USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1047 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 TYR OH : rot 21:sc= 0.738 USER MOD Set 1.2: A 102 THR OG1 : rot -175:sc= 1.05 USER MOD Set 2.1: A 98 ASN : amide:sc= 1.15 K(o=3.1,f=-3.5!) USER MOD Set 2.2: A 100 GLN : amide:sc= 1.21 K(o=3.1,f=0.96) USER MOD Set 2.3: A 119 HIS : no HD1:sc= 0.792 K(o=3.1,f=-5.7!) USER MOD Set 3.1: A 82 SER OG : rot 157:sc= 2.62 USER MOD Set 3.2: A 93 HIS : +bothHN:sc= -0.605 K(o=2.4,f=-6.6!) USER MOD Set 3.3: A 95 GLN : amide:sc= 0.377 K(o=2.4,f=-0.23) USER MOD Set 4.1: A 73 THR OG1 : rot 64:sc= 2.11 USER MOD Set 4.2: A 79 LYS NZ :NH3+ -168:sc= 1.71 (180deg=0.184) USER MOD Set 5.1: A 40 THR OG1 : rot 158:sc= 2.13 USER MOD Set 5.2: A 53 THR OG1 : rot 96:sc= 0.0544 USER MOD Set 5.3: A 128 TYR OH : rot -39:sc= 0.902 USER MOD Set 6.1: A 45 ASN : amide:sc= 0.834 K(o=3.1,f=1.2) USER MOD Set 6.2: A 48 THR OG1 : rot -78:sc= 2.26 USER MOD Set 7.1: A 9 LYS NZ :NH3+ 161:sc= 2.35 (180deg=0.194) USER MOD Set 7.2: A 39 THR OG1 : rot 180:sc= 1.07 USER MOD Set 8.1: A 20 MET CE :methyl 150:sc= -0.0145 (180deg=-0.19) USER MOD Set 8.2: A 31 GLN : amide:sc= 1 K(o=0.99,f=-0.085) USER MOD Single : A 1 VAL N :NH3+ -175:sc= -0.343 (180deg=-0.384) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 13 SER OG : rot 43:sc= 1.31 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.4 K(o=1.4,f=-0.45) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.5 K(o=-0.5,f=-4.4!) USER MOD Single : A 35 MET CE :methyl -173:sc= -0.208 (180deg=-0.296) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0.758 (180deg=0.59) USER MOD Single : A 54 GLN : amide:sc= 1.02 K(o=1,f=-0.35) USER MOD Single : A 55 SER OG : rot 141:sc= -0.372 USER MOD Single : A 56 THR OG1 : rot -70:sc= 0.751 USER MOD Single : A 58 LYS NZ :NH3+ 145:sc= 1.29 (180deg=1.02) USER MOD Single : A 59 ASN : amide:sc= 0.616 K(o=0.62,f=-0.0022) USER MOD Single : A 60 THR OG1 : rot -127:sc= 1.33 USER MOD Single : A 63 SER OG : rot 38:sc= 0.455 USER MOD Single : A 65 LYS NZ :NH3+ -122:sc= 1.15 (180deg=0.285) USER MOD Single : A 74 THR OG1 : rot -82:sc= 1.28 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.18) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.847 (180deg=-0.241!) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= -0.205! (180deg=-0.604!) USER MOD Single : A 103 SER OG : rot -21:sc= 0.385 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 177:sc= 1.12 (180deg=1.05) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 CYS SG : rot 83:sc= 0.335 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0935 USER MOD Single : A 127 THR OG1 : rot -54:sc= 0.893 USER MOD Single : A 130 LYS NZ :NH3+ 174:sc= 2.43 (180deg=2.39) USER MOD Single : A 131 GLN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.413 -12.679 -3.002 1.00 0.00 N ATOM 2 CA VAL A 1 10.400 -11.550 -2.082 1.00 0.00 C ATOM 3 C VAL A 1 11.725 -10.775 -2.124 1.00 0.00 C ATOM 4 O VAL A 1 11.744 -9.559 -1.905 1.00 0.00 O ATOM 5 CB VAL A 1 10.015 -12.041 -0.673 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.007 -13.057 -0.090 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.834 -10.875 0.306 1.00 0.00 C ATOM 0 H1 VAL A 1 9.476 -13.130 -3.012 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.646 -12.345 -3.959 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.126 -13.370 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 1 9.642 -10.832 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 1 9.061 -12.553 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.676 -13.361 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.056 -13.931 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.995 -12.602 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.563 -11.263 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.766 -10.315 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.044 -10.216 -0.055 1.00 0.00 H new ATOM 19 N ASP A 2 12.816 -11.495 -2.409 1.00 0.00 N ATOM 20 CA ASP A 2 14.227 -11.132 -2.309 1.00 0.00 C ATOM 21 C ASP A 2 14.626 -10.088 -3.358 1.00 0.00 C ATOM 22 O ASP A 2 15.501 -10.298 -4.195 1.00 0.00 O ATOM 23 CB ASP A 2 15.068 -12.413 -2.461 1.00 0.00 C ATOM 24 CG ASP A 2 14.539 -13.574 -1.628 1.00 0.00 C ATOM 25 OD1 ASP A 2 13.426 -14.034 -1.980 1.00 0.00 O ATOM 26 OD2 ASP A 2 15.226 -13.951 -0.657 1.00 0.00 O ATOM 0 H ASP A 2 12.716 -12.450 -2.753 1.00 0.00 H new ATOM 0 HA ASP A 2 14.410 -10.676 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.088 -12.706 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.097 -12.203 -2.169 1.00 0.00 H new ATOM 31 N ALA A 3 13.962 -8.939 -3.298 1.00 0.00 N ATOM 32 CA ALA A 3 14.028 -7.859 -4.262 1.00 0.00 C ATOM 33 C ALA A 3 13.261 -6.682 -3.675 1.00 0.00 C ATOM 34 O ALA A 3 13.778 -5.564 -3.611 1.00 0.00 O ATOM 35 CB ALA A 3 13.394 -8.299 -5.588 1.00 0.00 C ATOM 0 H ALA A 3 13.327 -8.729 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 3 15.063 -7.581 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.448 -7.481 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.932 -9.162 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.351 -8.567 -5.421 1.00 0.00 H new ATOM 41 N PHE A 4 12.032 -6.955 -3.230 1.00 0.00 N ATOM 42 CA PHE A 4 11.079 -5.963 -2.767 1.00 0.00 C ATOM 43 C PHE A 4 11.567 -5.309 -1.479 1.00 0.00 C ATOM 44 O PHE A 4 11.434 -4.099 -1.324 1.00 0.00 O ATOM 45 CB PHE A 4 9.709 -6.629 -2.576 1.00 0.00 C ATOM 46 CG PHE A 4 9.234 -7.507 -3.717 1.00 0.00 C ATOM 47 CD1 PHE A 4 9.525 -7.162 -5.050 1.00 0.00 C ATOM 48 CD2 PHE A 4 8.480 -8.663 -3.449 1.00 0.00 C ATOM 49 CE1 PHE A 4 9.109 -7.993 -6.100 1.00 0.00 C ATOM 50 CE2 PHE A 4 8.097 -9.515 -4.499 1.00 0.00 C ATOM 51 CZ PHE A 4 8.406 -9.175 -5.826 1.00 0.00 C ATOM 0 H PHE A 4 11.668 -7.907 -3.184 1.00 0.00 H new ATOM 0 HA PHE A 4 10.982 -5.174 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.743 -7.233 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.967 -5.848 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.070 -6.255 -5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.194 -8.897 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.330 -7.722 -7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.565 -10.431 -4.285 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.103 -9.823 -6.635 1.00 0.00 H new ATOM 61 N VAL A 5 12.140 -6.113 -0.580 1.00 0.00 N ATOM 62 CA VAL A 5 12.689 -5.683 0.701 1.00 0.00 C ATOM 63 C VAL A 5 13.479 -4.374 0.557 1.00 0.00 C ATOM 64 O VAL A 5 14.499 -4.348 -0.138 1.00 0.00 O ATOM 65 CB VAL A 5 13.580 -6.809 1.260 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.194 -6.432 2.613 1.00 0.00 C ATOM 67 CG2 VAL A 5 12.785 -8.106 1.450 1.00 0.00 C ATOM 0 H VAL A 5 12.236 -7.117 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 5 11.872 -5.486 1.396 1.00 0.00 H new ATOM 0 HB VAL A 5 14.373 -6.958 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.815 -7.253 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.806 -5.537 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.398 -6.237 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.442 -8.881 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.967 -7.932 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.380 -8.428 0.491 1.00 0.00 H new ATOM 77 N GLY A 6 13.019 -3.298 1.205 1.00 0.00 N ATOM 78 CA GLY A 6 13.716 -2.025 1.301 1.00 0.00 C ATOM 79 C GLY A 6 12.745 -0.852 1.170 1.00 0.00 C ATOM 80 O GLY A 6 11.739 -0.772 1.879 1.00 0.00 O ATOM 0 H GLY A 6 12.122 -3.296 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.237 -1.964 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.474 -1.962 0.520 1.00 0.00 H new ATOM 84 N THR A 7 13.061 0.100 0.287 1.00 0.00 N ATOM 85 CA THR A 7 12.319 1.346 0.190 1.00 0.00 C ATOM 86 C THR A 7 12.335 1.848 -1.253 1.00 0.00 C ATOM 87 O THR A 7 13.407 2.042 -1.828 1.00 0.00 O ATOM 88 CB THR A 7 12.895 2.364 1.185 1.00 0.00 C ATOM 89 OG1 THR A 7 12.989 1.773 2.463 1.00 0.00 O ATOM 90 CG2 THR A 7 12.002 3.595 1.307 1.00 0.00 C ATOM 0 H THR A 7 13.834 0.023 -0.374 1.00 0.00 H new ATOM 0 HA THR A 7 11.274 1.190 0.458 1.00 0.00 H new ATOM 0 HB THR A 7 13.875 2.665 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.358 2.422 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.441 4.294 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.913 4.078 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.014 3.295 1.655 1.00 0.00 H new ATOM 98 N TRP A 8 11.146 2.022 -1.831 1.00 0.00 N ATOM 99 CA TRP A 8 10.920 2.320 -3.234 1.00 0.00 C ATOM 100 C TRP A 8 10.298 3.701 -3.392 1.00 0.00 C ATOM 101 O TRP A 8 9.306 4.010 -2.728 1.00 0.00 O ATOM 102 CB TRP A 8 10.000 1.259 -3.828 1.00 0.00 C ATOM 103 CG TRP A 8 10.557 -0.127 -3.908 1.00 0.00 C ATOM 104 CD1 TRP A 8 10.547 -1.030 -2.906 1.00 0.00 C ATOM 105 CD2 TRP A 8 11.215 -0.790 -5.029 1.00 0.00 C ATOM 106 NE1 TRP A 8 11.097 -2.211 -3.341 1.00 0.00 N ATOM 107 CE2 TRP A 8 11.541 -2.121 -4.642 1.00 0.00 C ATOM 108 CE3 TRP A 8 11.586 -0.398 -6.331 1.00 0.00 C ATOM 109 CZ2 TRP A 8 12.196 -3.017 -5.501 1.00 0.00 C ATOM 110 CZ3 TRP A 8 12.270 -1.274 -7.193 1.00 0.00 C ATOM 111 CH2 TRP A 8 12.570 -2.582 -6.781 1.00 0.00 C ATOM 0 H TRP A 8 10.276 1.954 -1.302 1.00 0.00 H new ATOM 0 HA TRP A 8 11.874 2.314 -3.761 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.086 1.227 -3.235 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.718 1.574 -4.833 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.164 -0.851 -1.912 1.00 0.00 H new ATOM 0 HE1 TRP A 8 11.168 -3.053 -2.770 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.340 0.596 -6.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 12.409 -4.026 -5.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 12.566 -0.939 -8.176 1.00 0.00 H new ATOM 0 HH2 TRP A 8 13.089 -3.253 -7.449 1.00 0.00 H new ATOM 122 N LYS A 9 10.872 4.524 -4.271 1.00 0.00 N ATOM 123 CA LYS A 9 10.421 5.884 -4.523 1.00 0.00 C ATOM 124 C LYS A 9 9.882 5.986 -5.948 1.00 0.00 C ATOM 125 O LYS A 9 10.399 5.318 -6.846 1.00 0.00 O ATOM 126 CB LYS A 9 11.583 6.848 -4.247 1.00 0.00 C ATOM 127 CG LYS A 9 11.100 8.262 -3.896 1.00 0.00 C ATOM 128 CD LYS A 9 12.221 9.013 -3.163 1.00 0.00 C ATOM 129 CE LYS A 9 11.817 10.420 -2.700 1.00 0.00 C ATOM 130 NZ LYS A 9 10.555 10.432 -1.931 1.00 0.00 N ATOM 0 H LYS A 9 11.678 4.254 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 9 9.602 6.159 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.187 6.459 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.229 6.895 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.819 8.798 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.211 8.210 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.532 8.430 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.086 9.091 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.615 10.838 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.712 11.067 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.492 11.312 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.749 10.375 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.534 9.617 -1.285 1.00 0.00 H new ATOM 144 N LEU A 10 8.802 6.757 -6.131 1.00 0.00 N ATOM 145 CA LEU A 10 8.178 6.940 -7.439 1.00 0.00 C ATOM 146 C LEU A 10 9.205 7.454 -8.446 1.00 0.00 C ATOM 147 O LEU A 10 10.046 8.280 -8.093 1.00 0.00 O ATOM 148 CB LEU A 10 6.988 7.910 -7.325 1.00 0.00 C ATOM 149 CG LEU A 10 6.388 8.359 -8.677 1.00 0.00 C ATOM 150 CD1 LEU A 10 4.869 8.529 -8.589 1.00 0.00 C ATOM 151 CD2 LEU A 10 6.960 9.703 -9.147 1.00 0.00 C ATOM 0 H LEU A 10 8.341 7.267 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 10 7.805 5.979 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.204 7.434 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.309 8.794 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 10 6.649 7.572 -9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.482 8.845 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.412 7.580 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.630 9.283 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.509 9.977 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.738 10.472 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.040 9.616 -9.268 1.00 0.00 H new ATOM 163 N VAL A 11 9.087 7.000 -9.698 1.00 0.00 N ATOM 164 CA VAL A 11 9.819 7.556 -10.827 1.00 0.00 C ATOM 165 C VAL A 11 8.834 7.954 -11.939 1.00 0.00 C ATOM 166 O VAL A 11 8.557 9.144 -12.084 1.00 0.00 O ATOM 167 CB VAL A 11 10.993 6.632 -11.207 1.00 0.00 C ATOM 168 CG1 VAL A 11 10.595 5.197 -11.538 1.00 0.00 C ATOM 169 CG2 VAL A 11 11.786 7.192 -12.384 1.00 0.00 C ATOM 0 H VAL A 11 8.472 6.227 -9.953 1.00 0.00 H new ATOM 0 HA VAL A 11 10.314 8.494 -10.575 1.00 0.00 H new ATOM 0 HB VAL A 11 11.604 6.601 -10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.485 4.622 -11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.107 4.746 -10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.908 5.196 -12.384 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.606 6.515 -12.625 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.131 7.291 -13.250 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.188 8.170 -12.119 1.00 0.00 H new ATOM 179 N ASP A 12 8.258 6.999 -12.678 1.00 0.00 N ATOM 180 CA ASP A 12 7.351 7.268 -13.797 1.00 0.00 C ATOM 181 C ASP A 12 5.915 6.884 -13.416 1.00 0.00 C ATOM 182 O ASP A 12 5.704 5.934 -12.657 1.00 0.00 O ATOM 183 CB ASP A 12 7.774 6.493 -15.062 1.00 0.00 C ATOM 184 CG ASP A 12 9.277 6.492 -15.320 1.00 0.00 C ATOM 185 OD1 ASP A 12 9.796 7.556 -15.711 1.00 0.00 O ATOM 186 OD2 ASP A 12 9.901 5.424 -15.122 1.00 0.00 O ATOM 0 H ASP A 12 8.412 6.004 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 12 7.400 8.335 -14.016 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.431 5.462 -14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.269 6.925 -15.926 1.00 0.00 H new ATOM 191 N SER A 13 4.920 7.578 -13.978 1.00 0.00 N ATOM 192 CA SER A 13 3.503 7.237 -13.932 1.00 0.00 C ATOM 193 C SER A 13 2.765 8.173 -14.892 1.00 0.00 C ATOM 194 O SER A 13 3.399 8.968 -15.583 1.00 0.00 O ATOM 195 CB SER A 13 2.926 7.350 -12.510 1.00 0.00 C ATOM 196 OG SER A 13 1.618 6.795 -12.476 1.00 0.00 O ATOM 0 H SER A 13 5.095 8.435 -14.503 1.00 0.00 H new ATOM 0 HA SER A 13 3.373 6.197 -14.232 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.571 6.828 -11.803 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.896 8.395 -12.202 1.00 0.00 H new ATOM 0 HG SER A 13 1.606 5.955 -12.981 1.00 0.00 H new ATOM 202 N LYS A 14 1.436 8.061 -14.908 1.00 0.00 N ATOM 203 CA LYS A 14 0.469 8.866 -15.644 1.00 0.00 C ATOM 204 C LYS A 14 -0.916 8.278 -15.370 1.00 0.00 C ATOM 205 O LYS A 14 -1.014 7.091 -15.051 1.00 0.00 O ATOM 206 CB LYS A 14 0.774 8.899 -17.152 1.00 0.00 C ATOM 207 CG LYS A 14 0.962 7.506 -17.774 1.00 0.00 C ATOM 208 CD LYS A 14 1.371 7.657 -19.244 1.00 0.00 C ATOM 209 CE LYS A 14 1.634 6.283 -19.877 1.00 0.00 C ATOM 210 NZ LYS A 14 2.096 6.399 -21.276 1.00 0.00 N ATOM 0 H LYS A 14 0.971 7.340 -14.356 1.00 0.00 H new ATOM 0 HA LYS A 14 0.519 9.902 -15.309 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.039 9.411 -17.667 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.677 9.487 -17.319 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.725 6.951 -17.228 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.037 6.934 -17.699 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.584 8.172 -19.795 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.267 8.274 -19.316 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.383 5.751 -19.291 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.721 5.688 -19.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.262 5.450 -21.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.371 6.884 -21.