 0.119 -18.502 1.00 0.00 C flip ATOM 1343 NE2 HIS A 90 10.339 -0.486 -18.990 1.00 0.00 N flip ATOM 0 H HIS A 90 9.323 -2.191 -14.956 1.00 0.00 H new ATOM 0 HA HIS A 90 11.700 -3.458 -14.357 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.065 -3.527 -16.649 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.322 -3.529 -16.459 1.00 0.00 H new ATOM 0 HD1 HIS A 90 12.791 -0.508 -16.973 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.306 -2.327 -18.485 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.847 1.062 -18.832 1.00 0.00 H new ATOM 1352 N ASP A 91 13.663 -1.853 -14.348 1.00 0.00 N ATOM 1353 CA ASP A 91 14.744 -0.877 -14.174 1.00 0.00 C ATOM 1354 C ASP A 91 15.025 -0.107 -15.465 1.00 0.00 C ATOM 1355 O ASP A 91 15.005 -0.657 -16.565 1.00 0.00 O ATOM 1356 CB ASP A 91 16.009 -1.637 -13.799 1.00 0.00 C ATOM 1357 CG ASP A 91 17.227 -0.729 -13.718 1.00 0.00 C ATOM 1358 OD1 ASP A 91 17.222 0.078 -12.753 1.00 0.00 O ATOM 1359 OD2 ASP A 91 18.114 -0.883 -14.579 1.00 0.00 O ATOM 0 H ASP A 91 13.948 -2.825 -14.227 1.00 0.00 H new ATOM 0 HA ASP A 91 14.446 -0.166 -13.403 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.862 -2.130 -12.838 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.191 -2.420 -14.535 1.00 0.00 H new ATOM 1364 N TYR A 92 15.228 1.191 -15.330 1.00 0.00 N ATOM 1365 CA TYR A 92 15.401 2.093 -16.448 1.00 0.00 C ATOM 1366 C TYR A 92 16.889 2.248 -16.689 1.00 0.00 C ATOM 1367 O TYR A 92 17.688 2.237 -15.765 1.00 0.00 O ATOM 1368 CB TYR A 92 14.711 3.428 -16.120 1.00 0.00 C ATOM 1369 CG TYR A 92 13.696 3.351 -14.986 1.00 0.00 C ATOM 1370 CD1 TYR A 92 12.691 2.371 -15.009 1.00 0.00 C ATOM 1371 CD2 TYR A 92 13.757 4.231 -13.896 1.00 0.00 C ATOM 1372 CE1 TYR A 92 11.743 2.273 -13.973 1.00 0.00 C ATOM 1373 CE2 TYR A 92 12.776 4.142 -12.884 1.00 0.00 C ATOM 1374 CZ TYR A 92 11.777 3.167 -12.919 1.00 0.00 C ATOM 1375 OH TYR A 92 10.851 3.083 -11.935 1.00 0.00 O ATOM 0 H TYR A 92 15.278 1.654 -14.422 1.00 0.00 H new ATOM 0 HA TYR A 92 14.944 1.710 -17.361 1.00 0.00 H new ATOM 0 HB2 TYR A 92 15.473 4.162 -15.860 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.209 3.793 -17.016 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.644 1.679 -15.837 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.544 4.968 -13.831 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.989 1.500 -14.002 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.799 4.844 -12.064 1.00 0.00 H new ATOM 0 HH TYR A 92 10.566 2.151 -11.833 1.00 0.00 H new ATOM 1385 N LYS A 93 17.282 2.456 -17.933 1.00 0.00 N ATOM 1386 CA LYS A 93 18.680 2.701 -18.253 1.00 0.00 C ATOM 1387 C LYS A 93 18.995 4.174 -18.061 1.00 0.00 C ATOM 1388 O LYS A 93 19.185 4.914 -19.020 1.00 0.00 O ATOM 1389 CB LYS A 93 18.978 2.180 -19.648 1.00 0.00 C ATOM 1390 CG LYS A 93 17.872 2.576 -20.638 1.00 0.00 C ATOM 1391 CD LYS A 93 18.389 2.436 -22.057 1.00 0.00 C ATOM 1392 CE LYS A 93 18.504 0.992 -22.492 1.00 0.00 C ATOM 1393 NZ LYS A 93 18.822 0.937 -23.927 1.00 0.00 N ATOM 0 H LYS A 93 16.655 2.461 -18.738 1.00 0.00 H new ATOM 0 HA LYS A 93 19.339 2.158 -17.576 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.934 2.576 -19.990 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.074 1.095 -19.621 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.997 1.942 -20.494 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.556 3.603 -20.455 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.721 2.965 -22.737 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.366 2.914 -22.133 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.281 0.488 -21.917 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.570 0.466 -22.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.379 0.082 -24.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.940 0.912 -24.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.372 1.779 -24.193 1.00 0.00 H new ATOM 1407 N PHE A 94 18.980 4.608 -16.812 1.00 0.00 N ATOM 1408 CA PHE A 94 19.308 5.966 -16.442 1.00 0.00 C ATOM 1409 C PHE A 94 20.810 6.163 -16.312 1.00 0.00 C ATOM 1410 O PHE A 94 21.268 7.290 -16.373 1.00 0.00 O ATOM 1411 CB PHE A 94 18.600 6.300 -15.139 1.00 0.00 C ATOM 1412 CG PHE A 94 18.814 5.280 -14.049 1.00 0.00 C ATOM 1413 CD1 PHE A 94 19.930 5.324 -13.198 1.00 0.00 C ATOM 1414 CD2 PHE A 94 17.897 4.239 -13.930 1.00 0.00 C ATOM 1415 CE1 PHE A 94 20.094 4.320 -12.221 1.00 0.00 C ATOM 1416 CE2 PHE A 94 18.069 3.229 -12.977 1.00 0.00 C ATOM 1417 CZ PHE A 94 19.162 3.274 -12.108 1.00 0.00 C ATOM 0 H PHE A 94 18.736 4.015 -16.019 1.00 0.00 H new ATOM 0 HA PHE A 94 18.970 6.642 -17.228 1.00 0.00 H new ATOM 0 HB2 PHE A 94 18.947 7.272 -14.787 1.00 0.00 H new ATOM 0 HB3 PHE A 94 17.531 6.393 -15.331 1.00 0.00 H new ATOM 0 HD1 PHE A 94 20.656 6.119 -13.291 1.00 0.00 H new ATOM 0 HD2 PHE A 94 17.038 4.211 -14.584 1.00 0.00 H new ATOM 0 HE1 PHE A 94 20.943 4.355 -11.554 1.00 0.00 H new ATOM 0 HE2 PHE A 94 17.359 2.417 -12.913 1.00 0.00 H new ATOM 0 HZ PHE A 94 19.290 2.511 -11.355 1.00 0.00 H new ATOM 1427 N ASP A 95 21.579 5.084 -16.215 1.00 0.00 N ATOM 1428 CA ASP A 95 23.036 5.130 -16.116 1.00 0.00 C ATOM 1429 C ASP A 95 23.666 5.094 -17.505 1.00 0.00 C ATOM 1430 O ASP A 95 24.705 5.699 -17.741 1.00 0.00 O ATOM 1431 CB ASP A 95 23.506 3.929 -15.288 1.00 0.00 C ATOM 1432 CG ASP A 95 24.992 3.592 -15.475 1.00 0.00 C ATOM 1433 OD1 ASP A 95 25.324 3.092 -16.574 1.00 0.00 O ATOM 1434 OD2 ASP A 95 25.753 3.828 -14.514 1.00 0.00 O ATOM 0 H ASP A 95 21.202 4.136 -16.203 1.00 0.00 H new ATOM 0 HA ASP A 95 23.343 6.057 -15.632 1.00 0.00 H new ATOM 0 HB2 ASP A 95 23.319 4.131 -14.233 1.00 0.00 H new ATOM 0 HB3 ASP A 95 22.909 3.058 -15.557 1.00 0.00 H new ATOM 1439 N SER A 96 23.004 4.427 -18.452 1.00 0.00 N ATOM 1440 CA SER A 96 23.525 4.264 -19.795 1.00 0.00 C ATOM 1441 C SER A 96 23.025 5.412 -20.636 1.00 0.00 C ATOM 1442 O SER A 96 21.839 5.513 -20.941 1.00 0.00 O ATOM 1443 CB SER A 96 23.095 2.928 -20.399 1.00 0.00 C ATOM 1444 OG SER A 96 24.018 2.508 -21.392 1.00 0.00 O ATOM 0 H SER A 96 22.095 3.989 -18.303 1.00 0.00 H new ATOM 0 HA SER A 96 24.615 4.265 -19.765 1.00 0.00 H new ATOM 0 HB2 SER A 96 23.028 2.173 -19.615 1.00 0.00 H new ATOM 0 HB3 SER A 96 22.101 3.024 -20.836 1.00 0.00 H new ATOM 0 HG SER A 96 23.728 1.650 -21.767 1.00 0.00 H new ATOM 1450 N LYS A 97 23.935 6.309 -21.016 1.00 0.00 N ATOM 1451 CA LYS A 97 23.572 7.460 -21.837 1.00 0.00 C ATOM 1452 C LYS A 97 23.001 7.004 -23.156 1.00 0.00 C ATOM 1453 O LYS A 97 22.028 7.567 -23.652 1.00 0.00 O ATOM 1454 CB LYS A 97 24.774 8.402 -21.990 1.00 0.00 C ATOM 1455 CG LYS A 97 25.680 8.021 -23.165 1.00 0.00 C ATOM 1456 CD LYS A 97 26.860 8.964 -23.325 1.00 0.00 C ATOM 1457 CE LYS A 97 26.701 9.809 -24.598 1.00 0.00 C ATOM 1458 NZ LYS A 97 27.579 9.297 -25.676 1.00 0.00 N ATOM 0 H LYS A 97 24.923 6.260 -20.769 1.00 0.00 H new ATOM 0 HA LYS A 97 22.788 8.033 -21.342 1.00 0.00 H new ATOM 0 HB2 LYS A 97 24.415 9.422 -22.129 1.00 0.00 H new ATOM 0 HB3 LYS A 97 25.357 8.392 -21.069 1.00 0.00 H new ATOM 0 HG2 LYS A 97 26.049 7.006 -23.020 1.00 0.00 H new ATOM 0 HG3 LYS A 97 25.094 8.019 -24.084 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.933 9.616 -22.455 1.00 0.00 H new ATOM 0 HD3 LYS A 97 27.787 8.392 -23.374 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.662 9.789 -24.927 1.00 0.00 H new ATOM 0 HE3 LYS A 97 26.947 10.849 -24.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.458 9.880 -26.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 28.571 9.339 -25.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.325 8.312 -25.892 1.00 0.00 H new ATOM 1472 N LYS A 98 23.688 6.036 -23.773 1.00 0.00 N ATOM 1473 CA LYS A 98 23.320 5.498 -25.055 1.00 0.00 C ATOM 1474 C LYS A 98 23.553 3.978 -25.073 1.00 0.00 C ATOM 1475 O LYS A 98 24.651 3.545 -24.732 1.00 0.00 O ATOM 1476 CB LYS A 98 24.000 6.234 -26.210 1.00 0.00 C ATOM 1477 CG LYS A 98 23.315 7.596 -26.452 1.00 0.00 C ATOM 1478 CD LYS A 98 23.411 8.020 -27.923 1.00 0.00 C ATOM 1479 CE LYS A 98 24.030 9.414 -28.054 1.00 0.00 C ATOM 1480 NZ LYS A 98 22.994 10.433 -28.333 1.00 0.00 N ATOM 0 H LYS A 98 24.525 5.609 -23.377 1.00 0.00 H new ATOM 0 HA LYS A 98 22.254 5.664 -25.211 1.00 0.00 H new ATOM 0 HB2 LYS A 98 25.055 6.385 -25.983 1.00 0.00 H new ATOM 0 HB3 LYS A 98 23.952 5.629 -27.115 1.00 0.00 H new ATOM 0 HG2 LYS A 98 22.267 7.535 -26.157 1.00 0.00 H new ATOM 0 HG3 LYS A 98 23.779 8.355 -25.822 1.00 0.00 H new ATOM 0 HD2 LYS A 98 24.013 7.298 -28.475 1.00 0.00 H new ATOM 0 HD3 LYS A 98 22.418 8.016 -28.372 1.00 0.00 H new ATOM 0 HE2 LYS A 98 24.557 9.669 -27.135 1.00 0.00 H new ATOM 0 HE3 LYS A 98 24.769 9.413 -28.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 23.441 11.368 -28.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 22.509 10.200 -29.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 22.303 10.448 -27.556 1.00 0.00 H new ATOM 1494 N PRO A 99 22.522 3.213 -25.476 1.00 0.00 N ATOM 1495 CA PRO A 99 21.212 3.762 -25.804 1.00 0.00 C ATOM 1496 C PRO A 99 20.489 4.264 -24.558 1.00 0.00 C ATOM 1497 O PRO A 99 20.989 4.114 -23.454 1.00 0.00 O ATOM 1498 CB PRO A 99 20.461 2.685 -26.550 1.00 0.00 C ATOM 1499 CG PRO A 99 21.195 1.383 -26.202 1.00 0.00 C ATOM 1500 CD PRO A 99 22.520 1.762 -25.533 1.00 0.00 C ATOM 0 HA PRO A 99 21.296 4.644 -26.439 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.416 2.645 -26.241 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.469 2.869 -27.624 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.591 0.770 -25.534 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.375 0.793 -27.101 1.00 0.00 H new ATOM 0 HD2 PRO A 99 22.594 1.330 -24.535 1.00 0.00 H new ATOM 0 HD3 PRO A 99 23.370 1.390 -26.106 1.00 0.00 H new ATOM 1508 N LYS A 100 19.312 4.844 -24.745 1.00 0.00 N ATOM 1509 CA LYS A 100 18.473 5.334 -23.656 1.00 0.00 C ATOM 1510 C LYS A 100 17.018 4.976 -23.922 1.00 0.00 C ATOM 1511 O LYS A 100 16.643 4.810 -25.078 1.00 0.00 O ATOM 1512 CB LYS A 100 18.704 6.826 -23.458 1.00 0.00 C ATOM 1513 CG LYS A 100 17.944 7.700 -24.469 1.00 0.00 C ATOM 1514 CD LYS A 100 16.949 8.622 -23.749 1.00 0.00 C ATOM 1515 CE LYS A 100 17.547 10.022 -23.630 1.00 0.00 C ATOM 1516 NZ LYS A 100 17.548 10.691 -24.951 1.00 0.00 N ATOM 0 H LYS A 100 18.906 4.990 -25.669 1.00 0.00 H new ATOM 0 HA LYS A 100 18.745 4.849 -22.718 1.00 0.00 H new ATOM 0 HB2 LYS A 100 18.400 7.103 -22.449 1.00 0.00 H new ATOM 0 HB3 LYS A 100 19.771 7.035 -23.538 1.00 0.00 H new ATOM 0 HG2 LYS A 100 18.651 8.298 -25.044 1.00 0.00 H new ATOM 0 HG3 LYS A 100 17.412 7.066 -25.178 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.009 8.662 -24.300 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.721 8.227 -22.759 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.972 10.612 -22.916 1.00 0.00 H new ATOM 0 HE3 LYS A 100 18.565 9.959 -23.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.559 11.722 -24.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.392 10.402 -25.