USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 955 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 37 ASN : amide:sc= -0.602 K(o=-4.6,f=-12!) USER MOD Set 1.2: A 60 MET CE :methyl -120:sc= -3.96 (180deg=-9.96!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0997) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0871 USER MOD Single : A 14 SER OG : rot 88:sc= 1.21 USER MOD Single : A 29 THR OG1 : rot 89:sc= 0.353 USER MOD Single : A 30 CYS SG : rot -100:sc= -0.874 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -150:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.086 K(o=-0.086,f=-4.3!) USER MOD Single : A 45 SER OG : rot 84:sc= 1.22 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc=-0.00322 (180deg=-0.00322) USER MOD Single : A 47 THR OG1 : rot 20:sc= 0.222! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -140:sc= -2.07 (180deg=-7.05!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.42 F(o=-4.4!,f=-1.4) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0809 X(o=-0.081,f=-0.0096) USER MOD Single : A 73 HIS : no HD1:sc= -7.48! C(o=-7.5!,f=-8.7!) USER MOD Single : A 75 MET CE :methyl -160:sc= -0.0435 (180deg=-0.384) USER MOD Single : A 81 MET CE :methyl -143:sc= -2.53 (180deg=-3.92!) USER MOD Single : A 82 THR OG1 : rot -130:sc= -0.195 USER MOD Single : A 84 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.0027) USER MOD Single : A 85 SER OG : rot -110:sc= -0.263 USER MOD Single : A 92 SER OG : rot -60:sc= 0.00669 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -124:sc= 0.16 USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0981) USER MOD Single : A 120 SER OG : rot -77:sc= 1.22 USER MOD Single : A 121 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0025) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.211 -2.367 0.084 1.00 75.10 N ATOM 2 CA MET A 1 0.050 -2.390 -0.647 1.00 22.40 C ATOM 3 C MET A 1 0.546 -0.974 -0.921 1.00 20.11 C ATOM 4 O MET A 1 1.739 -0.693 -0.811 1.00 21.14 O ATOM 5 CB MET A 1 -0.113 -3.150 -1.965 1.00 12.10 C ATOM 6 CG MET A 1 0.908 -4.260 -2.157 1.00 54.35 C ATOM 7 SD MET A 1 2.020 -3.948 -3.542 1.00 1.43 S ATOM 8 CE MET A 1 3.424 -4.961 -3.083 1.00 10.32 C ATOM 0 H1 MET A 1 -1.443 -3.328 0.406 1.00 75.10 H new ATOM 0 H2 MET A 1 -1.124 -1.738 0.907 1.00 75.10 H new ATOM 0 H3 MET A 1 -1.967 -2.019 -0.539 1.00 75.10 H new ATOM 0 HA MET A 1 0.789 -2.902 -0.030 1.00 22.40 H new ATOM 0 HB2 MET A 1 -1.115 -3.578 -2.007 1.00 12.10 H new ATOM 0 HB3 MET A 1 -0.032 -2.446 -2.793 1.00 12.10 H new ATOM 0 HG2 MET A 1 1.493 -4.372 -1.244 1.00 54.35 H new ATOM 0 HG3 MET A 1 0.387 -5.204 -2.320 1.00 54.35 H new ATOM 0 HE1 MET A 1 4.200 -4.874 -3.844 1.00 10.32 H new ATOM 0 HE2 MET A 1 3.817 -4.624 -2.124 1.00 10.32 H new ATOM 0 HE3 MET A 1 3.111 -6.002 -3.002 1.00 10.32 H new ATOM 18 N GLN A 2 -0.377 -0.087 -1.278 1.00 73.43 N ATOM 19 CA GLN A 2 -0.032 1.299 -1.569 1.00 12.23 C ATOM 20 C GLN A 2 -1.174 2.236 -1.187 1.00 24.24 C ATOM 21 O GLN A 2 -2.324 1.813 -1.069 1.00 62.33 O ATOM 22 CB GLN A 2 0.303 1.463 -3.052 1.00 43.41 C ATOM 23 CG GLN A 2 1.760 1.178 -3.382 1.00 15.13 C ATOM 24 CD GLN A 2 2.376 2.241 -4.270 1.00 0.04 C ATOM 25 OE1 GLN A 2 2.632 3.362 -3.829 1.00 51.24 O ATOM 26 NE2 GLN A 2 2.618 1.894 -5.528 1.00 64.22 N ATOM 0 H GLN A 2 -1.369 -0.304 -1.373 1.00 73.43 H new ATOM 0 HA GLN A 2 0.843 1.561 -0.975 1.00 12.23 H new ATOM 0 HB2 GLN A 2 -0.330 0.795 -3.635 1.00 43.41 H new ATOM 0 HB3 GLN A 2 0.062 2.480 -3.360 1.00 43.41 H new ATOM 0 HG2 GLN A 2 2.331 1.108 -2.456 1.00 15.13 H new ATOM 0 HG3 GLN A 2 1.834 0.209 -3.876 1.00 15.13 H new ATOM 0 HE21 GLN A 2 2.390 0.954 -5.851 1.00 64.22 H new ATOM 0 HE22 GLN A 2 3.032 2.568 -6.172 1.00 64.22 H new ATOM 35 N ARG A 3 -0.848 3.510 -0.993 1.00 63.44 N ATOM 36 CA ARG A 3 -1.846 4.506 -0.623 1.00 23.22 C ATOM 37 C ARG A 3 -2.474 4.170 0.727 1.00 44.32 C ATOM 38 O ARG A 3 -2.346 3.051 1.222 1.00 44.34 O ATOM 39 CB ARG A 3 -2.933 4.593 -1.696 1.00 2.15 C ATOM 40 CG ARG A 3 -3.776 5.854 -1.607 1.00 13.45 C ATOM 41 CD ARG A 3 -5.125 5.578 -0.961 1.00 53.04 C ATOM 42 NE ARG A 3 -6.214 5.606 -1.935 1.00 4.11 N ATOM 43 CZ ARG A 3 -7.499 5.584 -1.601 1.00 11.21 C ATOM 44 NH1 ARG A 3 -7.855 5.535 -0.325 1.00 32.33 N ATOM 45 NH2 ARG A 3 -8.432 5.612 -2.545 1.00 4.44 N ATOM 0 H ARG A 3 0.099 3.876 -1.086 1.00 63.44 H new ATOM 0 HA ARG A 3 -1.347 5.472 -0.542 1.00 23.22 H new ATOM 0 HB2 ARG A 3 -2.465 4.547 -2.680 1.00 2.15 H new ATOM 0 HB3 ARG A 3 -3.585 3.723 -1.612 1.00 2.15 H new ATOM 0 HG2 ARG A 3 -3.243 6.609 -1.030 1.00 13.45 H new ATOM 0 HG3 ARG A 3 -3.927 6.264 -2.606 1.00 13.45 H new ATOM 0 HD2 ARG A 3 -5.101 4.604 -0.472 1.00 53.04 H new ATOM 0 HD3 ARG A 3 -5.314 6.319 -0.185 1.00 53.04 H new ATOM 0 HE ARG A 3 -5.974 5.645 -2.926 1.00 4.11 H new ATOM 0 HH11 ARG A 3 -7.141 5.514 0.403 1.00 32.33 H new ATOM 0 HH12 ARG A 3 -8.843 5.518 -0.071 1.00 32.33 H new ATOM 0 HH21 ARG A 3 -8.162 5.650 -3.528 1.00 4.44 H new ATOM 0 HH22 ARG A 3 -9.419 5.595 -2.287 1.00 4.44 H new ATOM 59 N GLY A 4 -3.153 5.149 1.318 1.00 44.13 N ATOM 60 CA GLY A 4 -3.790 4.938 2.605 1.00 45.25 C ATOM 61 C GLY A 4 -4.312 6.226 3.211 1.00 63.41 C ATOM 62 O GLY A 4 -4.578 7.192 2.496 1.00 0.54 O ATOM 0 H GLY A 4 -3.273 6.084 0.929 1.00 44.13 H new ATOM 0 HA2 GLY A 4 -4.614 4.235 2.488 1.00 45.25 H new ATOM 0 HA3 GLY A 4 -3.076 4.481 3.290 1.00 45.25 H new ATOM 66 N ILE A 5 -4.460 6.238 4.531 1.00 12.22 N ATOM 67 CA ILE A 5 -4.955 7.416 5.233 1.00 43.44 C ATOM 68 C ILE A 5 -3.805 8.233 5.813 1.00 14.31 C ATOM 69 O ILE A 5 -2.795 7.681 6.248 1.00 2.33 O ATOM 70 CB ILE A 5 -5.921 7.031 6.368 1.00 1.24 C ATOM 71 CG1 ILE A 5 -7.006 6.087 5.846 1.00 11.42 C ATOM 72 CG2 ILE A 5 -6.544 8.277 6.979 1.00 11.41 C ATOM 73 CD1 ILE A 5 -8.026 5.700 6.894 1.00 3.33 C ATOM 0 H ILE A 5 -4.244 5.446 5.136 1.00 12.22 H new ATOM 0 HA ILE A 5 -5.492 8.018 4.500 1.00 43.44 H new ATOM 0 HB ILE A 5 -5.358 6.513 7.144 1.00 1.24 H new ATOM 0 HG12 ILE A 5 -7.519 6.563 5.010 1.00 11.42 H new ATOM 0 HG13 ILE A 5 -6.535 5.184 5.458 1.00 11.42 H new ATOM 0 HG21 ILE A 5 -7.225 7.988 7.780 1.00 11.41 H new ATOM 0 HG22 ILE A 5 -5.759 8.916 7.383 1.00 11.41 H new ATOM 0 HG23 ILE A 5 -7.096 8.821 6.213 1.00 11.41 H new ATOM 0 HD11 ILE A 5 -8.764 5.030 6.453 1.00 3.33 H new ATOM 0 HD12 ILE A 5 -7.525 5.195 7.720 1.00 3.33 H new ATOM 0 HD13 ILE A 5 -8.525 6.596 7.265 1.00 3.33 H new ATOM 85 N VAL A 6 -3.968 9.553 5.818 1.00 63.30 N ATOM 86 CA VAL A 6 -2.945 10.447 6.348 1.00 72.31 C ATOM 87 C VAL A 6 -3.546 11.449 7.327 1.00 5.03 C ATOM 88 O VAL A 6 -4.180 12.423 6.923 1.00 53.20 O ATOM 89 CB VAL A 6 -2.230 11.213 5.219 1.00 14.54 C ATOM 90 CG1 VAL A 6 -1.207 12.180 5.795 1.00 23.04 C ATOM 91 CG2 VAL A 6 -1.573 10.243 4.250 1.00 61.11 C ATOM 0 H VAL A 6 -4.798 10.026 5.461 1.00 63.30 H new ATOM 0 HA VAL A 6 -2.219 9.824 6.870 1.00 72.31 H new ATOM 0 HB VAL A 6 -2.972 11.792 4.669 1.00 14.54 H new ATOM 0 HG11 VAL A 6 -0.712 12.712 4.983 1.00 23.04 H new ATOM 0 HG12 VAL A 6 -1.709 12.896 6.445 1.00 23.04 H new ATOM 0 HG13 VAL A 6 -0.466 11.625 6.370 1.00 23.04 H new ATOM 0 HG21 VAL A 6 -1.073 10.802 3.459 1.00 61.11 H new ATOM 0 HG22 VAL A 6 -0.842 9.635 4.783 1.00 61.11 H new ATOM 0 HG23 VAL A 6 -2.333 9.596 3.812 1.00 61.11 H new ATOM 101 N TRP A 7 -3.340 11.204 8.616 1.00 32.42 N ATOM 102 CA TRP A 7 -3.861 12.086 9.654 1.00 32.45 C ATOM 103 C TRP A 7 -2.760 12.980 10.212 1.00 4.20 C ATOM 104 O TRP A 7 -1.762 12.494 10.745 1.00 41.11 O ATOM 105 CB TRP A 7 -4.488 11.265 10.782 1.00 33.44 C ATOM 106 CG TRP A 7 -5.795 10.635 10.403 1.00 3.24 C ATOM 107 CD1 TRP A 7 -6.414 10.701 9.188 1.00 12.11 C ATOM 108 CD2 TRP A 7 -6.642 9.846 11.246 1.00 52.53 C ATOM 109 NE1 TRP A 7 -7.596 10.001 9.224 1.00 22.32 N ATOM 110 CE2 TRP A 7 -7.758 9.466 10.475 1.00 53.31 C ATOM 111 CE3 TRP A 7 -6.566 9.423 12.575 1.00 31.41 C ATOM 112 CZ2 TRP A 7 -8.788 8.685 10.992 1.00 70.43 C ATOM 113 CZ3 TRP A 7 -7.589 8.647 13.087 1.00 50.14 C ATOM 114 CH2 TRP A 7 -8.688 8.284 12.296 1.00 24.22 C ATOM 0 H TRP A 7 -2.816 10.402 8.967 1.00 32.42 H new ATOM 0 HA TRP A 7 -4.626 12.720 9.206 1.00 