USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1055 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 -5 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 77 GLN : amide:sc= -0.0409 K(o=1.6,f=0.99) USER MOD Set 1.3: A 79 HIS : no HE2:sc= 0.736 K(o=1.6,f=-0.73) USER MOD Set 1.4: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 100 LYS NZ :NH3+ 151:sc= 0.876 (180deg=0) USER MOD Set 2.1: A 73 TYR OH : rot 15:sc= 0.327 USER MOD Set 2.2: A -11 MET N :NH3+ -109:sc= 0.378 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 6:sc= 1.19 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 169:sc= 1.34 (180deg=1.18) USER MOD Set 4.1: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 113 THR OG1 : rot 140:sc= 0 USER MOD Set 5.1: A 12 MET CE :methyl 173:sc= 0 (180deg=-0.0555) USER MOD Set 5.2: A 13 SER OG : rot 24:sc= 0.33 USER MOD Set 6.1: A 6 ASN : amide:sc= 1.17 K(o=2.8,f=1.1) USER MOD Set 6.2: A 23 SER OG : rot -78:sc= 1.67 USER MOD Single : A 0 MET CE :methyl 170:sc= 0 (180deg=-0.157) USER MOD Single : A 8 TYR OH : rot 168:sc= 0.828 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 24 GLN : amide:sc= -0.146 K(o=-0.15,f=-3.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -76:sc= 1.25 USER MOD Single : A 50 GLN : amide:sc= 0.655 K(o=0.66,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= 2.45 (180deg=1.88) USER MOD Single : A 53 THR OG1 : rot -68:sc= 0.088 USER MOD Single : A 54 TYR OH : rot 157:sc= 0.131 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.23 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.19) USER MOD Single : A 68 MET CE :methyl -173:sc= 0 (180deg=-0.103) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= 1.08 (180deg=0.477) USER MOD Single : A 78 GLN : amide:sc= 2.06 K(o=2.1,f=-7.5!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 69:sc= 0.202 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A -11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0652 K(o=-0.065,f=-1.9!) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.13) USER MOD Single : A 106 TYR OH : rot -16:sc= 1.1 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 174:sc= -0.669 (180deg=-0.719) USER MOD Single : A 109 MET CE :methyl -140:sc=-0.00267 (180deg=-0.694) USER MOD Single : A 111 SER OG : rot -59:sc= 1.23 USER MOD Single : A 112 MET CE :methyl -159:sc= -0.412 (180deg=-0.782) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 MET CE :methyl -173:sc= 0 (180deg=-0.0574) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 3.062 -0.055 13.902 1.00 0.00 N ATOM 2 CA MET A -11 3.054 -1.034 15.023 1.00 0.00 C ATOM 3 C MET A -11 2.996 -2.474 14.500 1.00 0.00 C ATOM 4 O MET A -11 2.342 -2.709 13.481 1.00 0.00 O ATOM 5 CB MET A -11 1.898 -0.788 16.017 1.00 0.00 C ATOM 6 CG MET A -11 2.065 0.510 16.822 1.00 0.00 C ATOM 7 SD MET A -11 3.601 0.646 17.782 1.00 0.00 S ATOM 8 CE MET A -11 3.267 -0.532 19.123 1.00 0.00 C ATOM 0 H1 MET A -11 4.002 0.383 13.831 1.00 0.00 H new ATOM 0 H2 MET A -11 2.840 -0.545 13.012 1.00 0.00 H new ATOM 0 H3 MET A -11 2.349 0.681 14.079 1.00 0.00 H new ATOM 0 HA MET A -11 3.990 -0.888 15.563 1.00 0.00 H new ATOM 0 HB2 MET A -11 0.957 -0.751 15.469 1.00 0.00 H new ATOM 0 HB3 MET A -11 1.833 -1.630 16.706 1.00 0.00 H new ATOM 0 HG2 MET A -11 2.012 1.353 16.133 1.00 0.00 H new ATOM 0 HG3 MET A -11 1.221 0.604 17.505 1.00 0.00 H new ATOM 0 HE1 MET A -11 4.120 -0.563 19.801 1.00 0.00 H new ATOM 0 HE2 MET A -11 2.379 -0.217 19.672 1.00 0.00 H new ATOM 0 HE3 MET A -11 3.101 -1.524 18.703 1.00 0.00 H new ATOM 20 N PRO A -10 3.612 -3.459 15.189 1.00 0.00 N ATOM 21 CA PRO A -10 3.690 -4.850 14.716 1.00 0.00 C ATOM 22 C PRO A -10 2.333 -5.523 14.461 1.00 0.00 C ATOM 23 O PRO A -10 2.207 -6.299 13.517 1.00 0.00 O ATOM 24 CB PRO A -10 4.488 -5.602 15.786 1.00 0.00 C ATOM 25 CG PRO A -10 5.374 -4.515 16.388 1.00 0.00 C ATOM 26 CD PRO A -10 4.453 -3.297 16.372 1.00 0.00 C ATOM 0 HA PRO A -10 4.167 -4.869 13.736 1.00 0.00 H new ATOM 0 HB2 PRO A -10 3.835 -6.050 16.535 1.00 0.00 H new ATOM 0 HB3 PRO A -10 5.079 -6.410 15.354 1.00 0.00 H new ATOM 0 HG2 PRO A -10 5.697 -4.767 17.398 1.00 0.00 H new ATOM 0 HG3 PRO A -10 6.275 -4.351 15.797 1.00 0.00 H new ATOM 0 HD2 PRO A -10 3.850 -3.249 17.279 1.00 0.00 H new ATOM 0 HD3 PRO A -10 5.027 -2.372 16.322 1.00 0.00 H new ATOM 34 N ARG A -9 1.291 -5.187 15.238 1.00 0.00 N ATOM 35 CA ARG A -9 -0.081 -5.703 15.036 1.00 0.00 C ATOM 36 C ARG A -9 -0.698 -5.314 13.683 1.00 0.00 C ATOM 37 O ARG A -9 -1.466 -6.097 13.128 1.00 0.00 O ATOM 38 CB ARG A -9 -0.979 -5.367 16.241 1.00 0.00 C ATOM 39 CG ARG A -9 -1.027 -3.883 16.645 1.00 0.00 C ATOM 40 CD ARG A -9 -1.871 -3.715 17.915 1.00 0.00 C ATOM 41 NE ARG A -9 -1.764 -2.344 18.449 1.00 0.00 N ATOM 42 CZ ARG A -9 -1.133 -1.930 19.532 1.00 0.00 C ATOM 43 NH1 ARG A -9 -0.414 -2.716 20.282 1.00 0.00 N ATOM 44 NH2 ARG A -9 -1.221 -0.677 19.866 1.00 0.00 N ATOM 0 H ARG A -9 1.372 -4.547 16.028 1.00 0.00 H new ATOM 0 HA ARG A -9 -0.005 -6.789 14.985 1.00 0.00 H new ATOM 0 HB2 ARG A -9 -1.994 -5.697 16.017 1.00 0.00 H new ATOM 0 HB3 ARG A -9 -0.637 -5.947 17.098 1.00 0.00 H new ATOM 0 HG2 ARG A -9 -0.017 -3.511 16.817 1.00 0.00 H new ATOM 0 HG3 ARG A -9 -1.451 -3.290 15.835 1.00 0.00 H new ATOM 0 HD2 ARG A -9 -2.914 -3.942 17.694 1.00 0.00 H new ATOM 0 HD3 ARG A -9 -1.542 -4.429 18.670 1.00 0.00 H new ATOM 0 HE ARG A -9 -2.240 -1.621 17.910 1.00 0.00 H new ATOM 0 HH11 ARG A -9 -0.318 -3.703 20.042 1.00 0.00 H new ATOM 0 HH12 ARG A -9 0.053 -2.345 21.109 1.00 0.00 H new ATOM 0 HH21 ARG A -9 -1.770 -0.034 19.295 1.00 0.00 H new ATOM 0 HH22 ARG A -9 -0.741 -0.336 20.699 1.00 0.00 H new ATOM 58 N PHE A -8 -0.327 -4.160 13.116 1.00 0.00 N ATOM 59 CA PHE A -8 -0.629 -3.836 11.714 1.00 0.00 C ATOM 60 C PHE A -8 0.150 -4.688 10.704 1.00 0.00 C ATOM 61 O PHE A -8 -0.416 -5.254 9.765 1.00 0.00 O ATOM 62 CB PHE A -8 -0.543 -2.323 11.431 1.00 0.00 C ATOM 63 CG PHE A -8 -0.393 -1.969 9.956 1.00 0.00 C ATOM 64 CD1 PHE A -8 0.881 -1.978 9.355 1.00 0.00 C ATOM 65 CD2 PHE A -8 -1.525 -1.687 9.168 1.00 0.00 C ATOM 66 CE1 PHE A -8 1.022 -1.733 7.978 1.00 0.00 C ATOM 67 CE2 PHE A -8 -1.381 -1.422 7.795 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.110 -1.456 7.197 1.00 0.00 C ATOM 0 H PHE A -8 0.186 -3.430 13.609 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.672 -4.115 11.563 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.440 -1.841 11.819 1.00 0.00 H new ATOM 0 HB3 PHE A -8 0.303 -1.910 11.980 1.00 0.00 H new ATOM 0 HD1 PHE A -8 1.756 -2.175 9.957 1.00 0.00 H new ATOM 0 HD2 PHE A -8 -2.506 -1.674 9.619 1.00 0.00 H new ATOM 0 HE1 PHE A -8 2.001 -1.758 7.522 1.00 0.00 H new ATOM 0 HE2 PHE A -8 -2.251 -1.191 7.198 1.00 0.00 H new ATOM 0 HZ PHE A -8 -0.005 -1.269 6.138 1.00 0.00 H new ATOM 78 N TRP A -7 1.461 -4.812 10.936 1.00 0.00 N ATOM 79 CA TRP A -7 2.373 -5.529 10.046 1.00 0.00 C ATOM 80 C TRP A -7 2.076 -7.035 9.974 1.00 0.00 C ATOM 81 O TRP A -7 2.211 -7.623 8.907 1.00 0.00 O ATOM 82 CB TRP A -7 3.822 -5.242 10.450 1.00 0.00 C ATOM 83 CG TRP A -7 4.859 -5.867 9.568 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.428 -7.080 9.765 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.254 -5.467 8.217 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.231 -7.400 8.688 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.142 -6.454 7.690 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.951 -4.368 7.380 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.708 -6.353 6.410 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.522 -4.252 6.097 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.395 -5.241 5.611 1.00 0.00 C ATOM 0 H TRP A -7 1.920 -4.413 11.755 1.00 0.00 H new ATOM 0 HA TRP A -7 2.215 -5.158 9.033 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.975 -4.163 10.457 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.975 -5.592 11.471 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.277 -7.703 10.634 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.817 -8.233 8.638 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.271 -3.605 7.730 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.375 -7.120 6.044 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.287 -3.396 5.482 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.824 -5.146 4.625 1.00 0.00 H new ATOM 102 N GLU A -6 1.585 -7.659 11.048 1.00 0.00 N ATOM 103 CA GLU A -6 1.106 -9.053 11.026 1.00 0.00 C ATOM 104 C GLU A -6 -0.050 -9.276 10.030 1.00 0.00 C ATOM 105 O GLU A -6 -0.046 -10.268 9.298 1.00 0.00 O ATOM 106 CB GLU A -6 0.702 -9.497 12.442 1.00 0.00 C ATOM 107 CG GLU A -6 1.932 -9.768 13.326 1.00 0.00 C ATOM 108 CD GLU A -6 1.585 -10.168 14.777 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.397 -10.158 15.180 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.525 -10.510 15.537 1.00 0.00 O ATOM 0 H GLU A -6 1.506 -7.214 11.963 1.00 0.00 H new ATOM 0 HA GLU A -6 1.934 -9.670 10.677 1.00 0.00 H new ATOM 0 HB2 GLU A -6 0.085 -8.726 12.903 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.092 -10.398 12.381 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.525 -10.562 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.557 -8.875 13.345 1.00 0.00 H new ATOM 117 N TYR A -5 -1.001 -8.335 9.940 1.00 0.00 N ATOM 118 CA TYR A -5 -2.003 -8.315 8.867 1.00 0.00 C ATOM 119 C TYR A -5 -1.456 -8.047 7.459 1.00 0.00 C ATOM 120 O TYR A -5 -1.849 -8.697 6.489 1.00 0.00 O ATOM 121 CB TYR A -5 -3.192 -7.402 9.200 1.00 0.00 C ATOM 122 CG TYR A -5 -4.249 -8.018 10.094 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.216 -8.876 9.534 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.291 -7.711 11.468 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.227 -9.425 10.346 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.306 -8.251 12.282 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.280 -9.106 11.721 1.00 0.00 C ATOM 128 OH TYR A -5 -7.275 -9.621 12.494 1.00 0.00 O ATOM 0 H TYR A -5 -1.096 -7.569 10.607 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.363 -9.343 8.826 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.813 -6.500 9.681 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.664 -7.092 8.267 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.182 -9.113 8.481 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.544 -7.061 11.898 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.962 -10.090 9.917 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.339 -8.011 13.335 1.00 0.00 H new ATOM 0 HH TYR A -5 -7.169 -9.307 13.416 1.00 0.00 H new ATOM 138 N TRP A -4 -0.524 -7.100 7.350 1.00 0.00 N ATOM 139 CA TRP A -4 0.073 -6.689 6.077 1.00 0.00 C ATOM 140 C TRP A -4 1.001 -7.772 5.496 1.00 0.00 C ATOM 141 O TRP A -4 1.057 -7.954 4.282 1.00 0.00 O ATOM 142 CB TRP A -4 0.823 -5.374 6.315 1.00 0.00 C ATOM 143 CG TRP A -4 1.173 -4.667 5.053 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.279 -4.903 4.314 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.285 -3.877 4.201 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.166 -4.251 3.106 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.940 -3.646 2.959 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.016 -3.348 4.347 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.337 -2.946 1.906 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.637 -2.647 3.296 1.00 0.00 C ATOM 151 CH2 TRP A -4 -0.967 -2.448 2.075 1.00 0.00 C ATOM 0 H TRP A -4 -0.157 -6.590 8.153 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.712 -6.545 5.335 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.209 -4.719 6.934 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.735 -5.579 6.875 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.119 -5.508 4.622 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.905 -4.221 2.403 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.543 -3.483 5.280 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.866 -2.791 0.977 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.636 -2.259 3.428 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.452 -1.915 1.271 1.00 0.00 H new ATOM 162 N LEU A -3 1.677 -8.559 6.335 1.00 0.00 N ATOM 163 CA LEU A -3 2.529 -9.671 5.912 1.00 0.00 C ATOM 164 C LEU A -3 1.729 -10.803 5.238 1.00 0.00 C ATOM 165 O LEU A -3 2.225 -11.442 4.307 1.00 0.00 O ATOM 166 CB LEU A -3 3.317 -10.162 7.141 1.00 0.00 C ATOM 167 CG LEU A -3 4.445 -11.157 6.820 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.608 -10.458 6.114 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.977 -11.772 8.115 1.00 0.00 C ATOM 0 H LEU A -3 1.647 -8.438 7.347 1.00 0.00 H new ATOM 0 HA LEU A -3 3.224 -9.325 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.745 -9.299 7.651 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.623 -10.632 7.838 1.00 0.00 H new ATOM 0 HG LEU A -3 4.034 -11.927 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.392 -11.184 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.255 -10.017 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.007 -9.674 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.776 -12.476 7.882 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.365 -10.983 8.760 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.170 -12.296 8.628 1.00 0.00 H new ATOM 181 N ARG A -2 0.468 -11.014 5.648 1.00 0.00 N ATOM 182 CA ARG A -2 -0.438 -12.011 5.056 1.00 0.00 C ATOM 183 C ARG A -2 -0.753 -11.711 3.587 1.00 0.00 C ATOM 184 O ARG A -2 -0.894 -12.649 2.803 1.00 0.00 O ATOM 185 CB ARG A -2 -1.696 -12.142 5.936 1.00 0.00 C ATOM 186 CG ARG A -2 -2.769 -13.111 5.407 1.00 0.00 C ATOM 187 CD ARG A -2 -2.286 -14.558 5.250 1.00 0.00 C ATOM 188 NE ARG A -2 -1.979 -15.167 6.557 1.00 0.00 N ATOM 189 CZ ARG A -2 -0.964 -15.933 6.895 1.00 0.00 C ATOM 190 NH1 ARG A -2 -0.036 -16.297 6.058 1.00 0.00 N ATOM 191 NH2 ARG A -2 -0.896 -16.351 8.121 1.00 0.00 N ATOM 0 H ARG A -2 0.043 -10.489 6.412 1.00 0.00 H new ATOM 0 HA ARG A -2 0.061 -12.980 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.392 -12.470 6.930 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.145 -11.155 6.049 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.622 -13.096 6.085 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -3.123 -12.751 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -3.052 -15.146 4.744 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -1.398 -14.580 4.619 1.00 0.00 H new ATOM 0 HE ARG A -2 -2.646 -14.967 7.302 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -0.075 -15.987 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A -2 0.730 -16.893 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -1.617 -16.084 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -0.122 -16.946 8.415 1.00 0.00 H new ATOM 205 N LEU A -1 -0.774 -10.431 3.196 1.00 0.00 N ATOM 206 CA LEU A -1 -0.910 -10.021 1.795 1.00 0.00 C ATOM 207 C LEU A -1 0.226 -10.591 0.939 1.00 0.00 C ATOM 208 O LEU A -1 -0.043 -11.328 -0.008 1.00 0.00 O ATOM 209 CB LEU A -1 -0.921 -8.489 1.664 1.00 0.00 C ATOM 210 CG LEU A -1 -2.179 -7.783 2.177 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.905 -6.285 2.168 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.383 -8.050 1.271 1.00 0.00 C ATOM 0 H LEU A -1 -0.697 -9.648 3.846 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.860 -10.417 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.060 -8.092 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.787 -8.233 0.613 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.409 -8.155 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.785 -5.752 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.057 -6.066 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.677 -5.963 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.257 -7.533 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.170 -7.686 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.580 -9.121 1.235 1.00 0.00 H new ATOM 224 N MET A 0 1.482 -10.278 1.275 1.00 0.00 N ATOM 225 CA MET A 0 2.627 -10.694 0.456 1.00 0.00 C ATOM 226 C MET A 0 2.886 -12.211 0.531 1.00 0.00 C ATOM 227 O MET A 0 3.375 -12.800 -0.433 1.00 0.00 O ATOM 228 CB MET A 0 3.888 -9.890 0.818 1.00 0.00 C ATOM 229 CG MET A 0 4.444 -10.166 2.222 1.00 0.00 C ATOM 230 SD MET A 0 6.095 -9.484 2.532 1.00 0.00 S ATOM 231 CE MET A 0 5.699 -7.724 2.627 1.00 0.00 C ATOM 0 H MET A 0 1.732 -9.740 2.105 1.00 0.00 H new ATOM 0 HA MET A 0 2.371 -10.474 -0.581 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.665 -10.109 0.085 