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.694 10.419 -25.478 1.00 0.00 H new ATOM 1530 N GLU A 101 16.247 4.826 -22.860 1.00 0.00 N ATOM 1531 CA GLU A 101 14.837 4.481 -22.975 1.00 0.00 C ATOM 1532 C GLU A 101 14.005 5.727 -22.710 1.00 0.00 C ATOM 1533 O GLU A 101 14.392 6.593 -21.917 1.00 0.00 O ATOM 1534 CB GLU A 101 14.483 3.342 -22.011 1.00 0.00 C ATOM 1535 CG GLU A 101 13.098 2.758 -22.334 1.00 0.00 C ATOM 1536 CD GLU A 101 13.222 1.577 -23.294 1.00 0.00 C ATOM 1537 OE1 GLU A 101 13.867 1.770 -24.351 1.00 0.00 O ATOM 1538 OE2 GLU A 101 12.719 0.496 -22.929 1.00 0.00 O ATOM 0 H GLU A 101 16.574 4.938 -21.901 1.00 0.00 H new ATOM 0 HA GLU A 101 14.619 4.124 -23.981 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.237 2.557 -22.077 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.496 3.711 -20.986 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.610 2.436 -21.414 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.467 3.529 -22.777 1.00 0.00 H new ATOM 1545 N ASN A 102 12.871 5.818 -23.400 1.00 0.00 N ATOM 1546 CA ASN A 102 11.940 6.909 -23.225 1.00 0.00 C ATOM 1547 C ASN A 102 11.502 7.021 -21.760 1.00 0.00 C ATOM 1548 O ASN A 102 10.971 6.046 -21.240 1.00 0.00 O ATOM 1549 CB ASN A 102 10.710 6.725 -24.121 1.00 0.00 C ATOM 1550 CG ASN A 102 10.334 8.028 -24.791 1.00 0.00 C ATOM 1551 OD1 ASN A 102 11.167 8.834 -25.171 1.00 0.00 O ATOM 1552 ND2 ASN A 102 9.058 8.267 -24.943 1.00 0.00 N ATOM 0 H ASN A 102 12.579 5.132 -24.096 1.00 0.00 H new ATOM 0 HA ASN A 102 12.449 7.829 -23.512 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.916 5.968 -24.878 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.872 6.362 -23.526 1.00 0.00 H new ATOM 0 HD21 ASN A 102 8.750 9.134 -25.383 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.370 7.586 -24.622 1.00 0.00 H new ATOM 1559 N PRO A 103 11.746 8.160 -21.095 1.00 0.00 N ATOM 1560 CA PRO A 103 11.336 8.368 -19.720 1.00 0.00 C ATOM 1561 C PRO A 103 9.821 8.539 -19.600 1.00 0.00 C ATOM 1562 O PRO A 103 9.045 8.236 -20.499 1.00 0.00 O ATOM 1563 CB PRO A 103 12.145 9.580 -19.247 1.00 0.00 C ATOM 1564 CG PRO A 103 12.597 10.307 -20.517 1.00 0.00 C ATOM 1565 CD PRO A 103 12.375 9.336 -21.666 1.00 0.00 C ATOM 0 HA PRO A 103 11.540 7.507 -19.084 1.00 0.00 H new ATOM 0 HB2 PRO A 103 11.539 10.233 -18.619 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.002 9.268 -18.650 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.025 11.223 -20.666 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.646 10.595 -20.448 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.741 9.781 -22.433 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.320 9.077 -22.144 1.00 0.00 H new ATOM 1573 N GLY A 104 9.389 9.070 -18.463 1.00 0.00 N ATOM 1574 CA GLY A 104 7.984 9.350 -18.225 1.00 0.00 C ATOM 1575 C GLY A 104 7.781 10.642 -17.442 1.00 0.00 C ATOM 1576 O GLY A 104 8.755 11.250 -16.987 1.00 0.00 O ATOM 0 H GLY A 104 10.001 9.317 -17.685 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.462 9.419 -19.179 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.537 8.520 -17.677 1.00 0.00 H new ATOM 1580 N PRO A 105 6.522 11.076 -17.306 1.00 0.00 N ATOM 1581 CA PRO A 105 6.198 12.276 -16.566 1.00 0.00 C ATOM 1582 C PRO A 105 6.326 12.033 -15.078 1.00 0.00 C ATOM 1583 O PRO A 105 6.953 12.833 -14.387 1.00 0.00 O ATOM 1584 CB PRO A 105 4.778 12.640 -16.987 1.00 0.00 C ATOM 1585 CG PRO A 105 4.176 11.368 -17.597 1.00 0.00 C ATOM 1586 CD PRO A 105 5.342 10.415 -17.841 1.00 0.00 C ATOM 0 HA PRO A 105 6.880 13.099 -16.780 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.192 12.977 -16.132 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.783 13.455 -17.711 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.445 10.922 -16.923 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.656 11.592 -18.528 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.173 9.458 -17.347 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.460 10.208 -18.905 1.00 0.00 H new ATOM 1594 N ALA A 106 5.694 10.964 -14.584 1.00 0.00 N ATOM 1595 CA ALA A 106 5.721 10.628 -13.174 1.00 0.00 C ATOM 1596 C ALA A 106 7.139 10.368 -12.736 1.00 0.00 C ATOM 1597 O ALA A 106 7.897 9.689 -13.439 1.00 0.00 O ATOM 1598 CB ALA A 106 4.893 9.401 -12.943 1.00 0.00 C ATOM 0 H ALA A 106 5.153 10.315 -15.156 1.00 0.00 H new ATOM 0 HA ALA A 106 5.316 11.459 -12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.910 9.144 -11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.866 9.592 -13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.300 8.573 -13.524 1.00 0.00 H new ATOM 1604 N ARG A 107 7.488 10.922 -11.581 1.00 0.00 N ATOM 1605 CA ARG A 107 8.815 10.788 -11.026 1.00 0.00 C ATOM 1606 C ARG A 107 8.767 10.866 -9.519 1.00 0.00 C ATOM 1607 O ARG A 107 7.909 11.571 -8.998 1.00 0.00 O ATOM 1608 CB ARG A 107 9.729 11.888 -11.582 1.00 0.00 C ATOM 1609 CG ARG A 107 10.127 11.578 -13.024 1.00 0.00 C ATOM 1610 CD ARG A 107 11.539 12.051 -13.364 1.00 0.00 C ATOM 1611 NE ARG A 107 11.461 13.229 -14.220 1.00 0.00 N ATOM 1612 CZ ARG A 107 11.222 13.181 -15.517 1.00 0.00 C ATOM 1613 NH1 ARG A 107 11.151 12.050 -16.154 1.00 0.00 N ATOM 1614 NH2 ARG A 107 11.111 14.293 -16.183 1.00 0.00 N ATOM 0 H ARG A 107 6.852 11.476 -11.007 1.00 0.00 H new ATOM 0 HA ARG A 107 9.216 9.815 -11.310 1.00 0.00 H new ATOM 0 HB2 ARG A 107 9.218 12.850 -11.539 1.00 0.00 H new ATOM 0 HB3 ARG A 107 10.622 11.974 -10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 107 10.059 10.503 -13.192 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.417 12.052 -13.702 1.00 0.00 H new ATOM 0 HD2 ARG A 107 12.085 12.287 -12.451 1.00 0.00 H new ATOM 0 HD3 ARG A 107 12.089 11.257 -13.869 1.00 0.00 H new ATOM 0 HE ARG A 107 11.599 14.144 -13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.281 11.172 -15.651 1.00 0.00 H new ATOM 