32.45 H new ATOM 0 HB2 TRP A 7 -3.790 10.484 11.084 1.00 33.44 H new ATOM 0 HB3 TRP A 7 -4.641 11.908 11.648 1.00 33.44 H new ATOM 0 HD1 TRP A 7 -6.031 11.226 8.325 1.00 12.11 H new ATOM 0 HE1 TRP A 7 -8.247 9.897 8.446 1.00 22.32 H new ATOM 0 HE3 TRP A 7 -5.723 9.697 13.192 1.00 31.41 H new ATOM 0 HZ2 TRP A 7 -9.636 8.406 10.385 1.00 70.43 H new ATOM 0 HZ3 TRP A 7 -7.541 8.315 14.114 1.00 50.14 H new ATOM 0 HH2 TRP A 7 -9.471 7.676 12.724 1.00 24.22 H new ATOM 125 N VAL A 8 -2.946 14.290 10.086 1.00 15.22 N ATOM 126 CA VAL A 8 -1.969 15.253 10.579 1.00 24.21 C ATOM 127 C VAL A 8 -2.625 16.289 11.485 1.00 72.43 C ATOM 128 O VAL A 8 -3.382 17.143 11.023 1.00 61.45 O ATOM 129 CB VAL A 8 -1.260 15.977 9.419 1.00 23.21 C ATOM 130 CG1 VAL A 8 -0.111 16.825 9.942 1.00 43.52 C ATOM 131 CG2 VAL A 8 -0.766 14.974 8.388 1.00 72.54 C ATOM 0 H VAL A 8 -3.765 14.709 9.646 1.00 15.22 H new ATOM 0 HA VAL A 8 -1.232 14.690 11.151 1.00 24.21 H new ATOM 0 HB VAL A 8 -1.978 16.639 8.934 1.00 23.21 H new ATOM 0 HG11 VAL A 8 0.378 17.329 9.108 1.00 43.52 H new ATOM 0 HG12 VAL A 8 -0.496 17.568 10.640 1.00 43.52 H new ATOM 0 HG13 VAL A 8 0.609 16.186 10.453 1.00 43.52 H new ATOM 0 HG21 VAL A 8 -0.268 15.503 7.576 1.00 72.54 H new ATOM 0 HG22 VAL A 8 -0.063 14.286 8.858 1.00 72.54 H new ATOM 0 HG23 VAL A 8 -1.612 14.414 7.991 1.00 72.54 H new ATOM 141 N VAL A 9 -2.330 16.208 12.778 1.00 33.43 N ATOM 142 CA VAL A 9 -2.891 17.139 13.750 1.00 44.10 C ATOM 143 C VAL A 9 -1.868 18.196 14.151 1.00 40.54 C ATOM 144 O VAL A 9 -0.893 17.902 14.843 1.00 75.42 O ATOM 145 CB VAL A 9 -3.377 16.406 15.014 1.00 11.23 C ATOM 146 CG1 VAL A 9 -2.250 15.586 15.624 1.00 41.45 C ATOM 147 CG2 VAL A 9 -3.932 17.399 16.025 1.00 62.22 C ATOM 0 H VAL A 9 -1.706 15.507 13.177 1.00 33.43 H new ATOM 0 HA VAL A 9 -3.742 17.623 13.270 1.00 44.10 H new ATOM 0 HB VAL A 9 -4.178 15.723 14.731 1.00 11.23 H new ATOM 0 HG11 VAL A 9 -2.613 15.076 16.516 1.00 41.45 H new ATOM 0 HG12 VAL A 9 -1.903 14.849 14.900 1.00 41.45 H new ATOM 0 HG13 VAL A 9 -1.425 16.245 15.894 1.00 41.45 H new ATOM 0 HG21 VAL A 9 -4.271 16.864 16.912 1.00 62.22 H new ATOM 0 HG22 VAL A 9 -3.153 18.108 16.304 1.00 62.22 H new ATOM 0 HG23 VAL A 9 -4.771 17.937 15.584 1.00 62.22 H new ATOM 157 N ASP A 10 -2.097 19.429 13.711 1.00 2.14 N ATOM 158 CA ASP A 10 -1.196 20.532 14.025 1.00 12.23 C ATOM 159 C ASP A 10 -1.956 21.853 14.089 1.00 54.35 C ATOM 160 O ASP A 10 -3.019 21.999 13.484 1.00 21.00 O ATOM 161 CB ASP A 10 -0.081 20.621 12.983 1.00 62.35 C ATOM 162 CG ASP A 10 0.943 21.687 13.319 1.00 23.42 C ATOM 163 OD1 ASP A 10 1.406 21.719 14.479 1.00 52.35 O ATOM 164 OD2 ASP A 10 1.282 22.489 12.424 1.00 73.24 O ATOM 0 H ASP A 10 -2.898 19.689 13.136 1.00 2.14 H new ATOM 0 HA ASP A 10 -0.754 20.340 15.003 1.00 12.23 H new ATOM 0 HB2 ASP A 10 0.417 19.655 12.905 1.00 62.35 H new ATOM 0 HB3 ASP A 10 -0.516 20.835 12.007 1.00 62.35 H new ATOM 169 N ASP A 11 -1.406 22.812 14.825 1.00 44.24 N ATOM 170 CA ASP A 11 -2.031 24.122 14.967 1.00 35.41 C ATOM 171 C ASP A 11 -1.247 25.185 14.205 1.00 25.03 C ATOM 172 O ASP A 11 -0.462 25.931 14.792 1.00 72.11 O ATOM 173 CB ASP A 11 -2.132 24.505 16.444 1.00 22.44 C ATOM 174 CG ASP A 11 -2.656 25.913 16.643 1.00 34.01 C ATOM 175 OD1 ASP A 11 -3.504 26.349 15.837 1.00 51.12 O ATOM 176 OD2 ASP A 11 -2.219 26.580 17.604 1.00 24.55 O ATOM 0 H ASP A 11 -0.528 22.707 15.333 1.00 44.24 H new ATOM 0 HA ASP A 11 -3.034 24.066 14.545 1.00 35.41 H new ATOM 0 HB2 ASP A 11 -2.789 23.801 16.955 1.00 22.44 H new ATOM 0 HB3 ASP A 11 -1.149 24.418 16.907 1.00 22.44 H new ATOM 181 N ASP A 12 -1.462 25.248 12.896 1.00 33.41 N ATOM 182 CA ASP A 12 -0.775 26.219 12.054 1.00 52.55 C ATOM 183 C ASP A 12 -1.237 26.105 10.604 1.00 24.50 C ATOM 184 O ASP A 12 -1.144 25.039 9.995 1.00 23.33 O ATOM 185 CB ASP A 12 0.739 26.019 12.137 1.00 32.22 C ATOM 186 CG ASP A 12 1.492 27.331 12.234 1.00 22.33 C ATOM 187 OD1 ASP A 12 1.307 28.188 11.346 1.00 61.15 O ATOM 188 OD2 ASP A 12 2.268 27.500 13.199 1.00 52.03 O ATOM 0 H ASP A 12 -2.107 24.637 12.395 1.00 33.41 H new ATOM 0 HA ASP A 12 -1.022 27.216 12.418 1.00 52.55 H new ATOM 0 HB2 ASP A 12 0.974 25.404 13.005 1.00 32.22 H new ATOM 0 HB3 ASP A 12 1.079 25.472 11.257 1.00 32.22 H new ATOM 193 N SER A 13 -1.735 27.209 10.058 1.00 72.03 N ATOM 194 CA SER A 13 -2.216 27.231 8.681 1.00 21.12 C ATOM 195 C SER A 13 -1.054 27.125 7.698 1.00 30.42 C ATOM 196 O SER A 13 -1.224 26.671 6.566 1.00 4.43 O ATOM 197 CB SER A 13 -3.008 28.513 8.416 1.00 62.24 C ATOM 198 OG SER A 13 -3.259 29.216 9.620 1.00 5.10 O ATOM 0 H SER A 13 -1.816 28.100 10.547 1.00 72.03 H new ATOM 0 HA SER A 13 -2.871 26.371 8.537 1.00 21.12 H new ATOM 0 HB2 SER A 13 -2.453 29.151 7.728 1.00 62.24 H new ATOM 0 HB3 SER A 13 -3.953 28.267 7.931 1.00 62.24 H new ATOM 0 HG SER A 13 -3.765 30.032 9.423 1.00 5.10 H new ATOM 204 N SER A 14 0.127 27.546 8.140 1.00 52.04 N ATOM 205 CA SER A 14 1.317 27.502 7.299 1.00 42.44 C ATOM 206 C SER A 14 1.760 26.062 7.059 1.00 44.44 C ATOM 207 O SER A 14 2.093 25.683 5.935 1.00 2.04 O ATOM 208 CB SER A 14 2.454 28.297 7.945 1.00 33.32 C ATOM 209 OG SER A 14 1.951 29.243 8.872 1.00 1.33 O ATOM 0 H SER A 14 0.285 27.921 9.075 1.00 52.04 H new ATOM 0 HA SER A 14 1.069 27.952 6.338 1.00 42.44 H new ATOM 0 HB2 SER A 14 3.137 27.615 8.451 1.00 33.32 H new ATOM 0 HB3 SER A 14 3.028 28.809 7.173 1.00 33.32 H new ATOM 0 HG SER A 14 1.866 28.824 9.754 1.00 1.33 H new ATOM 215 N ILE A 15 1.762 25.266 8.122 1.00 72.41 N ATOM 216 CA ILE A 15 2.163 23.867 8.028 1.00 53.44 C ATOM 217 C ILE A 15 0.988 22.985 7.619 1.00 31.04 C ATOM 218 O ILE A 15 1.175 21.865 7.144 1.00 25.24 O ATOM 219 CB ILE A 15 2.736 23.355 9.362 1.00 71.20 C ATOM 220 CG1 ILE A 15 3.768 24.341 9.911 1.00 2.53 C ATOM 221 CG2 ILE A 15 3.357 21.978 9.178 1.00 54.02 C ATOM 222 CD1 ILE A 15 4.907 24.619 8.955 1.00 2.02 C ATOM 0 H ILE A 15 1.491 25.565 9.059 1.00 72.41 H new ATOM 0 HA ILE A 15 2.939 23.811 7.264 1.00 53.44 H new ATOM 0 HB ILE A 15 1.922 23.272 10.082 1.00 71.20 H new ATOM 0 HG12 ILE A 15 3.269 25.280 10.152 1.00 2.53 H new ATOM 0 HG13 ILE A 15 4.174 23.948 10.843 1.00 2.53 H new ATOM 0 HG21 ILE A 15 3.758 21.629 10.130 1.00 54.02 H new ATOM 0 HG22 ILE A 15 2.597 21.280 8.827 1.00 54.02 H new ATOM 0 HG23 ILE A 15 4.162 22.037 8.445 1.00 54.02 H new ATOM 0 HD11 ILE A 15 5.600 25.326 9.411 1.00 2.02 H new ATOM 0 HD12 ILE A 15 5.431 23.689 8.733 1.00 2.02 H new ATOM 0 HD13 ILE A 15 4.512 25.042 8.031 1.00 2.02 H new ATOM 234 N ARG A 16 -0.224 23.498 7.806 1.00 4.42 N ATOM 235 CA ARG A 16 -1.430 22.757 7.457 1.00 44.52 C ATOM 236 C ARG A 16 -1.631 22.729 5.945 1.00 72.14 C ATOM 237 O ARG A 16 -1.866 21.671 5.360 1.00 44.43 O ATOM 238 CB ARG A 16 -2.651 23.382 8.133 1.00 34.13 C ATOM 239 CG ARG A 16 -2.940 22.814 9.514 1.00 43.55 C ATOM 240 CD ARG A 16 -3.869 21.613 9.439 1.00 53.30 C ATOM 241 NE ARG A 16 -5.194 21.976 8.941 1.00 5.13 N ATOM 242 CZ ARG A 16 -6.091 22.643 9.658 1.00 2.25 C ATOM 243 NH1 ARG A 16 -5.807 23.019 10.898 1.00 72.30 N ATOM 244 NH2 ARG A 16 -7.275 22.936 9.136 1.00 44.43 N ATOM 0 H ARG A 16 -0.397 24.424 8.197 1.00 4.42 H new ATOM 0 HA ARG A 16 -1.313 21.732 7.810 1.00 44.52 H new ATOM 0 HB2 ARG A 16 -2.498 24.458 8.217 1.00 34.13 H new ATOM 0 HB3 ARG A 16 -3.524 23.232 7.498 1.00 34.13 H new ATOM 0 HG2 ARG A 16 -2.005 22.523 9.992 1.00 43.55 H new ATOM 0 HG3 ARG A 16 -3.390 23.585 10.139 1.00 43.55 H new ATOM 0 HD2 ARG A 16 -3.432 20.856 8.788 1.00 53.30 H new ATOM 0 HD3 ARG A 16 -3.964 21.166 10.428 1.00 53.30 H new ATOM 0 HE ARG A 16 -5.444 21.702 7.991 1.00 5.13 H new ATOM 0 HH11 ARG A 16 -4.898 22.796 11.303 1.00 72.30 H new ATOM 0 HH12 ARG A 16 -6.498 23.531 11.446 1.00 72.30 H new ATOM 0 HH21 ARG A 16 -7.497 22.649 8.183 1.00 44.43 H new ATOM 0 HH22 ARG A 16 -7.963 23.448 9.688 1.00 44.43 H new ATOM 258 N TRP A 17 -1.539 23.897 5.319 1.00 61.42 N ATOM 259 CA TRP A 17 -1.712 24.005 3.875 1.00 42.44 C ATOM 260 C TRP A 17 -0.788 23.039 3.142 1.00 74.35 C ATOM 261 O TRP A 17 -1.247 22.153 2.420 1.00 33.34 O ATOM 262 CB TRP A 17 -1.440 25.438 3.414 1.00 4.42 C ATOM 263 CG TRP A 17 -1.223 