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.661 -8.827 0.734 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.753 -9.756 2.958 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.476 -11.244 2.380 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.568 -7.174 2.988 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.424 -7.359 1.637 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.865 -7.575 3.313 1.00 0.00 H new ATOM 241 N GLU A 1 2.548 -12.855 1.655 1.00 0.00 N ATOM 242 CA GLU A 1 2.704 -14.302 1.850 1.00 0.00 C ATOM 243 C GLU A 1 1.687 -15.123 1.032 1.00 0.00 C ATOM 244 O GLU A 1 2.037 -16.177 0.497 1.00 0.00 O ATOM 245 CB GLU A 1 2.609 -14.602 3.358 1.00 0.00 C ATOM 246 CG GLU A 1 2.727 -16.085 3.750 1.00 0.00 C ATOM 247 CD GLU A 1 4.095 -16.743 3.455 1.00 0.00 C ATOM 248 OE1 GLU A 1 5.055 -16.062 3.017 1.00 0.00 O ATOM 249 OE2 GLU A 1 4.226 -17.968 3.696 1.00 0.00 O ATOM 0 H GLU A 1 2.153 -12.379 2.466 1.00 0.00 H new ATOM 0 HA GLU A 1 3.682 -14.607 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.394 -14.046 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.656 -14.222 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.520 -16.179 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.953 -16.645 3.225 1.00 0.00 H new ATOM 256 N GLY A 2 0.446 -14.639 0.902 1.00 0.00 N ATOM 257 CA GLY A 2 -0.587 -15.254 0.060 1.00 0.00 C ATOM 258 C GLY A 2 -0.403 -14.947 -1.434 1.00 0.00 C ATOM 259 O GLY A 2 -0.295 -15.860 -2.254 1.00 0.00 O ATOM 0 H GLY A 2 0.127 -13.799 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.574 -16.334 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.567 -14.901 0.380 1.00 0.00 H new ATOM 263 N GLY A 3 -0.334 -13.657 -1.779 1.00 0.00 N ATOM 264 CA GLY A 3 -0.330 -13.146 -3.153 1.00 0.00 C ATOM 265 C GLY A 3 -1.673 -13.285 -3.896 1.00 0.00 C ATOM 266 O GLY A 3 -2.543 -14.084 -3.535 1.00 0.00 O ATOM 0 H GLY A 3 -0.277 -12.913 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -0.048 -12.093 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.439 -13.671 -3.719 1.00 0.00 H new ATOM 270 N GLY A 4 -1.832 -12.505 -4.971 1.00 0.00 N ATOM 271 CA GLY A 4 -2.972 -12.605 -5.891 1.00 0.00 C ATOM 272 C GLY A 4 -3.002 -13.928 -6.674 1.00 0.00 C ATOM 273 O GLY A 4 -1.998 -14.639 -6.752 1.00 0.00 O ATOM 0 H GLY A 4 -1.165 -11.778 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.898 -12.504 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.937 -11.774 -6.595 1.00 0.00 H new ATOM 277 N GLU A 5 -4.163 -14.263 -7.247 1.00 0.00 N ATOM 278 CA GLU A 5 -4.501 -15.511 -7.974 1.00 0.00 C ATOM 279 C GLU A 5 -4.456 -16.813 -7.137 1.00 0.00 C ATOM 280 O GLU A 5 -5.289 -17.700 -7.337 1.00 0.00 O ATOM 281 CB GLU A 5 -3.686 -15.593 -9.285 1.00 0.00 C ATOM 282 CG GLU A 5 -3.982 -16.800 -10.195 1.00 0.00 C ATOM 283 CD GLU A 5 -5.377 -16.794 -10.862 1.00 0.00 C ATOM 284 OE1 GLU A 5 -6.165 -15.833 -10.690 1.00 0.00 O ATOM 285 OE2 GLU A 5 -5.678 -17.762 -11.603 1.00 0.00 O ATOM 0 H GLU A 5 -4.959 -13.625 -7.217 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.560 -15.440 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.863 -14.682 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.626 -15.608 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.223 -16.840 -10.977 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.882 -17.712 -9.606 1.00 0.00 H new ATOM 292 N ASN A 6 -3.548 -16.922 -6.163 1.00 0.00 N ATOM 293 CA ASN A 6 -3.498 -17.997 -5.167 1.00 0.00 C ATOM 294 C ASN A 6 -4.746 -18.020 -4.256 1.00 0.00 C ATOM 295 O ASN A 6 -5.275 -19.090 -3.947 1.00 0.00 O ATOM 296 CB ASN A 6 -2.187 -17.834 -4.375 1.00 0.00 C ATOM 297 CG ASN A 6 -2.149 -18.674 -3.109 1.00 0.00 C ATOM 298 OD1 ASN A 6 -2.594 -18.259 -2.047 1.00 0.00 O ATOM 299 ND2 ASN A 6 -1.613 -19.869 -3.165 1.00 0.00 N ATOM 0 H ASN A 6 -2.800 -16.239 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.509 -18.966 -5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.347 -18.110 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.056 -16.784 -4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.568 -20.448 -2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.241 -20.220 -4.047 1.00 0.00 H new ATOM 306 N LEU A 7 -5.250 -16.845 -3.861 1.00 0.00 N ATOM 307 CA LEU A 7 -6.540 -16.696 -3.180 1.00 0.00 C ATOM 308 C LEU A 7 -7.686 -16.962 -4.177 1.00 0.00 C ATOM 309 O LEU A 7 -7.823 -16.250 -5.175 1.00 0.00 O ATOM 310 CB LEU A 7 -6.585 -15.303 -2.516 1.00 0.00 C ATOM 311 CG LEU A 7 -7.708 -15.102 -1.478 1.00 0.00 C ATOM 312 CD1 LEU A 7 -7.443 -13.824 -0.682 1.00 0.00 C ATOM 313 CD2 LEU A 7 -9.099 -14.986 -2.103 1.00 0.00 C ATOM 0 H LEU A 7 -4.766 -15.959 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.666 -17.430 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.627 -15.120 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.696 -14.550 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.699 -15.987 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.236 -13.681 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.485 -13.907 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.419 -12.971 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.841 -14.846 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.123 -14.133 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.326 -15.896 -2.658 1.00 0.00 H new ATOM 325 N TYR A 8 -8.501 -17.992 -3.918 1.00 0.00 N ATOM 326 CA TYR A 8 -9.562 -18.442 -4.827 1.00 0.00 C ATOM 327 C TYR A 8 -10.655 -17.429 -5.213 1.00 0.00 C ATOM 328 O TYR A 8 -11.415 -16.966 -4.360 1.00 0.00 O ATOM 329 CB TYR A 8 -10.157 -19.788 -4.381 1.00 0.00 C ATOM 330 CG TYR A 8 -9.284 -21.003 -4.646 1.00 0.00 C ATOM 331 CD1 TYR A 8 -9.037 -21.421 -5.970 1.00 0.00 C ATOM 332 CD2 TYR A 8 -8.746 -21.735 -3.569 1.00 0.00 C ATOM 333 CE1 TYR A 8 -8.239 -22.555 -6.216 1.00 0.00 C ATOM 334 CE2 TYR A 8 -7.960 -22.879 -3.812 1.00 0.00 C ATOM 335 CZ TYR A 8 -7.693 -23.286 -5.138 1.00 0.00 C ATOM 336 OH TYR A 8 -6.928 -24.383 -5.386 1.00 0.00 O ATOM 0 H TYR A 8 -8.441 -18.543 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.027 -18.570 -5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -10.367 -19.738 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.112 -19.930 -4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.461 -20.870 -6.797 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.937 -21.418 -2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.044 -22.866 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.561 -23.445 -2.983 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.474 -24.658 -4.562 1.00 0.00 H new ATOM 346 N PHE A 9 -10.793 -17.142 -6.512 1.00 0.00 N ATOM 347 CA PHE A 9 -11.813 -16.234 -7.059 1.00 0.00 C ATOM 348 C PHE A 9 -13.283 -16.638 -6.865 1.00 0.00 C ATOM 349 O PHE A 9 -14.160 -15.783 -6.729 1.00 0.00 O ATOM 350 CB PHE A 9 -11.501 -15.878 -8.522 1.00 0.00 C ATOM 351 CG PHE A 9 -11.094 -17.065 -9.381 1.00 0.00 C ATOM 352 CD1 PHE A 9 -12.082 -17.912 -9.922 1.00 0.00 C ATOM 353 CD2 PHE A 9 -9.733 -17.347 -9.610 1.00 0.00 C ATOM 354 CE1 PHE A 9 -11.711 -19.038 -10.679 1.00 0.00 C ATOM 355 CE2 PHE A 9 -9.364 -18.473 -10.368 1.00 0.00 C ATOM 356 CZ PHE A 9 -10.351 -19.321 -10.901 1.00 0.00 C ATOM 0 H PHE A 9 -10.187 -17.541 -7.229 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.730 -15.343 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -12.379 -15.408 -8.965 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.700 -15.139 -8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -13.127 -17.696 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.972 -16.698 -9.203 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -12.471 -19.686 -11.090 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.320 -18.687 -10.541 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.066 -20.187 -11.479 1.00 0.00 H new ATOM 366 N GLN A 10 -13.548 -17.947 -6.815 1.00 0.00 N ATOM 367 CA GLN A 10 -14.885 -18.524 -6.616 1.00 0.00 C ATOM 368 C GLN A 10 -15.450 -18.328 -5.191 1.00 0.00 C ATOM 369 O GLN A 10 -16.635 -18.585 -4.963 1.00 0.00 O ATOM 370 CB GLN A 10 -14.872 -20.010 -7.026 1.00 0.00 C ATOM 371 CG GLN A 10 -13.924 -20.897 -6.194 1.00 0.00 C ATOM 372 CD GLN A 10 -14.034 -22.390 -6.518 1.00 0.00 C ATOM 373 OE1 GLN A 10 -14.825 -22.845 -7.337 1.00 0.00 O ATOM 374 NE2 GLN A 10 -13.238 -23.223 -5.881 1.00 0.00 N ATOM 0 H GLN A 10 -12.821 -18.655 -6.914 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.570 -17.973 -7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.884 -20.405 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.587 -20.081 -8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.897 -20.573 -6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.137 -20.747 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.572 -22.868 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.288 -24.223 -6.073 1.00 0.00 H new ATOM 383 N GLY A 11 -14.636 -17.868 -4.233 1.00 0.00 N ATOM 384 CA GLY A 11 -15.082 -17.537 -2.876 1.00 0.00 C ATOM 385 C GLY A 11 -16.012 -16.317 -2.851 1.00 0.00 C ATOM 386 O GLY A 11 -15.663 -15.253 -3.371 1.00 0.00 O ATOM 0 H GLY A 11 -13.639 -17.714 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.600 -18.395 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.213 -17.342 -2.248 1.00 0.00 H new ATOM 390 N MET A 12 -17.187 -16.465 -2.230 1.00 0.00 N ATOM 391 CA MET A 12 -18.192 -15.397 -2.060 1.00 0.00 C ATOM 392 C MET A 12 -17.829 -14.349 -0.984 1.00 0.00 C ATOM 393 O MET A 12 -18.478 -13.305 -0.886 1.00 0.00 O ATOM 394 CB MET A 12 -19.587 -16.014 -1.824 1.00 0.00 C ATOM 395 CG MET A 12 -19.699 -17.028 -0.671 1.00 0.00 C ATOM 396 SD MET A 12 -19.466 -16.410 1.023 1.00 0.00 S ATOM 397 CE MET A 12 -20.918 -15.336 1.198 1.00 0.00 C ATOM 0 H MET A 12 -17.478 -17.352 -1.819 1.00 0.00 H new ATOM 0 HA MET A 12 -18.207 -14.832 -2.992 1.00 0.00 H new ATOM 0 HB2 MET A 12 -20.292 -15.204 -1.637 1.00 0.00 H new ATOM 0 HB3 MET A 12 -19.904 -16.506 -2.744 1.00 0.00 H new ATOM 0 HG2 MET A 12 -20.684 -17.492 -0.726 1.00 0.00 H new ATOM 0 HG3 MET A 12 -18.966 -17.816 -0.845 1.00 0.00 H new ATOM 0 HE1 MET A 12 -20.986 -14.980 2.226 1.00 0.00 H new ATOM 0 HE2 MET A 12 -20.824 -14.484 0.525 1.00 0.00 H new ATOM 0 HE3 MET A 12 -21.818 -15.898 0.949 1.00 0.00 H new ATOM 407 N SER A 13 -16.780 -14.608 -0.199 1.00 0.00 N ATOM 408 CA SER A 13 -16.145 -13.702 0.771 1.00 0.00 C ATOM 409 C SER A 13 -14.671 -14.067 0.976 1.00 0.00 C ATOM 410 O SER A 13 -14.230 -15.157 0.600 1.00 0.00 O ATOM 411 CB SER A 13 -16.878 -13.727 2.123 1.00 0.00 C ATOM 412 OG SER A 13 -18.043 -12.920 2.073 1.00 0.00 O ATOM 0 H SER A 13 -16.318 -15.517 -0.223 1.00 0.00 H new ATOM 0 HA SER A 13 -16.207 -12.694 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.149 -14.752 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.214 -13.369 2.910 1.00 0.00 H new ATOM 0 HG SER A 13 -18.337 -12.828 1.143 1.00 0.00 H new ATOM 418 N VAL A 14 -13.898 -13.157 1.577 1.00 0.00 N ATOM 419 CA VAL A 14 -12.471 -13.361 1.883 1.00 0.00 C ATOM 420 C VAL A 14 -12.237 -14.536 2.858 1.00 0.00 C ATOM 421 O VAL A 14 -12.898 -14.578 3.902 1.00 0.00 O ATOM 422 CB VAL A 14 -11.808 -12.068 2.404 1.00 0.00 C ATOM 423 CG1 VAL A 14 -10.277 -12.162 2.383 1.00 0.00 C ATOM 424 CG2 VAL A 14 -12.202 -10.840 1.569 1.00 0.00 C ATOM 0 H VAL A 14 -14.247 -12.244 1.870 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.992 -13.628 0.941 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.165 -11.954 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.850 -11.232 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.955 -12.989 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.937 -12.332 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.712 -9.954 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.891 -10.988 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.283 -10.706 1.607 1.00 0.00 H new ATOM 434 N PRO A 15 -11.327 -15.488 2.561 1.00 0.00 N ATOM 435 CA PRO A 15 -11.010 -16.608 3.453 1.00 0.00 C ATOM 436 C PRO A 15 -10.283 -16.168 4.738 1.00 0.00 C ATOM 437 O PRO A 15 -9.732 -15.068 4.827 1.00 0.00 O ATOM 438 CB PRO A 15 -10.155 -17.566 2.614 1.00 0.00 C ATOM 439 CG PRO A 15 -9.466 -16.640 1.615 1.00 0.00 C ATOM 440 CD PRO A 15 -10.540 -15.590 1.340 1.00 0.00 C ATOM 0 HA PRO A 15 -11.922 -17.084 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.433 -18.103 3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.766 -18.316 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.562 -16.196 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.173 -17.168 0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.091 -14.630 1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.165 -15.884 0.497 1.00 0.00 H new ATOM 448 N THR A 16 -10.268 -17.054 5.739 1.00 0.00 N ATOM 449 CA THR A 16 -9.566 -16.850 7.020 1.00 0.00 C ATOM 450 C THR A 16 -8.034 -16.741 6.947 1.00 0.00 C ATOM 451 O THR A 16 -7.412 -17.131 5.956 1.00 0.00 O ATOM 452 CB THR A 16 -10.062 -17.832 8.097 1.00 0.00 C ATOM 453 OG1 THR A 16 -9.861 -17.268 9.376 1.00 0.00 O ATOM 454 CG2 THR A 16 -9.351 -19.186 8.067 1.00 0.00 C ATOM 0 H THR A 16 -10.751 -17.951 5.685 1.00 0.00 H new ATOM 0 HA THR A 16 -9.849 -15.844 7.329 1.00 0.00 H new ATOM 0 HB THR A 16 -11.117 -18.005 7.885 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.178 -17.892 10.062 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.752 -19.825 8.853 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.510 -19.659 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.283 -19.040 8.228 1.00 0.00 H new ATOM 462 N ASP A 17 -7.415 -16.215 8.006 1.00 0.00 N ATOM 463 CA ASP A 17 -5.963 -16.056 8.151 1.00 0.00 C ATOM 464 C ASP A 17 -5.149 -17.368 8.062 1.00 0.00 C ATOM 465 O ASP A 17 -5.232 -18.217 8.955 1.00 0.00 O ATOM 466 CB ASP A 17 -5.669 -15.229 9.419 1.00 0.00 C ATOM 467 CG ASP A 17 -4.203 -15.257 9.884 1.00 0.00 C ATOM 468 OD1 ASP A 17 -3.292 -15.289 9.025 1.00 0.00 O ATOM 469 OD2 ASP A 17 -3.958 -15.204 11.113 1.00 0.00 O ATOM 0 H ASP A 17 -7.929 -15.874 8.818 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.607 -15.506 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.957 -14.194 9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.299 -15.596 10.229 1.00 0.00 H new ATOM 474 N GLY A 18 -4.369 -17.540 6.989 1.00 0.00 N ATOM 475 CA GLY A 18 -3.540 -18.725 6.743 1.00 0.00 C ATOM 476 C GLY A 18 -2.890 -18.750 5.352 1.00 0.00 C ATOM 477 O GLY A 18 -3.054 -17.821 4.557 1.00 0.00 O ATOM 0 H GLY A 18 -4.295 -16.842 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.757 -18.773 7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.154 -19.618 6.863 1.00 0.00 H new ATOM 481 N ALA A 19 -2.151 -19.825 5.063 1.00 0.00 N ATOM 482 CA ALA A 19 -1.434 -20.051 3.798 1.00 0.00 C ATOM 483 C ALA A 19 -1.379 -21.554 3.425 1.00 0.00 C ATOM 484 O ALA A 19 -0.331 -22.089 3.051 1.00 0.00 O ATOM 485 CB ALA A 19 -0.051 -19.387 3.888 1.00 0.00 C ATOM 0 H ALA A 19 -2.029 -20.591 5.725 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.978 -19.585 2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.491 -19.547 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.171 -18.317 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.510 -19.825 4.714 1.00 0.00 H new ATOM 491 N VAL A 20 -2.509 -22.256 3.583 1.00 0.00 N ATOM 492 CA VAL A 20 -2.641 -23.707 3.344 1.00 0.00 C ATOM 493 C VAL A 20 -2.314 -24.122 1.904 1.00 0.00 C ATOM 494 O VAL A 20 -2.756 -23.474 0.952 1.00 0.00 O ATOM 495 CB VAL A 20 -4.019 -24.257 3.786 1.00 0.00 C ATOM 496 CG1 VAL A 20 -3.995 -25.783 3.945 1.00 0.00 C ATOM 497 CG2 VAL A 20 -4.505 -23.657 5.116 1.00 0.00 C ATOM 0 H VAL A 20 -3.381 -21.823 3.888 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.883 -24.167 3.978 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.706 -23.967 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.980 -26.132 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.731 -26.244 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.258 -26.059 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.476 -24.081 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.788 -23.889 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.597 -22.576 5.015 1.00 0.00 H new ATOM 507 N THR A 21 -1.568 -25.218 1.727 1.00 0.00 N ATOM 508 CA THR A 21 -1.087 -25.699 0.413 1.00 0.00 C ATOM 509 C THR A 21 -2.156 -26.002 -0.646 1.00 0.00 C ATOM 510 O THR A 21 -1.879 -25.910 -1.844 1.00 0.00 O ATOM 511 CB THR A 21 -0.054 -26.838 0.522 1.00 0.00 C ATOM 512 OG1 THR A 21 -0.711 -28.087 0.584 1.00 0.00 O ATOM 513 CG2 THR A 21 0.872 -26.745 1.740 1.00 0.00 C ATOM 0 H THR A 21 -1.273 -25.811 2.502 1.00 0.00 H new ATOM 0 HA THR A 21 -0.579 -24.816 0.025 1.00 0.00 H new ATOM 0 HB THR A 21 0.564 -26.740 -0.371 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.046 -28.804 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.565 -27.586 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.434 -25.812 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.276 -26.770 2.653 1.00 0.00 H new ATOM 521 N THR A 22 -3.401 -26.250 -0.229 1.00 0.00 N ATOM 522 CA THR A 22 -4.590 -26.351 -1.096 1.00 0.00 C ATOM 523 C THR A 22 -4.889 -25.147 -1.998 1.00 0.00 C ATOM 524 O THR A 22 -5.551 -25.277 -3.029 1.00 0.00 O ATOM 525 CB THR A 22 -5.851 -26.782 -0.313 1.00 0.00 C ATOM 526 OG1 THR A 22 -5.518 -27.462 0.885 1.00 0.00 O ATOM 527 CG2 THR A 22 -6.770 -27.698 -1.123 1.00 0.00 C ATOM 0 H THR A 22 -3.622 -26.392 0.757 1.00 0.00 H new ATOM 0 HA THR A 22 -4.309 -27.141 -1.792 1.00 0.00 H new ATOM 0 HB THR A 22 -6.374 -25.852 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.339 -27.718 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.638 -27.967 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.100 -27.179 -2.023 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.228 -28.602 -1.403 1.00 0.00 H new ATOM 535 N SER A 23 -4.360 -23.971 -1.642 1.00 0.00 N ATOM 536 CA SER A 23 -4.386 -22.743 -2.459 1.00 0.00 C ATOM 537 C SER A 23 -3.508 -22.806 -3.727 1.00 0.00 C ATOM 538 O SER A 23 -3.705 -22.010 -4.646 1.00 0.00 O ATOM 539 CB SER A 23 -3.961 -21.556 -1.587 1.00 0.00 C ATOM 540 OG SER A 23 -2.613 -21.690 -1.154 1.00 0.00 O ATOM 0 H SER A 23 -3.885 -23.839 -0.749 1.00 0.00 H new ATOM 0 HA SER A 23 -5.409 -22.626 -2.816 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.074 -20.629 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.618 -21.485 -0.720 1.00 0.00 H new ATOM 0 HG SER A 23 -2.570 -22.325 -0.409 1.00 0.00 H new ATOM 546 N GLN A 24 -2.580 -23.774 -3.791 1.00 0.00 N ATOM 547 CA GLN A 24 -1.585 -24.031 -4.843 1.00 0.00 C ATOM 548 C GLN A 24 -0.535 -22.920 -5.060 1.00 0.00 C ATOM 549 O GLN A 24 -0.845 -21.736 -5.218 1.00 0.00 O ATOM 550 CB GLN A 24 -2.264 -24.541 -6.135 1.00 0.00 C ATOM 551 CG GLN A 24 -1.357 -24.726 -7.368 1.00 0.00 C ATOM 552 CD GLN A 24 -0.268 -25.797 -7.233 1.00 0.00 C ATOM 553 OE1 GLN A 24 0.108 -26.242 -6.157 1.00 0.00 O ATOM 554 NE2 GLN A 24 0.291 -26.258 -8.332 1.00 0.00 N ATOM 0 H GLN A 24 -2.500 -24.459 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.960 -24.841 -4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.738 -25.497 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.059 -23.844 -6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.984 -24.976 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.878 -23.773 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.004 -25.904 -9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.019 -26.970 -8.274 1.00 0.00 H new ATOM 563 N ILE A 25 0.741 -23.320 -5.086 1.00 0.00 N ATOM 564 CA ILE A 25 1.896 -22.439 -5.330 1.00 0.00 C ATOM 565 C ILE A 25 2.129 -22.167 -6.834 1.00 0.00 C ATOM 566 O ILE A 25 1.708 -22.971 -7.673 1.00 0.00 O ATOM 567 CB ILE A 25 3.181 -22.971 -4.636 1.00 0.00 C ATOM 568 CG1 ILE A 25 3.373 -24.506 -4.583 1.00 0.00 C ATOM 569 CG2 ILE A 25 3.185 -22.460 -3.184 1.00 0.00 C ATOM 570 CD1 ILE A 25 3.568 -25.152 -5.959 1.00 0.00 C ATOM 0 H ILE A 25 1.010 -24.292 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 25 1.653 -21.478 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 25 3.998 -22.601 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.237 -24.733 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.505 -24.955 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.078 -22.820 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.181 -21.370 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.299 -22.827 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.696 -26.228 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.694 -24.957 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.453 -24.732 -6.436 1.00 0.00 H new ATOM 582 N PRO A 26 2.811 -21.063 -7.209 1.00 0.00 N ATOM 583 CA PRO A 26 3.223 -20.787 -8.590 1.00 0.00 C ATOM 584 C PRO A 26 4.394 -21.703 -9.011 1.00 0.00 C ATOM 585 O PRO A 26 5.562 -21.305 -9.024 1.00 0.00 O ATOM 586 CB PRO A 26 3.557 -19.290 -8.601 1.00 0.00 C ATOM 587 CG PRO A 26 4.075 -19.033 -7.187 1.00 0.00 C ATOM 588 CD PRO A 26 3.209 -19.961 -6.338 1.00 0.00 C ATOM 0 HA PRO A 26 2.449 -21.004 -9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.308 -19.051 -9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.679 -18.684 -8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.135 -19.271 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.956 -17.989 -6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.764 -20.329 -5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.335 -19.434 -5.954 1.00 0.00 H new ATOM 596 N ALA A 27 4.083 -22.966 -9.314 1.00 0.00 N ATOM 597 CA ALA A 27 5.060 -24.029 -9.563 1.00 0.00 C ATOM 598 C ALA A 27 6.037 -23.697 -10.712 1.00 0.00 C ATOM 599 O ALA A 27 5.623 -23.310 -11.810 1.00 0.00 O ATOM 600 CB ALA A 27 4.302 -25.337 -9.823 1.00 0.00 C ATOM 0 H ALA A 27 3.118 -23.286 -9.395 1.00 0.00 H new ATOM 0 HA ALA A 27 5.688 -24.133 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.015 -26.140 -10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.696 -25.586 -8.952 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.655 -25.216 -10.692 1.00 0.00 H new ATOM 606 N SER A 28 7.339 -23.866 -10.447 1.00 0.00 N ATOM 607 CA SER A 28 8.470 -23.610 -11.363 1.00 0.00 C ATOM 608 C SER A 28 8.604 -22.170 -11.907 1.00 0.00 C ATOM 609 O SER A 28 9.443 -21.916 -12.774 1.00 0.00 O ATOM 610 CB SER A 28 8.504 -24.655 -12.494 1.00 0.00 C ATOM 611 OG SER A 28 8.678 -25.966 -11.972 1.00 0.00 O ATOM 0 H SER A 28 7.654 -24.204 -9.538 1.00 0.00 H new ATOM 0 HA SER A 28 9.354 -23.718 -10.735 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.577 -24.608 -13.066 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.316 -24.424 -13.183 1.00 0.00 H new ATOM 0 HG SER A 28 8.695 -26.612 -12.709 1.00 0.00 H new ATOM 617 N GLU A 29 7.816 -21.209 -11.412 1.00 0.00 N ATOM 618 CA GLU A 29 7.859 -19.800 -11.826 1.00 0.00 C ATOM 619 C GLU A 29 8.785 -18.966 -10.915 1.00 0.00 C ATOM 620 O GLU A 29 8.697 -19.036 -9.685 1.00 0.00 O ATOM 621 CB GLU A 29 6.424 -19.248 -11.883 1.00 0.00 C ATOM 622 CG GLU A 29 6.350 -17.803 -12.399 1.00 0.00 C ATOM 623 CD GLU A 29 4.907 -17.297 -12.638 1.00 0.00 C ATOM 624 OE1 GLU A 29 3.923 -18.058 -12.464 1.00 0.00 O ATOM 625 OE2 GLU A 29 4.748 -16.112 -13.018 1.00 0.00 O ATOM 0 H GLU A 29 7.114 -21.393 -10.695 1.00 0.00 H new ATOM 0 HA GLU A 29 8.292 -19.728 -12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.821 -19.888 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.984 -19.294 -10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.841 -17.146 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.909 -17.731 -13.332 1.00 0.00 H new ATOM 632 N GLN A 30 9.680 -18.177 -11.517 1.00 0.00 N ATOM 633 CA GLN A 30 10.627 -17.303 -10.806 1.00 0.00 C ATOM 634 C GLN A 30 9.974 -16.022 -10.245 1.00 0.00 C ATOM 635 O GLN A 30 8.859 -15.647 -10.614 1.00 0.00 O ATOM 636 CB GLN A 30 11.802 -16.948 -11.740 1.00 0.00 C ATOM 637 CG GLN A 30 11.406 -16.136 -12.989 1.00 0.00 C ATOM 638 CD GLN A 30 12.594 -15.391 -13.593 1.00 0.00 C ATOM 639 OE1 GLN A 30 13.282 -15.874 -14.485 1.00 0.00 O ATOM 640 NE2 GLN A 30 12.995 -14.274 -13.022 1.00 0.00 N ATOM 0 H GLN A 30 9.771 -18.125 -12.532 1.00 0.00 H new ATOM 0 HA GLN A 30 10.990 -17.859 -9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.541 -16.381 -11.173 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.286 -17.871 -12.061 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.982 -16.806 -13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.628 -15.421 -12.724 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.439 -13.854 -12.278 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.862 -13.829 -13.324 1.00 0.00 H new ATOM 649 N GLU A 31 10.698 -15.308 -9.377 1.00 0.00 N ATOM 650 CA GLU A 31 10.331 -13.946 -8.967 1.00 0.00 C ATOM 651 C GLU A 31 10.485 -12.983 -10.162 1.00 0.00 C ATOM 652 O GLU A 31 11.484 -13.046 -10.888 1.00 0.00 O ATOM 653 CB GLU A 31 11.191 -13.477 -7.781 1.00 0.00 C ATOM 654 CG GLU A 31 10.944 -14.309 -6.512 1.00 0.00 C ATOM 655 CD GLU A 31 11.744 -13.823 -5.281 1.00 0.00 C ATOM 656 OE1 GLU A 31 12.618 -12.929 -5.398 1.00 0.00 O ATOM 657 OE2 GLU A 31 11.503 -14.354 -4.169 1.00 0.00 O ATOM 0 H GLU A 31 11.552 -15.655 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 31 9.290 -13.948 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.245 -13.539 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.977 -12.429 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.880 -14.285 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.202 -15.348 -6.714 1.00 0.00 H new ATOM 664 N THR A 32 9.500 -12.104 -10.379 1.00 0.00 N ATOM 665 CA THR A 32 9.410 -11.216 -11.559 1.00 0.00 C ATOM 666 C THR A 32 9.004 -9.770 -11.271 1.00 0.00 C ATOM 667 O THR A 32 8.148 -9.514 -10.419 1.00 0.00 O ATOM 668 CB THR A 32 8.599 -11.822 -12.730 1.00 0.00 C ATOM 669 OG1 THR A 32 8.691 -13.232 -12.790 1.00 0.00 O ATOM 670 CG2 THR A 32 9.038 -11.299 -14.100 1.00 0.00 C ATOM 0 H THR A 32 8.723 -11.982 -9.729 1.00 0.00 H new ATOM 0 HA THR A 32 10.448 -11.150 -11.886 1.00 0.00 H new ATOM 0 HB THR A 32 7.575 -11.514 -12.518 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.161 -13.563 -13.545 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.431 -11.762 -14.878 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.909 -10.217 -14.135 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.087 -11.545 -14.264 1.00 0.00 H new ATOM 678 N LEU A 33 9.619 -8.818 -11.978 1.00 0.00 N ATOM 679 CA LEU A 33 9.325 -7.386 -11.883 1.00 0.00 C ATOM 680 C LEU A 33 8.006 -6.994 -12.574 1.00 0.00 C ATOM 681 O LEU A 33 7.577 -7.608 -13.553 1.00 0.00 O ATOM 682 CB LEU A 33 10.470 -6.575 -12.524 1.00 0.00 C ATOM 683 CG LEU A 33 11.864 -6.740 -11.894 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.883 -5.985 -12.748 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.924 -6.191 -10.468 1.00 0.00 C ATOM 0 H LEU A 33 10.356 -9.028 -12.651 1.00 0.00 H new ATOM 0 HA LEU A 33 9.226 -7.161 -10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.536 -6.851 -13.576 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.202 -5.519 -12.488 1.00 0.00 H new ATOM 0 HG LEU A 33 12.086 -7.806 -11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.876 -6.094 -12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.884 -6.393 -13.759 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.617 -4.929 -12.783 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.928 -6.330 -10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.681 -5.128 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.206 -6.722 -9.843 1.00 0.00 H new ATOM 697 N VAL A 34 7.429 -5.895 -12.091 1.00 0.00 N ATOM 698 CA VAL A 34 6.314 -5.131 -12.667 1.00 0.00 C ATOM 699 C VAL A 34 6.673 -3.660 -12.827 1.00 0.00 C ATOM 700 O VAL A 34 7.599 -3.163 -12.175 1.00 0.00 O ATOM 701 CB VAL A 34 4.959 -5.327 -11.944 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.772 -6.750 -11.439 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.720 -4.393 -10.749 1.00 0.00 C ATOM 0 H VAL A 34 7.752 -5.479 -11.217 1.00 0.00 H new ATOM 0 HA VAL A 34 6.157 -5.552 -13.660 1.00 0.00 H new ATOM 0 HB VAL A 34 4.236 -5.084 -12.723 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.807 -6.835 -10.940 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.808 -7.442 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.567 -6.994 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.746 -4.607 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.498 -4.552 -10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.747 -3.357 -11.086 1.00 0.00 H new ATOM 713 N ARG A 35 5.913 -2.953 -13.666 1.00 0.00 N ATOM 714 CA ARG A 35 5.995 -1.495 -13.809 1.00 0.00 C ATOM 715 C ARG A 35 4.801 -0.812 -13.115 1.00 0.00 C ATOM 716 O ARG A 35 3.743 -0.679 -13.735 1.00 0.00 O ATOM 717 CB ARG A 35 6.156 -1.133 -15.298 1.00 0.00 C ATOM 718 CG ARG A 35 6.197 0.375 -15.603 1.00 0.00 C ATOM 719 CD ARG A 35 7.304 1.138 -14.861 1.00 0.00 C ATOM 720 NE ARG A 35 7.310 2.556 -15.265 1.00 0.00 N ATOM 721 CZ ARG A 35 8.039 3.529 -14.752 1.00 0.00 C ATOM 722 NH1 ARG A 35 8.908 3.334 -13.804 1.00 0.00 N ATOM 723 NH2 ARG A 35 7.910 4.746 -15.199 1.00 0.00 N ATOM 0 H ARG A 35 5.214 -3.381 -14.273 1.00 0.00 H new ATOM 0 HA ARG A 35 6.879 -1.111 -13.300 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.074 -1.588 -15.669 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.332 -1.578 -15.855 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.332 0.514 -16.676 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.233 0.813 -15.344 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.149 1.060 -13.785 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.273 0.688 -15.077 1.00 0.00 H new ATOM 0 HE ARG A 35 6.681 2.813 -16.025 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.049 2.397 -13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.449 4.118 -13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.245 4.947 -15.946 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.474 5.498 -14.802 1.00 0.00 H new ATOM 737 N PRO A 36 4.925 -0.401 -11.838 1.00 0.00 N ATOM 738 CA PRO A 36 3.907 0.418 -11.180 1.00 0.00 C ATOM 739 C PRO A 36 3.784 1.811 -11.822 1.00 0.00 C ATOM 740 O PRO A 36 4.741 2.319 -12.417 1.00 0.00 O ATOM 741 CB PRO A 36 4.330 0.489 -9.708 1.00 0.00 C ATOM 742 CG PRO A 36 5.840 0.278 -9.738 1.00 0.00 C ATOM 743 CD PRO A 36 6.042 -0.653 -10.931 1.00 0.00 C ATOM 0 HA PRO A 36 2.914 -0.018 -11.284 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.072 1.451 -9.266 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.833 -0.278 -9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.375 1.219 -9.867 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.202 -0.170 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.995 -0.455 -11.422 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.058 -1.695 -10.613 1.00 0.00 H new ATOM 751 N LYS A 37 2.614 2.452 -11.672 1.00 0.00 N ATOM 752 CA LYS A 37 2.385 3.857 -12.068 1.00 0.00 C ATOM 753 C LYS A 37 3.403 4.814 -11.419 1.00 0.00 C ATOM 754 O LYS A 37 3.813 4.557 -10.285 1.00 0.00 O ATOM 755 CB LYS A 37 0.946 4.295 -11.715 1.00 0.00 C ATOM 756 CG LYS A 37 -0.115 3.667 -12.633 1.00 0.00 C ATOM 757 CD LYS A 37 -1.503 4.316 -12.488 1.00 0.00 C ATOM 758 CE LYS A 37 -2.070 4.256 -11.061 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.456 4.794 -11.004 1.00 0.00 N ATOM 0 H LYS A 37 1.789 2.007 -11.268 1.00 0.00 H new ATOM 0 HA LYS A 37 2.521 3.911 -13.148 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.732 4.022 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.877 5.381 -11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.213 3.754 -13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.194 2.603 -12.411 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.441 5.358 -12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.198 3.821 -13.166 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.064 3.225 -10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.429 4.826 -10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.810 4.739 -10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.457 5.786 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.072 4.234 -11.627 1.00 0.00 H new ATOM 773 N PRO A 38 3.757 5.951 -12.052 1.00 0.00 N ATOM 774 CA PRO A 38 4.675 6.934 -11.460 1.00 0.00 C ATOM 775 C PRO A 38 4.163 7.500 -10.123 1.00 0.00 C ATOM 776 O PRO A 38 4.957 7.743 -9.214 1.00 0.00 O ATOM 777 CB PRO A 38 4.846 8.025 -12.526 1.00 0.00 C ATOM 778 CG PRO A 38 3.586 7.910 -13.384 1.00 0.00 C ATOM 779 CD PRO A 38 3.296 6.411 -13.355 1.00 0.00 C ATOM 0 HA PRO A 38 5.628 6.473 -11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.932 9.013 -12.074 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.747 7.866 -13.118 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.761 8.490 -12.971 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.753 8.271 -14.399 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.232 