0 HH12 ARG A 107 10.965 12.040 -17.157 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.209 15.187 -15.702 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.926 14.271 -17.186 1.00 0.00 H new ATOM 1628 N VAL A 108 9.669 10.159 -8.844 1.00 0.00 N ATOM 1629 CA VAL A 108 9.759 10.164 -7.379 1.00 0.00 C ATOM 1630 C VAL A 108 10.653 11.287 -6.879 1.00 0.00 C ATOM 1631 O VAL A 108 11.822 11.368 -7.236 1.00 0.00 O ATOM 1632 CB VAL A 108 10.259 8.810 -6.874 1.00 0.00 C ATOM 1633 CG1 VAL A 108 11.700 8.522 -7.313 1.00 0.00 C ATOM 1634 CG2 VAL A 108 10.102 8.723 -5.354 1.00 0.00 C ATOM 0 H VAL A 108 10.363 9.563 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 108 8.759 10.340 -6.982 1.00 0.00 H new ATOM 0 HB VAL A 108 9.642 8.035 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.010 7.550 -6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.755 8.517 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.361 9.294 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.461 7.755 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.682 9.516 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.051 8.836 -5.090 1.00 0.00 H new ATOM 1644 N ILE A 109 10.081 12.225 -6.146 1.00 0.00 N ATOM 1645 CA ILE A 109 10.799 13.425 -5.735 1.00 0.00 C ATOM 1646 C ILE A 109 11.065 13.260 -4.266 1.00 0.00 C ATOM 1647 O ILE A 109 10.136 13.053 -3.479 1.00 0.00 O ATOM 1648 CB ILE A 109 10.009 14.689 -6.102 1.00 0.00 C ATOM 1649 CG1 ILE A 109 10.205 15.077 -7.576 1.00 0.00 C ATOM 1650 CG2 ILE A 109 10.439 15.879 -5.263 1.00 0.00 C ATOM 1651 CD1 ILE A 109 9.952 13.890 -8.496 1.00 0.00 C ATOM 0 H ILE A 109 9.116 12.181 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 109 11.748 13.550 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 109 8.963 14.448 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.528 15.891 -7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 109 11.219 15.447 -7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.859 16.756 -5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.269 15.661 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 109 11.499 16.076 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.098 14.195 -9.532 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.647 13.086 -8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.929 13.538 -8.362 1.00 0.00 H new ATOM 1663 N TYR A 110 12.336 13.305 -3.910 1.00 0.00 N ATOM 1664 CA TYR A 110 12.757 13.150 -2.539 1.00 0.00 C ATOM 1665 C TYR A 110 13.907 14.095 -2.247 1.00 0.00 C ATOM 1666 O TYR A 110 14.675 14.475 -3.130 1.00 0.00 O ATOM 1667 CB TYR A 110 13.149 11.689 -2.349 1.00 0.00 C ATOM 1668 CG TYR A 110 14.277 11.257 -3.275 1.00 0.00 C ATOM 1669 CD1 TYR A 110 15.581 11.776 -3.118 1.00 0.00 C ATOM 1670 CD2 TYR A 110 14.028 10.327 -4.302 1.00 0.00 C ATOM 1671 CE1 TYR A 110 16.635 11.362 -3.945 1.00 0.00 C ATOM 1672 CE2 TYR A 110 15.086 9.885 -5.117 1.00 0.00 C ATOM 1673 CZ TYR A 110 16.392 10.354 -4.896 1.00 0.00 C ATOM 1674 OH TYR A 110 17.406 9.805 -5.601 1.00 0.00 O ATOM 0 H TYR A 110 13.102 13.450 -4.567 1.00 0.00 H new ATOM 0 HA TYR A 110 11.959 13.401 -1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 110 13.453 11.531 -1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 110 12.278 11.058 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 110 15.770 12.507 -2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 110 13.027 9.954 -4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 110 17.614 11.808 -3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 110 14.894 9.183 -5.915 1.00 0.00 H new ATOM 0 HH TYR A 110 17.050 9.125 -6.210 1.00 0.00 H new ATOM 1684 N THR A 111 14.006 14.490 -0.991 1.00 0.00 N ATOM 1685 CA THR A 111 15.082 15.371 -0.558 1.00 0.00 C ATOM 1686 C THR A 111 16.342 14.563 -0.334 1.00 0.00 C ATOM 1687 O THR A 111 16.271 13.341 -0.216 1.00 0.00 O ATOM 1688 CB THR A 111 14.635 16.126 0.693 1.00 0.00 C ATOM 1689 OG1 THR A 111 14.809 15.306 1.804 1.00 0.00 O ATOM 1690 CG2 THR A 111 13.139 16.446 0.676 1.00 0.00 C ATOM 0 H THR A 111 13.358 14.217 -0.252 1.00 0.00 H new ATOM 0 HA THR A 111 15.310 16.110 -1.326 1.00 0.00 H new ATOM 0 HB THR A 111 15.223 17.043 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 111 14.526 15.784 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.871 16.983 1.586 1.00 0.00 H new ATOM 0 HG22 THR A 111 12.909 17.065 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.569 15.518 0.621 1.00 0.00 H new ATOM 1698 N TYR A 112 17.484 15.237 -0.273 1.00 0.00 N ATOM 1699 CA TYR A 112 18.757 14.588 -0.039 1.00 0.00 C ATOM 1700 C TYR A 112 19.327 14.975 1.345 1.00 0.00 C ATOM 1701 O TYR A 112 19.062 16.073 1.850 1.00 0.00 O ATOM 1702 CB TYR A 112 19.692 14.914 -1.218 1.00 0.00 C ATOM 1703 CG TYR A 112 21.184 14.819 -0.933 1.00 0.00 C ATOM 1704 CD1 TYR A 112 21.778 15.653 0.022 1.00 0.00 C ATOM 1705 CD2 TYR A 112 21.989 13.868 -1.575 1.00 0.00 C ATOM 1706 CE1 TYR A 112 23.137 15.583 0.326 1.00 0.00 C ATOM 1707 CE2 TYR A 112 23.362 13.764 -1.264 1.00 0.00 C ATOM 1708 CZ TYR A 112 23.940 14.645 -0.324 1.00 0.00 C ATOM 1709 OH TYR A 112 25.237 14.561 0.033 1.00 0.00 O ATOM 0 H TYR A 112 17.548 16.249 -0.385 1.00 0.00 H new ATOM 0 HA TYR A 112 18.642 13.505 -0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 112 19.456 14.239 -2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 112 19.472 15.925 -1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 112 21.163 16.374 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 112 21.555 13.210 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 112 23.565 16.250 