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.981 6.945 -21.305 1.00 0.00 H new ATOM 224 N ASN A 15 -1.978 9.083 -15.470 1.00 0.00 N ATOM 225 CA ASN A 15 -3.351 8.648 -15.221 1.00 0.00 C ATOM 226 C ASN A 15 -3.480 8.137 -13.777 1.00 0.00 C ATOM 227 O ASN A 15 -4.185 7.175 -13.500 1.00 0.00 O ATOM 228 CB ASN A 15 -3.787 7.630 -16.297 1.00 0.00 C ATOM 229 CG ASN A 15 -5.306 7.509 -16.435 1.00 0.00 C ATOM 230 OD1 ASN A 15 -5.873 7.986 -17.412 1.00 0.00 O ATOM 231 ND2 ASN A 15 -5.971 6.891 -15.468 1.00 0.00 N ATOM 0 H ASN A 15 -1.905 10.067 -15.729 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.043 9.486 -15.308 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.364 7.924 -17.258 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.372 6.652 -16.052 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.986 6.801 -15.524 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.468 6.505 -14.669 1.00 0.00 H new ATOM 238 N PHE A 16 -2.744 8.731 -12.837 1.00 0.00 N ATOM 239 CA PHE A 16 -2.797 8.394 -11.414 1.00 0.00 C ATOM 240 C PHE A 16 -3.760 9.383 -10.756 1.00 0.00 C ATOM 241 O PHE A 16 -4.721 9.000 -10.089 1.00 0.00 O ATOM 242 CB PHE A 16 -1.374 8.452 -10.831 1.00 0.00 C ATOM 243 CG PHE A 16 -1.220 7.980 -9.392 1.00 0.00 C ATOM 244 CD1 PHE A 16 -1.591 6.672 -9.026 1.00 0.00 C ATOM 245 CD2 PHE A 16 -0.606 8.815 -8.440 1.00 0.00 C ATOM 246 CE1 PHE A 16 -1.374 6.214 -7.715 1.00 0.00 C ATOM 247 CE2 PHE A 16 -0.408 8.365 -7.123 1.00 0.00 C ATOM 248 CZ PHE A 16 -0.791 7.062 -6.759 1.00 0.00 C ATOM 0 H PHE A 16 -2.080 9.476 -13.048 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.163 7.383 -11.234 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.720 7.849 -11.462 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.019 9.481 -10.895 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.044 6.018 -9.756 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.285 9.807 -8.723 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.656 5.208 -7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.039 9.021 -6.390 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.637 6.714 -5.748 1.00 0.00 H new ATOM 258 N ASP A 17 -3.502 10.659 -11.041 1.00 0.00 N ATOM 259 CA ASP A 17 -4.453 11.754 -11.163 1.00 0.00 C ATOM 260 C ASP A 17 -5.893 11.286 -11.448 1.00 0.00 C ATOM 261 O ASP A 17 -6.729 11.330 -10.543 1.00 0.00 O ATOM 262 CB ASP A 17 -3.910 12.691 -12.257 1.00 0.00 C ATOM 263 CG ASP A 17 -3.432 11.902 -13.471 1.00 0.00 C ATOM 264 OD1 ASP A 17 -2.321 11.327 -13.368 1.00 0.00 O ATOM 265 OD2 ASP A 17 -4.257 11.722 -14.386 1.00 0.00 O ATOM 0 H ASP A 17 -2.546 10.974 -11.205 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.537 12.279 -10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.689 13.392 -12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.086 13.283 -11.857 1.00 0.00 H new ATOM 270 N ASP A 18 -6.203 10.853 -12.675 1.00 0.00 N ATOM 271 CA ASP A 18 -7.516 10.315 -13.022 1.00 0.00 C ATOM 272 C ASP A 18 -7.939 9.225 -12.039 1.00 0.00 C ATOM 273 O ASP A 18 -8.970 9.344 -11.385 1.00 0.00 O ATOM 274 CB ASP A 18 -7.491 9.767 -14.451 1.00 0.00 C ATOM 275 CG ASP A 18 -8.679 8.846 -14.713 1.00 0.00 C ATOM 276 OD1 ASP A 18 -9.808 9.375 -14.750 1.00 0.00 O ATOM 277 OD2 ASP A 18 -8.436 7.622 -14.821 1.00 0.00 O ATOM 0 H ASP A 18 -5.546 10.867 -13.455 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.247 11.121 -12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.506 10.594 -15.160 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.562 9.222 -14.617 1.00 0.00 H new ATOM 282 N TYR A 19 -7.125 8.176 -11.907 1.00 0.00 N ATOM 283 CA TYR A 19 -7.451 7.012 -11.090 1.00 0.00 C ATOM 284 C TYR A 19 -7.988 7.406 -9.710 1.00 0.00 C ATOM 285 O TYR A 19 -9.011 6.894 -9.250 1.00 0.00 O ATOM 286 CB TYR A 19 -6.209 6.127 -10.953 1.00 0.00 C ATOM 287 CG TYR A 19 -6.511 4.648 -10.903 1.00 0.00 C ATOM 288 CD1 TYR A 19 -6.746 4.009 -9.674 1.00 0.00 C ATOM 289 CD2 TYR A 19 -6.497 3.902 -12.094 1.00 0.00 C ATOM 290 CE1 TYR A 19 -6.925 2.616 -9.629 1.00 0.00 C ATOM 291 CE2 TYR A 19 -6.644 2.509 -12.042 1.00 0.00 C ATOM 292 CZ TYR A 19 -6.845 1.870 -10.814 1.00 0.00 C ATOM 293 OH TYR A 19 -6.843 0.517 -10.776 1.00 0.00 O ATOM 0 H TYR A 19 -6.217 8.113 -12.367 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.246 6.458 -11.590 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.542 6.323 -11.792 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.673 6.409 -10.047 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.789 4.589 -8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.374 4.400 -13.045 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.123 2.123 -8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.602 1.928 -12.952 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.223 0.213 -9.925 1.00 0.00 H new ATOM 303 N MET A 20 -7.294 8.325 -9.032 1.00 0.00 N ATOM 304 CA MET A 20 -7.695 8.741 -7.701 1.00 0.00 C ATOM 305 C MET A 20 -9.068 9.430 -7.679 1.00 0.00 C ATOM 306 O MET A 20 -9.768 9.367 -6.665 1.00 0.00 O ATOM 307 CB MET A 20 -6.565 9.513 -7.004 1.00 0.00 C ATOM 308 CG MET A 20 -6.101 10.861 -7.579 1.00 0.00 C ATOM 309 SD MET A 20 -7.339 12.171 -7.818 1.00 0.00 S ATOM 310 CE MET A 20 -6.274 13.633 -7.910 1.00 0.00 C ATOM 0 H MET A 20 -6.458 8.788 -9.387 1.00 0.00 H new ATOM 0 HA MET A 20 -7.854 7.848 -7.097 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.876 9.687 -5.974 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.695 8.857 -6.968 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.325 11.253 -6.921 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.633 10.667 -8.544 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.741 14.384 -8.548 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.133 14.044 -6.910 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.307 13.353 -8.327 1.00 0.00 H new ATOM 320 N LYS A 21 -9.461 10.077 -8.786 1.00 0.00 N ATOM 321 CA LYS A 21 -10.730 10.783 -8.979 1.00 0.00 C ATOM 322 C LYS A 21 -11.881 9.779 -9.182 1.00 0.00 C ATOM 323 O LYS A 21 -12.700 9.923 -10.085 1.00 0.00 O ATOM 324 CB LYS A 21 -10.576 11.720 -10.198 1.00 0.00 C ATOM 325 CG LYS A 21 -11.660 12.801 -10.339 1.00 0.00 C ATOM 326 CD LYS A 21 -11.254 14.130 -9.688 1.00 0.00 C ATOM 327 CE LYS A 21 -12.336 15.190 -9.956 1.00 0.00 C ATOM 328 NZ LYS A 21 -11.936 16.538 -9.500 1.00 0.00 N ATOM 0 H LYS A 21 -8.867 10.122 -9.614 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.975 11.373 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.604 12.210 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.572 11.113 -11.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.868 12.967 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.585 12.445 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.122 13.995 -8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.297 14.464 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.552 15.221 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.258 14.899 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.699 17.214 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.755 16.519 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.072 16.831 -9.999 1.00 0.00 H new ATOM 342 N SER A 22 -11.947 8.758 -8.328 1.00 0.00 N ATOM 343 CA SER A 22 -12.884 7.645 -8.397 1.00 0.00 C ATOM 344 C SER A 22 -12.664 6.801 -7.142 1.00 0.00 C ATOM 345 O SER A 22 -13.596 6.536 -6.388 1.00 0.00 O ATOM 346 CB SER A 22 -12.664 6.830 -9.686 1.00 0.00 C ATOM 347 OG SER A 22 -13.515 5.697 -9.734 1.00 0.00 O ATOM 0 H SER A 22 -11.315 8.684 -7.531 1.00 0.00 H new ATOM 0 HA SER A 22 -13.915 7.997 -8.432 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.849 7.463 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.624 6.508 -9.742 1.00 0.00 H new ATOM 0 HG SER A 22 -13.353 5.201 -10.564 1.00 0.00 H new ATOM 353 N LEU A 23 -11.405 6.428 -6.894 1.00 0.00 N ATOM 354 CA LEU A 23 -11.016 5.696 -5.695 1.00 0.00 C ATOM 355 C LEU A 23 -11.289 6.524 -4.429 1.00 0.00 C ATOM 356 O LEU A 23 -11.663 5.955 -3.406 1.00 0.00 O ATOM 357 CB LEU A 23 -9.543 5.282 -5.807 1.00 0.00 C ATOM 358 CG LEU A 23 -9.258 4.031 -6.665 1.00 0.00 C ATOM 359 CD1 LEU A 23 -9.412 2.760 -5.832 1.00 0.00 C ATOM 360 CD2 LEU A 23 -10.140 3.873 -7.908 1.00 0.00 C ATOM 0 H LEU A 23 -10.628 6.628 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.620 4.793 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.981 6.119 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.158 5.106 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.235 4.179 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.207 1.890 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.709 2.784 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.430 2.699 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.859 2.964 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.185 3.809 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.004 4.734 -8.563 1.00 0.00 H new ATOM 372 N GLY A 24 -11.110 7.854 -4.482 1.00 0.00 N ATOM 373 CA GLY A 24 -11.496 8.761 -3.397 1.00 0.00 C ATOM 374 C GLY A 24 -10.270 9.348 -2.702 1.00 0.00 C ATOM 375 O GLY A 24 -10.176 10.560 -2.519 1.00 0.00 O ATOM 0 H GLY A 24 -10.692 8.328 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.111 9.567 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.106 8.224 -2.671 1.00 0.00 H new ATOM 379 N VAL A 25 -9.294 8.484 -2.399 1.00 0.00 N ATOM 380 CA VAL A 25 -7.950 8.794 -1.898 1.00 0.00 C ATOM 381 C VAL A 25 -7.320 10.058 -2.512 1.00 0.00 C ATOM 382 O VAL A 25 -6.457 10.696 -1.902 1.00 0.00 O ATOM 383 CB VAL A 25 -7.067 7.551 -2.112 1.00 0.00 C ATOM 384 CG1 VAL A 25 -7.008 7.114 -3.582 1.00 0.00 C ATOM 385 CG2 VAL A 25 -5.639 7.769 -1.608 1.00 0.00 C ATOM 0 H VAL A 25 -9.433 7.479 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.030 9.033 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.541 6.760 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.372 6.234 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.012 6.874 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.598 7.923 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.051 6.867 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.187 8.604 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.660 7.992 -0.541 1.00 0.00 H new ATOM 395 N GLY A 26 -7.747 10.400 -3.733 1.00 0.00 N ATOM 396 CA GLY A 26 -7.632 11.715 -4.335 1.00 0.00 C ATOM 397 C GLY A 26 -7.606 12.839 -3.307 1.00 0.00 C ATOM 398 O GLY A 26 -6.585 13.515 -3.170 1.00 0.00 O ATOM 0 H GLY A 26 -8.203 9.728 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.722 11.756 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.469 11.872 -5.016 1.00 0.00 H new ATOM 402 N PHE A 27 -8.733 13.067 -2.632 1.00 0.00 N ATOM 403 CA PHE A 27 -8.862 14.183 -1.703 1.00 0.00 C ATOM 404 C PHE A 27 -8.075 13.896 -0.424 1.00 0.00 C ATOM 405 O PHE A 27 -7.817 12.742 -0.089 1.00 0.00 O ATOM 406 CB PHE A 27 -10.333 14.540 -1.413 1.00 0.00 C ATOM 407 CG PHE A 27 -11.389 13.588 -1.945 1.00 0.00 C ATOM 408 CD1 PHE A 27 -11.827 13.697 -3.278 1.00 0.00 C ATOM 409 CD2 PHE A 27 -11.972 12.631 -1.095 1.00 0.00 C ATOM 410 CE1 PHE A 27 -12.850 12.859 -3.755 1.00 0.00 C ATOM 411 CE2 PHE A 27 -13.000 11.800 -1.570 1.00 0.00 C ATOM 412 CZ PHE A 27 -13.443 11.917 -2.898 1.00 0.00 C ATOM 0 H PHE A 27 -9.570 12.490 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.432 15.066 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -10.457 14.615 -0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -10.530 15.529 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -11.376 14.426 -3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -11.629 12.535 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -13.180 12.939 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -13.450 11.070 -0.913 1.00 0.00 H new ATOM 0 HZ PHE A 27 -14.239 11.283 -3.260 1.00 0.00 H new ATOM 422 N ALA A 28 -7.681 14.961 0.283 1.00 0.00 N ATOM 423 CA ALA A 28 -6.997 14.929 1.573 1.00 0.00 C ATOM 424 C ALA A 28 -5.541 14.459 1.489 1.00 0.00 C ATOM 425 O ALA A 28 -4.654 15.131 2.022 1.00 0.00 O ATOM 426 CB ALA A 28 -7.792 14.131 2.613 1.00 0.00 C ATOM 0 H ALA A 28 -7.840 15.913 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.950 15.965 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.253 14.129 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.770 14.590 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.919 13.106 2.266 1.00 0.00 H new ATOM 432 N THR A 29 -5.293 13.307 0.862 1.00 0.00 N ATOM 433 CA THR A 29 -3.984 12.676 0.788 1.00 0.00 C ATOM 434 C THR A 29 -3.381 12.851 -0.600 1.00 0.00 C ATOM 435 O THR A 29 -2.361 13.526 -0.757 1.00 0.00 O ATOM 436 CB THR A 29 -4.112 11.200 1.197 1.00 0.00 C ATOM 437 OG1 THR A 29 -4.514 11.157 2.550 1.00 0.00 O ATOM 438 CG2 THR A 29 -2.794 10.432 1.063 1.00 0.00 C ATOM 0 H THR A 29 -6.020 12.777 0.381 1.00 0.00 H new ATOM 0 HA THR A 29 -3.297 13.158 1.483 1.00 0.00 H new ATOM 0 HB THR A 29 -4.837 10.729 0.533 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.605 10.224 2.835 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.944 9.396 1.365 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.459 10.463 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.039 10.890 1.702 1.00 0.00 H new ATOM 446 N ARG A 30 -3.968 12.223 -1.621 1.00 0.00 N ATOM 447 CA ARG A 30 -3.251 12.072 -2.877 1.00 0.00 C ATOM 448 C ARG A 30 -3.050 13.409 -3.595 1.00 0.00 C ATOM 449 O ARG A 30 -2.146 13.503 -4.419 1.00 0.00 O ATOM 450 CB ARG A 30 -3.904 10.979 -3.717 1.00 0.00 C ATOM 451 CG ARG A 30 -2.997 10.412 -4.818 1.00 0.00 C ATOM 452 CD ARG A 30 -3.315 8.926 -5.033 1.00 0.00 C ATOM 453 NE ARG A 30 -2.812 8.103 -3.913 1.00 0.00 N ATOM 454 CZ ARG A 30 -3.119 6.812 -3.697 1.00 0.00 C ATOM 455 NH1 ARG A 30 -3.792 6.130 -4.630 1.00 0.00 N ATOM 456 NH2 ARG A 30 -2.761 6.222 -2.549 1.00 0.00 N ATOM 0 H ARG A 30 -4.907 11.825 -1.602 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.234 11.736 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.213 10.166 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.808 11.379 -4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.146 10.964 -5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.950 10.534 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.392 8.793 -5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.866 8.587 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.180 8.551 -3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.068 6.590 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.029 5.150 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.256 6.752 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.994 5.243 -2.385 1.00 0.00 H new ATOM 470 N GLN A 31 -3.816 14.447 -3.224 1.00 0.00 N ATOM 471 CA GLN A 31 -3.508 15.840 -3.551 1.00 0.00 C ATOM 472 C GLN A 31 -2.014 16.148 -3.399 1.00 0.00 C ATOM 473 O GLN A 31 -1.418 16.747 -4.291 1.00 0.00 O ATOM 474 CB GLN A 31 -4.287 16.808 -2.642 1.00 0.00 C ATOM 475 CG GLN A 31 -5.814 16.704 -2.704 1.00 0.00 C ATOM 476 CD GLN A 31 -6.351 16.842 -4.125 1.00 0.00 C ATOM 477 OE1 GLN A 31 -6.621 17.940 -4.595 1.00 0.00 O ATOM 478 NE2 GLN A 31 -6.517 15.726 -4.824 1.00 0.00 N ATOM 0 H GLN A 31 -4.674 14.337 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.802 15.979 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.973 16.640 -1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.001 17.828 -2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.127 15.744 -2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.254 17.479 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.284 14.824 -4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.878 15.770 -5.777 1.00 0.00 H new ATOM 487 N VAL A 32 -1.424 15.777 -2.255 1.00 0.00 N ATOM 488 CA VAL A 32 -0.001 15.981 -2.005 1.00 