6.214 -13.487 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.818 5.895 -14.161 1.00 0.00 H new ATOM 787 N LEU A 39 2.839 7.629 -9.960 1.00 0.00 N ATOM 788 CA LEU A 39 2.191 8.035 -8.706 1.00 0.00 C ATOM 789 C LEU A 39 2.452 7.037 -7.559 1.00 0.00 C ATOM 790 O LEU A 39 2.718 7.445 -6.429 1.00 0.00 O ATOM 791 CB LEU A 39 0.682 8.203 -8.987 1.00 0.00 C ATOM 792 CG LEU A 39 -0.139 8.779 -7.816 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.196 10.254 -7.578 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.632 8.683 -8.126 1.00 0.00 C ATOM 0 H LEU A 39 2.175 7.450 -10.713 1.00 0.00 H new ATOM 0 HA LEU A 39 2.616 8.980 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.559 8.855 -9.852 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.268 7.232 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 39 0.110 8.199 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.398 10.633 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.255 10.353 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.030 10.828 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.204 9.092 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.853 9.249 -9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.906 7.639 -8.276 1.00 0.00 H new ATOM 806 N LEU A 40 2.415 5.732 -7.857 1.00 0.00 N ATOM 807 CA LEU A 40 2.719 4.666 -6.899 1.00 0.00 C ATOM 808 C LEU A 40 4.220 4.575 -6.622 1.00 0.00 C ATOM 809 O LEU A 40 4.638 4.521 -5.471 1.00 0.00 O ATOM 810 CB LEU A 40 2.159 3.330 -7.424 1.00 0.00 C ATOM 811 CG LEU A 40 2.450 2.127 -6.505 1.00 0.00 C ATOM 812 CD1 LEU A 40 1.889 2.329 -5.097 1.00 0.00 C ATOM 813 CD2 LEU A 40 1.800 0.871 -7.077 1.00 0.00 C ATOM 0 H LEU A 40 2.169 5.384 -8.784 1.00 0.00 H new ATOM 0 HA LEU A 40 2.239 4.899 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.081 3.424 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.581 3.132 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 40 3.534 2.029 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.118 1.456 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.340 3.215 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.808 2.460 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.009 0.024 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.722 1.019 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.204 0.672 -8.070 1.00 0.00 H new ATOM 825 N LEU A 41 5.037 4.613 -7.674 1.00 0.00 N ATOM 826 CA LEU A 41 6.496 4.591 -7.583 1.00 0.00 C ATOM 827 C LEU A 41 7.038 5.727 -6.696 1.00 0.00 C ATOM 828 O LEU A 41 7.927 5.501 -5.874 1.00 0.00 O ATOM 829 CB LEU A 41 7.036 4.634 -9.022 1.00 0.00 C ATOM 830 CG LEU A 41 8.560 4.761 -9.147 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.289 3.645 -8.406 1.00 0.00 C ATOM 832 CD2 LEU A 41 8.949 4.691 -10.621 1.00 0.00 C ATOM 0 H LEU A 41 4.695 4.661 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 41 6.840 3.681 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.720 3.728 -9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.574 5.474 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 41 8.849 5.715 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.365 3.774 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.030 3.681 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.993 2.681 -8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.031 4.781 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.626 3.737 -11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.468 5.505 -11.163 1.00 0.00 H new ATOM 844 N LYS A 42 6.452 6.927 -6.788 1.00 0.00 N ATOM 845 CA LYS A 42 6.764 8.064 -5.909 1.00 0.00 C ATOM 846 C LYS A 42 6.487 7.768 -4.425 1.00 0.00 C ATOM 847 O LYS A 42 7.279 8.165 -3.571 1.00 0.00 O ATOM 848 CB LYS A 42 5.959 9.282 -6.395 1.00 0.00 C ATOM 849 CG LYS A 42 6.223 10.552 -5.568 1.00 0.00 C ATOM 850 CD LYS A 42 5.534 11.795 -6.151 1.00 0.00 C ATOM 851 CE LYS A 42 4.002 11.705 -6.080 1.00 0.00 C ATOM 852 NZ LYS A 42 3.364 12.954 -6.577 1.00 0.00 N ATOM 0 H LYS A 42 5.738 7.140 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 42 7.833 8.267 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.204 9.478 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.896 9.046 -6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.875 10.394 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.297 10.729 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.868 12.680 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.840 11.923 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.657 10.857 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.694 11.521 -5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.330 12.863 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.675 13.758 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.640 13.115 -7.567 1.00 0.00 H new ATOM 866 N LEU A 43 5.413 7.036 -4.110 1.00 0.00 N ATOM 867 CA LEU A 43 5.121 6.571 -2.744 1.00 0.00 C ATOM 868 C LEU A 43 6.230 5.641 -2.227 1.00 0.00 C ATOM 869 O LEU A 43 6.732 5.854 -1.124 1.00 0.00 O ATOM 870 CB LEU A 43 3.715 5.931 -2.690 1.00 0.00 C ATOM 871 CG LEU A 43 3.227 5.533 -1.281 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.699 5.473 -1.272 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.712 4.147 -0.835 1.00 0.00 C ATOM 0 H LEU A 43 4.717 6.746 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 43 5.108 7.426 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.998 6.630 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.713 5.043 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 43 3.630 6.285 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.352 5.192 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.295 6.451 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.360 4.733 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.332 3.932 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.347 3.392 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.802 4.130 -0.820 1.00 0.00 H new ATOM 885 N LEU A 44 6.686 4.677 -3.037 1.00 0.00 N ATOM 886 CA LEU A 44 7.817 3.803 -2.678 1.00 0.00 C ATOM 887 C LEU A 44 9.108 4.619 -2.462 1.00 0.00 C ATOM 888 O LEU A 44 9.846 4.408 -1.500 1.00 0.00 O ATOM 889 CB LEU A 44 8.037 2.688 -3.729 1.00 0.00 C ATOM 890 CG LEU A 44 6.784 2.052 -4.362 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.186 0.977 -5.372 1.00 0.00 C ATOM 892 CD2 LEU A 44 5.825 1.429 -3.348 1.00 0.00 C ATOM 0 H LEU A 44 6.286 4.479 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 44 7.562 3.319 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.649 3.099 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.618 1.893 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 44 6.257 2.873 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.291 0.537 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.793 1.426 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.762 0.201 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.969 1.003 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.340 0.644 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.481 2.196 -2.654 1.00 0.00 H new ATOM 904 N LYS A 45 9.360 5.613 -3.319 1.00 0.00 N ATOM 905 CA LYS A 45 10.496 6.544 -3.205 1.00 0.00 C ATOM 906 C LYS A 45 10.453 7.466 -1.984 1.00 0.00 C ATOM 907 O LYS A 45 11.516 7.821 -1.476 1.00 0.00 O ATOM 908 CB LYS A 45 10.622 7.342 -4.504 1.00 0.00 C ATOM 909 CG LYS A 45 11.282 6.477 -5.583 1.00 0.00 C ATOM 910 CD LYS A 45 11.047 7.076 -6.964 1.00 0.00 C ATOM 911 CE LYS A 45 11.871 6.320 -8.002 1.00 0.00 C ATOM 912 NZ LYS A 45 11.932 7.045 -9.299 1.00 0.00 N ATOM 0 H LYS A 45 8.770 5.800 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 45 11.385 5.934 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.637 7.668 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.214 8.241 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.352 6.399 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.877 5.466 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.988 7.023 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.323 8.130 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.882 6.169 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.439 5.332 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.501 6.498 -9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.970 7.167 -9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.368 7.978 -9.155 1.00 0.00 H new ATOM 926 N SER A 46 9.273 7.788 -1.448 1.00 0.00 N ATOM 927 CA SER A 46 9.148 8.552 -0.193 1.00 0.00 C ATOM 928 C SER A 46 9.699 7.782 1.023 1.00 0.00 C ATOM 929 O SER A 46 10.167 8.402 1.981 1.00 0.00 O ATOM 930 CB SER A 46 7.695 8.987 0.038 1.00 0.00 C ATOM 931 OG SER A 46 6.898 7.946 0.564 1.00 0.00 O ATOM 0 H SER A 46 8.379 7.530 -1.865 1.00 0.00 H new ATOM 0 HA SER A 46 9.762 9.446 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.677 9.836 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.267 9.328 -0.904 1.00 0.00 H new ATOM 0 HG SER A 46 6.676 7.312 -0.149 1.00 0.00 H new ATOM 937 N VAL A 47 9.728 6.440 0.957 1.00 0.00 N ATOM 938 CA VAL A 47 10.414 5.543 1.912 1.00 0.00 C ATOM 939 C VAL A 47 11.756 5.000 1.374 1.00 0.00 C ATOM 940 O VAL A 47 12.332 4.075 1.949 1.00 0.00 O ATOM 941 CB VAL A 47 9.475 4.443 2.455 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.237 5.040 3.132 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.005 3.459 1.380 1.00 0.00 C ATOM 0 H VAL A 47 9.258 5.928 0.211 1.00 0.00 H new ATOM 0 HA VAL A 47 10.685 6.155 2.772 1.00 0.00 H new ATOM 0 HB VAL A 47 10.077 3.898 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.601 4.236 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.547 5.670 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.682 5.640 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.349 2.714 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.462 3.999 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.869 2.962 0.938 1.00 0.00 H new ATOM 953 N GLY A 48 12.292 5.600 0.303 1.00 0.00 N ATOM 954 CA GLY A 48 13.656 5.381 -0.192 1.00 0.00 C ATOM 955 C GLY A 48 13.858 4.224 -1.177 1.00 0.00 C ATOM 956 O GLY A 48 14.956 3.660 -1.214 1.00 0.00 O ATOM 0 H GLY A 48 11.771 6.272 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.994 6.299 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.306 5.213 0.667 1.00 0.00 H new ATOM 960 N ALA A 49 12.849 3.842 -1.969 1.00 0.00 N ATOM 961 CA ALA A 49 12.988 2.782 -2.965 1.00 0.00 C ATOM 962 C ALA A 49 13.862 3.271 -4.151 1.00 0.00 C ATOM 963 O ALA A 49 13.559 4.292 -4.770 1.00 0.00 O ATOM 964 CB ALA A 49 11.571 2.339 -3.343 1.00 0.00 C ATOM 0 H ALA A 49 11.919 4.259 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 49 13.519 1.910 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.625 1.545 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.056 1.970 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.023 3.186 -3.755 1.00 0.00 H new ATOM 970 N GLN A 50 14.975 2.586 -4.444 1.00 0.00 N ATOM 971 CA GLN A 50 16.026 3.080 -5.358 1.00 0.00 C ATOM 972 C GLN A 50 15.747 2.932 -6.871 1.00 0.00 C ATOM 973 O GLN A 50 16.142 3.803 -7.654 1.00 0.00 O ATOM 974 CB GLN A 50 17.348 2.389 -4.959 1.00 0.00 C ATOM 975 CG GLN A 50 18.593 2.746 -5.794 1.00 0.00 C ATOM 976 CD GLN A 50 19.019 4.211 -5.677 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.822 4.591 -4.834 1.00 0.00 O ATOM 978 NE2 GLN A 50 18.393 5.115 -6.403 1.00 0.00 N ATOM 0 H GLN A 50 15.178 1.666 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 50 16.070 4.162 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.557 2.629 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.199 1.311 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.422 2.111 -5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.394 2.518 -6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.720 4.823 -7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.582 6.107 -6.257 1.00 0.00 H new ATOM 987 N LYS A 51 15.123 1.829 -7.294 1.00 0.00 N ATOM 988 CA LYS A 51 14.863 1.447 -8.700 1.00 0.00 C ATOM 989 C LYS A 51 13.508 1.944 -9.241 1.00 0.00 C ATOM 990 O LYS A 51 12.789 2.680 -8.566 1.00 0.00 O ATOM 991 CB LYS A 51 15.123 -0.070 -8.875 1.00 0.00 C ATOM 992 CG LYS A 51 14.422 -1.025 -7.898 1.00 0.00 C ATOM 993 CD LYS A 51 15.085 -2.412 -7.943 1.00 0.00 C ATOM 994 CE LYS A 51 14.345 -3.432 -7.068 1.00 0.00 C ATOM 995 NZ LYS A 51 13.155 -3.976 -7.760 1.00 0.00 N ATOM 0 H LYS A 51 14.764 1.137 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 51 15.570 1.973 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.828 -0.348 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.197 -0.239 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.472 -0.623 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.366 -1.110 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.110 -2.768 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.119 -2.330 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.020 -4.247 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.040 -2.959 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.502 -4.382 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.676 -3.212 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.450 -4.716 -8.428 1.00 0.00 H new ATOM 1009 N ASP A 52 13.184 1.582 -10.484 1.00 0.00 N ATOM 1010 CA ASP A 52 12.004 2.026 -11.253 1.00 0.00 C ATOM 1011 C ASP A 52 10.990 0.915 -11.615 1.00 0.00 C ATOM 1012 O ASP A 52 9.986 1.162 -12.292 1.00 0.00 O ATOM 1013 CB ASP A 52 12.464 2.794 -12.506 1.00 0.00 C ATOM 1014 CG ASP A 52 13.427 2.021 -13.431 1.00 0.00 C ATOM 1015 OD1 ASP A 52 13.612 0.791 -13.265 1.00 0.00 O ATOM 1016 OD2 ASP A 52 13.998 2.659 -14.348 1.00 0.00 O ATOM 0 H ASP A 52 13.766 0.935 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 52 11.445 2.683 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.584 3.080 -13.081 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.951 3.716 -12.189 1.00 0.00 H new ATOM 1021 N THR A 53 11.254 -0.311 -11.164 1.00 0.00 N ATOM 1022 CA THR A 53 10.512 -1.546 -11.477 1.00 0.00 C ATOM 1023 C THR A 53 10.635 -2.414 -10.222 1.00 0.00 C ATOM 1024 O THR A 53 11.689 -2.462 -9.582 1.00 0.00 O ATOM 1025 CB THR A 53 11.173 -2.333 -12.626 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.581 -2.188 -12.664 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.638 -1.936 -13.996 1.00 0.00 C ATOM 0 H THR A 53 12.036 -0.486 -10.533 1.00 0.00 H new ATOM 0 HA THR A 53 9.489 -1.304 -11.767 1.00 0.00 H new ATOM 0 HB THR A 53 10.918 -3.371 -12.411 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.808 -1.269 -12.916 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.139 -2.522 -14.766 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.565 -2.125 -14.037 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.826 -0.876 -14.167 1.00 0.00 H new ATOM 1035 N TYR A 54 9.561 -3.117 -9.856 1.00 0.00 N ATOM 1036 CA TYR A 54 9.443 -3.818 -8.567 1.00 0.00 C ATOM 1037 C TYR A 54 8.613 -5.104 -8.595 1.00 0.00 C ATOM 1038 O TYR A 54 7.712 -5.217 -9.416 1.00 0.00 O ATOM 1039 CB TYR A 54 8.917 -2.847 -7.496 1.00 0.00 C ATOM 1040 CG TYR A 54 9.881 -1.744 -7.101 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.898 -1.990 -6.158 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.774 -0.470 -7.698 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.795 -0.968 -5.800 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.670 0.552 -7.344 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.681 0.300 -6.399 1.00 0.00 C ATOM 1046 OH TYR A 54 12.579 1.269 -6.107 1.00 0.00 O ATOM 0 H TYR A 54 8.738 -3.219 -10.450 1.00 0.00 H new ATOM 0 HA TYR A 54 10.450 -4.153 -8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.997 -2.391 -7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.658 -3.419 -6.605 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.989 -2.968 -5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.002 -0.280 -8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.568 -1.155 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.583 1.529 -7.796 1.00 0.00 H new ATOM 0 HH TYR A 54 12.600 1.926 -6.834 1.00 0.00 H new ATOM 1056 N THR A 55 8.880 -6.079 -7.727 1.00 0.00 N ATOM 1057 CA THR A 55 7.960 -7.219 -7.515 1.00 0.00 C ATOM 1058 C THR A 55 6.702 -6.841 -6.727 1.00 0.00 C ATOM 1059 O THR A 55 6.725 -5.867 -5.974 1.00 0.00 O ATOM 1060 CB THR A 55 8.628 -8.490 -6.957 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.608 -8.470 -5.545 