25.556 1.936 1.00 41.21 C ATOM 264 CD1 TRP A 17 -2.155 25.379 0.954 1.00 35.11 C ATOM 265 CD2 TRP A 17 0.005 25.876 1.273 1.00 61.44 C ATOM 266 NE1 TRP A 17 -1.581 25.569 -0.280 1.00 32.33 N ATOM 267 CE2 TRP A 17 -0.257 25.875 -0.112 1.00 2.35 C ATOM 268 CE3 TRP A 17 1.300 26.164 1.713 1.00 74.31 C ATOM 269 CZ2 TRP A 17 0.729 26.151 -1.055 1.00 61.34 C ATOM 270 CZ3 TRP A 17 2.277 26.437 0.775 1.00 70.51 C ATOM 271 CH2 TRP A 17 1.988 26.429 -0.596 1.00 53.31 C ATOM 0 H TRP A 17 -1.346 24.782 5.788 1.00 61.42 H new ATOM 0 HA TRP A 17 -2.743 23.743 3.637 1.00 42.44 H new ATOM 0 HB2 TRP A 17 -2.280 26.070 3.702 1.00 4.42 H new ATOM 0 HB3 TRP A 17 -0.561 25.819 3.934 1.00 4.42 H new ATOM 0 HD1 TRP A 17 -3.192 25.127 1.122 1.00 35.11 H new ATOM 0 HE1 TRP A 17 -2.063 25.494 -1.176 1.00 32.33 H new ATOM 0 HE3 TRP A 17 1.533 26.173 2.768 1.00 74.31 H new ATOM 0 HZ2 TRP A 17 0.508 26.146 -2.112 1.00 61.34 H new ATOM 0 HZ3 TRP A 17 3.281 26.660 1.104 1.00 70.51 H new ATOM 0 HH2 TRP A 17 2.774 26.646 -1.304 1.00 53.31 H new ATOM 282 N VAL A 18 0.516 23.214 3.330 1.00 14.24 N ATOM 283 CA VAL A 18 1.504 22.356 2.688 1.00 74.03 C ATOM 284 C VAL A 18 1.228 20.886 2.981 1.00 70.50 C ATOM 285 O VAL A 18 1.475 20.017 2.143 1.00 23.13 O ATOM 286 CB VAL A 18 2.932 22.701 3.149 1.00 10.22 C ATOM 287 CG1 VAL A 18 3.431 23.956 2.449 1.00 13.35 C ATOM 288 CG2 VAL A 18 2.977 22.870 4.660 1.00 21.43 C ATOM 0 H VAL A 18 0.913 23.943 3.923 1.00 14.24 H new ATOM 0 HA VAL A 18 1.425 22.531 1.615 1.00 74.03 H new ATOM 0 HB VAL A 18 3.592 21.877 2.878 1.00 10.22 H new ATOM 0 HG11 VAL A 18 4.442 24.184 2.788 1.00 13.35 H new ATOM 0 HG12 VAL A 18 3.437 23.793 1.371 1.00 13.35 H new ATOM 0 HG13 VAL A 18 2.772 24.791 2.686 1.00 13.35 H new ATOM 0 HG21 VAL A 18 3.994 23.114 4.969 1.00 21.43 H new ATOM 0 HG22 VAL A 18 2.305 23.675 4.956 1.00 21.43 H new ATOM 0 HG23 VAL A 18 2.665 21.942 5.139 1.00 21.43 H new ATOM 298 N LEU A 19 0.714 20.613 4.175 1.00 31.50 N ATOM 299 CA LEU A 19 0.403 19.246 4.580 1.00 62.10 C ATOM 300 C LEU A 19 -0.829 18.727 3.846 1.00 13.31 C ATOM 301 O LEU A 19 -0.963 17.527 3.610 1.00 12.13 O ATOM 302 CB LEU A 19 0.176 19.180 6.091 1.00 22.03 C ATOM 303 CG LEU A 19 1.387 18.780 6.935 1.00 1.21 C ATOM 304 CD1 LEU A 19 1.569 17.270 6.926 1.00 14.34 C ATOM 305 CD2 LEU A 19 2.643 19.473 6.427 1.00 1.14 C ATOM 0 H LEU A 19 0.504 21.320 4.880 1.00 31.50 H new ATOM 0 HA LEU A 19 1.252 18.614 4.318 1.00 62.10 H new ATOM 0 HB2 LEU A 19 -0.171 20.157 6.429 1.00 22.03 H new ATOM 0 HB3 LEU A 19 -0.628 18.471 6.287 1.00 22.03 H new ATOM 0 HG LEU A 19 1.210 19.098 7.963 1.00 1.21 H new ATOM 0 HD11 LEU A 19 2.435 17.004 7.532 1.00 14.34 H new ATOM 0 HD12 LEU A 19 0.679 16.794 7.337 1.00 14.34 H new ATOM 0 HD13 LEU A 19 1.723 16.928 5.903 1.00 14.34 H new ATOM 0 HD21 LEU A 19 3.495 19.177 7.039 1.00 1.14 H new ATOM 0 HD22 LEU A 19 2.823 19.186 5.391 1.00 1.14 H new ATOM 0 HD23 LEU A 19 2.512 20.553 6.486 1.00 1.14 H new ATOM 317 N GLU A 20 -1.725 19.641 3.486 1.00 34.10 N ATOM 318 CA GLU A 20 -2.946 19.275 2.777 1.00 31.23 C ATOM 319 C GLU A 20 -2.695 19.179 1.275 1.00 12.02 C ATOM 320 O GLU A 20 -2.872 18.120 0.672 1.00 41.51 O ATOM 321 CB GLU A 20 -4.050 20.296 3.057 1.00 55.31 C ATOM 322 CG GLU A 20 -5.275 20.125 2.174 1.00 14.43 C ATOM 323 CD GLU A 20 -6.574 20.270 2.944 1.00 22.31 C ATOM 324 OE1 GLU A 20 -6.559 20.912 4.015 1.00 35.33 O ATOM 325 OE2 GLU A 20 -7.604 19.741 2.476 1.00 4.00 O ATOM 0 H GLU A 20 -1.629 20.639 3.673 1.00 34.10 H new ATOM 0 HA GLU A 20 -3.266 18.297 3.137 1.00 31.23 H new ATOM 0 HB2 GLU A 20 -4.351 20.216 4.101 1.00 55.31 H new ATOM 0 HB3 GLU A 20 -3.649 21.300 2.917 1.00 55.31 H new ATOM 0 HG2 GLU A 20 -5.247 20.864 1.373 1.00 14.43 H new ATOM 0 HG3 GLU A 20 -5.244 19.143 1.702 1.00 14.43 H new ATOM 332 N ARG A 21 -2.283 20.292 0.678 1.00 41.41 N ATOM 333 CA ARG A 21 -2.009 20.335 -0.753 1.00 54.35 C ATOM 334 C ARG A 21 -1.078 19.198 -1.163 1.00 43.42 C ATOM 335 O ARG A 21 -1.123 18.724 -2.298 1.00 1.02 O ATOM 336 CB ARG A 21 -1.389 21.680 -1.136 1.00 10.33 C ATOM 337 CG ARG A 21 -0.004 21.901 -0.549 1.00 14.11 C ATOM 338 CD ARG A 21 1.086 21.609 -1.568 1.00 53.33 C ATOM 339 NE ARG A 21 1.199 22.669 -2.567 1.00 75.53 N ATOM 340 CZ ARG A 21 1.919 22.558 -3.678 1.00 21.42 C ATOM 341 NH1 ARG A 21 2.587 21.440 -3.930 1.00 14.20 N ATOM 342 NH2 ARG A 21 1.972 23.566 -4.539 1.00 24.31 N ATOM 0 H ARG A 21 -2.132 21.176 1.163 1.00 41.41 H new ATOM 0 HA ARG A 21 -2.955 20.216 -1.282 1.00 54.35 H new ATOM 0 HB2 ARG A 21 -1.329 21.747 -2.222 1.00 10.33 H new ATOM 0 HB3 ARG A 21 -2.048 22.482 -0.803 1.00 10.33 H new ATOM 0 HG2 ARG A 21 0.086 22.931 -0.204 1.00 14.11 H new ATOM 0 HG3 ARG A 21 0.130 21.260 0.322 1.00 14.11 H new ATOM 0 HD2 ARG A 21 2.040 21.491 -1.055 1.00 53.33 H new ATOM 0 HD3 ARG A 21 0.873 20.663 -2.066 1.00 53.33 H new ATOM 0 HE ARG A 21 0.698 23.542 -2.403 1.00 75.53 H new ATOM 0 HH11 ARG A 21 2.549 20.663 -3.270 1.00 14.20 H new ATOM 0 HH12 ARG A 21 3.139 21.357 -4.784 1.00 14.20 H new ATOM 0 HH21 ARG A 21 1.460 24.427 -4.348 1.00 24.31 H new ATOM 0 HH22 ARG A 21 2.525 23.480 -5.392 1.00 24.31 H new ATOM 356 N ALA A 22 -0.234 18.767 -0.232 1.00 3.14 N ATOM 357 CA ALA A 22 0.707 17.686 -0.495 1.00 64.42 C ATOM 358 C ALA A 22 -0.024 16.372 -0.750 1.00 65.21 C ATOM 359 O ALA A 22 0.204 15.709 -1.763 1.00 65.00 O ATOM 360 CB ALA A 22 1.678 17.535 0.667 1.00 15.22 C ATOM 0 H ALA A 22 -0.183 19.150 0.712 1.00 3.14 H new ATOM 0 HA ALA A 22 1.270 17.939 -1.393 1.00 64.42 H new ATOM 0 HB1 ALA A 22 2.375 16.724 0.456 1.00 15.22 H new ATOM 0 HB2 ALA A 22 2.233 18.464 0.801 1.00 15.22 H new ATOM 0 HB3 ALA A 22 1.123 17.309 1.578 1.00 15.22 H new ATOM 366 N LEU A 23 -0.902 16.000 0.174 1.00 21.04 N ATOM 367 CA LEU A 23 -1.667 14.764 0.050 1.00 24.21 C ATOM 368 C LEU A 23 -2.751 14.899 -1.014 1.00 13.13 C ATOM 369 O LEU A 23 -2.871 14.057 -1.903 1.00 32.44 O ATOM 370 CB LEU A 23 -2.297 14.394 1.394 1.00 73.23 C ATOM 371 CG LEU A 23 -1.400 14.550 2.622 1.00 13.51 C ATOM 372 CD1 LEU A 23 -2.231 14.527 3.896 1.00 63.31 C ATOM 373 CD2 LEU A 23 -0.342 13.457 2.653 1.00 50.44 C ATOM 0 H LEU A 23 -1.102 16.537 1.018 1.00 21.04 H new ATOM 0 HA LEU A 23 -0.983 13.971 -0.254 1.00 24.21 H new ATOM 0 HB2 LEU A 23 -3.185 15.009 1.538 1.00 73.23 H new ATOM 0 HB3 LEU A 23 -2.631 13.358 1.343 1.00 73.23 H new ATOM 0 HG LEU A 23 -0.895 15.514 2.559 1.00 13.51 H new ATOM 0 HD11 LEU A 23 -1.576 14.639 4.760 1.00 63.31 H new ATOM 0 HD12 LEU A 23 -2.949 15.346 3.877 1.00 63.31 H new ATOM 0 HD13 LEU A 23 -2.764 13.579 3.966 1.00 63.31 H new ATOM 0 HD21 LEU A 23 0.287 13.584 3.534 1.00 50.44 H new ATOM 0 HD22 LEU A 23 -0.827 12.482 2.692 1.00 50.44 H new ATOM 0 HD23 LEU A 23 0.273 13.521 1.756 1.00 50.44 H new ATOM 385 N ALA A 24 -3.538 15.966 -0.917 1.00 43.12 N ATOM 386 CA ALA A 24 -4.609 16.214 -1.873 1.00 54.24 C ATOM 387 C ALA A 24 -4.096 16.131 -3.307 1.00 12.50 C ATOM 388 O ALA A 24 -4.833 15.762 -4.220 1.00 70.21 O ATOM 389 CB ALA A 24 -5.243 17.573 -1.615 1.00 50.22 C ATOM 0 H ALA A 24 -3.453 16.672 -0.186 1.00 43.12 H new ATOM 0 HA ALA A 24 -5.366 15.441 -1.741 1.00 54.24 H new ATOM 0 HB1 ALA A 24 -6.042 17.745 -2.337 1.00 50.22 H new ATOM 0 HB2 ALA A 24 -5.655 17.597 -0.606 1.00 50.22 H new ATOM 0 HB3 ALA A 24 -4.488 18.352 -1.717 1.00 50.22 H new ATOM 395 N GLY A 25 -2.827 16.479 -3.497 1.00 41.14 N ATOM 396 CA GLY A 25 -2.237 16.438 -4.823 1.00 34.11 C ATOM 397 C GLY A 25 -1.680 15.071 -5.167 1.00 73.14 C ATOM 398 O GLY A 25 -1.853 14.587 -6.286 1.00 23.24 O ATOM 0 H GLY A 25 -2.197 16.788 -2.757 1.00 41.14 H new ATOM 0 HA2 GLY A 25 -2.989 16.717 -5.561 1.00 34.11 H new ATOM 0 HA3 GLY A 25 -1.439 17.178 -4.886 1.00 34.11 H new ATOM 402 N ALA A 26 -1.009 14.447 -4.205 1.00 2.52 N ATOM 403 CA ALA A 26 -0.425 13.128 -4.412 1.00 2.11 C ATOM 404 C ALA A 26 -1.508 12.062 -4.537 1.00 62.11 C ATOM 405 O ALA A 26 -1.265 10.974 -5.058 1.00 44.43 O ATOM 406 CB ALA A 26 0.525 12.787 -3.274 1.00 24.14 C ATOM 0 H ALA A 26 -0.856 14.834 -3.274 1.00 2.52 H new ATOM 0 HA ALA A 26 0.137 13.149 -5.346 1.00 2.11 H new ATOM 0 HB1 ALA A 26 0.954 11.799 -3.442 1.00 24.14 H new ATOM 0 HB2 ALA A 26 1.324 13.527 -3.233 1.00 24.14 H new ATOM 0 HB3 ALA A 26 -0.021 12.790 -2.331 1.00 24.14 H new ATOM 412 N GLY A 27 -2.705 12.381 -4.055 1.00 11.23 N ATOM 413 CA GLY A 27 -3.807 11.439 -4.122 1.00 11.43 C ATOM 414 C GLY A 27 -4.108 10.803 -2.779 1.00 72.35 C ATOM 415 O GLY A 27 -5.143 10.156 -2.608 1.00 43.44 O ATOM 0 H GLY A 27 -2.931 13.275 -3.619 1.00 11.23 H new ATOM 0 HA2 GLY A 27 -4.698 11.952 -4.486 1.00 11.43 H new ATOM 0 HA3 GLY A 27 -3.571 10.659 -4.845 1.00 11.43 H new ATOM 419 N LEU A 28 -3.203 10.983 -1.825 1.00 5.25 N ATOM 420 CA LEU A 28 -3.375 10.420 -0.490 1.00 32.10 C ATOM 421 C LEU A 28 -4.535 11.092 0.239 1.00 63.53 C ATOM 422 O LEU A 28 -4.833 12.264 0.007 1.00 73.42 O ATOM 423 CB LEU A 28 -2.088 10.577 0.322 1.00 52.02 C ATOM 424 CG LEU A 28 -0.791 10.207 -0.398 1.00 71.32 C ATOM 425 CD1 LEU A 28 0.412 10.761 0.350 1.00 55.14 C ATOM 426 CD2 LEU A 28 -0.678 8.697 -0.550 1.00 24.23 C ATOM 0 H LEU A 28 -2.342 11.515 -1.950 1.00 5.25 H new ATOM 0 HA LEU A 28 -3.602 9.359 -0.597 1.00 32.10 H new ATOM 0 HB2 LEU A 28 -2.014 11.613 0.652 1.00 52.02 H new ATOM 0 HB3 LEU A 28 -2.170 9.963 1.218 1.00 52.02 H new ATOM 0 HG LEU A 28 -0.810 10.652 -1.393 1.00 71.32 H new ATOM 0 HD11 LEU A 28 1.326 10.488 -0.177 1.00 55.14 H new ATOM 0 HD12 LEU A 28 0.337 11.847 0.407 1.00 55.14 H new ATOM 0 HD13 LEU A 28 0.437 10.346 1.358 1.00 55.14 H new ATOM 0 HD21 LEU A 28 0.251 8.452 -1.065 1.00 24.23 H new ATOM 0 HD22 LEU A 28 -0.681 8.231 0.435 1.00 24.23 H new ATOM 0 HD23 LEU A 28 -1.523 8.325 -1.130 1.00 24.23 H new ATOM 438 N THR A 29 -5.185 10.342 1.123 1.00 30.33 N ATOM 439 CA THR A 29 -6.311 10.864 1.887 1.00 1.11 C ATOM 440 C THR A 29 -5.863 11.960 2.848 1.00 63.25 C ATOM 441 O THR A 29 -5.066 11.716 3.754 1.00 22.33 O ATOM 442 CB THR A 29 -7.012 9.750 2.688 1.00 44.41 C ATOM 443 OG1 THR A 29 -7.189 8.592 1.865 1.00 42.34 O ATOM 444 CG2 THR A 29 -8.362 10.223 3.205 1.00 51.05 C ATOM 0 H THR A 29 -4.951 9.371 1.328 1.00 30.33 H new ATOM 0 HA THR A 29 -7.015 11.281 1.167 1.00 1.11 H new ATOM 0 HB THR A 29 -6.383 9.496 3.541 1.00 44.41 H new ATOM 0 HG1 THR A 29 -6.400 8.016 1.937 1.00 42.34 H new ATOM 0 HG21 THR A 29 -8.838 9.420 3.767 1.00 51.05 H new ATOM 0 HG22 THR A 29 -8.220 11.086 3.855 1.00 51.05 H new ATOM 0 HG23 THR A 29 -8.996 10.502 2.364 1.00 51.05 H new ATOM 452 N CYS A 30 -6.379 13.166 2.644 1.00 54.45 N ATOM 453 CA CYS A 30 -6.032 14.301 3.492 1.00 23.54 C ATOM 454 C CYS A 30 -7.081 14.508 4.579 1.00 14.22 C ATOM 455 O CYS A 30 -8.240 14.809 4.290 1.00 10.30 O ATOM 456 CB CYS A 30 -5.893 15.570 2.651 1.00 11.21 C ATOM 457 SG CYS A 30 -5.713 17.084 3.623 1.00 32.04 S ATOM 0 H CYS A 30 -7.040 13.384 1.898 1.00 54.45 H new ATOM 0 HA CYS A 30 -5.077 14.086 3.971 1.00 23.54 H new ATOM 0 HB2 CYS A 30 -5.028 15.466 1.996 1.00 11.21 H new ATOM 0 HB3 CYS A 30 -6.769 15.665 2.009 1.00 11.21 H new ATOM 0 HG CYS A 30 -6.857 17.699 3.684 1.00 32.04 H new ATOM 463 N THR A 31 -6.669 14.344 5.832 1.00 20.44 N ATOM 464 CA THR A 31 -7.574 14.510 6.963 1.00 64.12 C ATOM 465 C THR A 31 -6.855 15.131 8.155 1.00 30.43 C ATOM 466 O THR A 31 -5.904 14.557 8.688 1.00 12.53 O ATOM 467 CB THR A 31 -8.189 13.165 7.392 1.00 34.12 C ATOM 468 OG1 THR A 31 -8.985 12.629 6.329 1.00 31.23 O ATOM 469 CG2 THR A 31 -9.046 13.335 8.638 1.00 70.02 C ATOM 0 H THR A 31 -5.714 14.096 6.090 1.00 20.44 H new ATOM 0 HA THR A 31 -8.371 15.177 6.635 1.00 64.12 H new ATOM 0 HB THR A 31 -7.376 12.475 7.620 1.00 34.12 H new ATOM 0 HG1 THR A 31 -9.371 11.773 6.609 1.00 31.23 H new ATOM 0 HG21 THR A 31 -9.470 12.372 8.922 1.00 70.02 H new ATOM 0 HG22 THR A 31 -8.431 13.716 9.453 1.00 70.02 H new ATOM 0 HG23 THR A 31 -9.852 14.039 8.432 1.00 70.02 H new ATOM 477 N THR A 32 -7.315 16.306 8.571 1.00 14.45 N ATOM 478 CA THR A 32 -6.716 17.005 9.701 1.00 12.42 C ATOM 479 C THR A 32 -7.783 17.498 10.672 1.00 75.11 C ATOM 480 O THR A 32 -8.978 17.307 10.445 1.00 15.04 O ATOM 481 CB THR A 32 -5.870 18.205 9.235 1.00 62.02 C ATOM 482 OG1 THR A 32 -6.723 19.244 8.741 1.00 23.13 O ATOM 483 CG2 THR A 32 -4.891 17.787 8.148 1.00 22.43 C ATOM 0 H THR A 32 -8.101 16.794 8.142 1.00 14.45 H new ATOM 0 HA THR A 32 -6.070 16.289 10.208 1.00 12.42 H new ATOM 0 HB THR A 32 -5.304 18.576 10.090 1.00 62.02 H new ATOM 0 HG1 THR A 32 -6.252 19.753 8.048 1.00 23.13 H new ATOM 0 HG21 THR A 32 -4.305 18.651 7.835 1.00 22.43 H new ATOM 0 HG22 THR A 32 -4.224 17.017 8.536 1.00 22.43 H new ATOM 0 HG23 THR A 32 -5.442 17.393 7.294 1.00 22.43 H new ATOM 491 N PHE A 33 -7.345 18.133 11.754 1.00 40.03 N ATOM 492 CA PHE A 33 -8.264 18.653 12.760 1.00 44.12 C ATOM 493 C PHE A 33 -7.693 19.903 13.423 1.00 23.13 C ATOM 494 O PHE A 33 -8.051 21.025 13.068 1.00 13.01 O ATOM 495 CB PHE A 33 -8.551 17.586 13.818 1.00 15.32 C ATOM 496 CG PHE A 33 -9.085 16.304 13.247 1.00 71.30 C ATOM 497 CD1 PHE A 33 -8.222 15.312 12.811 1.00 65.11 C ATOM 498 CD2 PHE A 33 -10.450 16.090 13.146 1.00 54.24 C ATOM 499 CE1 PHE A 33 -8.709 14.130 12.285 1.00 12.30 C ATOM 500 CE2 PHE A 33 -10.944 14.911 12.621 1.00 21.41 C ATOM 501 CZ PHE A 33 -10.072 13.930 12.189 1.00 33.01 C ATOM 0 H PHE A 33 -6.359 18.300 11.957 1.00 40.03 H new ATOM 0 HA PHE A 33 -9.196 18.921 12.262 1.00 44.12 H new ATOM 0 HB2 PHE A 33 -7.634 17.375 14.368 1.00 15.32 H new ATOM 0 HB3 PHE A 33 -9.269 17.982 14.536 1.00 15.32 H new ATOM 0 HD1 PHE A 33 -7.155 15.464 12.883 1.00 65.11 H new ATOM 0 HD2 PHE A 33 -11.136 16.854 13.482 1.00 54.24 H new ATOM 0 HE1 PHE A 33 -8.025 13.364 11.950 1.00 12.30 H new ATOM 0 HE2 PHE A 33 -12.010 14.756 12.548 1.00 21.41 H new ATOM 0 HZ PHE A 33 -10.456 13.008 11.777 1.00 33.01 H new ATOM 511 N GLU A 34 -6.802 19.699 14.389 1.00 35.33 N ATOM 512 CA GLU A 34 -6.183 20.809 15.104 1.00 71.14 C ATOM 513 C GLU A 34 -5.358 20.304 16.284 1.00 61.13 C ATOM 514 O GLU A 34 -4.156 20.552 16.365 1.00 2.14 O ATOM 515 CB GLU A 34 -7.252 21.787 15.596 1.00 44.32 C ATOM 516 CG GLU A 34 -7.184 23.150 14.927 1.00 61.35 C ATOM 517 CD GLU A 34 -8.417 23.991 15.191 1.00 54.35 C ATOM 518 OE1 GLU A 34 -9.138 23.697 16.167 1.00 23.24 O ATOM 519 OE2 GLU A 34 -8.663 24.943 14.421 1.00 44.41 O ATOM 0 H GLU A 34 -6.493 18.776 14.694 1.00 35.33 H new ATOM 0 HA GLU A 34 -5.517 21.327 14.413 1.00 71.14 H new ATOM 0 HB2 GLU A 34 -8.237 21.354 15.420 1.00 44.32 H new ATOM 0 HB3 GLU A 34 -7.147 21.915 16.673 1.00 44.32 H new ATOM 0 HG2 GLU A 34 -6.302 23.682 15.284 1.00 61.35 H new ATOM 0 HG3 GLU A 34 -7.063 23.017 13.852 1.00 61.35 H new ATOM 526 N ASN A 35 -6.014 19.594 17.196 1.00 2.11 N ATOM 527 CA ASN A 35 -5.342 19.055 18.373 1.00 60.21 C ATOM 528 C ASN A 35 -5.660 17.573 18.550 1.00 40.15 C ATOM 529 O ASN A 35 -6.663 17.077 18.038 1.00 11.41 O ATOM 530 CB ASN A 35 -5.759 19.830 19.624 1.00 11.12 C ATOM 531 CG ASN A 35 -7.264 19.973 19.741 1.00 73.02 C ATOM 532 OD1 ASN A 35 -8.016 19.083 19.342 1.00 12.34 O ATOM 533 ND2 ASN A 35 -7.711 21.097 20.289 1.00 30.11 N ATOM 0 H ASN A 35 -7.010 19.379 17.143 1.00 2.11 H new ATOM 0 HA ASN A 35 -4.267 19.163 18.228 1.00 60.21 H new ATOM 0 HB2 ASN A 35 -5.375 19.321 20.508 1.00 11.12 H new ATOM 0 HB3 ASN A 35 -5.303 20.820 19.603 1.00 11.12 H new ATOM 0 HD21 ASN A 35 -8.714 21.250 20.393 1.00 30.11 H new ATOM 0 HD22 ASN A 35 -7.051 21.808 20.606 1.00 30.11 H new ATOM 540 N GLY A 36 -4.798 16.871 19.278 1.00 24.15 N ATOM 541 CA GLY A 36 -5.004 15.453 19.510 1.00 11.34 C ATOM 542 C GLY A 36 -6.416 15.140 19.965 1.00 24.14 C ATOM 543 O GLY A 36 -6.963 14.090 19.632 1.00 34.02 O ATOM 0 H GLY A 36 -3.960 17.259 19.712 1.00 24.15 H new ATOM 0 HA2 GLY A 36 -4.790 14.903 18.593 1.00 11.34 H new ATOM 0 HA3 GLY A 36 -4.297 15.105 20.263 1.00 11.34 H new ATOM 547 N ASN A 37 -7.005 16.052 20.731 1.00 54.52 N ATOM 548 CA ASN A 37 -8.361 15.867 21.234 1.00 35.24 C ATOM 549 C ASN A 37 -9.316 15.498 20.103 1.00 12.10 C ATOM 550 O ASN A 37 -10.062 14.525 20.200 1.00 33.54 O ATOM 551 CB ASN A 37 -8.847 17.139 21.932 1.00 31.25 C ATOM 552 CG ASN A 37 -9.741 16.841 23.120 1.00 34.25 C ATOM 553 OD1 ASN A 37 -9.280 16.351 24.151 1.00 31.04 O ATOM 554 ND2 ASN A 37 -11.029 17.136 22.981 1.00 