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 112 23.970 13.011 -1.744 1.00 0.00 H new ATOM 0 HH TYR A 112 25.678 13.866 -0.499 1.00 0.00 H new ATOM 1719 N PRO A 113 20.180 14.101 1.919 1.00 0.00 N ATOM 1720 CA PRO A 113 20.479 12.788 1.366 1.00 0.00 C ATOM 1721 C PRO A 113 19.326 11.850 1.583 1.00 0.00 C ATOM 1722 O PRO A 113 18.890 11.188 0.642 1.00 0.00 O ATOM 1723 CB PRO A 113 21.744 12.290 2.028 1.00 0.00 C ATOM 1724 CG PRO A 113 21.905 13.161 3.279 1.00 0.00 C ATOM 1725 CD PRO A 113 20.960 14.363 3.114 1.00 0.00 C ATOM 0 HA PRO A 113 20.632 12.846 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 113 21.664 11.235 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.603 12.390 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 113 21.657 12.596 4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.937 13.494 3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.314 14.473 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.523 15.291 3.016 1.00 0.00 H new ATOM 1733 N ASN A 114 18.857 11.769 2.830 1.00 0.00 N ATOM 1734 CA ASN A 114 17.722 10.945 3.204 1.00 0.00 C ATOM 1735 C ASN A 114 16.619 11.148 2.181 1.00 0.00 C ATOM 1736 O ASN A 114 16.069 12.234 2.126 1.00 0.00 O ATOM 1737 CB ASN A 114 17.188 11.352 4.582 1.00 0.00 C ATOM 1738 CG ASN A 114 16.138 10.371 5.075 1.00 0.00 C ATOM 1739 OD1 ASN A 114 15.331 9.819 4.346 1.00 0.00 O ATOM 1740 ND2 ASN A 114 16.187 10.080 6.344 1.00 0.00 N ATOM 0 H ASN A 114 19.264 12.282 3.612 1.00 0.00 H new ATOM 0 HA ASN A 114 18.038 9.902 3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 114 18.011 11.397 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 114 16.758 12.352 4.528 1.00 0.00 H new ATOM 0 HD21 ASN A 114 15.548 9.387 6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 114 16.864 10.545 6.948 1.00 0.00 H new ATOM 1747 N LYS A 115 16.342 10.136 1.359 1.00 0.00 N ATOM 1748 CA LYS A 115 15.306 10.186 0.338 1.00 0.00 C ATOM 1749 C LYS A 115 13.955 10.277 1.011 1.00 0.00 C ATOM 1750 O LYS A 115 13.245 9.280 1.128 1.00 0.00 O ATOM 1751 CB LYS A 115 15.394 8.951 -0.569 1.00 0.00 C ATOM 1752 CG LYS A 115 16.301 9.225 -1.758 1.00 0.00 C ATOM 1753 CD LYS A 115 17.362 8.183 -2.022 1.00 0.00 C ATOM 1754 CE LYS A 115 18.364 8.217 -0.870 1.00 0.00 C ATOM 1755 NZ LYS A 115 18.032 7.197 0.141 1.00 0.00 N ATOM 0 H LYS A 115 16.841 9.247 1.387 1.00 0.00 H new ATOM 0 HA LYS A 115 15.446 11.066 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.776 8.102 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.398 8.678 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.682 9.322 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.791 10.186 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.911 7.194 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.864 8.384 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.370 8.044 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.363 9.205 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.835 7.661 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.192 6.665 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.834 6.544 0.252 1.00 0.00 H new ATOM 1769 N VAL A 116 13.637 11.470 1.499 1.00 0.00 N ATOM 1770 CA VAL A 116 12.428 11.753 2.249 1.00 0.00 C ATOM 1771 C VAL A 116 11.299 11.783 1.240 1.00 0.00 C ATOM 1772 O VAL A 116 10.846 12.859 0.862 1.00 0.00 O ATOM 1773 CB VAL A 116 12.521 13.095 3.000 1.00 0.00 C ATOM 1774 CG1 VAL A 116 11.248 13.348 3.822 1.00 0.00 C ATOM 1775 CG2 VAL A 116 13.736 13.133 3.929 1.00 0.00 C ATOM 0 H VAL A 116 14.233 12.289 1.378 1.00 0.00 H new ATOM 0 HA VAL A 116 12.266 10.991 3.011 1.00 0.00 H new ATOM 0 HB VAL A 116 12.630 13.877 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.335 14.301 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.385 13.376 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.119 12.546 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 116 13.771 14.094 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.658 12.331 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 116 14.646 13.001 3.344 1.00 0.00 H new ATOM 1785 N PHE A 117 10.932 10.602 0.741 1.00 0.00 N ATOM 1786 CA PHE A 117 9.911 10.363 -0.254 1.00 0.00 C ATOM 1787 C PHE A 117 8.789 11.374 -0.073 1.00 0.00 C ATOM 1788 O PHE A 117 8.028 11.318 0.904 1.00 0.00 O ATOM 1789 CB PHE A 117 9.400 8.935 -0.071 1.00 0.00 C ATOM 1790 CG PHE A 117 8.189 8.643 -0.915 1.00 0.00 C ATOM 1791 CD1 PHE A 117 8.320 8.562 -2.310 1.00 0.00 C ATOM 1792 CD2 PHE A 117 6.931 8.508 -0.303 1.00 0.00 C ATOM 1793 CE1 PHE A 117 7.186 8.352 -3.102 1.00 0.00 C ATOM 1794 CE2 PHE A 117 5.802 8.262 -1.089 1.00 0.00 C ATOM 1795 CZ PHE A 117 5.935 8.215 -2.483 1.00 0.00 C ATOM 0 H PHE A 117 11.375 9.736 1.048 1.00 0.00 H new ATOM 0 HA PHE A 117 10.309 10.477 -1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 117 10.194 8.233 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 117 9.155 8.772 0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 117 9.292 8.661 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.837 8.594 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 117 7.273 8.296 -4.177 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.838 8.110 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.056 8.070 -3.093 1.00 0.00 H new ATOM 1805 N CYS A 118 8.749 12.356 -0.967 1.00 0.00 N ATOM 1806 CA CYS A 118 7.761 13.400 -0.868 1.00 0.00 C ATOM 1807 C CYS A 118 6.489 12.915 -1.538 1.00 0.00 C ATOM 1808 O CYS A 118 5.396 13.073 -0.998 1.00 0.00 O ATOM 1809 CB CYS A 118 8.275 14.690 -1.496 1.00 0.00 C ATOM 1810 SG CYS A 118 9.947 15.152 -1.023 1.00 0.00 S ATOM 