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.069 -8.716 -7.414 1.00 0.00 C ATOM 0 H THR A 55 9.724 -6.111 -7.154 1.00 0.00 H new ATOM 0 HA THR A 55 7.639 -7.483 -8.523 1.00 0.00 H new ATOM 0 HB THR A 55 8.039 -9.313 -7.360 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.033 -9.283 -5.200 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.452 -9.634 -6.969 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.097 -8.800 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.687 -7.875 -7.099 1.00 0.00 H new ATOM 1070 N MET A 56 5.608 -7.607 -6.825 1.00 0.00 N ATOM 1071 CA MET A 56 4.421 -7.366 -5.984 1.00 0.00 C ATOM 1072 C MET A 56 4.734 -7.391 -4.479 1.00 0.00 C ATOM 1073 O MET A 56 4.227 -6.549 -3.736 1.00 0.00 O ATOM 1074 CB MET A 56 3.298 -8.358 -6.324 1.00 0.00 C ATOM 1075 CG MET A 56 2.489 -7.881 -7.534 1.00 0.00 C ATOM 1076 SD MET A 56 1.456 -6.426 -7.186 1.00 0.00 S ATOM 1077 CE MET A 56 0.929 -6.040 -8.871 1.00 0.00 C ATOM 0 H MET A 56 5.517 -8.392 -7.470 1.00 0.00 H new ATOM 0 HA MET A 56 4.081 -6.356 -6.213 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.726 -9.339 -6.532 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.638 -8.474 -5.464 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.174 -7.645 -8.349 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.852 -8.695 -7.879 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.280 -5.165 -8.858 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.804 -5.833 -9.488 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.385 -6.889 -9.286 1.00 0.00 H new ATOM 1087 N LYS A 57 5.622 -8.292 -4.029 1.00 0.00 N ATOM 1088 CA LYS A 57 6.110 -8.323 -2.640 1.00 0.00 C ATOM 1089 C LYS A 57 6.952 -7.095 -2.285 1.00 0.00 C ATOM 1090 O LYS A 57 6.791 -6.564 -1.191 1.00 0.00 O ATOM 1091 CB LYS A 57 6.837 -9.650 -2.361 1.00 0.00 C ATOM 1092 CG LYS A 57 7.563 -9.650 -1.003 1.00 0.00 C ATOM 1093 CD LYS A 57 7.823 -11.070 -0.488 1.00 0.00 C ATOM 1094 CE LYS A 57 8.785 -11.039 0.705 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.022 -12.400 1.254 1.00 0.00 N ATOM 0 H LYS A 57 6.023 -9.021 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 57 5.246 -8.274 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.116 -10.467 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.559 -9.839 -3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.511 -9.121 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.966 -9.104 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.882 -11.534 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.243 -11.682 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.734 -10.601 0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.376 -10.397 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.677 -12.340 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.120 -12.808 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.435 -13.005 0.516 1.00 0.00 H new ATOM 1109 N GLU A 58 7.797 -6.599 -3.189 1.00 0.00 N ATOM 1110 CA GLU A 58 8.552 -5.352 -2.974 1.00 0.00 C ATOM 1111 C GLU A 58 7.641 -4.118 -2.857 1.00 0.00 C ATOM 1112 O GLU A 58 7.803 -3.322 -1.929 1.00 0.00 O ATOM 1113 CB GLU A 58 9.577 -5.143 -4.095 1.00 0.00 C ATOM 1114 CG GLU A 58 10.764 -6.114 -4.017 1.00 0.00 C ATOM 1115 CD GLU A 58 11.722 -5.983 -5.217 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.338 -5.417 -6.269 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.885 -6.437 -5.113 1.00 0.00 O ATOM 0 H GLU A 58 7.981 -7.043 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 58 9.071 -5.462 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.081 -5.262 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.950 -4.120 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.317 -5.932 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.389 -7.136 -3.967 1.00 0.00 H new ATOM 1124 N VAL A 59 6.647 -3.976 -3.747 1.00 0.00 N ATOM 1125 CA VAL A 59 5.652 -2.889 -3.687 1.00 0.00 C ATOM 1126 C VAL A 59 4.849 -2.964 -2.382 1.00 0.00 C ATOM 1127 O VAL A 59 4.745 -1.960 -1.676 1.00 0.00 O ATOM 1128 CB VAL A 59 4.709 -2.905 -4.911 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.671 -1.780 -4.860 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.464 -2.723 -6.235 1.00 0.00 C ATOM 0 H VAL A 59 6.508 -4.613 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 59 6.196 -1.945 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 59 4.229 -3.882 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.032 -1.834 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.061 -1.888 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.180 -0.816 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.756 -2.742 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.988 -1.767 -6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.186 -3.531 -6.356 1.00 0.00 H new ATOM 1140 N LEU A 60 4.334 -4.148 -2.018 1.00 0.00 N ATOM 1141 CA LEU A 60 3.647 -4.372 -0.742 1.00 0.00 C ATOM 1142 C LEU A 60 4.557 -4.050 0.453 1.00 0.00 C ATOM 1143 O LEU A 60 4.119 -3.350 1.362 1.00 0.00 O ATOM 1144 CB LEU A 60 3.138 -5.825 -0.652 1.00 0.00 C ATOM 1145 CG LEU A 60 1.878 -6.115 -1.490 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.641 -7.624 -1.560 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.628 -5.480 -0.874 1.00 0.00 C ATOM 0 H LEU A 60 4.384 -4.980 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 60 2.794 -3.695 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.935 -6.496 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.926 -6.058 0.391 1.00 0.00 H new ATOM 0 HG LEU A 60 2.047 -5.693 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.749 -7.825 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.502 -8.106 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.503 -8.018 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.239 -5.707 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.472 -5.880 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.760 -4.399 -0.816 1.00 0.00 H new ATOM 1159 N PHE A 61 5.814 -4.502 0.459 1.00 0.00 N ATOM 1160 CA PHE A 61 6.789 -4.154 1.496 1.00 0.00 C ATOM 1161 C PHE A 61 6.951 -2.654 1.752 1.00 0.00 C ATOM 1162 O PHE A 61 6.702 -2.172 2.860 1.00 0.00 O ATOM 1163 CB PHE A 61 8.121 -4.904 1.304 1.00 0.00 C ATOM 1164 CG PHE A 61 9.289 -4.345 2.099 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.538 -4.810 3.405 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.118 -3.348 1.546 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.591 -4.265 4.162 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.171 -2.804 2.304 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.405 -3.259 3.613 1.00 0.00 C ATOM 0 H PHE A 61 6.186 -5.123 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 61 6.360 -4.514 2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.977 -5.948 1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.380 -4.889 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.918 -5.588 3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.944 -3.001 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.774 -4.620 5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.800 -2.036 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.209 -2.836 4.197 1.00 0.00 H new ATOM 1179 N TYR A 62 7.283 -1.905 0.699 1.00 0.00 N ATOM 1180 CA TYR A 62 7.401 -0.451 0.768 1.00 0.00 C ATOM 1181 C TYR A 62 6.123 0.295 1.177 1.00 0.00 C ATOM 1182 O TYR A 62 6.175 1.218 1.990 1.00 0.00 O ATOM 1183 CB TYR A 62 8.009 0.108 -0.525 1.00 0.00 C ATOM 1184 CG TYR A 62 9.488 -0.160 -0.741 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.450 0.307 0.178 1.00 0.00 C ATOM 1186 CD2 TYR A 62 9.907 -0.854 -1.893 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.823 0.099 -0.061 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.275 -1.082 -2.125 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.239 -0.599 -1.217 1.00 0.00 C ATOM 1190 OH TYR A 62 13.563 -0.803 -1.462 1.00 0.00 O ATOM 0 H TYR A 62 7.477 -2.291 -0.225 1.00 0.00 H new ATOM 0 HA TYR A 62 8.086 -0.258 1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.459 -0.307 -1.370 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.850 1.186 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.133 0.827 1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.174 -1.212 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.556 0.473 0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.588 -1.629 -3.002 1.00 0.00 H new ATOM 0 HH TYR A 62 13.668 -1.301 -2.299 1.00 0.00 H new ATOM 1200 N LEU A 63 4.963 -0.144 0.675 1.00 0.00 N ATOM 1201 CA LEU A 63 3.659 0.411 1.026 1.00 0.00 C ATOM 1202 C LEU A 63 3.292 0.157 2.501 1.00 0.00 C ATOM 1203 O LEU A 63 2.864 1.080 3.190 1.00 0.00 O ATOM 1204 CB LEU A 63 2.622 -0.153 0.037 1.00 0.00 C ATOM 1205 CG LEU A 63 1.165 0.222 0.349 1.00 0.00 C ATOM 1206 CD1 LEU A 63 0.949 1.730 0.416 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.244 -0.325 -0.742 1.00 0.00 C ATOM 0 H LEU A 63 4.908 -0.908 0.002 1.00 0.00 H new ATOM 0 HA LEU A 63 3.681 1.497 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.867 0.200 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.708 -1.240 0.022 1.00 0.00 H new ATOM 0 HG LEU A 63 0.937 -0.210 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.097 1.938 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.578 2.153 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.212 2.178 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.788 -0.056 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.527 0.101 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.335 -1.410 -0.785 1.00 0.00 H new ATOM 1219 N GLY A 64 3.521 -1.049 3.025 1.00 0.00 N ATOM 1220 CA GLY A 64 3.282 -1.360 4.439 1.00 0.00 C ATOM 1221 C GLY A 64 4.171 -0.542 5.381 1.00 0.00 C ATOM 1222 O GLY A 64 3.686 0.031 6.357 1.00 0.00 O ATOM 0 H GLY A 64 3.877 -1.837 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.235 -1.170 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.460 -2.422 4.609 1.00 0.00 H new ATOM 1226 N GLN A 65 5.459 -0.403 5.046 1.00 0.00 N ATOM 1227 CA GLN A 65 6.385 0.483 5.762 1.00 0.00 C ATOM 1228 C GLN A 65 5.970 1.966 5.672 1.00 0.00 C ATOM 1229 O GLN A 65 6.104 2.702 6.653 1.00 0.00 O ATOM 1230 CB GLN A 65 7.817 0.271 5.235 1.00 0.00 C ATOM 1231 CG GLN A 65 8.385 -1.134 5.524 1.00 0.00 C ATOM 1232 CD GLN A 65 8.592 -1.440 7.008 1.00 0.00 C ATOM 1233 OE1 GLN A 65 8.908 -0.584 7.823 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.443 -2.683 7.416 1.00 0.00 N ATOM 0 H GLN A 65 5.890 -0.903 4.268 1.00 0.00 H new ATOM 0 HA GLN A 65 6.350 0.221 6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.827 0.442 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.473 1.017 5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.710 -1.879 5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.339 -1.240 5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.180 -3.410 6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.591 -2.919 8.397 1.00 0.00 H new ATOM 1243 N TYR A 66 5.397 2.398 4.540 1.00 0.00 N ATOM 1244 CA TYR A 66 4.814 3.730 4.376 1.00 0.00 C ATOM 1245 C TYR A 66 3.615 3.997 5.291 1.00 0.00 C ATOM 1246 O TYR A 66 3.607 4.970 6.042 1.00 0.00 O ATOM 1247 CB TYR A 66 4.556 4.043 2.894 1.00 0.00 C ATOM 1248 CG TYR A 66 3.751 5.298 2.602 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.341 5.280 2.606 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.431 6.484 2.265 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.618 6.442 2.265 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.715 7.637 1.901 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.305 7.616 1.887 1.00 0.00 C ATOM 1254 OH TYR A 66 1.629 8.735 1.516 1.00 0.00 O ATOM 0 H TYR A 66 5.326 1.821 3.702 1.00 0.00 H new ATOM 0 HA TYR A 66 5.559 4.448 4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.519 4.129 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.038 3.193 2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.814 4.375 2.871 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.511 6.508 2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.538 6.434 2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.244 8.539 1.632 1.00 0.00 H new ATOM 0 HH TYR A 66 0.668 8.598 1.654 1.00 0.00 H new ATOM 1264 N ILE A 67 2.646 3.077 5.305 1.00 0.00 N ATOM 1265 CA ILE A 67 1.445 3.147 6.151 1.00 0.00 C ATOM 1266 C ILE A 67 1.814 3.210 7.642 1.00 0.00 C ATOM 1267 O ILE A 67 1.231 4.008 8.381 1.00 0.00 O ATOM 1268 CB ILE A 67 0.504 1.959 5.836 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.035 2.049 4.389 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.678 1.904 6.822 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.509 0.701 3.829 1.00 0.00 C ATOM 0 H ILE A 67 2.673 2.244 4.717 1.00 0.00 H new ATOM 0 HA ILE A 67 0.910 4.069 5.923 1.00 0.00 H new ATOM 0 HB ILE A 67 1.091 1.047 5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.863 2.757 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.747 2.448 3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.320 1.059 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.300 1.786 7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.252 2.828 6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.874 0.838 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.322 -0.004 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.313 0.310 4.453 1.00 0.00 H new ATOM 1283 N MET A 68 2.820 2.435 8.072 1.00 0.00 N ATOM 1284 CA MET A 68 3.350 2.482 9.439 1.00 0.00 C ATOM 1285 C MET A 68 4.008 3.818 9.798 1.00 0.00 C ATOM 1286 O MET A 68 3.645 4.413 10.810 1.00 0.00 O ATOM 1287 CB MET A 68 4.334 1.337 9.694 1.00 0.00 C ATOM 1288 CG MET A 68 3.600 -0.001 9.816 1.00 0.00 C ATOM 1289 SD MET A 68 4.554 -1.327 10.597 1.00 0.00 S ATOM 1290 CE MET A 68 5.867 -1.513 9.366 1.00 0.00 C ATOM 0 H MET A 68 3.291 1.754 7.476 1.00 0.00 H new ATOM 0 HA MET A 68 2.481 2.369 10.088 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.057 1.286 8.880 1.00 0.00 H new ATOM 0 HB3 MET A 68 4.896 1.532 10.607 1.00 0.00 H new ATOM 0 HG2 MET A 68 2.685 0.154 10.388 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.301 -0.327 8.820 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.484 -2.375 9.619 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.424 -1.660 8.381 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.485 -0.615 9.355 1.00 0.00 H new ATOM 1300 N THR A 69 4.947 4.321 8.990 1.00 0.00 N ATOM 1301 CA THR A 69 5.608 5.613 9.271 1.00 0.00 C ATOM 1302 C THR A 69 4.681 6.833 9.203 1.00 0.00 C ATOM 1303 O THR A 69 4.773 7.750 10.026 1.00 0.00 O ATOM 1304 CB THR A 69 6.921 5.767 8.485 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.752 6.705 9.134 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.736 6.235 7.044 1.00 0.00 C ATOM 0 H THR A 69 5.270 3.861 8.139 1.00 0.00 H new ATOM 0 HA THR A 69 5.888 5.583 10.324 1.00 0.00 H new ATOM 0 HB THR A 69 7.362 4.771 8.454 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.589 6.802 8.634 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.709 6.318 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.122 5.514 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.244 7.208 7.038 1.00 0.00 H new ATOM 1314 N LYS A 70 3.702 6.805 8.289 1.00 0.00 N ATOM 1315 CA LYS A 70 2.644 7.820 8.125 1.00 0.00 C ATOM 1316 C LYS A 70 1.507 7.729 9.157 1.00 0.00 C ATOM 1317 O LYS A 70 0.737 8.683 9.280 1.00 0.00 O ATOM 1318 CB LYS A 70 2.073 7.696 6.701 1.00 0.00 C ATOM 1319 CG LYS A 70 3.074 8.034 5.579 1.00 0.00 C ATOM 1320 CD LYS A 70 3.098 9.508 5.152 1.00 0.00 C ATOM 1321 CE LYS A 70 1.756 9.906 4.525 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.877 11.085 3.633 1.00 0.00 N ATOM 0 H LYS A 70 3.619 6.045 7.614 1.00 0.00 H new ATOM 0 HA LYS A 70 3.106 8.793 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.713 6.677 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.209 8.355 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.074 7.750 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.839 7.423 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.304 10.140 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.904 9.673 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.359 9.064 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.039 10.124 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.997 11.203 3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.049 11.937 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.671 