64.25 N ATOM 0 H ASN A 37 -6.565 16.926 21.017 1.00 54.52 H new ATOM 0 HA ASN A 37 -8.345 15.049 21.954 1.00 35.24 H new ATOM 0 HB2 ASN A 37 -7.986 17.719 22.265 1.00 31.25 H new ATOM 0 HB3 ASN A 37 -9.391 17.757 21.218 1.00 31.25 H new ATOM 0 HD21 ASN A 37 -11.679 16.957 23.747 1.00 64.25 H new ATOM 0 HD22 ASN A 37 -11.368 17.541 22.109 1.00 64.25 H new ATOM 561 N GLU A 38 -9.286 16.283 19.031 1.00 43.24 N ATOM 562 CA GLU A 38 -10.149 16.039 17.881 1.00 62.20 C ATOM 563 C GLU A 38 -9.840 14.686 17.247 1.00 61.33 C ATOM 564 O GLU A 38 -10.727 13.848 17.082 1.00 64.32 O ATOM 565 CB GLU A 38 -9.981 17.151 16.844 1.00 61.14 C ATOM 566 CG GLU A 38 -10.465 18.509 17.323 1.00 32.13 C ATOM 567 CD GLU A 38 -11.867 18.831 16.844 1.00 34.22 C ATOM 568 OE1 GLU A 38 -12.650 17.883 16.623 1.00 52.11 O ATOM 569 OE2 GLU A 38 -12.182 20.029 16.690 1.00 1.34 O ATOM 0 H GLU A 38 -8.674 17.093 18.935 1.00 43.24 H new ATOM 0 HA GLU A 38 -11.182 16.030 18.229 1.00 62.20 H new ATOM 0 HB2 GLU A 38 -8.928 17.226 16.571 1.00 61.14 H new ATOM 0 HB3 GLU A 38 -10.526 16.879 15.940 1.00 61.14 H new ATOM 0 HG2 GLU A 38 -10.442 18.535 18.412 1.00 32.13 H new ATOM 0 HG3 GLU A 38 -9.779 19.280 16.971 1.00 32.13 H new ATOM 576 N VAL A 39 -8.575 14.480 16.892 1.00 34.21 N ATOM 577 CA VAL A 39 -8.148 13.229 16.276 1.00 10.23 C ATOM 578 C VAL A 39 -8.634 12.027 17.079 1.00 51.45 C ATOM 579 O VAL A 39 -8.906 10.963 16.521 1.00 44.23 O ATOM 580 CB VAL A 39 -6.615 13.161 16.149 1.00 5.43 C ATOM 581 CG1 VAL A 39 -6.159 11.725 15.943 1.00 44.13 C ATOM 582 CG2 VAL A 39 -6.135 14.051 15.012 1.00 62.51 C ATOM 0 H VAL A 39 -7.829 15.163 17.020 1.00 34.21 H new ATOM 0 HA VAL A 39 -8.590 13.200 15.280 1.00 10.23 H new ATOM 0 HB VAL A 39 -6.174 13.526 17.077 1.00 5.43 H new ATOM 0 HG11 VAL A 39 -5.073 11.697 15.855 1.00 44.13 H new ATOM 0 HG12 VAL A 39 -6.470 11.119 16.794 1.00 44.13 H new ATOM 0 HG13 VAL A 39 -6.607 11.328 15.032 1.00 44.13 H new ATOM 0 HG21 VAL A 39 -5.049 13.991 14.936 1.00 62.51 H new ATOM 0 HG22 VAL A 39 -6.583 13.718 14.076 1.00 62.51 H new ATOM 0 HG23 VAL A 39 -6.429 15.082 15.208 1.00 62.51 H new ATOM 592 N LEU A 40 -8.742 12.204 18.391 1.00 75.23 N ATOM 593 CA LEU A 40 -9.197 11.133 19.272 1.00 40.54 C ATOM 594 C LEU A 40 -10.498 10.524 18.761 1.00 75.41 C ATOM 595 O LEU A 40 -10.579 9.319 18.522 1.00 13.11 O ATOM 596 CB LEU A 40 -9.392 11.664 20.693 1.00 54.41 C ATOM 597 CG LEU A 40 -9.050 10.695 21.825 1.00 60.24 C ATOM 598 CD1 LEU A 40 -9.693 9.339 21.578 1.00 22.34 C ATOM 599 CD2 LEU A 40 -7.542 10.554 21.968 1.00 24.10 C ATOM 0 H LEU A 40 -8.521 13.078 18.868 1.00 75.23 H new ATOM 0 HA LEU A 40 -8.433 10.355 19.283 1.00 40.54 H new ATOM 0 HB2 LEU A 40 -8.782 12.559 20.812 1.00 54.41 H new ATOM 0 HB3 LEU A 40 -10.432 11.970 20.805 1.00 54.41 H new ATOM 0 HG LEU A 40 -9.447 11.099 22.756 1.00 60.24 H new ATOM 0 HD11 LEU A 40 -9.439 8.662 22.394 1.00 22.34 H new ATOM 0 HD12 LEU A 40 -10.776 9.454 21.526 1.00 22.34 H new ATOM 0 HD13 LEU A 40 -9.326 8.928 20.638 1.00 22.34 H new ATOM 0 HD21 LEU A 40 -7.317 9.861 22.778 1.00 24.10 H new ATOM 0 HD22 LEU A 40 -7.122 10.173 21.037 1.00 24.10 H new ATOM 0 HD23 LEU A 40 -7.105 11.527 22.191 1.00 24.10 H new ATOM 611 N ALA A 41 -11.514 11.364 18.594 1.00 52.22 N ATOM 612 CA ALA A 41 -12.811 10.909 18.107 1.00 25.22 C ATOM 613 C ALA A 41 -12.654 10.024 16.875 1.00 34.11 C ATOM 614 O ALA A 41 -13.425 9.086 16.671 1.00 24.14 O ATOM 615 CB ALA A 41 -13.705 12.099 17.794 1.00 1.35 C ATOM 0 H ALA A 41 -11.464 12.364 18.789 1.00 52.22 H new ATOM 0 HA ALA A 41 -13.278 10.315 18.892 1.00 25.22 H new ATOM 0 HB1 ALA A 41 -14.670 11.744 17.431 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -13.852 12.691 18.697 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -13.235 12.716 17.029 1.00 1.35 H new ATOM 621 N ALA A 42 -11.653 10.329 16.056 1.00 54.20 N ATOM 622 CA ALA A 42 -11.396 9.561 14.845 1.00 70.54 C ATOM 623 C ALA A 42 -10.559 8.322 15.148 1.00 54.24 C ATOM 624 O ALA A 42 -10.764 7.262 14.555 1.00 33.34 O ATOM 625 CB ALA A 42 -10.701 10.429 13.806 1.00 24.44 C ATOM 0 H ALA A 42 -11.007 11.103 16.210 1.00 54.20 H new ATOM 0 HA ALA A 42 -12.354 9.231 14.444 1.00 70.54 H new ATOM 0 HB1 ALA A 42 -10.515 9.842 12.907 1.00 24.44 H new ATOM 0 HB2 ALA A 42 -11.336 11.280 13.559 1.00 24.44 H new ATOM 0 HB3 ALA A 42 -9.753 10.788 14.207 1.00 24.44 H new ATOM 631 N LEU A 43 -9.616 8.463 16.072 1.00 10.12 N ATOM 632 CA LEU A 43 -8.747 7.355 16.454 1.00 40.24 C ATOM 633 C LEU A 43 -9.567 6.143 16.882 1.00 20.42 C ATOM 634 O LEU A 43 -9.411 5.051 16.336 1.00 55.15 O ATOM 635 CB LEU A 43 -7.813 7.781 17.588 1.00 35.23 C ATOM 636 CG LEU A 43 -6.527 8.492 17.168 1.00 64.52 C ATOM 637 CD1 LEU A 43 -5.869 9.157 18.366 1.00 4.53 C ATOM 638 CD2 LEU A 43 -5.568 7.512 16.507 1.00 61.03 C ATOM 0 H LEU A 43 -9.433 9.334 16.571 1.00 10.12 H new ATOM 0 HA LEU A 43 -8.150 7.077 15.585 1.00 40.24 H new ATOM 0 HB2 LEU A 43 -8.366 8.439 18.259 1.00 35.23 H new ATOM 0 HB3 LEU A 43 -7.543 6.894 18.162 1.00 35.23 H new ATOM 0 HG LEU A 43 -6.782 9.266 16.444 1.00 64.52 H new ATOM 0 HD11 LEU A 43 -4.955 9.658 18.047 1.00 4.53 H new ATOM 0 HD12 LEU A 43 -6.553 9.889 18.797 1.00 4.53 H new ATOM 0 HD13 LEU A 43 -5.627 8.402 19.114 1.00 4.53 H new ATOM 0 HD21 LEU A 43 -4.658 8.035 16.214 1.00 61.03 H new ATOM 0 HD22 LEU A 43 -5.319 6.716 17.209 1.00 61.03 H new ATOM 0 HD23 LEU A 43 -6.039 7.082 15.623 1.00 61.03 H new ATOM 650 N ALA A 44 -10.442 6.343 17.862 1.00 22.34 N ATOM 651 CA ALA A 44 -11.290 5.267 18.361 1.00 5.03 C ATOM 652 C ALA A 44 -12.087 4.627 17.230 1.00 14.41 C ATOM 653 O ALA A 44 -12.290 3.413 17.210 1.00 13.41 O ATOM 654 CB ALA A 44 -12.226 5.790 19.440 1.00 11.32 C ATOM 0 H ALA A 44 -10.582 7.240 18.326 1.00 22.34 H new ATOM 0 HA ALA A 44 -10.646 4.501 18.794 1.00 5.03 H new ATOM 0 HB1 ALA A 44 -12.853 4.976 19.803 1.00 11.32 H new ATOM 0 HB2 ALA A 44 -11.640 6.193 20.266 1.00 11.32 H new ATOM 0 HB3 ALA A 44 -12.857 6.576 19.025 1.00 11.32 H new ATOM 660 N SER A 45 -12.538 5.452 16.290 1.00 14.13 N ATOM 661 CA SER A 45 -13.318 4.967 15.158 1.00 75.12 C ATOM 662 C SER A 45 -12.449 4.143 14.212 1.00 12.34 C ATOM 663 O SER A 45 -12.840 3.061 13.775 1.00 61.22 O ATOM 664 CB SER A 45 -13.943 6.141 14.402 1.00 75.14 C ATOM 665 OG SER A 45 -14.434 7.122 15.299 1.00 44.34 O ATOM 0 H SER A 45 -12.376 6.459 16.290 1.00 14.13 H new ATOM 0 HA SER A 45 -14.112 4.328 15.543 1.00 75.12 H new ATOM 0 HB2 SER A 45 -13.201 6.588 13.740 1.00 75.14 H new ATOM 0 HB3 SER A 45 -14.756 5.780 13.772 1.00 75.14 H new ATOM 0 HG SER A 45 -13.703 7.718 15.564 1.00 44.34 H new ATOM 671 N LYS A 46 -11.267 4.664 13.901 1.00 12.10 N ATOM 672 CA LYS A 46 -10.340 3.979 13.009 1.00 63.32 C ATOM 673 C LYS A 46 -8.922 4.514 13.182 1.00 51.52 C ATOM 674 O LYS A 46 -8.707 5.530 13.844 1.00 11.22 O ATOM 675 CB LYS A 46 -10.784 4.143 11.554 1.00 73.13 C ATOM 676 CG LYS A 46 -10.517 2.919 10.694 1.00 4.42 C ATOM 677 CD LYS A 46 -10.044 3.308 9.303 1.00 22.33 C ATOM 678 CE LYS A 46 -8.526 3.348 9.222 1.00 64.23 C ATOM 679 NZ LYS A 46 -8.011 2.563 8.065 1.00 14.12 N ATOM 0 H LYS A 46 -10.929 5.559 14.254 1.00 12.10 H new ATOM 0 HA LYS A 46 -10.344 2.920 13.266 1.00 63.32 H new ATOM 0 HB2 LYS A 46 -11.851 4.367 11.532 1.00 73.13 H new ATOM 0 HB3 LYS A 46 -10.269 5.000 11.120 1.00 73.13 H new ATOM 0 HG2 LYS A 46 -9.764 2.293 11.174 1.00 4.42 H new ATOM 0 HG3 LYS A 46 -11.426 2.322 10.617 1.00 4.42 H new ATOM 0 HD2 LYS A 46 -10.430 2.596 8.574 1.00 22.33 H new ATOM 0 HD3 LYS A 46 -10.449 4.285 9.040 1.00 22.33 H new ATOM 0 HE2 LYS A 46 -8.194 4.383 9.135 1.00 64.23 H new ATOM 0 HE3 LYS A 46 -8.103 2.954 10.146 1.00 64.23 H new ATOM 0 HZ1 LYS A 46 -6.973 2.615 8.045 1.00 14.12 H new ATOM 0 HZ2 LYS A 46 -8.306 1.570 8.160 1.00 14.12 H new ATOM 0 HZ3 LYS A 46 -8.395 2.955 7.181 1.00 14.12 H new ATOM 693 N THR A 47 -7.956 3.826 12.581 1.00 75.02 N ATOM 694 CA THR A 47 -6.560 4.233 12.668 1.00 23.32 C ATOM 695 C THR A 47 -5.884 4.174 11.303 1.00 4.32 C ATOM 696 O THR A 47 -5.890 3.147 10.624 1.00 50.51 O ATOM 697 CB THR A 47 -5.777 3.346 13.655 1.00 61.54 C ATOM 698 OG1 THR