0.00 C ATOM 489 C VAL A 32 0.772 14.717 -2.384 1.00 0.00 C ATOM 490 O VAL A 32 1.855 14.796 -2.963 1.00 0.00 O ATOM 491 CB VAL A 32 0.247 16.472 -0.563 1.00 0.00 C ATOM 492 CG1 VAL A 32 0.132 15.390 0.518 1.00 0.00 C ATOM 493 CG2 VAL A 32 1.627 17.136 -0.462 1.00 0.00 C ATOM 0 H VAL A 32 -1.921 15.330 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 32 0.380 16.780 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.553 17.185 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.323 15.831 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.871 14.964 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.863 14.604 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.792 17.479 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.398 16.415 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.672 17.987 -1.142 1.00 0.00 H new ATOM 503 N GLY A 33 0.197 13.546 -2.086 1.00 0.00 N ATOM 504 CA GLY A 33 0.809 12.250 -2.337 1.00 0.00 C ATOM 505 C GLY A 33 1.266 12.071 -3.785 1.00 0.00 C ATOM 506 O GLY A 33 2.332 11.510 -4.020 1.00 0.00 O ATOM 0 H GLY A 33 -0.725 13.479 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.665 12.125 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.096 11.464 -2.088 1.00 0.00 H new ATOM 510 N ASN A 34 0.472 12.526 -4.761 1.00 0.00 N ATOM 511 CA ASN A 34 0.839 12.433 -6.174 1.00 0.00 C ATOM 512 C ASN A 34 1.827 13.523 -6.592 1.00 0.00 C ATOM 513 O ASN A 34 2.374 13.453 -7.689 1.00 0.00 O ATOM 514 CB ASN A 34 -0.401 12.426 -7.085 1.00 0.00 C ATOM 515 CG ASN A 34 -1.099 13.776 -7.270 1.00 0.00 C ATOM 516 OD1 ASN A 34 -0.713 14.794 -6.708 1.00 0.00 O ATOM 517 ND2 ASN A 34 -2.145 13.797 -8.091 1.00 0.00 N ATOM 0 H ASN A 34 -0.434 12.964 -4.594 1.00 0.00 H new ATOM 0 HA ASN A 34 1.348 11.477 -6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.106 12.053 -8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.123 11.718 -6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.641 14.671 -8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.451 12.939 -8.549 1.00 0.00 H new ATOM 524 N MET A 35 2.030 14.538 -5.748 1.00 0.00 N ATOM 525 CA MET A 35 2.811 15.715 -6.067 1.00 0.00 C ATOM 526 C MET A 35 4.227 15.509 -5.539 1.00 0.00 C ATOM 527 O MET A 35 5.193 15.492 -6.301 1.00 0.00 O ATOM 528 CB MET A 35 2.115 16.943 -5.449 1.00 0.00 C ATOM 529 CG MET A 35 2.386 18.247 -6.207 1.00 0.00 C ATOM 530 SD MET A 35 1.086 18.748 -7.378 1.00 0.00 S ATOM 531 CE MET A 35 1.182 17.426 -8.611 1.00 0.00 C ATOM 0 H MET A 35 1.643 14.555 -4.804 1.00 0.00 H new ATOM 0 HA MET A 35 2.881 15.883 -7.142 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.040 16.765 -5.421 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.446 17.057 -4.417 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.527 19.048 -5.481 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.324 18.143 -6.753 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.531 17.665 -9.452 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.209 17.331 -8.963 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.864 16.485 -8.161 1.00 0.00 H new ATOM 541 N THR A 36 4.360 15.347 -4.221 1.00 0.00 N ATOM 542 CA THR A 36 5.666 15.271 -3.594 1.00 0.00 C ATOM 543 C THR A 36 6.200 13.837 -3.687 1.00 0.00 C ATOM 544 O THR A 36 6.126 13.057 -2.736 1.00 0.00 O ATOM 545 CB THR A 36 5.649 15.943 -2.209 1.00 0.00 C ATOM 546 OG1 THR A 36 6.963 16.266 -1.805 1.00 0.00 O ATOM 547 CG2 THR A 36 4.994 15.148 -1.088 1.00 0.00 C ATOM 0 H THR A 36 3.576 15.267 -3.574 1.00 0.00 H new ATOM 0 HA THR A 36 6.409 15.860 -4.131 1.00 0.00 H new ATOM 0 HB THR A 36 5.030 16.827 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.938 16.694 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.041 15.720 -0.161 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.952 14.953 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.519 14.202 -0.958 1.00 0.00 H new ATOM 555 N LYS A 37 6.723 13.521 -4.882 1.00 0.00 N ATOM 556 CA LYS A 37 7.538 12.359 -5.249 1.00 0.00 C ATOM 557 C LYS A 37 7.552 11.244 -4.184 1.00 0.00 C ATOM 558 O LYS A 37 8.527 11.119 -3.440 1.00 0.00 O ATOM 559 CB LYS A 37 8.945 12.842 -5.664 1.00 0.00 C ATOM 560 CG LYS A 37 9.675 13.721 -4.629 1.00 0.00 C ATOM 561 CD LYS A 37 10.828 14.530 -5.248 1.00 0.00 C ATOM 562 CE LYS A 37 11.937 13.650 -5.850 1.00 0.00 C ATOM 563 NZ LYS A 37 13.052 14.455 -6.398 1.00 0.00 N ATOM 0 H LYS A 37 6.571 14.129 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 37 7.074 11.872 -6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.563 11.969 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.858 13.403 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.961 14.405 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.067 13.089 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.429 15.181 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.261 15.175 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.320 12.976 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.517 13.028 -6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.776 13.822 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.693 15.080 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.471 15.029 -5.639 1.00 0.00 H new ATOM 577 N PRO A 38 6.477 10.447 -4.076 1.00 0.00 N ATOM 578 CA PRO A 38 6.203 9.641 -2.895 1.00 0.00 C ATOM 579 C PRO A 38 7.205 8.499 -2.697 1.00 0.00 C ATOM 580 O PRO A 38 7.764 7.972 -3.663 1.00 0.00 O ATOM 581 CB PRO A 38 4.763 9.138 -3.060 1.00 0.00 C ATOM 582 CG PRO A 38 4.536 9.192 -4.569 1.00 0.00 C ATOM 583 CD PRO A 38 5.344 10.419 -4.982 1.00 0.00 C ATOM 0 HA PRO A 38 6.314 10.237 -1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.645 8.126 -2.672 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.054 9.769 -2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.889 8.288 -5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.480 9.300 -4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.670 10.345 -6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.750 11.329 -4.899 1.00 0.00 H new ATOM 591 N THR A 39 7.419 8.139 -1.425 1.00 0.00 N ATOM 592 CA THR A 39 8.246 7.026 -0.976 1.00 0.00 C ATOM 593 C THR A 39 7.331 5.861 -0.578 1.00 0.00 C ATOM 594 O THR A 39 6.154 6.062 -0.288 1.00 0.00 O ATOM 595 CB THR A 39 9.101 7.480 0.225 1.00 0.00 C ATOM 596 OG1 THR A 39 9.849 8.645 -0.076 1.00 0.00 O ATOM 597 CG2 THR A 39 10.099 6.413 0.678 1.00 0.00 C ATOM 0 H THR A 39 6.996 8.645 -0.647 1.00 0.00 H new ATOM 0 HA THR A 39 8.913 6.700 -1.774 1.00 0.00 H new ATOM 0 HB THR A 39 8.383 7.674 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.378 8.906 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.673 6.788 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.560 5.513 0.974 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.776 6.177 -0.143 1.00 0.00 H new ATOM 605 N THR A 40 7.878 4.645 -0.555 1.00 0.00 N ATOM 606 CA THR A 40 7.182 3.438 -0.146 1.00 0.00 C ATOM 607 C THR A 40 8.156 2.592 0.665 1.00 0.00 C ATOM 608 O THR A 40 9.187 2.209 0.120 1.00 0.00 O ATOM 609 CB THR A 40 6.702 2.667 -1.389 1.00 0.00 C ATOM 610 OG1 THR A 40 6.472 3.569 -2.442 1.00 0.00 O ATOM 611 CG2 THR A 40 5.425 1.855 -1.160 1.00 0.00 C ATOM 0 H THR A 40 8.845 4.474 -0.829 1.00 0.00 H new ATOM 0 HA THR A 40 6.308 3.682 0.458 1.00 0.00 H new ATOM 0 HB THR A 40 7.495 1.959 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.513 3.091 -3.297 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.151 1.341 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.597 1.122 -0.372 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.617 2.524 -0.864 1.00 0.00 H new ATOM 619 N ILE A 41 7.866 2.296 1.933 1.00 0.00 N ATOM 620 CA ILE A 41 8.647 1.317 2.688 1.00 0.00 C ATOM 621 C ILE A 41 8.029 -0.052 2.415 1.00 0.00 C ATOM 622 O ILE A 41 6.816 -0.203 2.565 1.00 0.00 O ATOM 623 CB ILE A 41 8.682 1.674 4.186 1.00 0.00 C ATOM 624 CG1 ILE A 41 9.498 2.967 4.374 1.00 0.00 C ATOM 625 CG2 ILE A 41 9.296 0.526 5.005 1.00 0.00 C ATOM 626 CD1 ILE A 41 9.473 3.501 5.809 1.00 0.00 C ATOM 0 H ILE A 41 7.099 2.719 2.456 1.00 0.00 H new ATOM 0 HA ILE A 41 9.690 1.312 2.372 1.00 0.00 H new ATOM 0 HB ILE A 41 7.664 1.830 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.531 2.781 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.110 3.733 3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.311 0.799 6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.698 -0.376 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.314 0.340 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.068 4.412 5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.445 3.719 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.889 2.752 6.483 1.00 0.00 H new ATOM 638 N ILE A 42 8.844 -1.021 1.980 1.00 0.00 N ATOM 639 CA ILE A 42 8.427 -2.397 1.750 1.00 0.00 C ATOM 640 C ILE A 42 9.275 -3.271 2.671 1.00 0.00 C ATOM 641 O ILE A 42 10.485 -3.357 2.463 1.00 0.00 O ATOM 642 CB ILE A 42 8.642 -2.817 0.282 1.00 0.00 C ATOM 643 CG1 ILE A 42 7.661 -2.199 -0.728 1.00 0.00 C ATOM 644 CG2 ILE A 42 8.454 -4.338 0.173 1.00 0.00 C ATOM 645 CD1 ILE A 42 7.594 -0.676 -0.753 1.00 0.00 C ATOM 0 H ILE A 42 9.830 -0.860 1.776 1.00 0.00 H new ATOM 0 HA ILE A 42 7.362 -2.506 1.957 1.00 0.00 H new ATOM 0 HB ILE A 42 9.643 -2.466 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.931 -2.547 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.663 -2.583 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.603 -4.650 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.180 -4.841 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.446 -4.604 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.870 -0.356 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.288 -0.309 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.576 -0.273 -1.001 1.00 0.00 H new ATOM 657 N GLU A 43 8.664 -3.931 3.658 1.00 0.00 N ATOM 658 CA GLU A 43 9.385 -4.811 4.571 1.00 0.00 C ATOM 659 C GLU A 43 8.769 -6.211 4.556 1.00 0.00 C ATOM 660 O GLU A 43 7.547 -6.366 4.498 1.00 0.00 O ATOM 661 CB GLU A 43 9.425 -4.187 5.971 1.00 0.00 C ATOM 662 CG GLU A 43 10.361 -4.944 6.921 1.00 0.00 C ATOM 663 CD GLU A 43 10.412 -4.266 8.284 1.00 0.00 C ATOM 664 OE1 GLU A 43 10.748 -3.063 8.301 1.00 0.00 O ATOM 665 OE2 GLU A 43 10.104 -4.962 9.274 1.00 0.00 O ATOM 0 H GLU A 43 7.663 -3.869 3.843 1.00 0.00 H new ATOM 0 HA GLU A 43 10.418 -4.924 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.751 -3.150 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.419 -4.175 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.018 -5.972 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.363 -4.987 6.494 1.00 0.00 H new ATOM 672 N VAL A 44 9.625 -7.235 4.602 1.00 0.00 N ATOM 673 CA VAL A 44 9.216 -8.622 4.759 1.00 0.00 C ATOM 674 C VAL A 44 8.810 -8.834 6.222 1.00 0.00 C ATOM 675 O VAL A 44 9.586 -9.320 7.041 1.00 0.00 O ATOM 676 CB VAL A 44 10.310 -9.569 4.223 1.00 0.00 C ATOM 677 CG1 VAL A 44 11.715 -9.310 4.787 1.00 0.00 C ATOM 678 CG2 VAL A 44 9.928 -11.043 4.414 1.00 0.00 C ATOM 0 H VAL A 44 10.635 -7.116 4.530 1.00 0.00 H new ATOM 0 HA VAL A 44 8.341 -8.865 4.157 1.00 0.00 H new ATOM 0 HB VAL A 44 10.365 -9.343 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.418 -10.022 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.026 -8.296 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.700 -9.428 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.723 -11.678 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.787 -11.248 5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.002 -11.251 3.878 1.00 0.00 H new ATOM 688 N ASN A 45 7.588 -8.409 6.547 1.00 0.00 N ATOM 689 CA ASN A 45 6.989 -8.481 7.876 1.00 0.00 C ATOM 690 C ASN A 45 6.832 -9.928 8.361 1.00 0.00 C ATOM 691 O ASN A 45 5.727 -10.461 8.414 1.00 0.00 O ATOM 692 CB ASN A 45 5.643 -7.743 7.850 1.00 0.00 C ATOM 693 CG ASN A 45 5.003 -7.648 9.233 1.00 0.00 C ATOM 694 OD1 ASN A 45 5.336 -6.766 10.017 1.00 0.00 O ATOM 695 ND2 ASN A 45 4.064 -8.534 9.542 1.00 0.00 N ATOM 0 H ASN A 45 6.964 -7.987 5.860 1.00 0.00 H new ATOM 0 HA ASN A 45 7.654 -7.998 8.591 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.790 -6.739 7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.962 -8.259 7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.601 -8.491 10.450 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.805 -9.258 8.872 1.00 0.00 H new ATOM 702 N GLY A 46 7.938 -10.564 8.745 1.00 0.00 N ATOM 703 CA GLY A 46 7.961 -11.893 9.333 1.00 0.00 C ATOM 704 C GLY A 46 7.376 -12.940 8.388 1.00 0.00 C ATOM 705 O GLY A 46 8.093 -13.512 7.569 1.00 0.00 O ATOM 0 H GLY A 46 8.867 -10.153 8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.987 -12.162 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.396 -11.888 10.265 1.00 0.00 H new ATOM 709 N ASP A 47 6.075 -13.206 8.518 1.00 0.00 N ATOM 710 CA ASP A 47 5.344 -14.148 7.691 1.00 0.00 C ATOM 711 C ASP A 47 4.798 -13.459 6.437 1.00 0.00 C ATOM 712 O ASP A 47 4.627 -14.112 5.406 1.00 0.00 O ATOM 713 CB ASP A 47 4.207 -14.769 8.515 1.00 0.00 C ATOM 714 CG ASP A 47 3.057 -13.798 8.750 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.353 -12.618 9.045 1.00 0.00 O ATOM 716 OD2 ASP A 47 1.905 -14.245 8.578 1.00 0.00 O ATOM 0 H ASP A 47 5.491 -12.756 9.223 1.00 0.00 H new ATOM 0 HA ASP A 47 6.019 -14.939 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.832 -15.654 8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.599 -15.102 9.476 1.00 0.00 H new ATOM 721 N THR A 48 4.495 -12.167 6.538 1.00 0.00 N ATOM 722 CA THR A 48 3.780 -11.350 5.576 1.00 0.00 C ATOM 723 C THR A 48 4.759 -10.368 4.924 1.00 0.00 C ATOM 724 O THR A 48 5.963 -10.411 5.179 1.00 0.00 O ATOM 725 CB THR A 48 2.642 -10.631 6.335 1.00 0.00 C ATOM 726 OG1 THR A 48 3.009 -10.357 7.672 1.00 0.00 O ATOM 727 CG2 THR A 48 1.391 -11.501 6.405 1.00 0.00 C ATOM 0 H THR A 48 4.767 -11.628 7.360 1.00 0.00 H new ATOM 0 HA THR A 48 3.345 -11.947 4.774 1.00 0.00 H new ATOM 0 HB THR A 48 2.449 -9.709 5.786 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.927 -11.174 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.608 -10.969 6.945 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.047 -11.726 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.623 -12.430 6.925 1.00 0.00 H new ATOM 735 N VAL A 49 4.244 -9.476 4.076 1.00 0.00 N ATOM 736 CA VAL A 49 4.960 -8.317 3.579 1.00 0.00 C ATOM 737 C VAL A 49 4.094 -7.092 3.874 1.00 0.00 C ATOM 738 O VAL A 49 2.869 -7.157 3.735 1.00 0.00 O ATOM 739 CB VAL A 49 5.313 -8.508 2.095 1.00 0.00 C ATOM 740 CG1 VAL A 49 4.096 -8.524 1.163 1.00 0.00 C ATOM 741 CG2 VAL A 49 6.299 -7.431 1.623 1.00 0.00 C ATOM 0 H VAL A 49 3.294 -9.548 3.712 1.00 0.00 H new ATOM 0 HA VAL A 49 5.920 -8.176 4.076 1.00 0.00 H new ATOM 0 HB VAL A 49 5.774 -9.494 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.428 -8.663 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.433 -9.342 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.561 -7.578 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.533 -7.588 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.851 -6.446 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.215 -7.493 2.211 1.00 0.00 H new ATOM 751 N ILE A 50 4.727 -6.006 4.327 1.00 0.00 N ATOM 752 CA ILE A 50 4.075 -4.746 4.648 1.00 0.00 C ATOM 753 C ILE A 50 4.575 -3.676 3.683 1.00 0.00 C ATOM 754 O ILE A 50 5.779 -3.577 3.439 1.00 0.00 O ATOM 755 CB ILE A 50 4.260 -4.396 6.137 1.00 0.00 C ATOM 756 CG1 ILE A 50 3.370 -3.210 6.540 1.00 0.00 C ATOM 757 CG2 ILE A 50 5.720 -4.114 6.502 1.00 0.00 C ATOM 758 CD1 ILE A 50 3.262 -3.084 8.063 1.00 0.00 C ATOM 0 H ILE A 50 5.735 -5.985 4.483 1.00 0.00 H new ATOM 0 HA ILE A 50 2.996 -4.821 4.512 1.00 0.00 H new ATOM 0 HB ILE A 50 3.953 -5.277 6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.779 -2.289 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.375 -3.338 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.790 -3.873 7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.325 -4.995 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.086 -3.272 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.626 -2.235 8.314 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.829 -3.996 8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.255 -2.931 8.487 1.00 0.00 H new ATOM 770 N ILE A 51 3.629 -2.933 3.105 1.00 0.00 N ATOM 771 CA ILE A 51 3.800 -1.911 2.090 1.00 0.00 C ATOM 772 C ILE A 51 3.245 -0.613 2.687 1.00 0.00 C ATOM 773 O ILE A 51 2.069 -0.562 3.050 1.00 0.00 O ATOM 774 CB ILE A 51 3.002 -2.294 0.823 1.00 0.00 C ATOM 775 CG1 ILE A 51 3.104 -3.776 0.413 1.00 0.00 C ATOM 776 CG2 ILE A 51 3.379 -1.374 -0.346 1.00 0.00 C ATOM 777 CD1 ILE A 51 4.506 -4.250 0.031 1.00 0.00 C ATOM 0 H ILE A 51 2.648 -3.046 3.361 1.00 0.00 H new ATOM 0 HA ILE A 51 4.847 -1.800 1.807 1.00 0.00 H new ATOM 0 HB ILE A 51 1.954 -2.149 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.742 -4.390 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.436 -3.950 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.808 -1.657 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.153 -0.341 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.444 -1.470 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.472 -5.305 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.869 -3.668 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.179 -4.115 0.878 1.00 0.00 H new ATOM 789 N LYS A 52 4.068 0.429 2.805 1.00 0.00 N ATOM 790 CA LYS A 52 3.670 1.700 3.396 1.00 0.00 C ATOM 791 C LYS A 52 4.041 2.832 2.446 1.00 0.00 C ATOM 792 O LYS A 52 5.198 3.252 2.431 1.00 0.00 O ATOM 793 CB LYS A 52 4.353 1.826 4.761 1.00 0.00 C ATOM 794 CG LYS A 52 4.027 3.148 5.473 1.00 0.00 C ATOM 795 CD LYS A 52 4.710 3.249 6.847 1.00 0.00 C ATOM 796 CE LYS A 52 4.288 2.031 7.680 1.00 0.00 C ATOM 797 NZ LYS A 52 4.398 2.181 9.145 1.00 0.00 N ATOM 0 H LYS A 52 5.038 0.411 2.489 1.00 0.00 H new ATOM 0 HA LYS A 52 2.592 1.753 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.046 0.993 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.432 1.746 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.344 3.983 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.948 3.235 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.794 3.275 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.421 4.172 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.254 1.789 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.895 1.179 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.154 1.281 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.373 2.444 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.745 2.924 9.468 1.00 0.00 H new ATOM 811 N THR A 53 3.073 3.344 1.675 1.00 0.00 N ATOM 812 CA THR A 53 3.295 4.318 0.600 1.00 0.00 C ATOM 813 C THR A 53 3.391 5.754 1.142 1.00 0.00 C ATOM 814 O THR A 53 2.826 6.699 0.596 1.00 0.00 O ATOM 815 CB THR A 53 2.275 4.067 -0.531 1.00 0.00 C ATOM 816 OG1 THR A 53 2.722 4.628 -1.753 1.00 0.00 O ATOM 817 CG2 THR A 53 0.844 4.523 -0.220 1.00 0.00 C ATOM 0 H THR A 53 2.092 3.086 1.784 1.00 0.00 H new ATOM 0 HA THR A 53 4.273 4.178 0.140 1.00 0.00 H new ATOM 0 HB THR A 53 2.220 2.982 -0.624 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.166 3.937 -2.287 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.200 4.306 -1.072 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.476 3.992 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.838 5.595 -0.025 1.00 0.00 H new ATOM 825 N GLN A 54 4.122 5.896 2.249 1.00 0.00 N ATOM 826 CA GLN A 54 4.293 7.124 3.007 1.00 0.00 C ATOM 827 C GLN A 54 4.909 8.253 2.172 1.00 0.00 C ATOM 828 O GLN A 54 6.031 8.134 1.676 1.00 0.00 O ATOM 829 CB GLN A 54 5.123 6.834 4.263 1.00 0.00 C ATOM 830 CG GLN A 54 6.433 6.079 3.976 1.00 0.00 C ATOM 831 CD GLN A 54 7.638 6.878 4.442 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.307 6.520 5.403 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.905 7.986 3.764 1.00 0.00 N ATOM 0 H GLN A 54 4.634 5.114 2.657 1.00 0.00 H new ATOM 0 HA GLN A 54 3.306 7.480 3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.358 7.776 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.521 6.249 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.417 5.112 4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.515 5.881 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.323 8.250 2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.692 8.574 4.038 1.00 0.00 H new ATOM 842 N SER A 55 4.221 9.392 2.103 1.00 0.00 N ATOM 843 CA SER A 55 4.808 10.653 1.680 1.00 0.00 C ATOM 844 C SER A 55 4.579 11.674 2.792 1.00 0.00 C ATOM 845 O SER A 55 4.244 11.283 3.910 1.00 0.00 O ATOM 846 CB SER A 55 4.248 11.086 0.322 1.00 0.00 C ATOM 847 OG SER A 55 5.041 12.153 -0.167 1.00 0.00 O ATOM 0 H SER A 55 3.232 9.461 2.342 1.00 0.00 H new ATOM 0 HA SER A 55 5.882 10.555 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.262 10.251 -0.378 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.209 11.400 0.423 1.00 0.00 H new ATOM 0 HG SER A 55 5.163 12.053 -1.134 1.00 0.00 H new ATOM 853 N THR A 56 4.794 12.959 2.494 1.00 0.00 N ATOM 854 CA THR A 56 4.902 14.021 3.492 1.00 0.00 C ATOM 855 C THR A 56 3.771 13.934 4.531 1.00 0.00 C ATOM 856 O THR A 56 2.624 14.278 4.250 1.00 0.00 O ATOM 857 CB THR A 56 5.072 15.400 2.820 1.00 0.00 C ATOM 858 OG1 THR A 56 5.630 16.322 3.731 1.00 0.00 O ATOM 859 CG2 THR A 56 3.787 16.012 2.259 1.00 0.00 C ATOM 0 H THR A 56 4.899 13.293 1.536 1.00 0.00 H new ATOM 0 HA THR A 56 5.815 13.877 4.070 1.00 0.00 H new ATOM 0 HB THR A 56 5.730 15.210 1.972 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.973 16.534 4.426 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.011 16.979 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.367 15.348 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.066 16.146 3.065 1.00 0.00 H new ATOM 867 N PHE A 57 4.111 13.384 5.705 1.00 0.00 N ATOM 868 CA PHE A 57 3.228 13.096 6.830 1.00 0.00 C ATOM 869 C PHE A 57 1.838 12.574 6.431 1.00 0.00 C ATOM 870 O PHE A 57 0.863 12.854 7.128 1.00 0.00 O ATOM 871 CB PHE A 57 3.182 14.307 7.781 1.00 0.00 C ATOM 872 CG PHE A 57 2.817 15.634 7.139 1.00 0.00 C ATOM 873 CD1 PHE A 57 3.820 16.434 6.560 1.00 0.00 C ATOM 874 CD2 PHE A 57 1.479 16.065 7.105 1.00 0.00 C ATOM 875 CE1 PHE A 57 3.482 17.631 5.910 1.00 0.00 C ATOM 876 CE2 PHE A 57 1.146 17.285 6.490 1.00 0.00 C ATOM 877 CZ PHE A 57 2.145 18.061 5.880 1.00 0.00 C ATOM 0 H PHE A 57 5.075 13.113 5.901 1.00 0.00 H new ATOM 0 HA PHE A 57 3.658 12.253 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.463 14.097 8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.158 14.410 8.256 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.853 16.126 6.616 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.706 15.458 7.552 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.250 18.222 5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.121 17.626 6.487 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.886 18.987 5.389 1.00 0.00 H new ATOM 887 N LYS A 58 1.731 11.794 5.345 1.00 0.00 N ATOM 888 CA LYS A 58 0.460 11.267 4.858 1.00 0.00 C ATOM 889 C LYS A 58 0.684 10.003 4.025 1.00 0.00 C ATOM 890 O LYS A 58 1.788 9.779 3.527 1.00 0.00 O ATOM 891 CB LYS A 58 -0.276 12.310 3.999 1.00 0.00 C ATOM 892 CG LYS A 58 -0.760 13.539 4.778 1.00 0.00 C ATOM 893 CD LYS A 58 -1.733 14.345 3.911 1.00 0.00 C ATOM 894 CE LYS A 58 -2.308 15.535 4.688 1.00 0.00 C ATOM 895 NZ LYS A 58 -3.129 16.402 3.818 1.00 0.00 N ATOM 0 H LYS A 58 2.533 11.513 4.781 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.150 11.026 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.388 12.639 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.134 11.833 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.251 13.228 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.090 14.160 5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.219 14.703 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.545 13.700 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.914 15.171 5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.494 16.117 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.926 16.787 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.546 17.184 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.494 15.846 3.018 1.00 0.00 H new ATOM 909 N ASN A 59 -0.399 9.239 3.828 1.00 0.00 N ATOM 910 CA ASN A 59 -0.519 7.947 3.142 1.00 0.00 C ATOM 911 C ASN A 59 -0.474 6.799 4.151 1.00 0.00 C ATOM 912 O ASN A 59 -0.197 7.005 5.331 1.00 0.00 O ATOM 913 CB ASN A 59 0.458 7.721 1.979 1.00 0.00 C ATOM 914 CG ASN A 59 0.277 8.684 0.810 1.00 0.00 C ATOM 915 OD1 ASN A 59 -0.454 8.408 -0.141 1.00 0.00 O ATOM 916 ND2 ASN A 59 0.949 9.829 0.870 1.00 0.00 N ATOM 0 H ASN A 59 -1.306 9.543 4.182 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.496 7.970 2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.478 7.811 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.341 6.700 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.867 10.509 0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.547 10.028 1.672 1.00 0.00 H new ATOM 923 N THR A 60 -0.827 5.603 3.685 1.00 0.00 N ATOM 924 CA THR A 60 -1.332 4.503 4.485 1.00 0.00 C ATOM 925 C THR A 60 -0.332 3.344 4.582 1.00 0.00 C ATOM 926 O THR A 60 0.736 3.365 3.964 1.00 0.00 O ATOM 927 CB THR A 60 -2.650 4.080 3.813 1.00 0.00 C ATOM 928 OG1 THR A 60 -2.445 4.142 2.410 1.00 0.00 O ATOM 929 CG2 THR A 60 -3.768 5.055 4.206 1.00 0.00 C ATOM 0 H THR A 60 -0.764 5.370 2.694 1.00 0.00 H new ATOM 0 HA THR A 60 -1.492 4.808 5.519 1.00 0.00 H new ATOM 0 HB THR A 60 -2.937 3.076 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.146 4.692 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.700 4.752 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.896 5.045 5.288 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.504 6.061 3.881 1.00 0.00 H new ATOM 937 N GLU A 61 -0.697 2.351 5.401 1.00 0.00 N ATOM 938 CA GLU A 61 0.062 1.161 5.744 1.00 0.00 C ATOM 939 C GLU A 61 -0.823 -0.038 5.393 1.00 0.00 C ATOM 940 O GLU A 61 -1.957 -0.102 5.866 1.00 0.00 O ATOM 941 CB GLU A 61 0.375 1.243 7.247 1.00 0.00 C ATOM 942 CG GLU A 61 1.231 0.093 7.799 1.00 0.00 C ATOM 943 CD GLU A 61 1.899 0.479 9.118 1.00 0.00 C ATOM 944 OE1 GLU A 61 1.432 1.436 9.768 1.00 0.00 O ATOM 945 OE2 GLU A 61 3.017 -0.023 9.368 1.00 0.00 O ATOM 0 H GLU A 61 -1.601 2.368 5.873 1.00 0.00 H new ATOM 0 HA GLU A 61 1.005 1.067 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.888 2.184 7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.566 1.271 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.607 -0.788 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.994 -0.178 7.069 1.00 0.00 H new ATOM 952 N ILE A 62 -0.340 -0.932 4.527 1.00 0.00 N ATOM 953 CA ILE A 62 -1.080 -2.069 3.986 1.00 0.00 C ATOM 954 C ILE A 62 -0.204 -3.311 4.187 1.00 0.00 C ATOM 955 O ILE A 62 1.003 -3.235 3.969 1.00 0.00 O ATOM 956 CB ILE A 62 -1.402 -1.766 2.505 1.00 0.00 C ATOM 957 CG1 ILE A 62 -2.614 -0.816 2.445 1.00 0.00 C ATOM 958 CG2 ILE A 62 -1.650 -3.034 1.678 1.00 0.00 C ATOM 959 CD1 ILE A 62 -2.900 -0.266 1.043 1.00 0.00 C ATOM 0 H ILE A 62 0.614 -0.880 4.171 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.032 -2.249 4.486 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.531 -1.288 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.497 -1.345 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.444 0.019 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.871 -2.758 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.761 -3.664 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.494 -3.582 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.767 0.394 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.034 0.292 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.103 -1.093 0.362 1.00 0.00 H new ATOM 971 N SER A 63 -0.766 -4.440 4.624 1.00 0.00 N ATOM 972 CA SER A 63 -0.007 -5.603 5.076 1.00 0.00 C ATOM 973 C SER A 63 -0.686 -6.888 4.619 1.00 0.00 C ATOM 974 O SER A 63 -1.838 -7.101 4.984 1.00 0.00 O ATOM 975 CB SER A 63 0.071 -5.574 6.606 1.00 0.00 C ATOM 976 OG SER A 63 -1.229 -5.447 7.154 1.00 0.00 O ATOM 0 H SER A 63 -1.776 -4.572 4.674 1.00 0.00 H new ATOM 0 HA SER A 63 0.996 -5.572 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.541 -6.487 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.695 -4.741 6.931 1.00 0.00 H new ATOM 0 HG SER A 63 -1.862 -5.969 6.619 1.00 0.00 H new ATOM 982 N PHE A 64 0.000 -7.753 3.862 1.00 0.00 N ATOM 983 CA PHE A 64 -0.618 -8.955 3.309 1.00 0.00 C ATOM 984 C PHE A 64 0.375 -10.108 3.202 1.00 0.00 C ATOM 985 O PHE A 64 1.585 -9.914 3.290 1.00 0.00 O ATOM 986 CB PHE A 64 -1.247 -8.631 1.946 1.00 0.00 C ATOM 987 CG PHE A 64 -0.346 -7.911 0.961 1.00 0.00 C ATOM 988 CD1 PHE A 64 0.587 -8.628 0.194 1.00 0.00 C ATOM 989 CD2 PHE A 64 -0.463 -6.519 0.795 1.00 0.00 C ATOM 990 CE1 PHE A 64 1.376 -7.962 -0.758 1.00 0.00 C ATOM 991 CE2 PHE A 64 0.320 -5.854 -0.163 1.00 0.00 C ATOM 992 CZ PHE A 64 1.233 -6.578 -0.950 1.00 0.00 C ATOM 0 H PHE A 64 0.984 -7.639 3.621 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.402 -9.283 3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.582 -9.563 1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.135 -8.020 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.698 -9.693 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.157 -5.960 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.095 -8.516 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.221 -4.787 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.823 -6.071 -1.700 1.00 0.00 H new ATOM 1002 N LYS A 65 -0.150 -11.318 2.989 1.00 0.00 N ATOM 1003 CA LYS A 65 0.610 -12.490 2.585 1.00 0.00 C ATOM 1004 C LYS A 65 0.381 -12.650 1.087 1.00 0.00 C ATOM 1005 O LYS A 65 -0.746 -12.497 0.622 1.00 0.00 O ATOM 1006 CB LYS A 65 0.097 -13.722 3.350 1.00 0.00 C ATOM 1007 CG LYS A 65 0.848 -15.030 3.065 1.00 0.00 C ATOM 1008 CD LYS A 65 2.287 -14.973 3.588 1.00 0.00 C ATOM 1009 CE LYS A 65 2.928 -16.367 3.586 1.00 0.00 C ATOM 1010 NZ LYS A 65 4.339 -16.309 4.016 1.00 0.00 N ATOM 0 H LYS A 65 -1.146 -11.508 3.098 1.00 0.00 H new ATOM 0 HA LYS A 65 1.672 -12.385 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.154 -13.515 4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.956 -13.867 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.322 -15.863 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.856 -15.220 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.876 -14.297 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.294 -14.567 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.370 -17.027 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.868 -16.796 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.946 -16.700 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.606 -15.320 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.460 -16.866 4.886 1.00 0.00 H new ATOM 1024 N LEU A 66 1.425 -12.974 0.326 1.00 0.00 N ATOM 1025 CA LEU A 66 1.315 -13.250 -1.102 1.00 0.00 C ATOM 1026 C LEU A 66 0.692 -14.634 -1.336 1.00 0.00 C ATOM 1027 O LEU A 66 1.293 -15.496 -1.973 1.00 0.00 O ATOM 1028 CB LEU A 66 2.683 -13.080 -1.786 1.00 0.00 C ATOM 1029 CG LEU A 66 3.835 -13.782 -1.040 1.00 0.00 C ATOM 1030 CD1 LEU A 66 4.786 -14.437 -2.048 1.00 0.00 C ATOM 1031 CD2 LEU A 66 4.625 -12.794 -0.166 1.00 0.00 C ATOM 0 H LEU A 66 2.376 -13.052 0.687 1.00 0.00 H new ATOM 0 HA LEU A 66 0.643 -12.526 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.624 -13.474 