10.943 2.976 1.00 0.00 H new ATOM 1336 N ARG A 71 1.387 6.607 9.888 1.00 0.00 N ATOM 1337 CA ARG A 71 0.335 6.325 10.894 1.00 0.00 C ATOM 1338 C ARG A 71 -1.099 6.474 10.350 1.00 0.00 C ATOM 1339 O ARG A 71 -1.966 7.068 10.993 1.00 0.00 O ATOM 1340 CB ARG A 71 0.610 7.114 12.196 1.00 0.00 C ATOM 1341 CG ARG A 71 1.827 6.583 12.977 1.00 0.00 C ATOM 1342 CD ARG A 71 2.663 7.703 13.607 1.00 0.00 C ATOM 1343 NE ARG A 71 3.446 8.423 12.583 1.00 0.00 N ATOM 1344 CZ ARG A 71 3.722 9.712 12.520 1.00 0.00 C ATOM 1345 NH1 ARG A 71 3.321 10.567 13.418 1.00 0.00 N ATOM 1346 NH2 ARG A 71 4.430 10.156 11.525 1.00 0.00 N ATOM 0 H ARG A 71 2.047 5.835 9.793 1.00 0.00 H new ATOM 0 HA ARG A 71 0.393 5.266 11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.773 8.163 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.272 7.069 12.835 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.484 5.907 13.760 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.457 5.999 12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.007 8.402 14.126 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.336 7.282 14.354 1.00 0.00 H new ATOM 0 HE ARG A 71 3.822 7.851 11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.768 10.249 14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.560 11.554 13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.763 9.511 10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.653 11.149 11.461 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.350 5.952 9.142 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.650 6.076 8.450 1.00 0.00 C ATOM 1362 C LEU A 72 -3.758 5.172 9.021 1.00 0.00 C ATOM 1363 O LEU A 72 -4.927 5.351 8.684 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.492 5.818 6.938 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.461 6.704 6.223 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.379 6.329 4.746 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.814 8.186 6.326 1.00 0.00 C ATOM 0 H LEU A 72 -0.656 5.428 8.610 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.972 7.103 8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.213 4.775 6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.461 5.959 6.459 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.502 6.537 6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.645 6.964 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.079 5.285 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.354 6.470 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.059 8.777 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.788 8.361 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.847 8.480 7.375 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.419 4.189 9.857 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.396 3.316 10.513 1.00 0.00 C ATOM 1381 C TYR A 73 -5.342 3.950 11.549 1.00 0.00 C ATOM 1382 O TYR A 73 -4.993 4.939 12.197 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.772 1.995 10.981 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.426 2.120 11.673 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.328 2.815 12.895 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -1.277 1.535 11.107 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -1.086 2.933 13.549 1.00 0.00 C ATOM 1388 CE2 TYR A 73 -0.038 1.633 11.766 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.063 2.332 12.987 1.00 0.00 C ATOM 1390 OH TYR A 73 1.260 2.390 13.632 1.00 0.00 O ATOM 0 H TYR A 73 -2.452 3.974 10.100 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.094 3.093 9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.468 1.505 11.662 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.658 1.340 10.117 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.210 3.259 13.332 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.347 1.010 10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.012 3.481 14.477 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.839 1.172 11.336 1.00 0.00 H new ATOM 0 HH TYR A 73 1.118 2.664 14.562 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.531 3.368 11.737 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.427 3.714 12.845 1.00 0.00 C ATOM 1402 C ASP A 74 -6.803 3.420 14.222 1.00 0.00 C ATOM 1403 O ASP A 74 -6.327 2.309 14.449 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.801 3.052 12.666 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.716 3.105 13.897 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.659 4.085 14.673 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.509 2.158 14.083 1.00 0.00 O ATOM 0 H ASP A 74 -6.900 2.642 11.123 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.580 4.793 12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.312 3.533 11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.651 2.008 12.389 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.817 4.370 15.160 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.288 4.166 16.518 1.00 0.00 C ATOM 1414 C GLU A 75 -6.996 3.012 17.267 1.00 0.00 C ATOM 1415 O GLU A 75 -6.380 2.354 18.110 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.407 5.481 17.320 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.855 5.845 17.696 1.00 0.00 C ATOM 1418 CD GLU A 75 -8.035 7.171 18.456 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -7.065 7.946 18.644 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -9.186 7.425 18.889 1.00 0.00 O ATOM 0 H GLU A 75 -7.195 5.304 15.003 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.240 3.880 16.424 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.814 5.396 18.231 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.977 6.294 16.735 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.448 5.888 16.782 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.266 5.040 18.305 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.285 2.767 16.972 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.135 1.774 17.656 1.00 0.00 C ATOM 1429 C LYS A 76 -8.980 0.381 17.039 1.00 0.00 C ATOM 1430 O LYS A 76 -8.799 -0.598 17.765 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.612 2.220 17.652 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.790 3.693 18.055 1.00 0.00 C ATOM 1433 CD LYS A 76 -12.249 4.047 18.370 1.00 0.00 C ATOM 1434 CE LYS A 76 -12.506 5.564 18.431 1.00 0.00 C ATOM 1435 NZ LYS A 76 -11.698 6.264 19.466 1.00 0.00 N ATOM 0 H LYS A 76 -8.778 3.267 16.232 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.801 1.711 18.692 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.030 2.067 16.657 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.179 1.589 18.337 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.172 3.904 18.928 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.431 4.332 17.248 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.895 3.606 17.611 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.527 3.599 19.324 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.289 6.000 17.456 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.564 5.737 18.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.236 7.072 19.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.481 5.605 20.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.811 6.604 19.043 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.009 0.300 15.708 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.758 -0.916 14.922 1.00 0.00 C ATOM 1451 C GLN A 77 -7.577 -0.717 13.963 1.00 0.00 C ATOM 1452 O GLN A 77 -7.755 -0.333 12.807 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.033 -1.342 14.166 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.190 -1.788 15.072 1.00 0.00 C ATOM 1455 CD GLN A 77 -10.902 -3.054 15.884 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -9.978 -3.815 15.626 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -11.698 -3.343 16.892 1.00 0.00 N ATOM 0 H GLN A 77 -9.216 1.109 15.122 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.489 -1.720 15.607 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.371 -0.509 13.550 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.783 -2.158 13.488 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.432 -0.977 15.759 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.073 -1.958 14.456 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.474 -2.722 17.124 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.539 -4.188 17.441 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.355 -1.015 14.419 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.130 -0.727 13.654 1.00 0.00 C ATOM 1468 C GLN A 78 -4.950 -1.602 12.400 1.00 0.00 C ATOM 1469 O GLN A 78 -4.100 -1.311 11.560 1.00 0.00 O ATOM 1470 CB GLN A 78 -3.901 -0.746 14.579 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.934 0.455 15.542 1.00 0.00 C ATOM 1472 CD GLN A 78 -2.706 0.544 16.434 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.723 0.192 17.605 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -1.547 0.833 15.887 1.00 0.00 N ATOM 0 H GLN A 78 -6.185 -1.459 15.321 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.239 0.282 13.256 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.881 -1.676 15.148 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.989 -0.717 13.983 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.021 1.374 14.963 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.824 0.386 16.167 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.503 1.129 14.912 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.691 0.761 16.437 1.00 0.00 H new ATOM 1483 N HIS A 79 -5.774 -2.642 12.236 1.00 0.00 N ATOM 1484 CA HIS A 79 -5.874 -3.427 11.002 1.00 0.00 C ATOM 1485 C HIS A 79 -6.714 -2.736 9.900 1.00 0.00 C ATOM 1486 O HIS A 79 -6.781 -3.241 8.778 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.383 -4.836 11.350 1.00 0.00 C ATOM 1488 CG HIS A 79 -7.871 -4.969 11.583 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.559 -4.755 12.759 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -8.774 -5.457 10.679 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -9.845 -5.089 12.559 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.027 -5.540 11.304 1.00 0.00 N ATOM 0 H HIS A 79 -6.402 -2.968 12.971 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.880 -3.508 10.562 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.101 -5.511 10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.864 -5.176 12.246 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.161 -4.404 13.630 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.559 -5.732 9.657 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.624 -5.007 13.302 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.339 -1.584 10.191 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.086 -0.745 9.238 1.00 0.00 C ATOM 1502 C ILE A 80 -7.290 0.530 8.915 1.00 0.00 C ATOM 1503 O ILE A 80 -6.840 1.233 9.820 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.508 -0.428 9.760 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.225 -1.710 10.256 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.324 0.277 8.657 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.666 -1.505 10.738 1.00 0.00 C ATOM 0 H ILE A 80 -7.338 -1.195 11.134 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.213 -1.302 8.310 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.423 0.243 10.615 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.229 -2.441 9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.643 -2.140 11.071 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.324 0.498 9.029 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.828 1.206 8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.397 -0.374 7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.080 -2.459 11.064 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.674 -0.802 11.571 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.270 -1.108 9.922 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.128 0.839 7.626 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.395 2.005 7.098 1.00 0.00 C ATOM 1521 C VAL A 81 -7.328 3.129 6.646 1.00 0.00 C ATOM 1522 O VAL A 81 -8.233 2.901 5.845 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.406 1.618 5.977 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.420 2.757 5.683 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.588 0.366 6.320 1.00 0.00 C ATOM 0 H VAL A 81 -7.520 0.260 6.883 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.808 2.390 7.932 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.023 1.414 5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.738 2.452 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.971 3.643 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.850 2.986 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.909 0.139 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.012 0.545 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.261 -0.476 6.478 1.00 0.00 H new ATOM 1535 N TYR A 82 -7.074 4.350 7.120 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.747 5.597 6.739 1.00 0.00 C ATOM 1537 C TYR A 82 -6.927 6.515 5.823 1.00 0.00 C ATOM 1538 O TYR A 82 -6.428 7.566 6.231 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.401 6.283 7.946 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.684 5.614 8.401 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.622 4.470 9.219 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.934 6.124 7.999 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.806 3.835 9.638 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -12.120 5.490 8.412 1.00 0.00 C ATOM 1545 CZ TYR A 82 -12.061 4.342 9.234 1.00 0.00 C ATOM 1546 OH TYR A 82 -13.214 3.738 9.635 1.00 0.00 O ATOM 0 H TYR A 82 -6.350 4.506 7.822 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.572 5.313 6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.693 6.295 8.775 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.612 7.322 7.693 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.663 4.079 9.526 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.982 7.003 7.373 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.755 2.960 10.269 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.077 5.881 8.100 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.982 4.221 9.265 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.724 6.066 4.584 1.00 0.00 N ATOM 1557 CA CYS A 83 -5.887 6.718 3.573 1.00 0.00 C ATOM 1558 C CYS A 83 -6.454 8.024 2.965 1.00 0.00 C ATOM 1559 O CYS A 83 -5.817 8.620 2.094 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.514 5.672 2.511 1.00 0.00 C ATOM 1561 SG CYS A 83 -6.987 4.831 1.855 1.00 0.00 S ATOM 0 H CYS A 83 -7.154 5.206 4.243 1.00 0.00 H new ATOM 0 HA CYS A 83 -4.993 7.081 4.080 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.977 6.156 1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.837 4.936 2.946 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.689 5.670 1.153 1.00 0.00 H new ATOM 1567 N SER A 84 -7.623 8.496 3.414 1.00 0.00 N ATOM 1568 CA SER A 84 -8.251 9.752 2.974 1.00 0.00 C ATOM 1569 C SER A 84 -7.330 10.981 3.088 1.00 0.00 C ATOM 1570 O SER A 84 -6.503 11.093 3.999 1.00 0.00 O ATOM 1571 CB SER A 84 -9.561 10.003 3.739 1.00 0.00 C ATOM 1572 OG SER A 84 -9.347 10.113 5.137 1.00 0.00 O ATOM 0 H SER A 84 -8.176 8.002 4.114 1.00 0.00 H new ATOM 0 HA SER A 84 -8.462 9.621 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.027 10.917 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.258 9.188 3.542 1.00 0.00 H new ATOM 0 HG SER A 84 -10.202 10.274 5.587 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.488 11.918 2.143 1.00 0.00 N ATOM 1579 CA ASN A 85 -6.711 13.164 2.014 1.00 0.00 C ATOM 1580 C ASN A 85 -5.179 12.984 1.856 1.00 0.00 C ATOM 1581 O ASN A 85 -4.423 13.945 2.017 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.115 14.156 3.125 1.00 0.00 C ATOM 1583 CG ASN A 85 -8.598 14.491 3.111 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.149 14.946 2.117 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -9.288 14.314 4.216 1.00 0.00 N ATOM 0 H ASN A 85 -8.194 11.826 1.412 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.983 13.598 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.853 13.733 4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.539 15.075 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.279 14.556 