A 47 -5.504 2.073 13.058 1.00 32.53 O ATOM 699 CG2 THR A 47 -6.559 3.150 14.945 1.00 72.15 C ATOM 0 H THR A 47 -8.116 2.984 12.028 1.00 75.02 H new ATOM 0 HA THR A 47 -6.552 5.261 13.030 1.00 23.32 H new ATOM 0 HB THR A 47 -4.837 3.845 13.892 1.00 61.54 H new ATOM 0 HG1 THR A 47 -5.575 2.147 12.083 1.00 32.53 H new ATOM 0 HG21 THR A 47 -5.986 2.521 15.626 1.00 72.15 H new ATOM 0 HG22 THR A 47 -6.740 4.118 15.412 1.00 72.15 H new ATOM 0 HG23 THR A 47 -7.512 2.670 14.723 1.00 72.15 H new ATOM 707 N PRO A 48 -5.285 5.301 10.890 1.00 43.01 N ATOM 708 CA PRO A 48 -4.591 5.403 9.602 1.00 34.53 C ATOM 709 C PRO A 48 -3.301 4.590 9.573 1.00 75.12 C ATOM 710 O PRO A 48 -3.038 3.794 10.474 1.00 64.41 O ATOM 711 CB PRO A 48 -4.285 6.897 9.482 1.00 44.35 C ATOM 712 CG PRO A 48 -4.239 7.389 10.887 1.00 44.30 C ATOM 713 CD PRO A 48 -5.238 6.563 11.648 1.00 23.51 C ATOM 0 HA PRO A 48 -5.192 5.010 8.782 1.00 34.53 H new ATOM 0 HB2 PRO A 48 -3.337 7.067 8.972 1.00 44.35 H new ATOM 0 HB3 PRO A 48 -5.053 7.413 8.907 1.00 44.35 H new ATOM 0 HG2 PRO A 48 -3.239 7.277 11.307 1.00 44.30 H new ATOM 0 HG3 PRO A 48 -4.489 8.449 10.938 1.00 44.30 H new ATOM 0 HD2 PRO A 48 -4.923 6.401 12.679 1.00 23.51 H new ATOM 0 HD3 PRO A 48 -6.214 7.046 11.685 1.00 23.51 H new ATOM 721 N ASP A 49 -2.502 4.796 8.533 1.00 45.34 N ATOM 722 CA ASP A 49 -1.238 4.084 8.387 1.00 64.53 C ATOM 723 C ASP A 49 -0.068 4.956 8.831 1.00 24.42 C ATOM 724 O ASP A 49 1.087 4.532 8.789 1.00 65.31 O ATOM 725 CB ASP A 49 -1.040 3.644 6.935 1.00 1.31 C ATOM 726 CG ASP A 49 -0.884 2.142 6.801 1.00 43.32 C ATOM 727 OD1 ASP A 49 -0.322 1.520 7.726 1.00 64.33 O ATOM 728 OD2 ASP A 49 -1.323 1.589 5.770 1.00 0.55 O ATOM 0 H ASP A 49 -2.707 5.450 7.778 1.00 45.34 H new ATOM 0 HA ASP A 49 -1.272 3.201 9.025 1.00 64.53 H new ATOM 0 HB2 ASP A 49 -1.892 3.972 6.340 1.00 1.31 H new ATOM 0 HB3 ASP A 49 -0.157 4.136 6.527 1.00 1.31 H new ATOM 733 N VAL A 50 -0.374 6.177 9.256 1.00 15.15 N ATOM 734 CA VAL A 50 0.651 7.109 9.709 1.00 43.32 C ATOM 735 C VAL A 50 0.032 8.414 10.196 1.00 14.14 C ATOM 736 O VAL A 50 -0.998 8.855 9.683 1.00 4.42 O ATOM 737 CB VAL A 50 1.661 7.421 8.588 1.00 75.43 C ATOM 738 CG1 VAL A 50 0.953 8.028 7.386 1.00 62.23 C ATOM 739 CG2 VAL A 50 2.754 8.347 9.098 1.00 53.42 C ATOM 0 H VAL A 50 -1.325 6.544 9.296 1.00 15.15 H new ATOM 0 HA VAL A 50 1.173 6.627 10.536 1.00 43.32 H new ATOM 0 HB VAL A 50 2.127 6.488 8.272 1.00 75.43 H new ATOM 0 HG11 VAL A 50 1.682 8.242 6.604 1.00 62.23 H new ATOM 0 HG12 VAL A 50 0.211 7.325 7.008 1.00 62.23 H new ATOM 0 HG13 VAL A 50 0.458 8.953 7.684 1.00 62.23 H new ATOM 0 HG21 VAL A 50 3.458 8.557 8.293 1.00 53.42 H new ATOM 0 HG22 VAL A 50 2.309 9.280 9.443 1.00 53.42 H new ATOM 0 HG23 VAL A 50 3.280 7.869 9.925 1.00 53.42 H new ATOM 749 N LEU A 51 0.664 9.028 11.190 1.00 24.11 N ATOM 750 CA LEU A 51 0.176 10.284 11.748 1.00 52.20 C ATOM 751 C LEU A 51 1.258 10.970 12.576 1.00 31.42 C ATOM 752 O LEU A 51 2.081 10.309 13.211 1.00 61.42 O ATOM 753 CB LEU A 51 -1.062 10.034 12.612 1.00 42.45 C ATOM 754 CG LEU A 51 -1.540 11.216 13.456 1.00 35.32 C ATOM 755 CD1 LEU A 51 -3.051 11.173 13.627 1.00 70.51 C ATOM 756 CD2 LEU A 51 -0.849 11.217 14.811 1.00 5.45 C ATOM 0 H LEU A 51 1.516 8.676 11.626 1.00 24.11 H new ATOM 0 HA LEU A 51 -0.092 10.940 10.920 1.00 52.20 H new ATOM 0 HB2 LEU A 51 -1.879 9.725 11.960 1.00 42.45 H new ATOM 0 HB3 LEU A 51 -0.852 9.198 13.279 1.00 42.45 H new ATOM 0 HG LEU A 51 -1.279 12.138 12.936 1.00 35.32 H new ATOM 0 HD11 LEU A 51 -3.373 12.022 14.230 1.00 70.51 H new ATOM 0 HD12 LEU A 51 -3.529 11.221 12.649 1.00 70.51 H new ATOM 0 HD13 LEU A 51 -3.335 10.246 14.125 1.00 70.51 H new ATOM 0 HD21 LEU A 51 -1.201 12.065 15.398 1.00 5.45 H new ATOM 0 HD22 LEU A 51 -1.079 10.291 15.337 1.00 5.45 H new ATOM 0 HD23 LEU A 51 0.229 11.296 14.670 1.00 5.45 H new ATOM 768 N LEU A 52 1.250 12.298 12.567 1.00 32.14 N ATOM 769 CA LEU A 52 2.229 13.074 13.320 1.00 44.01 C ATOM 770 C LEU A 52 1.546 13.938 14.374 1.00 15.43 C ATOM 771 O LEU A 52 0.609 14.678 14.073 1.00 75.40 O ATOM 772 CB LEU A 52 3.047 13.955 12.374 1.00 51.13 C ATOM 773 CG LEU A 52 3.383 13.346 11.012 1.00 55.33 C ATOM 774 CD1 LEU A 52 2.362 13.775 9.969 1.00 13.12 C ATOM 775 CD2 LEU A 52 4.787 13.744 10.581 1.00 13.31 C ATOM 0 H LEU A 52 0.576 12.860 12.047 1.00 32.14 H new ATOM 0 HA LEU A 52 2.896 12.377 13.826 1.00 44.01 H new ATOM 0 HB2 LEU A 52 2.499 14.883 12.210 1.00 51.13 H new ATOM 0 HB3 LEU A 52 3.980 14.219 12.872 1.00 51.13 H new ATOM 0 HG LEU A 52 3.346 12.260 11.102 1.00 55.33 H new ATOM 0 HD11 LEU A 52 2.617 13.332 9.006 1.00 13.12 H new ATOM 0 HD12 LEU A 52 1.370 13.439 10.271 1.00 13.12 H new ATOM 0 HD13 LEU A 52 2.366 14.861 9.881 1.00 13.12 H new ATOM 0 HD21 LEU A 52 5.009 13.302 9.610 1.00 13.31 H new ATOM 0 HD22 LEU A 52 4.851 14.830 10.508 1.00 13.31 H new ATOM 0 HD23 LEU A 52 5.508 13.386 11.316 1.00 13.31 H new ATOM 787 N SER A 53 2.022 13.842 15.611 1.00 20.44 N ATOM 788 CA SER A 53 1.456 14.613 16.711 1.00 14.53 C ATOM 789 C SER A 53 2.440 15.675 17.193 1.00 32.14 C ATOM 790 O SER A 53 3.655 15.485 17.131 1.00 54.24 O ATOM 791 CB SER A 53 1.078 13.689 17.870 1.00 75.52 C ATOM 792 OG SER A 53 2.134 13.590 18.809 1.00 32.12 O ATOM 0 H SER A 53 2.799 13.237 15.877 1.00 20.44 H new ATOM 0 HA SER A 53 0.558 15.112 16.347 1.00 14.53 H new ATOM 0 HB2 SER A 53 0.183 14.067 18.364 1.00 75.52 H new ATOM 0 HB3 SER A 53 0.835 12.698 17.485 1.00 75.52 H new ATOM 0 HG SER A 53 1.867 12.995 19.541 1.00 32.12 H new ATOM 798 N ASP A 54 1.906 16.792 17.675 1.00 41.25 N ATOM 799 CA ASP A 54 2.736 17.885 18.169 1.00 71.22 C ATOM 800 C ASP A 54 2.634 18.001 19.686 1.00 14.24 C ATOM 801 O ASP A 54 1.634 17.600 20.283 1.00 21.14 O ATOM 802 CB ASP A 54 2.322 19.204 17.515 1.00 64.04 C ATOM 803 CG ASP A 54 0.841 19.488 17.670 1.00 62.22 C ATOM 804 OD1 ASP A 54 0.180 18.780 18.458 1.00 24.43 O ATOM 805 OD2 ASP A 54 0.343 20.419 17.003 1.00 20.23 O ATOM 0 H ASP A 54 0.902 16.964 17.734 1.00 41.25 H new ATOM 0 HA ASP A 54 3.772 17.669 17.908 1.00 71.22 H new ATOM 0 HB2 ASP A 54 2.894 20.020 17.957 1.00 64.04 H new ATOM 0 HB3 ASP A 54 2.574 19.175 16.455 1.00 64.04 H new ATOM 810 N ILE A 55 3.673 18.551 20.304 1.00 45.51 N ATOM 811 CA ILE A 55 3.700 18.720 21.751 1.00 10.35 C ATOM 812 C ILE A 55 3.163 20.089 22.155 1.00 4.42 C ATOM 813 O ILE A 55 2.122 20.193 22.804 1.00 61.41 O ATOM 814 CB ILE A 55 5.125 18.554 22.312 1.00 40.44 C ATOM 815 CG1 ILE A 55 5.930 17.589 21.439 1.00 2.21 C ATOM 816 CG2 ILE A 55 5.075 18.061 23.750 1.00 73.43 C ATOM 817 CD1 ILE A 55 5.268 16.241 21.259 1.00 11.23 C ATOM 0 H ILE A 55 4.508 18.888 19.825 1.00 45.51 H new ATOM 0 HA ILE A 55 3.061 17.943 22.171 1.00 10.35 H new ATOM 0 HB ILE A 55 5.620 19.525 22.300 1.00 40.44 H new ATOM 0 HG12 ILE A 55 6.086 18.042 20.460 1.00 2.21 H new ATOM 0 HG13 ILE A 55 6.915 17.445 21.884 1.00 2.21 H new ATOM 0 HG21 ILE A 55 6.090 17.949 24.132 1.00 73.43 H new ATOM 0 HG22 ILE A 55 4.534 18.782 24.363 1.00 73.43 H new ATOM 0 HG23 ILE A 55 4.565 17.098 23.787 1.00 73.43 H new ATOM 0 HD11 ILE A 55 5.895 15.609 20.629 1.00 11.23 H new ATOM 0 HD12 ILE A 55 5.137 15.767 22.232 1.00 11.23 H new ATOM 0 HD13 ILE A 55 4.295 16.374 20.786 1.00 11.23 H new ATOM 829 N ARG A 56 3.880 21.138 21.766 1.00 44.35 N ATOM 830 CA ARG A 56 3.476 22.502 22.086 1.00 20.22 C ATOM 831 C ARG A 56 2.117 22.824 21.473 1.00 53.34 C ATOM 832 O ARG A 56 2.026 23.205 20.306 1.00 60.32 O ATOM 833 CB ARG A 56 4.523 23.498 21.585 1.00 41.20 C ATOM 834 CG ARG A 56 4.610 24.764 22.423 1.00 73.45 C ATOM 835 CD ARG A 56 3.669 25.840 21.905 1.00 74.04 C ATOM 836 NE ARG A 56 3.588 26.980 22.814 1.00 74.02 N ATOM 837 CZ ARG A 56 2.913 28.091 22.541 1.00 42.33 C ATOM 838 NH1 ARG A 56 2.264 28.211 21.391 1.00 43.33 N ATOM 839 NH2 ARG A 56 2.886 29.085 23.419 1.00 4.42 N ATOM 0 H ARG A 56 4.744 21.070 21.228 1.00 44.35 H new ATOM 0 HA ARG A 56 3.395 22.586 23.170 1.00 20.22 H new ATOM 0 HB2 ARG A 56 5.499 23.012 21.574 1.00 41.20 H new ATOM 0 HB3 ARG A 56 4.291 23.769 20.555 1.00 41.20 H new ATOM 0 HG2 ARG A 56 4.365 24.533 23.460 1.00 73.45 H new ATOM 