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.909 -12.017 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 66 3.397 -14.541 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.598 -14.931 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.240 -15.172 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.198 -13.674 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.429 -13.323 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.048 -12.010 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.958 -12.347 0.572 1.00 0.00 H new ATOM 1043 N GLY A 67 -0.527 -14.836 -0.831 1.00 0.00 N ATOM 1044 CA GLY A 67 -1.272 -16.080 -0.952 1.00 0.00 C ATOM 1045 C GLY A 67 -2.315 -16.176 0.158 1.00 0.00 C ATOM 1046 O GLY A 67 -2.244 -17.090 0.976 1.00 0.00 O ATOM 0 H GLY A 67 -1.032 -14.116 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.760 -16.128 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.590 -16.928 -0.895 1.00 0.00 H new ATOM 1050 N VAL A 68 -3.262 -15.231 0.210 1.00 0.00 N ATOM 1051 CA VAL A 68 -4.332 -15.216 1.210 1.00 0.00 C ATOM 1052 C VAL A 68 -5.401 -14.209 0.782 1.00 0.00 C ATOM 1053 O VAL A 68 -5.162 -13.441 -0.155 1.00 0.00 O ATOM 1054 CB VAL A 68 -3.758 -14.889 2.613 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -3.502 -13.387 2.798 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -4.644 -15.390 3.762 1.00 0.00 C ATOM 0 H VAL A 68 -3.306 -14.451 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.793 -16.201 1.276 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.810 -15.425 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.100 -13.206 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.786 -13.045 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.438 -12.841 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.185 -15.129 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.627 -14.925 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.750 -16.473 3.695 1.00 0.00 H new ATOM 1066 N GLU A 69 -6.533 -14.172 1.501 1.00 0.00 N ATOM 1067 CA GLU A 69 -7.469 -13.059 1.482 1.00 0.00 C ATOM 1068 C GLU A 69 -7.840 -12.637 2.905 1.00 0.00 C ATOM 1069 O GLU A 69 -7.785 -13.457 3.820 1.00 0.00 O ATOM 1070 CB GLU A 69 -8.709 -13.381 0.642 1.00 0.00 C ATOM 1071 CG GLU A 69 -9.575 -14.525 1.183 1.00 0.00 C ATOM 1072 CD GLU A 69 -10.941 -14.501 0.514 1.00 0.00 C ATOM 1073 OE1 GLU A 69 -11.795 -13.731 1.009 1.00 0.00 O ATOM 1074 OE2 GLU A 69 -11.110 -15.213 -0.494 1.00 0.00 O ATOM 0 H GLU A 69 -6.820 -14.931 2.119 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.975 -12.213 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.323 -12.483 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.390 -13.633 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.086 -15.482 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.687 -14.428 2.263 1.00 0.00 H new ATOM 1081 N PHE A 70 -8.189 -11.360 3.095 1.00 0.00 N ATOM 1082 CA PHE A 70 -8.578 -10.800 4.387 1.00 0.00 C ATOM 1083 C PHE A 70 -9.215 -9.424 4.176 1.00 0.00 C ATOM 1084 O PHE A 70 -9.017 -8.812 3.125 1.00 0.00 O ATOM 1085 CB PHE A 70 -7.365 -10.704 5.331 1.00 0.00 C ATOM 1086 CG PHE A 70 -6.270 -9.763 4.859 1.00 0.00 C ATOM 1087 CD1 PHE A 70 -5.498 -10.089 3.730 1.00 0.00 C ATOM 1088 CD2 PHE A 70 -6.065 -8.531 5.505 1.00 0.00 C ATOM 1089 CE1 PHE A 70 -4.597 -9.161 3.193 1.00 0.00 C ATOM 1090 CE2 PHE A 70 -5.145 -7.608 4.981 1.00 0.00 C ATOM 1091 CZ PHE A 70 -4.450 -7.903 3.799 1.00 0.00 C ATOM 0 H PHE A 70 -8.208 -10.676 2.338 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.308 -11.461 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.710 -10.377 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.940 -11.700 5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.601 -11.062 3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.615 -8.294 6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.018 -9.412 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.973 -6.670 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.802 -7.162 3.355 1.00 0.00 H new ATOM 1101 N ASP A 71 -9.985 -8.948 5.164 1.00 0.00 N ATOM 1102 CA ASP A 71 -10.494 -7.580 5.201 1.00 0.00 C ATOM 1103 C ASP A 71 -9.352 -6.654 5.601 1.00 0.00 C ATOM 1104 O ASP A 71 -8.681 -6.911 6.600 1.00 0.00 O ATOM 1105 CB ASP A 71 -11.646 -7.457 6.207 1.00 0.00 C ATOM 1106 CG ASP A 71 -12.278 -6.066 6.215 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.615 -5.072 6.594 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -13.493 -5.988 5.926 1.00 0.00 O ATOM 0 H ASP A 71 -10.272 -9.511 5.965 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.876 -7.306 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.410 -8.197 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.277 -7.689 7.206 1.00 0.00 H new ATOM 1113 N GLU A 72 -9.139 -5.595 4.825 1.00 0.00 N ATOM 1114 CA GLU A 72 -8.228 -4.516 5.137 1.00 0.00 C ATOM 1115 C GLU A 72 -9.071 -3.242 5.087 1.00 0.00 C ATOM 1116 O GLU A 72 -9.759 -2.987 4.102 1.00 0.00 O ATOM 1117 CB GLU A 72 -7.057 -4.549 4.142 1.00 0.00 C ATOM 1118 CG GLU A 72 -5.791 -3.855 4.667 1.00 0.00 C ATOM 1119 CD GLU A 72 -4.539 -4.311 3.921 1.00 0.00 C ATOM 1120 OE1 GLU A 72 -4.675 -4.696 2.739 1.00 0.00 O ATOM 1121 OE2 GLU A 72 -3.461 -4.311 4.550 1.00 0.00 O ATOM 0 H GLU A 72 -9.616 -5.467 3.933 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.767 -4.589 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.822 -5.586 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.366 -4.071 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.901 -2.775 4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.676 -4.065 5.730 1.00 0.00 H new ATOM 1128 N THR A 73 -9.090 -2.474 6.173 1.00 0.00 N ATOM 1129 CA THR A 73 -9.893 -1.267 6.271 1.00 0.00 C ATOM 1130 C THR A 73 -8.934 -0.092 6.418 1.00 0.00 C ATOM 1131 O THR A 73 -8.459 0.180 7.518 1.00 0.00 O ATOM 1132 CB THR A 73 -10.908 -1.434 7.409 1.00 0.00 C ATOM 1133 OG1 THR A 73 -11.782 -2.514 7.109 1.00 0.00 O ATOM 1134 CG2 THR A 73 -11.783 -0.189 7.576 1.00 0.00 C ATOM 0 H THR A 73 -8.545 -2.676 7.011 1.00 0.00 H new ATOM 0 HA THR A 73 -10.493 -1.073 5.382 1.00 0.00 H new ATOM 0 HB THR A 73 -10.340 -1.610 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.271 -3.350 7.078 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.489 -0.347 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.153 0.671 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.332 -0.003 6.653 1.00 0.00 H new ATOM 1142 N THR A 74 -8.614 0.559 5.294 1.00 0.00 N ATOM 1143 CA THR A 74 -7.546 1.545 5.198 1.00 0.00 C ATOM 1144 C THR A 74 -8.138 2.929 4.930 1.00 0.00 C ATOM 1145 O THR A 74 -9.106 3.066 4.179 1.00 0.00 O ATOM 1146 CB THR A 74 -6.521 1.099 4.142 1.00 0.00 C ATOM 1147 OG1 THR A 74 -5.508 2.072 3.999 1.00 0.00 O ATOM 1148 CG2 THR A 74 -7.138 0.787 2.775 1.00 0.00 C ATOM 0 H THR A 74 -9.103 0.408 4.412 1.00 0.00 H new ATOM 0 HA THR A 74 -7.007 1.618 6.143 1.00 0.00 H new ATOM 0 HB THR A 74 -6.097 0.165 4.512 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.818 2.781 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.354 0.479 2.083 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.866 -0.018 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.634 1.677 2.388 1.00 0.00 H new ATOM 1156 N ALA A 75 -7.574 3.964 5.561 1.00 0.00 N ATOM 1157 CA ALA A 75 -8.116 5.320 5.573 1.00 0.00 C ATOM 1158 C ALA A 75 -7.815 6.076 4.274 1.00 0.00 C ATOM 1159 O ALA A 75 -7.371 7.223 4.307 1.00 0.00 O ATOM 1160 CB ALA A 75 -7.584 6.062 6.805 1.00 0.00 C ATOM 0 H ALA A 75 -6.706 3.876 6.090 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.203 5.262 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.985 7.076 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.893 5.536 7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.496 6.103 6.763 1.00 0.00 H new ATOM 1166 N ASP A 76 -8.082 5.434 3.138 1.00 0.00 N ATOM 1167 CA ASP A 76 -7.858 5.950 1.800 1.00 0.00 C ATOM 1168 C ASP A 76 -8.654 5.116 0.794 1.00 0.00 C ATOM 1169 O ASP A 76 -9.566 5.636 0.152 1.00 0.00 O ATOM 1170 CB ASP A 76 -6.356 6.035 1.473 1.00 0.00 C ATOM 1171 CG ASP A 76 -5.586 4.721 1.429 1.00 0.00 C ATOM 1172 OD1 ASP A 76 -6.069 3.728 2.017 1.00 0.00 O ATOM 1173 OD2 ASP A 76 -4.486 4.738 0.837 1.00 0.00 O ATOM 0 H ASP A 76 -8.480 4.495 3.132 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.223 6.975 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.246 6.525 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.883 6.681 2.213 1.00 0.00 H new ATOM 1178 N ASP A 77 -8.347 3.821 0.683 1.00 0.00 N ATOM 1179 CA ASP A 77 -9.054 2.894 -0.189 1.00 0.00 C ATOM 1180 C ASP A 77 -10.274 2.283 0.507 1.00 0.00 C ATOM 1181 O ASP A 77 -11.067 1.615 -0.148 1.00 0.00 O ATOM 1182 CB ASP A 77 -8.106 1.828 -0.753 1.00 0.00 C ATOM 1183 CG ASP A 77 -8.718 1.082 -1.935 1.00 0.00 C ATOM 1184 OD1 ASP A 77 -9.531 1.706 -2.655 1.00 0.00 O ATOM 1185 OD2 ASP A 77 -8.352 -0.096 -2.123 1.00 0.00 O ATOM 0 H ASP A 77 -7.588 3.385 1.207 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.435 3.461 -1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.175 2.301 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.853 1.116 0.033 1.00 0.00 H new ATOM 1190 N ARG A 78 -10.492 2.595 1.791 1.00 0.00 N ATOM 1191 CA ARG A 78 -11.721 2.337 2.537 1.00 0.00 C ATOM 1192 C ARG A 78 -11.714 0.894 3.063 1.00 0.00 C ATOM 1193 O ARG A 78 -10.646 0.303 3.235 1.00 0.00 O ATOM 1194 CB ARG A 78 -12.983 2.715 1.722 1.00 0.00 C ATOM 1195 CG ARG A 78 -12.941 4.139 1.128 1.00 0.00 C ATOM 1196 CD ARG A 78 -13.541 4.189 -0.287 1.00 0.00 C ATOM 1197 NE ARG A 78 -12.653 3.523 -1.259 1.00 0.00 N ATOM 1198 CZ ARG A 78 -12.998 2.868 -2.377 1.00 0.00 C ATOM 1199 NH1 ARG A 78 -14.268 2.871 -2.792 1.00 0.00 N ATOM 1200 NH2 ARG A 78 -12.077 2.200 -3.075 1.00 0.00 N ATOM 0 H ARG A 78 -9.781 3.055 2.360 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.760 2.989 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.108 1.997 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.859 2.626 2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.489 4.820 1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.909 4.489 1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.518 3.705 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.698 5.226 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.654 3.566 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.978 3.372 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.528 2.372 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.107 2.187 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.343 1.703 -3.925 1.00 0.00 H new ATOM 1214 N LYS A 79 -12.894 0.329 3.345 1.00 0.00 N ATOM 1215 CA LYS A 79 -13.029 -1.093 3.618 1.00 0.00 C ATOM 1216 C LYS A 79 -12.905 -1.845 2.301 1.00 0.00 C ATOM 1217 O LYS A 79 -13.757 -1.691 1.426 1.00 0.00 O ATOM 1218 CB LYS A 79 -14.357 -1.398 4.327 1.00 0.00 C ATOM 1219 CG LYS A 79 -14.554 -2.919 4.450 1.00 0.00 C ATOM 1220 CD LYS A 79 -15.676 -3.304 5.424 1.00 0.00 C ATOM 1221 CE LYS A 79 -15.314 -3.099 6.904 1.00 0.00 C ATOM 1222 NZ LYS A 79 -14.089 -3.829 7.280 1.00 0.00 N ATOM 0 H LYS A 79 -13.772 0.847 3.388 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.239 -1.419 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.363 -0.942 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.185 -0.960 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.778 -3.331 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.621 -3.375 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.563 -2.715 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.938 -4.350 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.177 -2.036 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.142 -3.434 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.992 -3.834 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.148 -4.808 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.262 -3.361 6.857 1.00 0.00 H new ATOM 1236 N VAL A 80 -11.868 -2.670 2.181 1.00 0.00 N ATOM 1237 CA VAL A 80 -11.640 -3.531 1.040 1.00 0.00 C ATOM 1238 C VAL A 80 -11.356 -4.937 1.565 1.00 0.00 C ATOM 1239 O VAL A 80 -10.871 -5.092 2.680 1.00 0.00 O ATOM 1240 CB VAL A 80 -10.470 -2.976 0.207 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.769 -1.568 -0.323 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -9.160 -2.879 1.006 1.00 0.00 C ATOM 0 H VAL A 80 -11.148 -2.755 2.898 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.512 -3.569 0.387 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.352 -3.686 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.920 -1.211 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.656 -1.598 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.944 -0.893 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.372 -2.481 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.303 -2.217 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.875 -3.870 1.359 1.00 0.00 H new ATOM 1252 N LYS A 81 -11.618 -5.976 0.775 1.00 0.00 N ATOM 1253 CA LYS A 81 -10.839 -7.190 0.907 1.00 0.00 C ATOM 1254 C LYS A 81 -9.544 -6.969 0.142 1.00 0.00 C ATOM 1255 O LYS A 81 -9.564 -6.419 -0.962 1.00 0.00 O ATOM 1256 CB LYS A 81 -11.574 -8.423 0.369 1.00 0.00 C ATOM 1257 CG LYS A 81 -12.527 -9.025 1.407 1.00 0.00 C ATOM 1258 CD LYS A 81 -12.934 -10.434 0.953 1.00 0.00 C ATOM 1259 CE LYS A 81 -13.794 -11.137 2.010 1.00 0.00 C ATOM 1260 NZ LYS A 81 -14.031 -12.551 1.656 1.00 0.00 N ATOM 0 H LYS A 81 -12.344 -5.998 0.058 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.654 -7.390 1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.137 -8.148 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.846 -9.175 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.042 -9.069 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.410 -8.395 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.487 -10.370 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.041 -11.027 0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.300 -11.081 2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.748 -10.620 2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.697 -12.972 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.431 -12.607 0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.131 -13.072 1.686 1.00 0.00 H new ATOM 1274 N SER A 82 -8.437 -7.412 0.726 1.00 0.00 N ATOM 1275 CA SER A 82 -7.194 -7.659 0.028 1.00 0.00 C ATOM 1276 C SER A 82 -7.136 -9.160 -0.190 1.00 0.00 C ATOM 1277 O SER A 82 -7.148 -9.904 0.789 1.00 0.00 O ATOM 1278 CB SER A 82 -6.023 -7.193 0.897 1.00 0.00 C ATOM 1279 OG SER A 82 -5.747 -5.833 0.642 1.00 0.00 O ATOM 0 H SER A 82 -8.384 -7.613 1.725 1.00 0.00 H new ATOM 0 HA SER A 82 -7.136 -7.122 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.263 -7.333 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.140 -7.798 0.688 1.00 0.00 H new ATOM 0 HG SER A 82 -5.289 -5.442 1.415 1.00 0.00 H new ATOM 1285 N ILE A 83 -7.078 -9.592 -1.452 1.00 0.00 N ATOM 1286 CA ILE A 83 -6.779 -10.964 -1.827 1.00 0.00 C ATOM 1287 C ILE A 83 -5.532 -10.922 -2.707 1.00 0.00 C ATOM 1288 O ILE A 83 -5.490 -10.163 -3.676 1.00 0.00 O ATOM 1289 CB ILE A 83 -8.003 -11.655 -2.460 1.00 0.00 C ATOM 1290 CG1 ILE A 83 -7.587 -13.020 -3.039 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -8.711 -10.784 -3.503 1.00 0.00 C ATOM 1292 CD1 ILE A 83 -8.780 -13.915 -3.389 1.00 0.00 C ATOM 0 H ILE A 83 -7.242 -8.981 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.561 -11.587 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.738 -11.814 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.986 -12.860 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.953 -13.536 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.564 -11.326 