4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.833 13.935 5.046 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.709 11.775 1.523 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.295 11.439 1.301 1.00 0.00 C ATOM 1594 C ASP A 86 -3.022 10.898 -0.123 1.00 0.00 C ATOM 1595 O ASP A 86 -3.943 10.473 -0.828 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.825 10.464 2.398 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.349 10.092 2.238 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.512 11.023 2.261 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.029 8.906 1.998 1.00 0.00 O ATOM 0 H ASP A 86 -5.326 10.973 1.396 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.710 12.356 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.981 10.917 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.433 9.560 2.365 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.746 10.856 -0.526 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.262 10.181 -1.737 1.00 0.00 C ATOM 1606 C LEU A 87 -1.796 8.737 -1.858 1.00 0.00 C ATOM 1607 O LEU A 87 -2.161 8.305 -2.951 1.00 0.00 O ATOM 1608 CB LEU A 87 0.277 10.229 -1.699 1.00 0.00 C ATOM 1609 CG LEU A 87 1.004 9.421 -2.791 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.661 9.893 -4.200 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.511 9.582 -2.605 1.00 0.00 C ATOM 0 H LEU A 87 -0.997 11.306 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.635 10.692 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.590 11.270 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.608 9.867 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 87 0.684 8.384 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.202 9.288 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.411 9.790 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.947 10.939 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.035 9.014 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.777 10.636 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.798 9.212 -1.621 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.901 8.000 -0.745 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.431 6.637 -0.753 1.00 0.00 C ATOM 1625 C LEU A 88 -3.944 6.551 -1.020 1.00 0.00 C ATOM 1626 O LEU A 88 -4.400 5.628 -1.693 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.031 5.950 0.557 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.434 4.468 0.606 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.785 3.679 -0.533 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.004 3.886 1.946 1.00 0.00 C ATOM 0 H LEU A 88 -1.622 8.332 0.178 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.988 6.110 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.952 6.032 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.495 6.475 1.392 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.515 4.394 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.089 2.634 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.103 4.094 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.700 3.747 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.285 2.834 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.923 3.978 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.496 4.429 2.753 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.727 7.522 -0.551 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.146 7.653 -0.905 1.00 0.00 C ATOM 1644 C GLY A 89 -6.350 7.946 -2.396 1.00 0.00 C ATOM 1645 O GLY A 89 -7.243 7.378 -3.026 1.00 0.00 O ATOM 0 H GLY A 89 -4.396 8.245 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.670 6.734 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.593 8.454 -0.315 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.466 8.756 -2.990 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.415 8.985 -4.440 1.00 0.00 C ATOM 1651 C ASP A 90 -5.022 7.759 -5.284 1.00 0.00 C ATOM 1652 O ASP A 90 -5.484 7.605 -6.417 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.556 10.218 -4.778 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.215 11.580 -4.479 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.433 11.654 -4.186 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.503 12.609 -4.580 1.00 0.00 O ATOM 0 H ASP A 90 -4.758 9.277 -2.472 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.446 9.186 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.622 10.154 -4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.298 10.182 -5.836 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.209 6.863 -4.715 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.868 5.558 -5.288 1.00 0.00 C ATOM 1663 C LEU A 91 -5.037 4.561 -5.195 1.00 0.00 C ATOM 1664 O LEU A 91 -5.502 4.068 -6.225 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.622 5.003 -4.578 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.290 5.624 -5.027 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.194 5.203 -4.063 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.920 5.184 -6.442 1.00 0.00 C ATOM 0 H LEU A 91 -3.757 7.031 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.657 5.695 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.734 5.157 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.578 3.926 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.398 6.709 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.754 5.641 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.439 5.550 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.109 4.116 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.027 5.641 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.823 4.099 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.699 5.498 -7.136 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.524 4.262 -3.984 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.620 3.308 -3.766 1.00 0.00 C ATOM 1682 C PHE A 92 -8.022 3.700 -4.267 1.00 0.00 C ATOM 1683 O PHE A 92 -8.853 2.829 -4.528 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.635 2.757 -2.327 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.607 1.687 -1.990 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.546 0.499 -2.741 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.771 1.833 -0.868 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.628 -0.516 -2.409 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.870 0.809 -0.517 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.785 -0.356 -1.296 1.00 0.00 C ATOM 0 H PHE A 92 -5.167 4.677 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.361 2.498 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.492 3.593 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.626 2.349 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.211 0.364 -3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.820 2.733 -0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.572 -1.413 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.242 0.920 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.074 -1.127 -1.041 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.292 5.001 -4.414 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.586 5.525 -4.874 1.00 0.00 C ATOM 1702 C GLY A 93 -10.715 5.441 -3.834 1.00 0.00 C ATOM 1703 O GLY A 93 -11.892 5.499 -4.199 1.00 0.00 O ATOM 0 H GLY A 93 -7.609 5.732 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.458 6.567 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.889 4.976 -5.766 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.371 5.294 -2.549 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.299 5.173 -1.406 1.00 0.00 C ATOM 1709 C VAL A 94 -10.753 5.977 -0.213 1.00 0.00 C ATOM 1710 O VAL A 94 -9.539 6.177 -0.110 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.485 3.702 -0.960 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.388 2.934 -1.928 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.178 2.919 -0.792 1.00 0.00 C ATOM 0 H VAL A 94 -9.394 5.254 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.265 5.560 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.949 3.778 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.497 1.905 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.368 3.410 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.943 2.939 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.402 1.900 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.642 2.897 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.558 3.403 -0.037 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.621 6.423 0.717 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.202 7.067 1.965 1.00 0.00 C ATOM 1725 C PRO A 95 -10.582 6.085 2.979 1.00 0.00 C ATOM 1726 O PRO A 95 -9.793 6.496 3.832 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.484 7.696 2.525 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.586 6.768 2.016 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.077 6.372 0.635 1.00 0.00 C ATOM 0 HA PRO A 95 -10.414 7.797 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.467 7.740 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.621 8.716 2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.717 5.901 2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.550 7.274 1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.418 5.373 0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.450 7.054 -0.129 1.00 0.00 H new ATOM 1737 N SER A 96 -10.944 4.799 2.909 1.00 0.00 N ATOM 1738 CA SER A 96 -10.493 3.754 3.835 1.00 0.00 C ATOM 1739 C SER A 96 -10.690 2.338 3.282 1.00 0.00 C ATOM 1740 O SER A 96 -11.494 2.109 2.372 1.00 0.00 O ATOM 1741 CB SER A 96 -11.220 3.888 5.184 1.00 0.00 C ATOM 1742 OG SER A 96 -12.625 3.736 5.033 1.00 0.00 O ATOM 0 H SER A 96 -11.575 4.447 2.189 1.00 0.00 H new ATOM 0 HA SER A 96 -9.421 3.901 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.844 3.137 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.003 4.863 5.621 1.00 0.00 H new ATOM 0 HG SER A 96 -13.059 3.824 5.907 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.959 1.374 3.847 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.082 -0.064 3.568 1.00 0.00 C ATOM 1750 C PHE A 97 -9.493 -0.822 4.778 1.00 0.00 C ATOM 1751 O PHE A 97 -8.744 -0.255 5.578 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.293 -0.396 2.285 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.780 -0.366 2.423 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.060 0.827 2.220 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.093 -1.542 2.775 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.659 0.836 2.364 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.697 -1.529 2.934 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.979 -0.344 2.714 1.00 0.00 C ATOM 0 H PHE A 97 -9.237 1.579 4.538 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.122 -0.354 3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.590 -1.387 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.584 0.310 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.582 1.734 1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.642 -2.460 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.106 1.750 2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.177 -2.430 3.225 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.904 -0.338 2.813 1.00 0.00 H new ATOM 1768 N SER A 98 -9.801 -2.113 4.917 1.00 0.00 N ATOM 1769 CA SER A 98 -9.200 -2.980 5.944 1.00 0.00 C ATOM 1770 C SER A 98 -8.160 -3.930 5.350 1.00 0.00 C ATOM 1771 O SER A 98 -8.418 -4.566 4.331 1.00 0.00 O ATOM 1772 CB SER A 98 -10.288 -3.729 6.712 1.00 0.00 C ATOM 1773 OG SER A 98 -9.707 -4.667 7.597 1.00 0.00 O ATOM 0 H SER A 98 -10.476 -2.592 4.321 1.00 0.00 H new ATOM 0 HA SER A 98 -8.666 -2.346 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.900 -3.022 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.950 -4.240 6.013 1.00 0.00 H new ATOM 0 HG SER A 98 -10.414 -5.139 8.084 1.00 0.00 H new ATOM 1779 N VAL A 99 -6.993 -4.074 5.989 1.00 0.00 N ATOM 1780 CA VAL A 99 -5.913 -4.980 5.535 1.00 0.00 C ATOM 1781 C VAL A 99 -6.357 -6.451 5.473 1.00 0.00 C ATOM 1782 O VAL A 99 -5.853 -7.227 4.661 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.646 -4.820 6.389 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.442 -5.572 5.812 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.215 -3.358 6.560 1.00 0.00 C ATOM 0 H VAL A 99 -6.763 -3.565 6.842 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.673 -4.681 4.515 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.930 -5.241 7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.576 -5.422 6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.672 -6.636 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.221 -5.193 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.315 -3.313 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.010 -2.922 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.013 -2.798 7.047 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.358 -6.812 6.285 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.042 -8.115 6.303 1.00 0.00 C ATOM 1797 C LYS A 100 -8.809 -8.420 5.001 1.00 0.00 C ATOM 1798 O LYS A 100 -9.073 -9.581 4.697 1.00 0.00 O ATOM 1799 CB LYS A 100 -8.960 -8.089 7.536 1.00 0.00 C ATOM 1800 CG LYS A 100 -9.695 -9.398 7.869 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.550 -9.228 9.138 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.695 -9.128 10.411 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.461 -8.579 11.558 1.00 0.00 N ATOM 0 H LYS A 100 -7.734 -6.171 6.984 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.317 -8.926 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.362 -7.803 8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.705 -7.306 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.330 -9.689 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.972 -10.201 8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.162 -8.331 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.234 -10.072 9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.314 -10.116 10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.830 -8.494 10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.076 -8.959 12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.383 -7.542 11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.461 -8.851 11.469 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.140 -7.401 4.203 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.825 -7.504 2.902 1.00 0.00 C ATOM 1819 C GLU A 101 -8.860 -7.924 1.769 1.00 0.00 C ATOM 1820 O GLU A 101 -8.793 -7.287 0.715 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.577 -6.193 2.577 1.00 0.00 C ATOM 1822 CG GLU A 101 -11.636 -5.811 3.627 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.186 -4.372 3.493 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -11.531 -3.476 2.904 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.300 -4.114 4.004 1.00 0.00 O ATOM 0 H GLU A 101 -8.930 -6.435 4.454 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.566 -8.300 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.854 -5.382 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.061 -6.293 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.468 -6.512 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.203 -5.929 4.620 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.084 -8.994 1.974 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.965 -9.397 1.108 1.00 0.00 C ATOM 1834 C HIS A 102 -7.329 -9.508 -0.386 1.00 0.00 C ATOM 1835 O HIS A 102 -6.633 -8.954 -1.236 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.380 -10.724 1.623 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.910 -10.690 3.060 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.815 -10.011 3.544 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.421 -11.414 4.106 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.676 -10.302 4.847 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.636 -11.158 5.239 1.00 0.00 N ATOM 0 H HIS A 102 -8.219 -9.621 2.767 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.222 -8.601 1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -7.135 -11.503 1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.541 -11.007 0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -7.279 -12.068 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.903 -9.905 5.489 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -5.767 -11.544 6.174 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.458 -10.159 -0.711 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.941 -10.366 -2.094 1.00 0.00 C ATOM 1851 C ARG A 103 -9.249 -9.051 -2.823 1.00 0.00 C ATOM 1852 O ARG A 103 -8.911 -8.895 -3.996 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.153 -11.316 -2.030 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.705 -11.784 -3.389 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.902 -10.951 -3.875 1.00 0.00 C ATOM 1856 NE ARG A 103 -12.523 -11.542 -5.080 1.00 0.00 N ATOM 1857 CZ ARG A 103 -13.325 -12.593 -5.141 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -13.713 -13.243 -4.080 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -13.747 -13.023 -6.291 1.00 0.00 N ATOM 0 H ARG A 103 -9.076 -10.566 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.152 -10.820 -2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.872 -12.195 -1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.954 -10.817 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -9.910 -11.735 -4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.005 -12.829 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.644 -10.881 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.574 -9.935 -4.095 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.308 -11.087 -5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.398 -12.946 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.332 -14.048 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.460 -12.551 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.365 -13.833 -6.337 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.842 -8.089 -2.109 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.094 -6.712 -2.570 1.00 0.00 C ATOM 1875 C LYS A 104 -8.785 -5.935 -2.751 1.00 0.00 C ATOM 1876 O LYS A 104 -8.590 -5.310 -3.792 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.067 -6.048 -1.577 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.219 -4.523 -1.695 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.115 -4.001 -0.562 1.00 0.00 C ATOM 1880 CE LYS A 104 -12.054 -2.475 -0.441 1.00 0.00 C ATOM 1881 NZ LYS A 104 -12.688 -2.021 0.824 1.00 0.00 N ATOM 0 H LYS A 104 -10.174 -8.250 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.557 -6.716 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.050 -6.501 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.737 -6.282 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.240 -4.046 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.652 -4.265 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.145 -4.310 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.807 -4.452 0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.016 -2.144 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.560 -2.018 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.475 -1.015 0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.718 -2.151 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.316 -2.579 1.619 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.862 -6.015 -1.789 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.548 -5.356 -1.888 1.00 0.00 C ATOM 1897 C ILE A 105 -5.771 -5.854 -3.114 1.00 0.00 C ATOM 1898 O ILE A 105 -5.263 -5.031 -3.870 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.742 -5.488 -0.573 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.432 -4.660 0.534 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.288 -5.004 -0.753 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.852 -4.872 1.935 1.00 0.00 C ATOM 0 H ILE A 105 -7.999 -6.535 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.716 -4.289 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.714 -6.541 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.358 -3.603 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.493 -4.911 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.750 -5.110 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.798 -5.603 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.288 -3.957 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.394 -4.254 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.950 -5.921 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.798 -4.593 1.939 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.740 -7.166 -3.379 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.037 -7.719 -4.544 1.00 0.00 C ATOM 1916 C TYR A 106 -5.483 -7.137 -5.893 1.00 0.00 C ATOM 1917 O TYR A 106 -4.648 -6.706 -6.689 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.111 -9.253 -4.569 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.439 -10.001 -3.428 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.221 -9.561 -2.868 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.049 -11.172 -2.935 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.640 -10.264 -1.795 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.462 -11.886 -1.877 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.261 -11.432 -1.298 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.711 -12.137 -0.278 1.00 0.00 O ATOM 0 H TYR A 106 -6.197 -7.869 -2.798 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.000 -7.410 -4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.162 -9.540 -4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.670 -9.597 -5.504 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.733 -8.683 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.972 -11.522 -3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.720 -9.911 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.933 -12.785 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.775 -11.870 -0.163 1.00 0.00 H new ATOM 1935 N THR A 107 -6.798 -7.064 -6.135 1.00 0.00 N ATOM 1936 CA THR A 107 -7.344 -6.446 -7.355 1.00 0.00 C ATOM 1937 C THR A 107 -7.132 -4.933 -7.474 1.00 0.00 C ATOM 1938 O THR A 107 -6.815 -4.430 -8.555 1.00 0.00 O ATOM 1939 CB THR A 107 -8.779 -6.914 -7.658 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.017 -6.840 -9.047 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.867 -6.091 -6.970 1.00 0.00 C ATOM 0 H THR A 107 -7.509 -7.427 -5.500 1.00 0.00 H new ATOM 0 HA THR A 107 -6.725 -6.832 -8.165 1.00 0.00 H new ATOM 0 HB THR A 107 -8.837 -7.933 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.930 -7.140 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.847 -6.487 -7.237 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.736 -6.145 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.796 -5.052 -7.292 1.00 0.00 H new ATOM 1949 N MET A 108 -7.199 -4.199 -6.353 1.00 0.00 N ATOM 1950 CA MET A 108 -6.848 -2.772 -6.330 1.00 0.00 C ATOM 1951 C MET A 108 -5.355 -2.533 -6.603 1.00 0.00 C ATOM 1952 O MET A 108 -5.018 -1.660 -7.402 1.00 0.00 O ATOM 1953 CB MET A 108 -7.258 -2.109 -5.007 1.00 0.00 C ATOM 1954 CG MET A 108 -8.778 -2.054 -4.798 1.00 0.00 C ATOM 1955 SD MET A 108 -9.345 -0.891 -3.518 1.00 0.00 S ATOM 1956 CE MET A 108 -8.481 -1.501 -2.043 1.00 0.00 C ATOM 0 H MET A 108 -7.493 -4.571 -5.450 1.00 0.00 H new ATOM 0 HA MET A 108 -7.412 -2.308 -7.139 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.804 -2.655 -4.180 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.858 -1.096 -4.978 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.249 -1.786 -5.744 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.129 -3.053 -4.539 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.654 -0.818 -1.211 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.857 -2.491 -1.784 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.412 -1.561 -2.247 1.00 0.00 H new ATOM 1966 N MET A 109 -4.459 -3.333 -6.015 1.00 0.00 N ATOM 1967 CA MET A 109 -3.008 -3.254 -6.250 1.00 0.00 C ATOM 1968 C MET A 109 -2.644 -3.571 -7.705 1.00 0.00 C ATOM 1969 O MET A 109 -1.812 -2.884 -8.297 1.00 0.00 O ATOM 1970 CB MET A 109 -2.259 -4.209 -5.302 1.00 0.00 C ATOM 1971 CG MET A 109 -2.273 -3.746 -3.839 1.00 0.00 C ATOM 1972 SD MET A 109 -1.347 -2.229 -3.476 1.00 0.00 S ATOM 1973 CE MET A 109 0.358 -2.792 -3.726 1.00 0.00 C ATOM 0 H MET A 109 -4.722 -4.064 -5.354 1.00 0.00 H new ATOM 0 HA MET A 109 -2.703 -2.227 -6.047 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.708 -5.200 -5.367 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.226 -4.305 -5.636 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.309 -3.597 -3.536 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.872 -4.549 -3.221 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.000 -2.360 -2.958 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.395 -3.879 -3.661 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.705 -2.475 -4.709 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.309 -4.560 -8.313 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.102 -4.929 -9.713 1.00 0.00 C ATOM 1985 C ALA A 110 -3.431 -3.779 -10.689 1.00 0.00 C ATOM 1986 O ALA A 110 -2.707 -3.571 -11.665 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.951 -6.173 -9.995 1.00 0.00 C ATOM 0 H ALA A 110 -4.011 -5.130 -7.841 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.046 -5.144 -9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.819 -6.476 -11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.637 -6.984 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.001 -5.945 -9.814 1.00 0.00 H new ATOM 1993 N SER A 111 -4.465 -2.976 -10.400 1.00 0.00 N ATOM 1994 CA SER A 111 -4.848 -1.817 -11.229 1.00 0.00 C ATOM 1995 C SER A 111 -3.788 -0.697 -11.241 1.00 0.00 C ATOM 1996 O SER A 111 -3.776 0.132 -12.154 1.00 0.00 O ATOM 1997 CB SER A 111 -6.207 -1.263 -10.774 1.00 0.00 C ATOM 1998 OG SER A 111 -6.108 -0.442 -9.622 1.00 0.00 O ATOM 0 H SER A 111 -5.062 -3.110 -9.584 1.00 0.00 H new ATOM 0 HA SER A 111 -4.923 -2.180 -12.254 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.651 -0.688 -11.587 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.881 -2.094 -10.566 1.00 0.00 H new ATOM 0 HG SER A 111 -5.713 -0.956 -8.887 1.00 0.00 H new ATOM 2004 N MET A 112 -2.869 -0.679 -10.265 1.00 0.00 N ATOM 2005 CA MET A 112 -1.751 0.273 -10.190 1.00 0.00 C ATOM 2006 C MET A 112 -0.508 -0.169 -10.982 1.00 0.00 C ATOM 2007 O MET A 112 0.470 0.578 -11.043 1.00 0.00 O ATOM 2008 CB MET A 112 -1.357 0.531 -8.730 1.00 0.00 C ATOM 2009 CG MET A 112 -2.528 0.907 -7.820 1.00 0.00 C ATOM 2010 SD MET A 112 -2.014 1.324 -6.135 1.00 0.00 S ATOM 2011 CE MET A 112 -3.613 1.176 -5.307 1.00 0.00 C ATOM 0 H MET A 112 -2.882 -1.340 -9.489 1.00 0.00 H new ATOM 0 HA MET A 112 -2.115 1.191 -10.652 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.875 -0.362 -8.332 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.618 1.332 -8.701 1.00 0.00 H new ATOM 0 HG2 MET A 112 -3.058 1.756 -8.252 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.233 0.076 -7.783 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.593 1.738 -4.373 1.00 0.00 H new ATOM 0 HE2 MET A 112 -4.396 1.574 -5.953 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.817 0.127 -5.094 1.00 0.00 H new ATOM 2021 N THR A 113 -0.517 -1.373 -11.568 1.00 0.00 N ATOM 2022 CA THR A 113 0.611 -1.964 -12.318 1.00 0.00 C ATOM 2023 C THR A 113 0.285 -2.572 -13.691 1.00 0.00 C ATOM 2024 O THR A 113 1.166 -3.119 -14.358 1.00 0.00 O ATOM 2025 CB THR A 113 1.536 -2.852 -11.454 1.00 0.00 C ATOM 2026 OG1 THR A 113 1.144 -4.206 -11.526 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.583 -2.497 -9.961 1.00 0.00 C ATOM 0 H THR A 113 -1.332 -1.986 -11.535 1.00 0.00 H new ATOM 0 HA THR A 113 1.194 -1.083 -12.585 1.00 0.00 H new ATOM 0 HB THR A 113 2.524 -2.672 -11.878 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.940 -4.775 -11.574 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.260 -3.179 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.939 -1.474 -9.841 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.584 -2.586 -9.534 1.00 0.00 H new ATOM 2035 N GLY A 114 -0.972 -2.467 -14.133 1.00 0.00 N ATOM 2036 CA GLY A 114 -1.454 -2.967 -15.425 1.00 0.00 C ATOM 2037 C GLY A 114 -2.896 -2.543 -15.739 1.00 0.00 C ATOM 2038 O GLY A 114 -3.619 -2.048 -14.871 1.00 0.00 O ATOM 0 H GLY A 114 -1.705 -2.018 -13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.796 -2.606 -16.215 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.393 -4.055 -15.432 1.00 0.00 H new ATOM 2042 N GLY A 115 -3.306 -2.723 -16.999 1.00 0.00 N ATOM 2043 CA GLY A 115 -4.650 -2.383 -17.489 1.00 0.00 C ATOM 2044 C GLY A 115 -5.757 -3.345 -17.029 1.00 0.00 C ATOM 2045 O GLY A 115 -5.491 -4.434 -16.510 1.00 0.00 O ATOM 0 H GLY A 115 -2.703 -3.116 -17.722 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.900 -1.375 -17.157 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -4.632 -2.364 -18.579 1.00 0.00 H new ATOM 2049 N GLN A 116 -7.013 -2.942 -17.244 1.00 0.00 N ATOM 2050 CA GLN A 116 -8.224 -3.709 -16.915 1.00 0.00 C ATOM 2051 C GLN A 116 -9.385 -3.378 -17.872 1.00 0.00 C ATOM 2052 O GLN A 116 -9.412 -2.307 -18.487 1.00 0.00 O ATOM 2053 CB GLN A 116 -8.613 -3.476 -15.440 1.00 0.00 C ATOM 2054 CG GLN A 116 -8.989 -2.020 -15.103 1.00 0.00 C ATOM 2055 CD GLN A 116 -9.325 -1.797 -13.626 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -9.212 -2.669 -12.772 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -9.749 -0.606 -13.259 1.00 0.00 N ATOM 0 H GLN A 116 -7.225 -2.039 -17.668 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.006 -4.769 -17.048 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.455 -4.122 -15.193 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.781 -3.780 -14.805 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.162 -1.367 -15.381 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.845 -1.726 -15.710 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.851 0.135 -13.952 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.976 -0.424 -12.281 1.00 0.00 H new ATOM 2066 N GLN A 117 -10.352 -4.293 -17.997 1.00 0.00 N ATOM 2067 CA GLN A 117 -11.552 -4.112 -18.829 1.00 0.00 C ATOM 2068 C GLN A 117 -12.509 -3.038 -18.267 1.00 0.00 C ATOM 2069 O GLN A 117 -12.542 -2.781 -17.059 1.00 0.00 O ATOM 2070 CB GLN A 117 -12.262 -5.463 -19.039 1.00 0.00 C ATOM 2071 CG GLN A 117 -12.853 -6.085 -17.759 1.00 0.00 C ATOM 2072 CD GLN A 117 -13.471 -7.457 -18.023 1.00 0.00 C ATOM 2073 OE1 GLN A 117 -12.879 -8.499 -17.763 1.00 0.00 O ATOM 2074 NE2 GLN A 117 -14.594 -7.527 -18.709 1.00 0.00 N ATOM 0 H GLN A 117 -10.325 -5.193 -17.518 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.227 -3.739 -19.800 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.064 -5.328 -19.765 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.553 -6.167 -19.475 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.070 -6.179 -17.006 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -13.612 -5.418 -17.349 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -15.106 -6.675 -18.938 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.952 -8.433 -19.011 1.00 0.00 H new ATOM 2083 N MET A 118 -13.309 -2.432 -19.148 1.00 0.00 N ATOM 2084 CA MET A 118 -14.313 -1.405 -18.826 1.00 0.00 C ATOM 2085 C MET A 118 -15.449 -1.368 -19.868 1.00 0.00 C ATOM 2086 O MET A 118 -15.286 -1.848 -20.996 1.00 0.00 O ATOM 2087 CB MET A 118 -13.637 -0.025 -18.689 1.00 0.00 C ATOM 2088 CG MET A 118 -12.958 0.467 -19.977 1.00 0.00 C ATOM 2089 SD MET A 118 -12.143 2.085 -19.848 1.00 0.00 S ATOM 2090 CE MET A 118 -13.582 3.181 -19.697 1.00 0.00 C ATOM 0 H MET A 118 -13.277 -2.649 -20.144 1.00 0.00 H new ATOM 0 HA MET A 118 -14.768 -1.667 -17.871 1.00 0.00 H new ATOM 0 HB2 MET A 118 -14.385 0.706 -18.382 1.00 0.00 H new ATOM 0 HB3 MET A 118 -12.893 -0.073 -17.894 1.00 0.00 H new ATOM 0 HG2 MET A 118 -12.218 -0.272 -20.284 1.00 0.00 H new ATOM 0 HG3 MET A 118 -13.706 0.516 -20.768 1.00 0.00 H new ATOM 0 HE1 MET A 118 -13.254 4.220 -19.734 1.00 0.00 H new ATOM 0 HE2 MET A 118 -14.273 2.989 -20.518 1.00 0.00 H new ATOM 0 HE3 MET A 118 -14.085 2.993 -18.748 1.00 0.00 H new ATOM 2100 N GLY A 119 -16.597 -0.789 -19.496 1.00 0.00 N ATOM 2101 CA GLY A 119 -17.782 -0.621 -20.355 1.00 0.00 C ATOM 2102 C GLY A 119 -18.997 -0.074 -19.603 1.00 0.00 C ATOM 2103 O GLY A 119 -20.075 -0.704 -19.682 1.00 0.00 O ATOM 2104 OXT GLY A 119 -18.862 0.978 -18.941 1.00 0.00 O ATOM 0 H GLY A 119 -16.734 -0.411 -18.559 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -17.536 0.054 -21.175 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -18.040 -1.582 -20.800 1.00 0.00 H new TER 2108 GLY A 119