0 HG3 ARG A 56 5.634 25.139 22.413 1.00 73.45 H new ATOM 0 HD2 ARG A 56 4.010 26.180 20.927 1.00 74.04 H new ATOM 0 HD3 ARG A 56 2.675 25.416 21.766 1.00 74.04 H new ATOM 0 HE ARG A 56 4.076 26.920 23.707 1.00 74.02 H new ATOM 0 HH11 ARG A 56 2.282 27.449 20.713 1.00 43.33 H new ATOM 0 HH12 ARG A 56 1.747 29.065 21.184 1.00 43.33 H new ATOM 0 HH21 ARG A 56 3.384 28.997 24.305 1.00 4.42 H new ATOM 0 HH22 ARG A 56 2.367 29.938 23.208 1.00 4.42 H new ATOM 853 N MET A 57 1.063 22.669 22.267 1.00 33.12 N ATOM 854 CA MET A 57 -0.292 22.944 21.802 1.00 3.30 C ATOM 855 C MET A 57 -1.178 23.408 22.953 1.00 12.15 C ATOM 856 O MET A 57 -0.951 23.075 24.117 1.00 60.44 O ATOM 857 CB MET A 57 -0.893 21.698 21.150 1.00 72.11 C ATOM 858 CG MET A 57 -0.749 21.674 19.637 1.00 52.12 C ATOM 859 SD MET A 57 -2.116 20.826 18.822 1.00 31.03 S ATOM 860 CE MET A 57 -2.284 19.377 19.862 1.00 4.43 C ATOM 0 H MET A 57 1.121 22.354 23.236 1.00 33.12 H new ATOM 0 HA MET A 57 -0.240 23.743 21.062 1.00 3.30 H new ATOM 0 HB2 MET A 57 -0.413 20.813 21.566 1.00 72.11 H new ATOM 0 HB3 MET A 57 -1.951 21.638 21.407 1.00 72.11 H new ATOM 0 HG2 MET A 57 -0.688 22.697 19.266 1.00 52.12 H new ATOM 0 HG3 MET A 57 0.187 21.183 19.373 1.00 52.12 H new ATOM 0 HE1 MET A 57 -2.482 18.504 19.240 1.00 4.43 H new ATOM 0 HE2 MET A 57 -1.362 19.222 20.422 1.00 4.43 H new ATOM 0 HE3 MET A 57 -3.111 19.522 20.557 1.00 4.43 H new ATOM 870 N PRO A 58 -2.213 24.196 22.625 1.00 62.12 N ATOM 871 CA PRO A 58 -3.154 24.722 23.618 1.00 30.10 C ATOM 872 C PRO A 58 -4.044 23.633 24.207 1.00 20.30 C ATOM 873 O PRO A 58 -4.286 23.600 25.413 1.00 64.41 O ATOM 874 CB PRO A 58 -3.992 25.722 22.818 1.00 42.32 C ATOM 875 CG PRO A 58 -3.910 25.244 21.409 1.00 4.13 C ATOM 876 CD PRO A 58 -2.544 24.633 21.258 1.00 2.53 C ATOM 0 HA PRO A 58 -2.640 25.163 24.473 1.00 30.10 H new ATOM 0 HB2 PRO A 58 -5.024 25.744 23.169 1.00 42.32 H new ATOM 0 HB3 PRO A 58 -3.600 26.734 22.916 1.00 42.32 H new ATOM 0 HG2 PRO A 58 -4.690 24.512 21.199 1.00 4.13 H new ATOM 0 HG3 PRO A 58 -4.049 26.068 20.709 1.00 4.13 H new ATOM 0 HD2 PRO A 58 -2.553 23.796 20.560 1.00 2.53 H new ATOM 0 HD3 PRO A 58 -1.820 25.355 20.881 1.00 2.53 H new ATOM 884 N GLY A 59 -4.529 22.742 23.347 1.00 30.34 N ATOM 885 CA GLY A 59 -5.387 21.663 23.802 1.00 23.01 C ATOM 886 C GLY A 59 -4.782 20.889 24.957 1.00 70.25 C ATOM 887 O GLY A 59 -5.027 21.205 26.120 1.00 1.03 O ATOM 0 H GLY A 59 -4.343 22.748 22.344 1.00 30.34 H new ATOM 0 HA2 GLY A 59 -6.350 22.073 24.108 1.00 23.01 H new ATOM 0 HA3 GLY A 59 -5.579 20.982 22.973 1.00 23.01 H new ATOM 891 N MET A 60 -3.991 19.871 24.634 1.00 31.53 N ATOM 892 CA MET A 60 -3.350 19.049 25.654 1.00 33.44 C ATOM 893 C MET A 60 -1.846 18.962 25.417 1.00 70.13 C ATOM 894 O MET A 60 -1.066 19.670 26.054 1.00 63.32 O ATOM 895 CB MET A 60 -3.958 17.645 25.665 1.00 75.11 C ATOM 896 CG MET A 60 -5.412 17.616 26.108 1.00 31.35 C ATOM 897 SD MET A 60 -6.560 17.891 24.745 1.00 2.44 S ATOM 898 CE MET A 60 -6.194 16.480 23.704 1.00 13.44 C ATOM 0 H MET A 60 -3.779 19.596 23.675 1.00 31.53 H new ATOM 0 HA MET A 60 -3.521 19.519 26.623 1.00 33.44 H new ATOM 0 HB2 MET A 60 -3.883 17.217 24.665 1.00 75.11 H new ATOM 0 HB3 MET A 60 -3.372 17.009 26.328 1.00 75.11 H new ATOM 0 HG2 MET A 60 -5.628 16.653 26.571 1.00 31.35 H new ATOM 0 HG3 MET A 60 -5.571 18.378 26.871 1.00 31.35 H new ATOM 0 HE1 MET A 60 -5.853 16.826 22.728 1.00 13.44 H new ATOM 0 HE2 MET A 60 -5.413 15.878 24.169 1.00 13.44 H new ATOM 0 HE3 MET A 60 -7.093 15.876 23.581 1.00 13.44 H new ATOM 908 N ASP A 61 -1.446 18.091 24.497 1.00 32.42 N ATOM 909 CA ASP A 61 -0.035 17.912 24.175 1.00 11.21 C ATOM 910 C ASP A 61 0.155 16.775 23.176 1.00 32.14 C ATOM 911 O ASP A 61 -0.810 16.272 22.602 1.00 20.33 O ATOM 912 CB ASP A 61 0.768 17.631 25.446 1.00 44.21 C ATOM 913 CG ASP A 61 1.916 18.604 25.632 1.00 11.23 C ATOM 914 OD1 ASP A 61 1.705 19.818 25.423 1.00 23.54 O ATOM 915 OD2 ASP A 61 3.024 18.153 25.988 1.00 22.41 O ATOM 0 H ASP A 61 -2.079 17.498 23.961 1.00 32.42 H new ATOM 0 HA ASP A 61 0.329 18.834 23.721 1.00 11.21 H new ATOM 0 HB2 ASP A 61 0.106 17.685 26.310 1.00 44.21 H new ATOM 0 HB3 ASP A 61 1.160 16.614 25.408 1.00 44.21 H new ATOM 920 N GLY A 62 1.407 16.375 22.973 1.00 14.02 N ATOM 921 CA GLY A 62 1.700 15.301 22.043 1.00 64.05 C ATOM 922 C GLY A 62 1.854 13.961 22.734 1.00 74.43 C ATOM 923 O GLY A 62 1.816 12.913 22.088 1.00 73.53 O ATOM 0 H GLY A 62 2.223 16.776 23.436 1.00 14.02 H new ATOM 0 HA2 GLY A 62 0.901 15.236 21.305 1.00 64.05 H new ATOM 0 HA3 GLY A 62 2.616 15.534 21.501 1.00 64.05 H new ATOM 927 N LEU A 63 2.029 13.992 24.050 1.00 12.41 N ATOM 928 CA LEU A 63 2.190 12.770 24.830 1.00 3.22 C ATOM 929 C LEU A 63 0.835 12.189 25.219 1.00 54.30 C ATOM 930 O LEU A 63 0.713 10.993 25.481 1.00 11.11 O ATOM 931 CB LEU A 63 3.018 13.049 26.086 1.00 13.02 C ATOM 932 CG LEU A 63 4.515 13.270 25.868 1.00 30.33 C ATOM 933 CD1 LEU A 63 5.150 13.882 27.107 1.00 1.10 C ATOM 934 CD2 LEU A 63 5.200 11.960 25.508 1.00 62.33 C ATOM 0 H LEU A 63 2.063 14.850 24.600 1.00 12.41 H new ATOM 0 HA LEU A 63 2.713 12.040 24.212 1.00 3.22 H new ATOM 0 HB2 LEU A 63 2.609 13.931 26.578 1.00 13.02 H new ATOM 0 HB3 LEU A 63 2.891 12.213 26.774 1.00 13.02 H new ATOM 0 HG LEU A 63 4.643 13.965 25.038 1.00 30.33 H new ATOM 0 HD11 LEU A 63 6.216 14.032 26.933 1.00 1.10 H new ATOM 0 HD12 LEU A 63 4.679 14.841 27.321 1.00 1.10 H new ATOM 0 HD13 LEU A 63 5.012 13.212 27.956 1.00 1.10 H new ATOM 0 HD21 LEU A 63 6.265 12.136 25.356 1.00 62.33 H new ATOM 0 HD22 LEU A 63 5.062 11.243 26.317 1.00 62.33 H new ATOM 0 HD23 LEU A 63 4.764 11.561 24.592 1.00 62.33 H new ATOM 946 N ALA A 64 -0.182 13.044 25.252 1.00 13.41 N ATOM 947 CA ALA A 64 -1.530 12.615 25.604 1.00 10.33 C ATOM 948 C ALA A 64 -2.163 11.810 24.475 1.00 64.43 C ATOM 949 O ALA A 64 -2.867 10.829 24.717 1.00 75.02 O ATOM 950 CB ALA A 64 -2.395 13.820 25.945 1.00 72.40 C ATOM 0 H ALA A 64 -0.098 14.038 25.039 1.00 13.41 H new ATOM 0 HA ALA A 64 -1.462 11.970 26.480 1.00 10.33 H new ATOM 0 HB1 ALA A 64 -3.399 13.485 26.206 1.00 72.40 H new ATOM 0 HB2 ALA A 64 -1.959 14.353 26.790 1.00 72.40 H new ATOM 0 HB3 ALA A 64 -2.447 14.486 25.084 1.00 72.40 H new ATOM 956 N LEU A 65 -1.907 12.229 23.240 1.00 14.24 N ATOM 957 CA LEU A 65 -2.453 11.547 22.072 1.00 23.41 C ATOM 958 C LEU A 65 -1.560 10.381 21.657 1.00 55.35 C ATOM 959 O LEU A 65 -2.048 9.329 21.243 1.00 73.33 O ATOM 960 CB LEU A 65 -2.605 12.528 20.908 1.00 24.24 C ATOM 961 CG LEU A 65 -3.460 12.049 19.734 1.00 3.55 C ATOM 962 CD1 LEU A 65 -4.936 12.090 20.098 1.00 41.41 C ATOM 963 CD2 LEU A 65 -3.189 12.895 18.498 1.00 32.34 C ATOM 0 H LEU A 65 -1.325 13.038 23.022 1.00 14.24 H new ATOM 0 HA LEU A 65 -3.434 11.154 22.337 1.00 23.41 H new ATOM 0 HB2 LEU A 65 -3.036 13.453 21.292 1.00 24.24 H new ATOM 0 HB3 LEU A 65 -1.611 12.772 20.532 1.00 24.24 H new ATOM 0 HG LEU A 65 -3.191 11.017 19.509 1.00 3.55 H new ATOM 0 HD11 LEU A 65 -5.529 11.746 19.251 1.00 41.41 H new ATOM 0 HD12 LEU A 65 -5.117 11.442 20.955 1.00 41.41 H new ATOM 0 HD13 LEU A 65 -5.221 13.112 20.349 1.00 41.41 H new ATOM 0 HD21 LEU A 65 -3.806 12.540 17.672 1.00 32.34 H new ATOM 0 HD22 LEU A 65 -3.430 13.937 18.710 1.00 32.34 H new ATOM 0 HD23 LEU A 65 -2.137 12.815 18.226 1.00 32.34 H new ATOM 975 N LEU A 66 -0.251 10.575 21.771 1.00 13.33 N ATOM 976 CA LEU A 66 0.710 9.539 21.410 1.00 42.53 C ATOM 977 C LEU A 66 0.641 8.368 22.384 1.00 2.35 C ATOM 978 O LEU A 66 0.974 7.235 22.036 1.00 43.53 O ATOM 979 CB LEU A 66 2.127 10.116 21.387 1.00 13.42 C ATOM 980 CG LEU A 66 3.221 9.188 20.859 1.00 41.43 C ATOM 981 CD1 LEU A 66 3.028 8.927 19.373 1.00 35.42 C ATOM 982 CD2 LEU A 66 4.597 9.782 21.123 1.00 62.03 C ATOM 0 H LEU A 66 0.169 11.440 22.111 1.00 13.33 H new ATOM 0 HA LEU A 66 0.457 9.174 20.415 1.00 42.53 H new ATOM 0 HB2 LEU A 66 2.120 11.020 20.778 1.00 13.42 H new ATOM 0 HB3 LEU A 66 2.392 10.417 22.401 1.00 13.42 H new ATOM 0 HG LEU A 66 3.150 8.237 21.387 1.00 41.43 H new ATOM 0 HD11 LEU A 66 3.816 8.265 19.015 1.00 35.42 H new ATOM 0 HD12 LEU A 66 2.058 8.459 19.209 1.00 35.42 H new ATOM 