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.058 -9.863 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.016 -10.542 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.419 -14.861 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.369 -14.104 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.402 -13.418 -4.133 1.00 0.00 H new ATOM 1304 N VAL A 84 -4.481 -11.652 -2.315 1.00 0.00 N ATOM 1305 CA VAL A 84 -3.158 -11.502 -2.906 1.00 0.00 C ATOM 1306 C VAL A 84 -2.526 -12.864 -3.182 1.00 0.00 C ATOM 1307 O VAL A 84 -2.721 -13.800 -2.402 1.00 0.00 O ATOM 1308 CB VAL A 84 -2.256 -10.649 -1.993 1.00 0.00 C ATOM 1309 CG1 VAL A 84 -1.013 -10.181 -2.756 1.00 0.00 C ATOM 1310 CG2 VAL A 84 -2.977 -9.418 -1.439 1.00 0.00 C ATOM 0 H VAL A 84 -4.529 -12.359 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.264 -10.986 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.975 -11.288 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.387 -9.580 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.450 -11.048 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.317 -9.581 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.296 -8.853 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.309 -8.788 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.841 -9.735 -0.855 1.00 0.00 H new ATOM 1320 N THR A 85 -1.762 -12.971 -4.278 1.00 0.00 N ATOM 1321 CA THR A 85 -1.021 -14.169 -4.656 1.00 0.00 C ATOM 1322 C THR A 85 0.132 -13.779 -5.590 1.00 0.00 C ATOM 1323 O THR A 85 -0.028 -12.872 -6.403 1.00 0.00 O ATOM 1324 CB THR A 85 -1.961 -15.179 -5.341 1.00 0.00 C ATOM 1325 OG1 THR A 85 -3.196 -15.257 -4.668 1.00 0.00 O ATOM 1326 CG2 THR A 85 -1.376 -16.587 -5.308 1.00 0.00 C ATOM 0 H THR A 85 -1.643 -12.203 -4.939 1.00 0.00 H new ATOM 0 HA THR A 85 -0.609 -14.641 -3.764 1.00 0.00 H new ATOM 0 HB THR A 85 -2.088 -14.829 -6.365 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.776 -15.903 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.062 -17.278 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.418 -16.595 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.229 -16.896 -4.273 1.00 0.00 H new ATOM 1334 N LEU A 86 1.289 -14.446 -5.495 1.00 0.00 N ATOM 1335 CA LEU A 86 2.333 -14.337 -6.512 1.00 0.00 C ATOM 1336 C LEU A 86 2.034 -15.331 -7.632 1.00 0.00 C ATOM 1337 O LEU A 86 2.175 -16.536 -7.437 1.00 0.00 O ATOM 1338 CB LEU A 86 3.732 -14.497 -5.895 1.00 0.00 C ATOM 1339 CG LEU A 86 4.800 -13.631 -6.593 1.00 0.00 C ATOM 1340 CD1 LEU A 86 6.079 -13.627 -5.752 1.00 0.00 C ATOM 1341 CD2 LEU A 86 5.147 -14.090 -8.016 1.00 0.00 C ATOM 0 H LEU A 86 1.523 -15.067 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 86 2.333 -13.339 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.690 -14.231 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.029 -15.544 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 86 4.371 -12.633 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.836 -13.015 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.865 -13.216 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.449 -14.647 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.905 -13.429 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.531 -15.110 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.252 -14.057 -8.637 1.00 0.00 H new ATOM 1353 N ASP A 87 1.630 -14.847 -8.812 1.00 0.00 N ATOM 1354 CA ASP A 87 1.187 -15.695 -9.920 1.00 0.00 C ATOM 1355 C ASP A 87 2.358 -16.329 -10.683 1.00 0.00 C ATOM 1356 O ASP A 87 2.275 -16.558 -11.889 1.00 0.00 O ATOM 1357 CB ASP A 87 0.267 -14.892 -10.855 1.00 0.00 C ATOM 1358 CG ASP A 87 0.978 -13.881 -11.748 1.00 0.00 C ATOM 1359 OD1 ASP A 87 2.221 -13.722 -11.665 1.00 0.00 O ATOM 1360 OD2 ASP A 87 0.287 -13.231 -12.563 1.00 0.00 O ATOM 0 H ASP A 87 1.602 -13.850 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 87 0.622 -16.527 -9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.281 -15.590 -11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.470 -14.364 -10.249 1.00 0.00 H new ATOM 1365 N GLY A 88 3.481 -16.570 -10.006 1.00 0.00 N ATOM 1366 CA GLY A 88 4.727 -16.946 -10.650 1.00 0.00 C ATOM 1367 C GLY A 88 5.443 -15.751 -11.291 1.00 0.00 C ATOM 1368 O GLY A 88 6.670 -15.717 -11.273 1.00 0.00 O ATOM 0 H GLY A 88 3.546 -16.508 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.386 -17.409 -9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.525 -17.696 -11.414 1.00 0.00 H new ATOM 1372 N GLY A 89 4.713 -14.788 -11.870 1.00 0.00 N ATOM 1373 CA GLY A 89 5.292 -13.702 -12.647 1.00 0.00 C ATOM 1374 C GLY A 89 5.217 -12.351 -11.937 1.00 0.00 C ATOM 1375 O GLY A 89 5.979 -11.459 -12.288 1.00 0.00 O ATOM 0 H GLY A 89 3.696 -14.747 -11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.335 -13.934 -12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.775 -13.632 -13.604 1.00 0.00 H new ATOM 1379 N LYS A 90 4.263 -12.159 -11.019 1.00 0.00 N ATOM 1380 CA LYS A 90 4.103 -10.922 -10.264 1.00 0.00 C ATOM 1381 C LYS A 90 3.219 -11.170 -9.043 1.00 0.00 C ATOM 1382 O LYS A 90 2.442 -12.127 -9.041 1.00 0.00 O ATOM 1383 CB LYS A 90 3.492 -9.838 -11.171 1.00 0.00 C ATOM 1384 CG LYS A 90 2.066 -10.189 -11.627 1.00 0.00 C ATOM 1385 CD LYS A 90 1.823 -9.885 -13.112 1.00 0.00 C ATOM 1386 CE LYS A 90 2.578 -10.828 -14.065 1.00 0.00 C ATOM 1387 NZ LYS A 90 2.251 -12.250 -13.831 1.00 0.00 N ATOM 0 H LYS A 90 3.573 -12.872 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 90 5.077 -10.577 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.476 -8.888 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.127 -9.701 -12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.881 -11.247 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.349 -9.631 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.755 -9.953 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.123 -8.857 -13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.336 -10.568 -15.095 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.651 -10.680 -13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.662 -12.830 -14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.642 -12.550 -12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.218 -12.372 -13.823 1.00 0.00 H new ATOM 1401 N LEU A 91 3.285 -10.297 -8.030 1.00 0.00 N ATOM 1402 CA LEU A 91 2.310 -10.342 -6.945 1.00 0.00 C ATOM 1403 C LEU A 91 1.021 -9.661 -7.390 1.00 0.00 C ATOM 1404 O LEU A 91 0.933 -8.433 -7.381 1.00 0.00 O ATOM 1405 CB LEU A 91 2.843 -9.843 -5.596 1.00 0.00 C ATOM 1406 CG LEU A 91 3.535 -8.477 -5.631 1.00 0.00 C ATOM 1407 CD1 LEU A 91 3.131 -7.679 -4.386 1.00 0.00 C ATOM 1408 CD2 LEU A 91 5.058 -8.651 -5.664 1.00 0.00 C ATOM 0 H LEU A 91 3.991 -9.566 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 91 2.088 -11.390 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.013 -9.793 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.547 -10.579 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 91 3.228 -7.942 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.620 -6.705 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.050 -7.542 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.436 -8.222 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.536 -7.672 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.382 -9.190 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.341 -9.215 -6.553 1.00 0.00 H new ATOM 1420 N VAL A 92 0.027 -10.465 -7.778 1.00 0.00 N ATOM 1421 CA VAL A 92 -1.307 -9.976 -8.066 1.00 0.00 C ATOM 1422 C VAL A 92 -1.980 -9.702 -6.724 1.00 0.00 C ATOM 1423 O VAL A 92 -2.110 -10.608 -5.902 1.00 0.00 O ATOM 1424 CB VAL A 92 -2.100 -10.927 -9.000 1.00 0.00 C ATOM 1425 CG1 VAL A 92 -1.266 -11.394 -10.203 1.00 0.00 C ATOM 1426 CG2 VAL A 92 -2.683 -12.189 -8.357 1.00 0.00 C ATOM 0 H VAL A 92 0.133 -11.472 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.268 -9.049 -8.638 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.933 -10.290 -9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.866 -12.057 -10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.956 -10.529 -10.788 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.384 -11.928 -9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.213 -12.770 -9.111 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.876 -12.790 -7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.375 -11.907 -7.564 1.00 0.00 H new ATOM 1436 N HIS A 93 -2.351 -8.443 -6.477 1.00 0.00 N ATOM 1437 CA HIS A 93 -3.158 -8.028 -5.343 1.00 0.00 C ATOM 1438 C HIS A 93 -4.459 -7.510 -5.950 1.00 0.00 C ATOM 1439 O HIS A 93 -4.472 -6.456 -6.589 1.00 0.00 O ATOM 1440 CB HIS A 93 -2.375 -6.988 -4.522 1.00 0.00 C ATOM 1441 CG HIS A 93 -3.002 -6.443 -3.249 1.00 0.00 C ATOM 1442 ND1 HIS A 93 -2.283 -5.922 -2.183 1.00 0.00 N ATOM 1443 CD2 HIS A 93 -4.334 -6.349 -2.931 1.00 0.00 C ATOM 1444 CE1 HIS A 93 -3.161 -5.507 -1.251 1.00 0.00 C ATOM 1445 NE2 HIS A 93 -4.406 -5.766 -1.680 1.00 0.00 N ATOM 0 H HIS A 93 -2.087 -7.666 -7.083 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.390 -8.826 -4.637 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.416 -7.432 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.164 -6.142 -5.175 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -1.267 -5.864 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -5.166 -6.669 -3.541 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.905 -5.041 -0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.264 -5.565 -1.167 1.00 0.00 H new ATOM 1454 N VAL A 94 -5.537 -8.274 -5.775 1.00 0.00 N ATOM 1455 CA VAL A 94 -6.885 -7.879 -6.143 1.00 0.00 C ATOM 1456 C VAL A 94 -7.542 -7.328 -4.877 1.00 0.00 C ATOM 1457 O VAL A 94 -7.378 -7.877 -3.784 1.00 0.00 O ATOM 1458 CB VAL A 94 -7.622 -9.060 -6.796 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -9.128 -8.809 -6.890 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -7.083 -9.298 -8.209 1.00 0.00 C ATOM 0 H VAL A 94 -5.490 -9.206 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.907 -7.095 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.450 -9.933 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.611 -9.667 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.536 -8.663 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.312 -7.918 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.611 -10.136 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.236 -8.403 -8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.018 -9.524 -8.159 1.00 0.00 H new ATOM 1470 N GLN A 95 -8.175 -6.166 -5.018 1.00 0.00 N ATOM 1471 CA GLN A 95 -8.529 -5.282 -3.927 1.00 0.00 C ATOM 1472 C GLN A 95 -10.009 -4.928 -4.078 1.00 0.00 C ATOM 1473 O GLN A 95 -10.362 -4.105 -4.923 1.00 0.00 O ATOM 1474 CB GLN A 95 -7.609 -4.063 -4.040 1.00 0.00 C ATOM 1475 CG GLN A 95 -7.715 -3.076 -2.878 1.00 0.00 C ATOM 1476 CD GLN A 95 -6.935 -3.598 -1.683 1.00 0.00 C ATOM 1477 OE1 GLN A 95 -5.771 -3.261 -1.485 1.00 0.00 O ATOM 1478 NE2 GLN A 95 -7.520 -4.516 -0.926 1.00 0.00 N ATOM 0 H GLN A 95 -8.462 -5.808 -5.929 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.398 -5.726 -2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.578 -4.408 -4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.836 -3.538 -4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.327 -2.103 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.761 -2.932 -2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.488 -4.784 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.002 -4.955 -0.165 1.00 0.00 H new ATOM 1487 N LYS A 96 -10.871 -5.605 -3.313 1.00 0.00 N ATOM 1488 CA LYS A 96 -12.294 -5.720 -3.598 1.00 0.00 C ATOM 1489 C LYS A 96 -13.137 -5.014 -2.544 1.00 0.00 C ATOM 1490 O LYS A 96 -13.229 -5.500 -1.421 1.00 0.00 O ATOM 1491 CB LYS A 96 -12.655 -7.210 -3.702 1.00 0.00 C ATOM 1492 CG LYS A 96 -14.068 -7.368 -4.267 1.00 0.00 C ATOM 1493 CD LYS A 96 -14.400 -8.836 -4.583 1.00 0.00 C ATOM 1494 CE LYS A 96 -15.692 -8.976 -5.408 1.00 0.00 C ATOM 1495 NZ LYS A 96 -15.722 -8.015 -6.529 1.00 0.00 N ATOM 0 H LYS A 96 -10.588 -6.095 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.512 -5.227 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.938 -7.722 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.593 -7.677 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.791 -6.979 -3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.165 -6.771 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.571 -9.284 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.504 -9.392 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.770 -9.992 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.556 -8.813 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.505 -8.254 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.860 -7.053 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.822 -8.060 -7.049 1.00 0.00 H new ATOM 1509 N TRP A 97 -13.787 -3.903 -2.902 1.00 0.00 N ATOM 1510 CA TRP A 97 -14.659 -3.191 -1.973 1.00 0.00 C ATOM 1511 C TRP A 97 -16.124 -3.576 -2.149 1.00 0.00 C ATOM 1512 O TRP A 97 -16.892 -3.485 -1.195 1.00 0.00 O ATOM 1513 CB TRP A 97 -14.441 -1.682 -2.073 1.00 0.00 C ATOM 1514 CG TRP A 97 -14.523 -1.072 -3.431 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -15.663 -0.720 -4.057 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -13.437 -0.677 -4.319 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -15.361 -0.098 -5.245 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -14.002 -0.052 -5.468 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -12.031 -0.746 -4.255 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -13.217 0.467 -6.507 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -11.233 -0.193 -5.271 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -11.820 0.378 -6.413 1.00 0.00 C ATOM 0 H TRP A 97 -13.724 -3.480 -3.828 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.386 -3.497 -0.963 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.177 -1.191 -1.437 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -13.459 -1.454 -1.659 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.660 -0.899 -3.683 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.058 0.283 -5.884 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -11.560 -1.231 -3.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -13.680 0.928 -7.