0 H CYS A 118 9.387 12.443 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 118 7.552 13.624 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.235 14.589 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 118 7.600 15.502 -1.226 1.00 0.00 H new ATOM 1815 N GLY A 119 6.646 12.312 -2.714 1.00 0.00 N ATOM 1816 CA GLY A 119 5.545 11.786 -3.480 1.00 0.00 C ATOM 1817 C GLY A 119 5.944 11.646 -4.929 1.00 0.00 C ATOM 1818 O GLY A 119 7.102 11.385 -5.250 1.00 0.00 O ATOM 0 H GLY A 119 7.555 12.179 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.244 10.817 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.683 12.447 -3.394 1.00 0.00 H new ATOM 1822 N ILE A 120 4.970 11.758 -5.821 1.00 0.00 N ATOM 1823 CA ILE A 120 5.227 11.564 -7.243 1.00 0.00 C ATOM 1824 C ILE A 120 4.691 12.775 -7.956 1.00 0.00 C ATOM 1825 O ILE A 120 3.597 13.210 -7.656 1.00 0.00 O ATOM 1826 CB ILE A 120 4.584 10.262 -7.742 1.00 0.00 C ATOM 1827 CG1 ILE A 120 4.799 9.098 -6.748 1.00 0.00 C ATOM 1828 CG2 ILE A 120 5.105 9.921 -9.151 1.00 0.00 C ATOM 1829 CD1 ILE A 120 5.867 8.104 -7.146 1.00 0.00 C ATOM 0 H ILE A 120 4.002 11.980 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 120 6.294 11.463 -7.441 1.00 0.00 H new ATOM 0 HB ILE A 120 3.507 10.414 -7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 120 5.057 9.515 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.856 8.565 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 120 4.643 8.996 -9.496 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.854 10.730 -9.837 1.00 0.00 H new ATOM 0 HG23 ILE A 120 6.187 9.796 -9.118 1.00 0.00 H new ATOM 0 HD11 ILE A 120 5.942 7.327 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 120 5.605 7.652 -8.103 1.00 0.00 H new ATOM 0 HD13 ILE A 120 6.825 8.616 -7.237 1.00 0.00 H new ATOM 1841 N ILE A 121 5.467 13.342 -8.861 1.00 0.00 N ATOM 1842 CA ILE A 121 5.052 14.557 -9.562 1.00 0.00 C ATOM 1843 C ILE A 121 5.003 14.243 -11.038 1.00 0.00 C ATOM 1844 O ILE A 121 5.707 13.346 -11.496 1.00 0.00 O ATOM 1845 CB ILE A 121 5.987 15.736 -9.239 1.00 0.00 C ATOM 1846 CG1 ILE A 121 7.288 15.673 -10.052 1.00 0.00 C ATOM 1847 CG2 ILE A 121 6.294 15.810 -7.727 1.00 0.00 C ATOM 1848 CD1 ILE A 121 8.051 16.989 -9.980 1.00 0.00 C ATOM 0 H ILE A 121 6.385 12.988 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 121 4.063 14.871 -9.230 1.00 0.00 H new ATOM 0 HB ILE A 121 5.461 16.646 -9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 121 7.916 14.865 -9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.058 15.440 -11.092 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.957 16.653 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 121 5.365 15.943 -7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 121 6.778 14.887 -7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 121 8.967 16.911 -10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.431 17.791 -10.380 1.00 0.00 H new ATOM 0 HD13 ILE A 121 8.302 17.208 -8.942 1.00 0.00 H new ATOM 1860 N ALA A 122 4.204 14.981 -11.792 1.00 0.00 N ATOM 1861 CA ALA A 122 4.097 14.790 -13.227 1.00 0.00 C ATOM 1862 C ALA A 122 3.181 15.840 -13.830 1.00 0.00 C ATOM 1863 O ALA A 122 2.297 16.363 -13.159 1.00 0.00 O ATOM 1864 CB ALA A 122 3.519 13.404 -13.488 1.00 0.00 C ATOM 0 H ALA A 122 3.613 15.728 -11.426 1.00 0.00 H new ATOM 0 HA ALA A 122 5.083 14.883 -13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 122 3.431 13.243 -14.562 1.00 0.00 H new ATOM 0 HB2 ALA A 122 4.178 12.648 -13.060 1.00 0.00 H new ATOM 0 HB3 ALA A 122 2.534 13.328 -13.028 1.00 0.00 H new ATOM 1870 N HIS A 123 3.384 16.150 -15.103 1.00 0.00 N ATOM 1871 CA HIS A 123 2.619 17.184 -15.775 1.00 0.00 C ATOM 1872 C HIS A 123 1.390 16.549 -16.398 1.00 0.00 C ATOM 1873 O HIS A 123 1.488 15.979 -17.476 1.00 0.00 O ATOM 1874 CB HIS A 123 3.493 17.923 -16.813 1.00 0.00 C ATOM 1875 CG HIS A 123 4.915 18.206 -16.380 1.00 0.00 C ATOM 1876 ND1 HIS A 123 5.924 17.290 -16.224 1.00 0.00 N flip ATOM 1877 CD2 HIS A 123 5.397 19.453 -16.029 1.00 0.00 C flip ATOM 1878 CE1 HIS A 123 7.021 17.986 -15.759 1.00 0.00 C flip ATOM 1879 NE2 HIS A 123 6.686 19.293 -15.664 1.00 0.00 N flip ATOM 0 H HIS A 123 4.079 15.694 -15.693 1.00 0.00 H new ATOM 0 HA HIS A 123 2.292 17.938 -15.059 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.521 17.330 -17.727 1.00 0.00 H new ATOM 0 HB3 HIS A 123 3.011 18.869 -17.061 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.845 20.381 -16.044 1.00 0.00 H new ATOM 0 HE1 HIS A 123 7.982 17.560 -15.513 1.00 0.00 H new ATOM 0 HE2 HIS A 123 7.311 20.041 -15.363 1.00 0.00 H new ATOM 1888 N THR A 124 0.251 16.627 -15.720 1.00 0.00 N ATOM 1889 CA THR A 124 -1.010 16.059 -16.221 1.00 0.00 C ATOM 1890 C THR A 124 -1.873 17.125 -16.904 1.00 0.00 C ATOM 1891 O THR A 124 -3.080 17.231 -16.718 1.00 0.00 O ATOM 1892 CB THR A 124 -1.723 15.313 -15.091 1.00 0.00 C ATOM 1893 OG1 THR A 124 -2.573 14.363 -15.673 1.00 0.00 O ATOM 1894 CG2 THR A 124 -2.567 16.235 -14.213 1.00 0.00 C ATOM 0 H THR A 124 0.168 17.082 -14.811 1.00 0.00 H new ATOM 0 HA THR A 124 -0.798 15.327 -17.001 1.00 0.00 H new ATOM 0 HB THR A 124 -0.962 14.860 -14.456 1.00 0.00 H new ATOM 0 HG1 THR A 124 -3.042 13.869 -14.969 1.00 0.00 H new ATOM 0 HG21 THR A 124 -3.049 15.650 -13.429 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.927 16.992 -13.760 1.00 0.00 H new ATOM 0 HG23 THR A 124 -3.328 16.721 -14.823 1.00 0.00 H new ATOM 1902 N LYS A 125 -1.212 17.984 -17.670 1.00 0.00 N ATOM 1903 CA LYS A 125 -1.919 19.024 -18.407 1.00 0.00 C ATOM 1904 C LYS A 125 -2.000 18.688 -19.885 1.00 0.00 C ATOM 1905 O LYS A 125 -2.916 19.141 -20.550 1.00 0.00 O ATOM 1906 CB LYS A 125 -1.257 20.364 -18.105 1.00 0.00 C ATOM 1907 CG LYS A 125 -1.863 21.476 -18.968 1.00 0.00 C ATOM 1908 CD LYS A 125 -1.758 22.826 -18.267 1.00 0.00 C ATOM 1909 CE LYS A 125 -2.183 23.951 -19.214 1.00 0.00 C ATOM 1910 NZ LYS A 125 -1.019 24.779 -19.596 1.00 0.00 N ATOM 0 H LYS A 125 -0.200 17.982 -17.797 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.958 19.091 -18.083 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.382 20.607 -17.050 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.185 20.296 -18.291 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.348 21.519 -19.928 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.909 21.251 -19.177 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.389 22.832 -17.378 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.734 22.991 -17.932 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.643 23.527 -20.107 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.936 24.574 -18.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.328 25.536 -20.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.597 25.199 -18.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.313 24.185 -20.075 1.00 0.00 H new ATOM 1924 N GLU A 126 -1.036 17.913 -20.378 1.00 0.00 N ATOM 1925 CA GLU A 126 -1.015 17.485 -21.772 1.00 0.00 C ATOM 1926 C GLU A 126 0.099 16.473 -21.995 1.00 0.00 C ATOM 1927 O GLU A 126 -0.160 15.295 -22.179 1.00 0.00 O ATOM 1928 CB GLU A 126 -0.843 18.717 -22.676 1.00 0.00 C ATOM 1929 CG GLU A 126 -1.973 18.790 -23.704 1.00 0.00 C ATOM 1930 CD GLU A 126 -1.527 18.183 -25.034 1.00 0.00 C ATOM 1931 OE1 GLU A 126 -0.570 18.750 -25.610 1.00 0.00 O ATOM 1932 OE2 GLU A 126 -2.120 17.162 -25.435 1.00 0.00 O ATOM 0 H GLU A 126 -0.252 17.567 -19.825 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.957 16.997 -22.023 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.837 19.622 -22.069 1.00 0.00 H new ATOM 0 HB3 GLU A 126 0.119 18.669 -23.187 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -2.848 18.258 -23.330 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -2.271 19.828 -23.853 1.00 0.00 H new ATOM 1939 N ASN A 127 1.347 16.930 -21.863 1.00 0.00 N ATOM 1940 CA ASN A 127 2.532 16.102 -22.030 1.00 0.00 C ATOM 1941 C ASN A 127 3.713 16.685 -21.259 1.00 0.00 C ATOM 1942 O ASN A 127 4.442 15.991 -20.552 1.00 0.00 O ATOM 1943 CB ASN A 127 2.875 16.014 -23.533 1.00 0.00 C ATOM 1944 CG ASN A 127 2.794 14.596 -24.073 1.00 0.00 C ATOM 1945 OD1 ASN A 127 2.217 13.685 -23.510 1.00 0.00 O ATOM 1946 ND2 ASN A 127 3.466 14.359 -25.171 1.00 0.00 N ATOM 0 H ASN A 127 1.560 17.901 -21.634 1.00 0.00 H new ATOM 0 HA ASN A 127 2.330 15.106 -21.636 1.00 0.00 H new ATOM 0 HB2 ASN A 127 2.192 16.651 -24.095 1.00 0.00 H new ATOM 0 HB3 ASN A 127 3.880 16.403 -23.695 1.00 0.00 H new ATOM 0 HD21 ASN A 127 3.504 13.413 -25.551 1.00 0.00 H new ATOM 0 HD22 ASN A 127 3.951 15.120 -25.646 1.00 0.00 H new ATOM 1953 N GLN A 128 3.880 18.004 -21.371 1.00 0.00 N ATOM 1954 CA GLN A 128 4.935 18.745 -20.723 1.00 0.00 C ATOM 1955 C GLN A 128 4.500 20.204 -20.549 1.00 0.00 C ATOM 1956 O GLN A 128 4.874 21.087 -21.310 1.00 0.00 O ATOM 1957 CB GLN A 128 6.246 18.572 -21.511 1.00 0.00 C ATOM 1958 CG GLN A 128 7.259 19.670 -21.156 1.00 0.00 C ATOM 1959 CD GLN A 128 8.678 19.169 -21.149 1.00 0.00 C ATOM 1960 OE1 GLN A 128 9.234 18.716 -22.127 1.00 0.00 O ATOM 1961 NE2 GLN A 128 9.299 19.238 -19.992 1.00 0.00 N ATOM 0 H GLN A 128 3.263 18.591 -21.932 1.00 0.00 H new ATOM 0 HA GLN A 128 5.128 18.360 -19.722 1.00 0.00 H new ATOM 0 HB2 GLN A 128 6.676 17.594 -21.295 1.00 0.00 H new ATOM 0 HB3 GLN A 128 6.036 18.599 -22.580 1.00 0.00 H new ATOM 0 HG2 GLN A 128 7.170 20.487 -21.872 1.00 0.00 H new ATOM 0 HG3 GLN A 128 7.017 20.079 -20.175 1.00 0.00 H new ATOM 0 HE21 GLN A 128 8.819 19.621 -19.178 1.00 0.00 H new ATOM 0 HE22 GLN A 128 10.261 18.908 -19.909 1.00 0.00 H new ATOM 1970 N GLY A 129 3.686 20.462 -19.530 1.00 0.00 N ATOM 1971 CA GLY A 129 3.271 21.829 -19.239 1.00 0.00 C ATOM 1972 C GLY A 129 3.484 22.142 -17.772 1.00 0.00 C ATOM 1973 O GLY A 129 4.612 22.266 -17.292 1.00 0.00 O ATOM 0 H GLY A 129 3.306 19.755 -18.901 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.839 22.527 -19.853 1.00 0.00 H new ATOM 0 HA3 GLY A 129 2.220 21.960 -19.497 1.00 0.00 H new ATOM 1977 N GLU A 130 2.387 22.186 -17.030 1.00 0.00 N ATOM 1978 CA GLU A 130 2.444 22.471 -15.604 1.00 0.00 C ATOM 1979 C GLU A 130 2.748 21.219 -14.802 1.00 0.00 C ATOM 1980 O GLU A 130 2.302 20.133 -15.159 1.00 0.00 O ATOM 1981 CB GLU A 130 1.119 23.069 -15.143 1.00 0.00 C ATOM 1982 CG GLU A 130 1.330 24.544 -14.793 1.00 0.00 C ATOM 1983 CD GLU A 130 0.206 25.061 -13.900 1.00 0.00 C ATOM 1984 OE1 GLU A 130 -0.139 24.325 -12.952 1.00 0.00 O ATOM 1985 OE2 GLU A 130 -0.290 26.159 -14.218 1.00 0.00 O ATOM 0 H GLU A 130 1.447 22.028 -17.392 1.00 0.00 H new ATOM 0 HA GLU A 130 3.249 23.186 -15.434 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.369 22.972 -15.928 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.743 22.527 -14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.287 24.668 -14.287 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.374 25.136 -15.707 1.00 0.00 H new ATOM 1992 N LEU A 131 3.531 21.354 -13.736 1.00 0.00 N ATOM 1993 CA LEU A 131 3.841 20.227 -12.868 1.00 0.00 C ATOM 1994 C LEU A 131 2.963 20.235 -11.628 1.00 0.00 C ATOM 1995 O LEU A 131 2.642 21.286 -11.097 1.00 0.00 O ATOM 1996 CB LEU A 131 5.337 20.285 -12.534 1.00 0.00 C ATOM 1997 CG LEU A 131 5.961 18.954 -12.092 1.00 0.00 C ATOM 1998 CD1 LEU