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -10.158 -0.207 -5.173 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -11.198 0.747 -7.215 1.00 0.00 H new ATOM 1533 N ASN A 98 -16.537 -3.999 -3.349 1.00 0.00 N ATOM 1534 CA ASN A 98 -17.908 -4.444 -3.567 1.00 0.00 C ATOM 1535 C ASN A 98 -17.962 -5.397 -4.761 1.00 0.00 C ATOM 1536 O ASN A 98 -17.029 -6.176 -4.972 1.00 0.00 O ATOM 1537 CB ASN A 98 -18.882 -3.245 -3.639 1.00 0.00 C ATOM 1538 CG ASN A 98 -18.806 -2.386 -4.904 1.00 0.00 C ATOM 1539 OD1 ASN A 98 -18.000 -2.608 -5.804 1.00 0.00 O ATOM 1540 ND2 ASN A 98 -19.681 -1.391 -4.999 1.00 0.00 N ATOM 0 H ASN A 98 -15.942 -4.041 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 98 -18.256 -5.021 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -19.899 -3.624 -3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -18.699 -2.603 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -19.690 -0.798 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -20.343 -1.220 -4.242 1.00 0.00 H new ATOM 1547 N GLY A 99 -19.038 -5.331 -5.552 1.00 0.00 N ATOM 1548 CA GLY A 99 -19.149 -6.014 -6.828 1.00 0.00 C ATOM 1549 C GLY A 99 -17.856 -5.896 -7.632 1.00 0.00 C ATOM 1550 O GLY A 99 -17.409 -6.895 -8.191 1.00 0.00 O ATOM 0 H GLY A 99 -19.868 -4.789 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.382 -7.066 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.975 -5.591 -7.399 1.00 0.00 H new ATOM 1554 N GLN A 100 -17.235 -4.708 -7.622 1.00 0.00 N ATOM 1555 CA GLN A 100 -15.981 -4.429 -8.309 1.00 0.00 C ATOM 1556 C GLN A 100 -14.767 -4.538 -7.373 1.00 0.00 C ATOM 1557 O GLN A 100 -14.899 -4.645 -6.149 1.00 0.00 O ATOM 1558 CB GLN A 100 -16.058 -3.027 -8.934 1.00 0.00 C ATOM 1559 CG GLN A 100 -15.590 -1.936 -7.962 1.00 0.00 C ATOM 1560 CD GLN A 100 -16.293 -0.615 -8.208 1.00 0.00 C ATOM 1561 OE1 GLN A 100 -15.788 0.248 -8.923 1.00 0.00 O ATOM 1562 NE2 GLN A 100 -17.438 -0.436 -7.558 1.00 0.00 N ATOM 0 H GLN A 100 -17.605 -3.900 -7.122 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.841 -5.179 -9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.444 -2.998 -9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.084 -2.823 -9.241 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.775 -2.260 -6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.514 -1.798 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.816 -1.184 -6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.938 0.449 -7.641 1.00 0.00 H new ATOM 1571 N GLU A 101 -13.586 -4.388 -7.971 1.00 0.00 N ATOM 1572 CA GLU A 101 -12.289 -4.308 -7.331 1.00 0.00 C ATOM 1573 C GLU A 101 -11.431 -3.313 -8.109 1.00 0.00 C ATOM 1574 O GLU A 101 -11.766 -2.955 -9.240 1.00 0.00 O ATOM 1575 CB GLU A 101 -11.612 -5.695 -7.315 1.00 0.00 C ATOM 1576 CG GLU A 101 -11.955 -6.589 -8.520 1.00 0.00 C ATOM 1577 CD GLU A 101 -13.217 -7.390 -8.246 1.00 0.00 C ATOM 1578 OE1 GLU A 101 -13.185 -8.247 -7.341 1.00 0.00 O ATOM 1579 OE2 GLU A 101 -14.283 -7.079 -8.812 1.00 0.00 O ATOM 0 H GLU A 101 -13.514 -4.315 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.404 -3.977 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.531 -5.557 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.899 -6.214 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.093 -5.974 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.125 -7.265 -8.726 1.00 0.00 H new ATOM 1586 N THR A 102 -10.304 -2.911 -7.519 1.00 0.00 N ATOM 1587 CA THR A 102 -9.122 -2.558 -8.292 1.00 0.00 C ATOM 1588 C THR A 102 -8.203 -3.779 -8.273 1.00 0.00 C ATOM 1589 O THR A 102 -8.192 -4.537 -7.304 1.00 0.00 O ATOM 1590 CB THR A 102 -8.457 -1.274 -7.762 1.00 0.00 C ATOM 1591 OG1 THR A 102 -7.356 -0.921 -8.567 1.00 0.00 O ATOM 1592 CG2 THR A 102 -7.921 -1.359 -6.337 1.00 0.00 C ATOM 0 H THR A 102 -10.189 -2.823 -6.509 1.00 0.00 H new ATOM 0 HA THR A 102 -9.379 -2.317 -9.323 1.00 0.00 H new ATOM 0 HB THR A 102 -9.263 -0.540 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.897 -0.149 -8.174 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.473 -0.405 -6.059 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.739 -1.588 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.168 -2.144 -6.278 1.00 0.00 H new ATOM 1600 N SER A 103 -7.443 -3.981 -9.346 1.00 0.00 N ATOM 1601 CA SER A 103 -6.458 -5.044 -9.452 1.00 0.00 C ATOM 1602 C SER A 103 -5.107 -4.378 -9.660 1.00 0.00 C ATOM 1603 O SER A 103 -5.029 -3.384 -10.384 1.00 0.00 O ATOM 1604 CB SER A 103 -6.844 -5.987 -10.596 1.00 0.00 C ATOM 1605 OG SER A 103 -6.965 -5.295 -11.821 1.00 0.00 O ATOM 0 H SER A 103 -7.499 -3.397 -10.180 1.00 0.00 H new ATOM 0 HA SER A 103 -6.412 -5.659 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.092 -6.770 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.788 -6.479 -10.360 1.00 0.00 H new ATOM 0 HG SER A 103 -7.113 -4.342 -11.645 1.00 0.00 H new ATOM 1611 N LEU A 104 -4.058 -4.853 -8.983 1.00 0.00 N ATOM 1612 CA LEU A 104 -2.766 -4.196 -9.054 1.00 0.00 C ATOM 1613 C LEU A 104 -1.628 -5.195 -8.851 1.00 0.00 C ATOM 1614 O LEU A 104 -1.742 -6.120 -8.045 1.00 0.00 O ATOM 1615 CB LEU A 104 -2.745 -2.931 -8.170 1.00 0.00 C ATOM 1616 CG LEU A 104 -3.530 -2.958 -6.843 1.00 0.00 C ATOM 1617 CD1 LEU A 104 -2.759 -3.660 -5.731 1.00 0.00 C ATOM 1618 CD2 LEU A 104 -3.828 -1.528 -6.381 1.00 0.00 C ATOM 0 H LEU A 104 -4.084 -5.681 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.590 -3.814 -10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.705 -2.704 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.126 -2.102 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.451 -3.509 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.352 -3.654 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.555 -4.690 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.818 -3.139 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.383 -1.557 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.891 -0.991 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.422 -1.017 -7.139 1.00 0.00 H new ATOM 1630 N VAL A 105 -0.571 -5.047 -9.660 1.00 0.00 N ATOM 1631 CA VAL A 105 0.460 -6.059 -9.873 1.00 0.00 C ATOM 1632 C VAL A 105 1.849 -5.439 -9.716 1.00 0.00 C ATOM 1633 O VAL A 105 2.185 -4.555 -10.499 1.00 0.00 O ATOM 1634 CB VAL A 105 0.294 -6.693 -11.274 1.00 0.00 C ATOM 1635 CG1 VAL A 105 -0.884 -7.667 -11.290 1.00 0.00 C ATOM 1636 CG2 VAL A 105 0.080 -5.695 -12.423 1.00 0.00 C ATOM 0 H VAL A 105 -0.409 -4.195 -10.197 1.00 0.00 H new ATOM 0 HA VAL A 105 0.352 -6.844 -9.124 1.00 0.00 H new ATOM 0 HB VAL A 105 1.246 -7.194 -11.449 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.983 -8.102 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.710 -8.460 -10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.800 -7.134 -11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.025 -6.238 -13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.823 -5.114 -12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.936 -5.024 -12.486 1.00 0.00 H new ATOM 1646 N ARG A 106 2.650 -5.883 -8.734 1.00 0.00 N ATOM 1647 CA ARG A 106 4.063 -5.504 -8.635 1.00 0.00 C ATOM 1648 C ARG A 106 4.938 -6.657 -9.126 1.00 0.00 C ATOM 1649 O ARG A 106 4.690 -7.804 -8.747 1.00 0.00 O ATOM 1650 CB ARG A 106 4.497 -5.191 -7.189 1.00 0.00 C ATOM 1651 CG ARG A 106 4.187 -3.786 -6.673 1.00 0.00 C ATOM 1652 CD ARG A 106 2.818 -3.680 -6.000 1.00 0.00 C ATOM 1653 NE ARG A 106 2.635 -2.314 -5.482 1.00 0.00 N ATOM 1654 CZ ARG A 106 1.467 -1.752 -5.139 1.00 0.00 C ATOM 1655 NH1 ARG A 106 0.337 -2.457 -5.228 1.00 0.00 N ATOM 1656 NH2 ARG A 106 1.436 -0.484 -4.711 1.00 0.00 N ATOM 0 H ARG A 106 2.337 -6.510 -7.993 1.00 0.00 H new ATOM 0 HA ARG A 106 4.184 -4.607 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.018 -5.911 -6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.572 -5.353 -7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.958 -3.489 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.231 -3.083 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.030 -3.919 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.742 -4.403 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 106 3.473 -1.743 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.363 -3.422 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.552 -2.030 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.300 0.054 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.548 -0.055 -4.450 1.00 0.00 H new ATOM 1670 N GLU A 107 6.002 -6.327 -9.869 1.00 0.00 N ATOM 1671 CA GLU A 107 7.206 -7.145 -9.960 1.00 0.00 C ATOM 1672 C GLU A 107 8.390 -6.237 -10.302 1.00 0.00 C ATOM 1673 O GLU A 107 8.182 -5.157 -10.862 1.00 0.00 O ATOM 1674 CB GLU A 107 7.028 -8.267 -10.995 1.00 0.00 C ATOM 1675 CG GLU A 107 8.200 -9.261 -11.011 1.00 0.00 C ATOM 1676 CD GLU A 107 8.530 -9.763 -9.613 1.00 0.00 C ATOM 1677 OE1 GLU A 107 7.768 -10.610 -9.101 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.499 -9.206 -9.052 1.00 0.00 O ATOM 0 H GLU A 107 6.046 -5.475 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 107 7.398 -7.631 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.105 -8.806 -10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.919 -7.826 -11.986 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.951 -10.107 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.079 -8.781 -11.442 1.00 0.00 H new ATOM 1685 N MET A 108 9.613 -6.653 -9.954 1.00 0.00 N ATOM 1686 CA MET A 108 10.839 -5.973 -10.337 1.00 0.00 C ATOM 1687 C MET A 108 11.351 -6.571 -11.642 1.00 0.00 C ATOM 1688 O MET A 108 11.725 -7.741 -11.673 1.00 0.00 O ATOM 1689 CB MET A 108 11.907 -6.091 -9.240 1.00 0.00 C ATOM 1690 CG MET A 108 13.161 -5.279 -9.595 1.00 0.00 C ATOM 1691 SD MET A 108 14.571 -5.586 -8.500 1.00 0.00 S ATOM 1692 CE MET A 108 15.742 -4.376 -9.166 1.00 0.00 C ATOM 0 H MET A 108 9.773 -7.487 -9.389 1.00 0.00 H new ATOM 0 HA MET A 108 10.626 -4.913 -10.475 1.00 0.00 H new ATOM 0 HB2 MET A 108 11.499 -5.739 -8.292 1.00 0.00 H new ATOM 0 HB3 MET A 108 12.176 -7.138 -9.102 1.00 0.00 H new ATOM 0 HG2 MET A 108 13.453 -5.510 -10.620 1.00 0.00 H new ATOM 0 HG3 MET A 108 12.915 -4.218 -9.565 1.00 0.00 H new ATOM 0 HE1 MET A 108 16.675 -4.426 -8.605 1.00 0.00 H new ATOM 0 HE2 MET A 108 15.936 -4.597 -10.215 1.00 0.00 H new ATOM 0 HE3 MET A 108 15.320 -3.375 -9.079 1.00 0.00 H new ATOM 1702 N VAL A 109 11.458 -5.756 -12.690 1.00 0.00 N ATOM 1703 CA VAL A 109 12.190 -6.116 -13.898 1.00 0.00 C ATOM 1704 C VAL A 109 12.939 -4.874 -14.372 1.00 0.00 C ATOM 1705 O VAL A 109 12.732 -3.792 -13.816 1.00 0.00 O ATOM 1706 CB VAL A 109 11.272 -6.730 -14.975 1.00 0.00 C ATOM 1707 CG1 VAL A 109 10.742 -8.102 -14.548 1.00 0.00 C ATOM 1708 CG2 VAL A 109 10.077 -5.841 -15.321 1.00 0.00 C ATOM 0 H VAL A 109 11.038 -4.827 -12.723 1.00 0.00 H new ATOM 0 HA VAL A 109 12.911 -6.905 -13.684 1.00 0.00 H new ATOM 0 HB VAL A 109 11.900 -6.829 -15.860 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.099 -8.504 -15.331 1.00 0.00 H new ATOM 0 HG12 VAL A 109 11.579 -8.780 -14.382 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.170 -8.000 -13.626 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.470 -6.328 -16.084 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.474 -5.677 -14.428 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.434 -4.883 -15.698 1.00 0.00 H new ATOM 1718 N ASP A 110 13.834 -5.048 -15.353 1.00 0.00 N ATOM 1719 CA ASP A 110 14.761 -4.024 -15.820 1.00 0.00 C ATOM 1720 C ASP A 110 15.643 -3.558 -14.655 1.00 0.00 C ATOM 1721 O ASP A 110 16.709 -4.121 -14.413 1.00 0.00 O ATOM 1722 CB ASP A 110 13.994 -2.895 -16.527 1.00 0.00 C ATOM 1723 CG ASP A 110 14.870 -1.674 -16.749 1.00 0.00 C ATOM 1724 OD1 ASP A 110 15.819 -1.796 -17.550 1.00 0.00 O ATOM 1725 OD2 ASP A 110 14.581 -0.656 -16.082 1.00 0.00 O ATOM 0 H ASP A 110 13.931 -5.931 -15.854 1.00 0.00 H new ATOM 0 HA ASP A 110 15.439 -4.431 -16.571 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.620 -3.254 -17.486 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.125 -2.616 -15.931 1.00 0.00 H new ATOM 1730 N GLY A 111 15.154 -2.591 -13.885 1.00 0.00 N ATOM 1731 CA GLY A 111 15.752 -2.130 -12.646 1.00 0.00 C ATOM 1732 C GLY A 111 14.741 -1.326 -11.832 1.00 0.00 C ATOM 1733 O GLY A 111 15.132 -0.481 -11.031 1.00 0.00 O ATOM 0 H GLY A 111 14.297 -2.090 -14.120 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.101 -2.983 -12.064 1.00 0.00 H new ATOM 0 HA3 GLY A 111 16.625 -1.514 -12.863 1.00 0.00 H new ATOM 1737 N LYS A 112 13.443 -1.589 -12.020 1.00 0.00 N ATOM 1738 CA LYS A 112 12.363 -0.842 -11.399 1.00 0.00 C ATOM 1739 C LYS A 112 11.290 -1.837 -10.970 1.00 0.00 C ATOM 1740 O LYS A 112 11.173 -2.908 -11.564 1.00 0.00 O ATOM 1741 CB LYS A 112 11.776 0.163 -12.404 1.00 0.00 C ATOM 1742 CG LYS A 112 12.706 1.354 -12.680 1.00 0.00 C ATOM 1743 CD LYS A 112 12.048 2.307 -13.692 1.00 0.00 C ATOM 1744 CE LYS A 112 12.890 3.578 -13.883 1.00 0.00 C ATOM 1745 NZ LYS A 112 12.301 4.501 -14.878 1.00 0.00 N ATOM 0 H LYS A 112 13.116 -2.344 -12.622 1.00 0.00 H new ATOM 0 HA LYS A 112 12.732 -0.288 -10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.566 -0.351 -13.342 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.824 0.534 -12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.917 1.885 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.661 0.999 -13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.928 1.799 -14.649 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.050 2.577 -13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.988 4.093 -12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.895 3.300 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.877 5.365 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.278 4.039 -15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.333 4.749 -14.591 1.00 0.00 H new ATOM 1759 N LEU A 113 10.494 -1.479 -9.960 1.00 0.00 N ATOM 1760 CA LEU A 113 9.217 -2.131 -9.731 1.00 0.00 C ATOM 1761 C LEU A 113 8.287 -1.588 -10.808 1.00 0.00 C ATOM 1762 O LEU A 113 8.034 -0.381 -10.849 1.00 0.00 O ATOM 1763 CB LEU A 113 8.665 -1.838 -8.324 1.00 0.00 C ATOM 1764 CG LEU A 113 8.104 -3.042 -7.556 1.00 0.00 C ATOM 1765 CD1 LEU A 113 9.147 -4.115 -7.268 1.00 0.00 C ATOM 1766 CD2 LEU A 113 7.581 -2.552 -6.205 1.00 0.00 C ATOM 0 H LEU A 113 10.717 -0.741 -9.292 1.00 0.00 H new ATOM 0 HA LEU A 113 9.315 -3.215 -9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.462 -1.392 -7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.877 -1.090 -8.413 1.00 0.00 H new ATOM 0 HG LEU A 113 7.328 -3.481 -8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.683 -4.937 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.555 -4.487 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.951 -3.689 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.178 -3.395 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.397 -2.098 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.796 -1.813 -6.365 1.00 0.00 H new ATOM 1778 N ILE A 114 7.800 -2.467 -11.678 1.00 0.00 N ATOM 1779 CA ILE A 114 6.727 -2.152 -12.600 1.00 0.00 C ATOM 1780 C ILE A 114 5.456 -2.366 -11.785 1.00 0.00 C ATOM 1781 O ILE A 114 5.254 -3.468 -11.270 1.00 0.00 O ATOM 1782 CB ILE A 114 6.806 -3.073 -13.836 1.00 0.00 C ATOM 1783 CG1 ILE A 114 7.916 -2.652 -14.819 1.00 0.00 C ATOM 1784 CG2 ILE A 114 5.482 -3.074 -14.616 1.00 0.00 C ATOM 1785 CD1 ILE A 114 9.320 -2.579 -14.212 1.00 0.00 C ATOM 0 H ILE A 114 8.145 -3.423 -11.760 1.00 0.00 H new ATOM 0 HA ILE A 114 6.772 -1.136 -12.993 1.00 0.00 H new ATOM 0 HB ILE A 114 7.026 -4.065 -13.443 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.931 -3.357 -15.650 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.664 -1.676 -15.233 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.570 -3.732 -15.481 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.679 -3.429 -13.970 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.257 -2.062 -14.952 1.00 0.00 H new ATOM 0 HD11 ILE A 114 10.033 -2.275 -14.979 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.328 -1.852 -13.400 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.600 -3.558 -13.824 1.00 0.00 H new ATOM 1797 N LEU A 115 4.630 -1.325 -11.632 1.00 0.00 N ATOM 1798 CA LEU A 115 3.352 -1.414 -10.949 1.00 0.00 C ATOM 1799 C LEU A 115 2.259 -0.978 -11.920 1.00 0.00 C ATOM 1800 O LEU A 115 2.096 0.207 -12.193 1.00 0.00 O ATOM 1801 CB LEU A 115 3.395 -0.612 -9.635 1.00 0.00 C ATOM 1802 CG LEU A 115 2.145 -0.704 -8.732 1.00 0.00 C ATOM 1803 CD1 LEU A 115 1.057 0.330 -9.043 1.00 0.00 C ATOM 1804 CD2 LEU A 115 1.512 -2.095 -8.726 1.00 0.00 C ATOM 0 H LEU A 115 4.840 -0.391 -11.985 1.00 0.00 H new ATOM 0 HA LEU A 115 3.126 -2.437 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.258 -0.946 -9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.563 0.437 -9.880 1.00 0.00 H new ATOM 0 HG LEU A 115 2.543 -0.482 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.218 0.191 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.463 1.334 -8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.715 0.201 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.639 -2.095 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.208 -2.361 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.237 -2.823 -8.362 1.00 0.00 H new ATOM 1816 N THR A 116 1.497 -1.932 -12.452 1.00 0.00 N ATOM 1817 CA THR A 116 0.272 -1.597 -13.164 1.00 0.00 C ATOM 1818 C THR A 116 -0.862 -1.697 -12.152 1.00 0.00 C ATOM 1819 O THR A 116 -0.929 -2.682 -11.413 1.00 0.00 O ATOM 1820 CB THR A 116 0.078 -2.512 -14.378 1.00 0.00 C ATOM 1821 OG1 THR A 116 1.230 -2.429 -15.191 1.00 0.00 O ATOM 1822 CG2 THR A 116 -1.129 -2.085 -15.219 1.00 0.00 C ATOM 0 H THR A 116 1.705 -2.929 -12.403 1.00 0.00 H new ATOM 0 HA THR A 116 0.306 -0.587 -13.573 1.00 0.00 H new ATOM 0 HB THR A 116 -0.089 -3.527 -14.017 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.122 -3.011 -15.972 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.235 -2.757 -16.071 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.031 -2.128 -14.609 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.981 -1.066 -15.577 1.00 0.00 H new ATOM 1830 N LEU A 117 -1.723 -0.677 -12.104 1.00 0.00 N ATOM 1831 CA LEU A 117 -2.974 -0.725 -11.371 1.00 0.00 C ATOM 1832 C LEU A 117 -4.114 -0.481 -12.364 1.00 0.00 C ATOM 1833 O LEU A 117 -4.024 0.403 -13.217 1.00 0.00 O ATOM 1834 CB LEU A 117 -2.929 0.166 -10.109 1.00 0.00 C ATOM 1835 CG LEU A 117 -2.315 1.575 -10.201 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -3.257 2.553 -10.893 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -2.041 2.139 -8.798 1.00 0.00 C ATOM 0 H LEU A 117 -1.562 0.211 -12.580 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.162 -1.708 -10.940 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.952 0.278 -9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.380 -0.381 -9.342 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.392 1.472 -10.772 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.790 3.537 -10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.467 2.203 -11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.189 2.620 -10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.607 3.135 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.976 2.197 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.345 1.485 -8.272 1.00 0.00 H new ATOM 1849 N THR A 118 -5.133 -1.345 -12.337 1.00 0.00 N ATOM 1850 CA THR A 118 -6.232 -1.309 -13.285 1.00 0.00 C ATOM 1851 C THR A 118 -7.552 -1.627 -12.577 1.00 0.00 C ATOM 1852 O THR A 118 -7.649 -2.568 -11.783 1.00 0.00 O ATOM 1853 CB THR A 118 -5.913 -2.192 -14.504 1.00 0.00 C ATOM 1854 OG1 THR A 118 -6.835 -1.956 -15.543 1.00 0.00 O ATOM 1855 CG2 THR A 118 -5.884 -3.690 -14.213 1.00 0.00 C ATOM 0 H THR A 118 -5.212 -2.093 -11.648 1.00 0.00 H new ATOM 0 HA THR A 118 -6.359 -0.304 -13.688 1.00 0.00 H new ATOM 0 HB THR A 118 -4.904 -1.904 -14.798 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.616 -2.525 -16.310 1.00 0.00 H new ATOM 0 HG21 THR A 118 -5.652 -4.234 -15.129 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.122 -3.900 -13.463 1.00 0.00 H new ATOM 0 HG23 THR A 118 -6.858 -4.007 -13.840 1.00 0.00 H new ATOM 1863 N HIS A 119 -8.550 -0.785 -12.848 1.00 0.00 N ATOM 1864 CA HIS A 119 -9.897 -0.786 -12.306 1.00 0.00 C ATOM 1865 C HIS A 119 -10.830 -0.966 -13.506 1.00 0.00 C ATOM 1866 O HIS A 119 -10.401 -0.812 -14.647 1.00 0.00 O ATOM 1867 CB HIS A 119 -10.085 0.558 -11.574 1.00 0.00 C ATOM 1868 CG HIS A 119 -11.491 0.978 -11.206 1.00 0.00 C ATOM 1869 ND1 HIS A 119 -12.039 2.229 -11.443 1.00 0.00 N ATOM 1870 CD2 HIS A 119 -12.398 0.255 -10.479 1.00 0.00 C ATOM 1871 CE1 HIS A 119 -13.269 2.251 -10.897 1.00 0.00 C ATOM 1872 NE2 HIS A 119 -13.511 1.059 -10.318 1.00 0.00 N ATOM 0 H HIS A 119 -8.418 -0.021 -13.511 1.00 0.00 H new ATOM 0 HA HIS A 119 -10.103 -1.580 -11.588 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.496 0.524 -10.657 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.656 1.341 -12.199 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -12.269 -0.749 -10.104 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -13.951 3.088 -10.919 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.372 0.794 -9.840 1.00 0.00 H new ATOM 1881 N GLY A 120 -12.102 -1.298 -13.273 1.00 0.00 N ATOM 1882 CA GLY A 120 -13.074 -1.500 -14.341 1.00 0.00 C ATOM 1883 C GLY A 120 -13.495 -0.180 -14.994 1.00 0.00 C ATOM 1884 O GLY A 120 -14.654 0.205 -14.880 1.00 0.00 O ATOM 0 H GLY A 120 -12.484 -1.434 -12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.649 -2.159 -15.098 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.954 -2.002 -13.939 1.00 0.00 H new ATOM 1888 N THR A 121 -12.547 0.494 -15.657 1.00 0.00 N ATOM 1889 CA THR A 121 -12.654 1.678 -16.509 1.00 0.00 C ATOM 1890 C THR A 121 -11.289 2.381 -16.537 1.00 0.00 C ATOM 1891 O THR A 121 -10.668 2.499 -17.590 1.00 0.00 O ATOM 1892 CB THR A 121 -13.834 2.618 -16.166 1.00 0.00 C ATOM 1893 OG1 THR A 121 -13.852 3.689 -17.088 1.00 0.00 O ATOM 1894 CG2 THR A 121 -13.816 3.201 -14.744 1.00 0.00 C ATOM 0 H THR A 121 -11.577 0.184 -15.600 1.00 0.00 H new ATOM 0 HA THR A 121 -12.910 1.350 -17.517 1.00 0.00 H new ATOM 0 HB THR A 121 -14.728 1.997 -16.226 1.00 0.00 H new ATOM 0 HG1 THR A 121 -14.598 4.289 -16.878 1.00 0.00 H new ATOM 0 HG21 THR A 121 -14.684 3.845 -14.604 1.00 0.00 H new ATOM 0 HG22 THR A 121 -13.846 2.389 -14.017 1.00 0.00 H new ATOM 0 HG23 THR A 121 -12.905 3.783 -14.601 1.00 0.00 H new ATOM 1902 N ALA A 122 -10.797 2.807 -15.369 1.00 0.00 N ATOM 1903 CA ALA A 122 -9.529 3.516 -15.248 1.00 0.00 C ATOM 1904 C ALA A 122 -8.372 2.516 -15.232 1.00 0.00 C ATOM 1905 O ALA A 122 -8.459 1.486 -14.560 1.00 0.00 O ATOM 1906 CB ALA A 122 -9.533 4.384 -13.985 1.00 0.00 C ATOM 0 H ALA A 122 -11.274 2.666 -14.478 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.396 4.173 -16.108 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.582 4.910 -13.902 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.345 5.109 -14.044 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.675 3.751 -13.109 1.00 0.00 H new ATOM 1912 N VAL A 123 -7.292 2.822 -15.956 1.00 0.00 N ATOM 1913 CA VAL A 123 -6.121 1.970 -16.117 1.00 0.00 C ATOM 1914 C VAL A 123 -4.891 2.861 -15.970 1.00 0.00 C ATOM 1915 O VAL A 123 -4.867 3.946 -16.549 1.00 0.00 O ATOM 1916 CB VAL A 123 -6.142 1.322 -17.512 1.00 0.00 C ATOM 1917 CG1 VAL A 123 -4.995 0.327 -17.679 1.00 0.00 C ATOM 1918 CG2 VAL A 123 -7.455 0.594 -17.797 1.00 0.00 C ATOM 0 H VAL A 123 -7.211 3.703 -16.463 1.00 0.00 H new ATOM 0 HA VAL A 123 -6.109 1.174 -15.372 1.00 0.00 H new ATOM 0 HB VAL A 123 -6.032 2.142 -18.221 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -5.038 -0.114 -18.675 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -4.044 0.844 -17.551 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -5.084 -0.460 -16.930 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -7.418 0.154 -18.794 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -7.602 -0.194 -17.058 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -8.282 1.301 -17.743 1.00 0.00 H new ATOM 1928 N CYS A 124 -3.877 2.452 -15.198 1.00 0.00 N ATOM 1929 CA CYS A 124 -2.726 3.314 -14.973 1.00 0.00 C ATOM 1930 C CYS A 124 -1.465 2.539 -14.599 1.00 0.00 C ATOM 1931 O CYS A 124 -1.437 1.793 -13.622 1.00 0.00 O ATOM 1932 CB CYS A 124 -3.110 4.372 -13.937 1.00 0.00 C ATOM 1933 SG CYS A 124 -1.679 5.089 -13.082 1.00 0.00 S ATOM 0 H CYS A 124 -3.835 1.547 -14.730 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.463 3.811 -15.907 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.667 5.169 -14.430 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -3.778 3.925 -13.201 1.00 0.00 H new ATOM 0 HG CYS A 124 -1.169 6.038 -13.810 1.00 0.00 H new ATOM 1939 N THR A 125 -0.386 2.807 -15.333 1.00 0.00 N ATOM 1940 CA THR A 125 0.950 2.369 -14.995 1.00 0.00 C ATOM 1941 C THR A 125 1.514 3.281 -13.905 1.00 0.00 C ATOM 1942 O THR A 125 1.097 4.433 -13.752 1.00 0.00 O ATOM 1943 CB THR A 125 1.794 2.415 -16.274 1.00 0.00 C ATOM 1944 OG1 THR A 125 1.446 3.565 -17.022 1.00 0.00 O ATOM 1945 CG2 THR A 125 1.497 1.202 -17.156 1.00 0.00 C ATOM 0 H THR A 125 -0.427 3.348 -16.197 1.00 0.00 H new ATOM 0 HA THR A 125 0.955 1.351 -14.606 1.00 0.00 H new ATOM 0 HB THR A 125 2.845 2.427 -15.986 1.00 0.00 H new ATOM 0 HG1 THR A 125 1.985 3.599 -17.840 1.00 0.00 H new ATOM 0 HG21 THR A 125 2.105 1.251 -18.059 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.732 0.289 -16.610 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.442 1.200 -17.429 1.00 0.00 H new ATOM 1953 N ARG A 126 2.436 2.742 -13.119 1.00 0.00 N ATOM 1954 CA ARG A 126 3.100 3.368 -11.997 1.00 0.00 C ATOM 1955 C ARG A 126 4.446 2.645 -11.931 1.00 0.00 C ATOM 1956 O ARG A 126 4.500 1.439 -12.175 1.00 0.00 O ATOM 1957 CB ARG A 126 2.250 3.116 -10.736 1.00 0.00 C ATOM 1958 CG ARG A 126 1.848 4.356 -9.931 1.00 0.00 C ATOM 1959 CD ARG A 126 2.978 4.853 -9.026 1.00 0.00 C ATOM 1960 NE ARG A 126 2.454 5.800 -8.025 1.00 0.00 N ATOM 1961 CZ ARG A 126 3.042 6.064 -6.847 1.00 0.00 C ATOM 1962 NH1 ARG A 126 4.258 5.579 -6.588 1.00 0.00 N ATOM 1963 NH2 ARG A 126 2.421 6.820 -5.937 1.00 0.00 N ATOM 0 H ARG A 126 2.759 1.785 -13.265 1.00 0.00 H new ATOM 0 HA ARG A 126 3.232 4.447 -12.083 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.342 2.592 -11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.803 2.445 -10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.557 5.152 -10.616 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.974 4.124 -9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.450 4.008 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.748 5.337 -9.627 1.00 0.00 H new ATOM 0 HE ARG A 126 1.585 6.288 -8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.739 5.009 -7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 126 4.707 5.778 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.495 7.200 -6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.873 7.017 -5.044 1.00 0.00 H new ATOM 1977 N THR A 127 5.540 3.347 -11.659 1.00 0.00 N ATOM 1978 CA THR A 127 6.830 2.695 -11.528 1.00 0.00 C ATOM 1979 C THR A 127 7.529 3.208 -10.282 1.00 0.00 C ATOM 1980 O THR A 127 7.181 4.261 -9.736 1.00 0.00 O ATOM 1981 CB THR A 127 7.682 2.926 -12.777 1.00 0.00 C ATOM 1982 OG1 THR A 127 7.906 4.300 -12.875 1.00 0.00 O ATOM 1983 CG2 THR A 127 6.996 2.468 -14.064 1.00 0.00 C ATOM 0 H THR A 127 5.557 4.358 -11.527 1.00 0.00 H new ATOM 0 HA THR A 127 6.682 1.620 -11.429 1.00 0.00 H new ATOM 0 HB THR A 127 8.599 2.347 -12.673 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.048 4.773 -12.865 1.00 0.00 H new ATOM 0 HG21 THR A 127 7.652 2.659 -14.914 1.00 0.00 H new ATOM 0 HG22 THR A 127 6.783 1.401 -14.003 1.00 0.00 H new ATOM 0 HG23 THR A 127 6.064 3.017 -14.195 1.00 0.00 H new ATOM 1991 N TYR A 128 8.498 2.422 -9.830 1.00 0.00 N ATOM 1992 CA TYR A 128 9.171 2.611 -8.570 1.00 0.00 C ATOM 1993 C TYR A 128 10.624 2.195 -8.730 1.00 0.00 C ATOM 1994 O TYR A 128 10.898 1.225 -9.434 1.00 0.00 O ATOM 1995 CB TYR A 128 8.480 1.699 -7.559 1.00 0.00 C ATOM 1996 CG TYR A 128 7.294 2.301 -6.850 1.00 0.00 C ATOM 1997 CD1 TYR A 128 7.513 3.403 -6.016 1.00 0.00 C ATOM 1998 CD2 TYR A 128 6.025 1.692 -6.894 1.00 0.00 C ATOM 1999 CE1 TYR A 128 6.476 3.900 -5.223 1.00 0.00 C ATOM 2000 CE2 TYR A 128 5.012 2.132 -6.022 1.00 0.00 C ATOM 2001 CZ TYR A 128 5.278 3.177 -5.122 1.00 0.00 C ATOM 2002 OH TYR A 128 4.369 3.528 -4.171 1.00 0.00 O ATOM 0 H TYR A 128 8.840 1.615 -10.352 1.00 0.00 H new ATOM 0 HA TYR A 128 9.133 3.649 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.154 0.795 -8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.212 1.393 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.486 3.870 -5.985 1.00 0.00 H new ATOM 0 HD2 TYR A 128 5.830 0.892 -7.593 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.595 4.833 -4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.036 1.669 -6.045 1.00 0.00 H new ATOM 0 HH TYR A 128 4.837 3.781 -3.348 1.00 0.00 H new ATOM 2012 N GLU A 129 11.534 2.888 -8.045 1.00 0.00 N ATOM 2013 CA GLU A 129 12.958 2.577 -8.040 1.00 0.00 C ATOM 2014 C GLU A 129 13.421 2.484 -6.582 1.00 0.00 C ATOM 2015 O GLU A 129 13.003 3.299 -5.756 1.00 0.00 O ATOM 2016 CB GLU A 129 13.681 3.660 -8.846 1.00 0.00 C ATOM 2017 CG GLU A 129 15.048 3.210 -9.368 1.00 0.00 C ATOM 2018 CD GLU A 129 15.549 4.189 -10.421 1.00 0.00 C ATOM 2019 OE1 GLU A 129 14.962 4.171 -11.526 1.00 0.00 O ATOM 2020 OE2 GLU A 129 16.475 4.958 -10.091 1.00 0.00 O ATOM 0 H GLU A 129 11.295 3.695 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 129 13.184 1.620 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 129 13.056 3.955 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 129 13.811 4.544 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 129 15.760 3.152 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 129 14.973 2.210 -9.795 1.00 0.00 H new ATOM 2027 N LYS A 130 14.197 1.445 -6.239 1.00 0.00 N ATOM 2028 CA LYS A 130 14.566 1.169 -4.855 1.00 0.00 C ATOM 2029 C LYS A 130 15.710 2.089 -4.439 1.00 0.00 C ATOM 2030 O LYS A 130 16.823 1.946 -4.936 1.00 0.00 O ATOM 2031 CB LYS A 130 14.883 -0.321 -4.622 1.00 0.00 C ATOM 2032 CG LYS A 130 14.688 -0.665 -3.134 1.00 0.00 C ATOM 2033 CD LYS A 130 14.624 -2.166 -2.823 1.00 0.00 C ATOM 2034 CE LYS A 130 15.982 -2.872 -2.867 1.00 0.00 C ATOM 2035 NZ LYS A 130 15.848 -4.281 -2.446 1.00 0.00 N ATOM 0 H LYS A 130 14.580 0.781 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 130 13.710 1.382 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.232 -0.942 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 130 15.908 -0.537 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 130 15.506 -0.225 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.768 -0.197 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 130 14.187 -2.303 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 130 13.954 -2.646 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.390 -2.826 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 130 16.687 -2.357 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 16.756 -4.771 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 15.577 -4.319 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 15.116 -4.747 -3.020 1.00 0.00 H new ATOM 2049 N GLN A 131 15.446 3.029 -3.526 1.00 0.00 N ATOM 2050 CA GLN A 131 16.463 3.989 -3.112 1.00 0.00 C ATOM 2051 C GLN A 131 17.566 3.274 -2.328 1.00 0.00 C ATOM 2052 O GLN A 131 18.748 3.563 -2.487 1.00 0.00 O ATOM 2053 CB GLN A 131 15.833 5.166 -2.352 1.00 0.00 C ATOM 2054 CG GLN A 131 15.363 4.811 -0.936 1.00 0.00 C ATOM 2055 CD GLN A 131 14.486 5.905 -0.340 1.00 0.00 C ATOM 2056 OE1 GLN A 131 14.869 6.584 0.604 1.00 0.00 O ATOM 2057 NE2 GLN A 131 13.284 6.079 -0.881 1.00 0.00 N ATOM 0 H GLN A 131 14.543 3.142 -3.065 1.00 0.00 H new ATOM 0 HA GLN A 131 16.934 4.426 -3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 131 16.559 5.977 -2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 131 14.984 5.541 -2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.807 3.874 -0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 131 16.230 4.650 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 131 12.990 5.499 -1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 131 12.656 6.792 -0.510 1.00 0.00 H new ATOM 2066 N ALA A 132 17.174 2.311 -1.489 1.00 0.00 N ATOM 2067 CA ALA A 132 18.122 1.454 -0.798 1.00 0.00 C ATOM 2068 C ALA A 132 18.818 0.556 -1.820 1.00 0.00 C ATOM 2069 O ALA A 132 18.256 -0.460 -2.226 1.00 0.00 O ATOM 2070 CB ALA A 132 17.394 0.643 0.279 1.00 0.00 C ATOM 2071 OXT ALA A 132 20.075 0.884 -2.286 1.00 0.00 O ATOM 0 H ALA A 132 16.197 2.110 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 132 18.884 2.051 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 132 18.108 0.001 0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 132 16.932 1.322 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 132 16.624 0.028 -0.187 1.00 0.00 H new TER 2077 ALA A 132