A 131 5.442 17.763 -12.886 1.00 0.00 C ATOM 1999 CD2 LEU A 131 7.482 19.043 -12.238 1.00 0.00 C ATOM 0 H LEU A 131 3.962 22.234 -13.454 1.00 0.00 H new ATOM 0 HA LEU A 131 3.628 19.285 -13.373 1.00 0.00 H new ATOM 0 HB2 LEU A 131 5.875 20.646 -13.411 1.00 0.00 H new ATOM 0 HB3 LEU A 131 5.488 21.019 -11.742 1.00 0.00 H new ATOM 0 HG LEU A 131 5.678 18.790 -11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.920 16.851 -12.528 1.00 0.00 H new ATOM 0 HD12 LEU A 131 4.363 17.682 -12.757 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.672 17.902 -13.942 1.00 0.00 H new ATOM 0 HD21 LEU A 131 7.933 18.101 -11.926 1.00 0.00 H new ATOM 0 HD22 LEU A 131 7.737 19.240 -13.279 1.00 0.00 H new ATOM 0 HD23 LEU A 131 7.861 19.852 -11.613 1.00 0.00 H new ATOM 2011 N LYS A 132 2.613 19.049 -11.152 1.00 0.00 N ATOM 2012 CA LYS A 132 1.771 18.884 -9.975 1.00 0.00 C ATOM 2013 C LYS A 132 2.087 17.561 -9.310 1.00 0.00 C ATOM 2014 O LYS A 132 2.831 16.755 -9.874 1.00 0.00 O ATOM 2015 CB LYS A 132 0.299 19.008 -10.373 1.00 0.00 C ATOM 2016 CG LYS A 132 -0.054 18.201 -11.632 1.00 0.00 C ATOM 2017 CD LYS A 132 -1.309 17.361 -11.417 1.00 0.00 C ATOM 2018 CE LYS A 132 -0.961 15.858 -11.409 1.00 0.00 C ATOM 2019 NZ LYS A 132 -2.080 15.077 -10.833 1.00 0.00 N ATOM 0 H LYS A 132 2.907 18.168 -11.574 1.00 0.00 H new ATOM 0 HA LYS A 132 1.974 19.670 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -0.325 18.670 -9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 132 0.062 20.058 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -0.207 18.880 -12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 132 0.780 17.551 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -1.780 17.636 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -2.032 17.568 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -0.756 15.519 -12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -0.054 15.690 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -2.162 14.168 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -1.898 14.903 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -2.966 15.611 -10.938 1.00 0.00 H new ATOM 2033 N LEU A 133 1.512 17.340 -8.134 1.00 0.00 N ATOM 2034 CA LEU A 133 1.683 16.093 -7.402 1.00 0.00 C ATOM 2035 C LEU A 133 0.655 15.070 -7.894 1.00 0.00 C ATOM 2036 O LEU A 133 -0.493 15.409 -8.231 1.00 0.00 O ATOM 2037 CB LEU A 133 1.582 16.385 -5.895 1.00 0.00 C ATOM 2038 CG LEU A 133 2.183 15.295 -4.984 1.00 0.00 C ATOM 2039 CD1 LEU A 133 3.705 15.189 -5.156 1.00 0.00 C ATOM 2040 CD2 LEU A 133 1.851 15.597 -3.521 1.00 0.00 C ATOM 0 H LEU A 133 0.915 18.020 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 133 2.666 15.658 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 133 2.084 17.330 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.532 16.518 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 133 1.743 14.341 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.092 14.411 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.938 14.938 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.167 16.143 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 133 2.279 14.823 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.268 16.566 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 133 0.769 15.618 -3.390 1.00 0.00 H new ATOM 2052 N CYS A 134 1.114 13.827 -8.000 1.00 0.00 N ATOM 2053 CA CYS A 134 0.276 12.703 -8.366 1.00 0.00 C ATOM 2054 C CYS A 134 -0.712 12.408 -7.242 1.00 0.00 C ATOM 2055 O CYS A 134 -0.732 13.078 -6.212 1.00 0.00 O ATOM 2056 CB CYS A 134 1.152 11.490 -8.676 1.00 0.00 C ATOM 2057 SG CYS A 134 2.364 11.892 -9.973 1.00 0.00 S ATOM 0 H CYS A 134 2.088 13.575 -7.832 1.00 0.00 H new ATOM 0 HA CYS A 134 -0.297 12.944 -9.261 1.00 0.00 H new ATOM 0 HB2 CYS A 134 1.671 11.168 -7.773 1.00 0.00 H new ATOM 0 HB3 CYS A 134 0.528 10.657 -8.999 1.00 0.00 H new ATOM 2062 N SER A 135 -1.518 11.379 -7.439 1.00 0.00 N ATOM 2063 CA SER A 135 -2.518 11.021 -6.447 1.00 0.00 C ATOM 2064 C SER A 135 -2.689 9.527 -6.528 1.00 0.00 C ATOM 2065 O SER A 135 -3.260 9.044 -7.497 1.00 0.00 O ATOM 2066 CB SER A 135 -3.840 11.734 -6.744 1.00 0.00 C ATOM 2067 OG SER A 135 -3.713 13.142 -6.617 1.00 0.00 O ATOM 0 H SER A 135 -1.501 10.783 -8.266 1.00 0.00 H new ATOM 0 HA SER A 135 -2.207 11.322 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 135 -4.169 11.487 -7.754 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.610 11.374 -6.061 1.00 0.00 H new ATOM 0 HG SER A 135 -4.574 13.567 -6.815 1.00 0.00 H new ATOM 2073 N HIS A 136 -2.055 8.810 -5.602 1.00 0.00 N ATOM 2074 CA HIS A 136 -2.222 7.370 -5.445 1.00 0.00 C ATOM 2075 C HIS A 136 -3.640 6.967 -4.999 1.00 0.00 C ATOM 2076 O HIS A 136 -3.752 6.266 -3.973 1.00 0.00 O ATOM 2077 CB HIS A 136 -1.165 6.849 -4.466 1.00 0.00 C ATOM 2078 CG HIS A 136 -1.017 7.603 -3.160 1.00 0.00 C ATOM 2079 ND1 HIS A 136 -0.010 7.379 -2.252 1.00 0.00 N ATOM 2080 CD2 HIS A 136 -1.801 8.605 -2.665 1.00 0.00 C ATOM 2081 CE1 HIS A 136 -0.155 8.247 -1.233 1.00 0.00 C ATOM 2082 NE2 HIS A 136 -1.239 9.012 -1.474 1.00 0.00 N ATOM 2083 OXT HIS A 136 -4.599 7.415 -5.638 1.00 0.00 O ATOM 0 H HIS A 136 -1.403 9.220 -4.933 1.00 0.00 H new ATOM 0 HA HIS A 136 -2.083 6.910 -6.423 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -1.398 5.810 -4.234 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -0.200 6.854 -4.973 1.00 0.00 H new ATOM 0 HD1 HIS A 136 0.723 6.675 -2.336 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -2.695 9.004 -3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 136 0.488 8.318 -0.368 1.00 0.00 H new TER 2092 HIS A 136