0 HD13 LEU A 66 3.072 9.871 18.829 1.00 35.42 H new ATOM 0 HD21 LEU A 66 5.364 9.108 20.741 1.00 62.03 H new ATOM 0 HD22 LEU A 66 4.679 10.747 20.622 1.00 62.03 H new ATOM 0 HD23 LEU A 66 4.735 9.917 22.196 1.00 62.03 H new ATOM 994 N LYS A 67 0.205 8.648 23.608 1.00 54.33 N ATOM 995 CA LYS A 67 0.088 7.619 24.633 1.00 33.43 C ATOM 996 C LYS A 67 -1.094 6.698 24.348 1.00 74.13 C ATOM 997 O LYS A 67 -1.164 5.584 24.866 1.00 64.11 O ATOM 998 CB LYS A 67 -0.074 8.260 26.013 1.00 3.13 C ATOM 999 CG LYS A 67 -0.401 7.264 27.113 1.00 44.34 C ATOM 1000 CD LYS A 67 -0.255 7.887 28.491 1.00 51.32 C ATOM 1001 CE LYS A 67 -1.564 8.498 28.967 1.00 0.42 C ATOM 1002 NZ LYS A 67 -1.431 9.958 29.232 1.00 22.21 N ATOM 0 H LYS A 67 -0.073 9.580 23.914 1.00 54.33 H new ATOM 0 HA LYS A 67 1.001 7.024 24.620 1.00 33.43 H new ATOM 0 HB2 LYS A 67 0.846 8.784 26.271 1.00 3.13 H new ATOM 0 HB3 LYS A 67 -0.865 9.009 25.966 1.00 3.13 H new ATOM 0 HG2 LYS A 67 -1.420 6.899 26.984 1.00 44.34 H new ATOM 0 HG3 LYS A 67 0.259 6.401 27.031 1.00 44.34 H new ATOM 0 HD2 LYS A 67 0.074 7.129 29.202 1.00 51.32 H new ATOM 0 HD3 LYS A 67 0.518 8.655 28.464 1.00 51.32 H new ATOM 0 HE2 LYS A 67 -2.336 8.334 28.215 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -1.892 7.992 29.875 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -2.344 10.337 29.554 1.00 22.21 H new ATOM 0 HZ2 LYS A 67 -0.713 10.113 29.968 1.00 22.21 H new ATOM 0 HZ3 LYS A 67 -1.143 10.444 28.359 1.00 22.21 H new ATOM 1016 N GLN A 68 -2.020 7.171 23.520 1.00 74.23 N ATOM 1017 CA GLN A 68 -3.199 6.389 23.165 1.00 22.54 C ATOM 1018 C GLN A 68 -2.814 5.174 22.328 1.00 60.35 C ATOM 1019 O GLN A 68 -3.155 4.040 22.667 1.00 3.25 O ATOM 1020 CB GLN A 68 -4.200 7.255 22.399 1.00 34.45 C ATOM 1021 CG GLN A 68 -5.541 7.400 23.102 1.00 43.21 C ATOM 1022 CD GLN A 68 -6.715 7.202 22.164 1.00 34.24 C ATOM 1023 OE1 GLN A 68 -6.643 7.811 20.987 1.00 70.42 O flip ATOM 1024 NE2 GLN A 68 -7.678 6.509 22.495 1.00 41.12 N flip ATOM 0 H GLN A 68 -1.977 8.091 23.083 1.00 74.23 H new ATOM 0 HA GLN A 68 -3.663 6.040 24.087 1.00 22.54 H new ATOM 0 HB2 GLN A 68 -3.770 8.245 22.247 1.00 34.45 H new ATOM 0 HB3 GLN A 68 -4.361 6.822 21.412 1.00 34.45 H new ATOM 0 HG2 GLN A 68 -5.602 6.674 23.913 1.00 43.21 H new ATOM 0 HG3 GLN A 68 -5.605 8.390 23.554 1.00 43.21 H new ATOM 0 HE21 GLN A 68 -7.692 6.059 23.410 1.00 41.12 H new ATOM 0 HE22 GLN A 68 -8.462 6.385 21.854 1.00 41.12 H new ATOM 1033 N ILE A 69 -2.103 5.418 21.232 1.00 72.01 N ATOM 1034 CA ILE A 69 -1.672 4.344 20.346 1.00 21.54 C ATOM 1035 C ILE A 69 -0.859 3.299 21.104 1.00 13.23 C ATOM 1036 O ILE A 69 -0.749 2.151 20.675 1.00 21.52 O ATOM 1037 CB ILE A 69 -0.829 4.883 19.176 1.00 61.03 C ATOM 1038 CG1 ILE A 69 0.377 5.663 19.704 1.00 71.11 C ATOM 1039 CG2 ILE A 69 -1.680 5.761 18.271 1.00 41.50 C ATOM 1040 CD1 ILE A 69 1.495 5.802 18.695 1.00 3.40 C ATOM 0 H ILE A 69 -1.813 6.350 20.937 1.00 72.01 H new ATOM 0 HA ILE A 69 -2.575 3.881 19.949 1.00 21.54 H new ATOM 0 HB ILE A 69 -0.464 4.039 18.591 1.00 61.03 H new ATOM 0 HG12 ILE A 69 0.051 6.656 20.012 1.00 71.11 H new ATOM 0 HG13 ILE A 69 0.761 5.164 20.594 1.00 71.11 H new ATOM 0 HG21 ILE A 69 -1.070 6.135 17.448 1.00 41.50 H new ATOM 0 HG22 ILE A 69 -2.509 5.176 17.872 1.00 41.50 H new ATOM 0 HG23 ILE A 69 -2.072 6.602 18.843 1.00 41.50 H new ATOM 0 HD11 ILE A 69 2.316 6.366 19.137 1.00 3.40 H new ATOM 0 HD12 ILE A 69 1.849 4.813 18.405 1.00 3.40 H new ATOM 0 HD13 ILE A 69 1.127 6.328 17.814 1.00 3.40 H new ATOM 1052 N LYS A 70 -0.293 3.705 22.236 1.00 41.24 N ATOM 1053 CA LYS A 70 0.508 2.805 23.057 1.00 35.01 C ATOM 1054 C LYS A 70 -0.316 1.603 23.508 1.00 70.20 C ATOM 1055 O LYS A 70 0.040 0.457 23.233 1.00 43.50 O ATOM 1056 CB LYS A 70 1.056 3.547 24.278 1.00 42.43 C ATOM 1057 CG LYS A 70 2.564 3.441 24.427 1.00 10.30 C ATOM 1058 CD LYS A 70 2.950 2.390 25.454 1.00 61.34 C ATOM 1059 CE LYS A 70 4.328 2.661 26.038 1.00 70.41 C ATOM 1060 NZ LYS A 70 4.274 3.648 27.151 1.00 31.25 N ATOM 0 H LYS A 70 -0.375 4.652 22.606 1.00 41.24 H new ATOM 0 HA LYS A 70 1.341 2.447 22.453 1.00 35.01 H new ATOM 0 HB2 LYS A 70 0.779 4.599 24.208 1.00 42.43 H new ATOM 0 HB3 LYS A 70 0.582 3.152 25.176 1.00 42.43 H new ATOM 0 HG2 LYS A 70 3.009 3.191 23.464 1.00 10.30 H new ATOM 0 HG3 LYS A 70 2.970 4.408 24.724 1.00 10.30 H new ATOM 0 HD2 LYS A 70 2.211 2.374 26.255 1.00 61.34 H new ATOM 0 HD3 LYS A 70 2.938 1.404 24.989 1.00 61.34 H new ATOM 0 HE2 LYS A 70 4.759 1.728 26.401 1.00 70.41 H new ATOM 0 HE3 LYS A 70 4.988 3.033 25.254 1.00 70.41 H new ATOM 0 HZ1 LYS A 70 5.233 3.806 27.522 1.00 31.25 H new ATOM 0 HZ2 LYS A 70 3.887 4.547 26.799 1.00 31.25 H new ATOM 0 HZ3 LYS A 70 3.665 3.282 27.910 1.00 31.25 H new ATOM 1074 N GLN A 71 -1.418 1.872 24.200 1.00 53.40 N ATOM 1075 CA GLN A 71 -2.292 0.812 24.687 1.00 31.25 C ATOM 1076 C GLN A 71 -3.358 0.465 23.653 1.00 45.44 C ATOM 1077 O GLN A 71 -3.982 -0.593 23.721 1.00 61.42 O ATOM 1078 CB GLN A 71 -2.956 1.232 26.000 1.00 54.23 C ATOM 1079 CG GLN A 71 -2.246 0.707 27.237 1.00 42.42 C ATOM 1080 CD GLN A 71 -2.759 -0.651 27.672 1.00 23.13 C ATOM 1081 OE1 GLN A 71 -1.998 -1.615 27.762 1.00 70.34 O ATOM 1082 NE2 GLN A 71 -4.055 -0.735 27.946 1.00 13.45 N ATOM 0 H GLN A 71 -1.727 2.815 24.436 1.00 53.40 H new ATOM 0 HA GLN A 71 -1.682 -0.074 24.863 1.00 31.25 H new ATOM 0 HB2 GLN A 71 -2.992 2.320 26.047 1.00 54.23 H new ATOM 0 HB3 GLN A 71 -3.987 0.878 26.005 1.00 54.23 H new ATOM 0 HG2 GLN A 71 -1.177 0.640 27.037 1.00 42.42 H new ATOM 0 HG3 GLN A 71 -2.373 1.418 28.053 1.00 42.42 H new ATOM 0 HE21 GLN A 71 -4.649 0.089 27.858 1.00 13.45 H new ATOM 0 HE22 GLN A 71 -4.457 -1.624 28.245 1.00 13.45 H new ATOM 1091 N ARG A 72 -3.560 1.365 22.695 1.00 32.24 N ATOM 1092 CA ARG A 72 -4.551 1.155 21.647 1.00 34.22 C ATOM 1093 C ARG A 72 -3.995 0.259 20.544 1.00 1.03 C ATOM 1094 O ARG A 72 -4.516 -0.828 20.291 1.00 44.33 O ATOM 1095 CB ARG A 72 -4.992 2.495 21.056 1.00 1.43 C ATOM 1096 CG ARG A 72 -5.869 3.314 21.990 1.00 60.42 C ATOM 1097 CD ARG A 72 -7.265 2.722 22.104 1.00 71.31 C ATOM 1098 NE ARG A 72 -7.679 2.559 23.495 1.00 1.41 N ATOM 1099 CZ ARG A 72 -8.839 2.024 23.859 1.00 0.51 C ATOM 1100 NH1 ARG A 72 -9.696 1.602 22.940 1.00 44.14 N ATOM 1101 NH2 ARG A 72 -9.144 1.911 25.146 1.00 61.35 N ATOM 0 H ARG A 72 -3.051 2.246 22.624 1.00 32.24 H new ATOM 0 HA ARG A 72 -5.414 0.661 22.093 1.00 34.22 H new ATOM 0 HB2 ARG A 72 -4.107 3.077 20.798 1.00 1.43 H new ATOM 0 HB3 ARG A 72 -5.535 2.312 20.129 1.00 1.43 H new ATOM 0 HG2 ARG A 72 -5.409 3.358 22.977 1.00 60.42 H new ATOM 0 HG3 ARG A 72 -5.936 4.338 21.624 1.00 60.42 H new ATOM 0 HD2 ARG A 72 -7.976 3.367 21.588 1.00 71.31 H new ATOM 0 HD3 ARG A 72 -7.290 1.755 21.603 1.00 71.31 H new ATOM 0 HE ARG A 72 -7.042 2.873 24.227 1.00 1.41 H new ATOM 0 HH11 ARG A 72 -9.465 1.688 21.950 1.00 44.14 H new ATOM 0 HH12 ARG A 72 -10.586 1.192 23.223 1.00 44.14 H new ATOM 0 HH21 ARG A 72 -8.487 2.235 25.856 1.00 61.35 H new ATOM 0 HH22 ARG A 72 -10.035 1.500 25.425 1.00 61.35 H new ATOM 1115 N HIS A 73 -2.934 0.723 19.891 1.00 20.32 N ATOM 1116 CA HIS A 73 -2.307 -0.036 18.815 1.00 25.44 C ATOM 1117 C HIS A 73 -0.845 0.368 18.646 1.00 52.04 C ATOM 1118 O HIS A 73 -0.487 1.128 17.745 1.00 24.44 O ATOM 1119 CB HIS A 73 -3.063 0.177 17.504 1.00 44.33 C ATOM 1120 CG HIS A 73 -3.471 1.599 17.273 1.00 55.51 C ATOM 1121 ND1 HIS A 73 -2.700 2.499 16.568 1.00 11.42 N ATOM 1122 CD2 HIS A 73 -4.580 2.276 17.657 1.00 65.43 C ATOM 1123 CE1 HIS A 73 -3.315 3.668 16.530 1.00 72.10 C ATOM 1124 NE2 HIS A 73 -4.458 3.559 17.183 1.00 72.32 N ATOM 0 H HIS A 73 -2.491 1.620 20.088 1.00 20.32 H new ATOM 0 HA HIS A 73 -2.345 -1.093 19.079 1.00 25.44 H new ATOM 0 HB2 HIS A 73 -2.436 -0.152 16.675 1.00 44.33 H new ATOM 0 HB3 HIS A 73 -3.953 -0.453 17.501 1.00 44.33 H new ATOM 0 HD2 HIS A 73 -5.406 1.880 18.229 1.00 65.43 H new ATOM 0 HE1 HIS A 73 -2.946 4.561 16.047 1.00 72.10 H new ATOM 0 HE2 HIS A 73 -5.139 4.307 17.314 1.00 72.32 H new ATOM 1132 N PRO A 74 0.019 -0.150 19.531 1.00 44.32 N ATOM 1133 CA PRO A 74 1.455 0.144 19.500 1.00 62.04 C ATOM 1134 C PRO A 74 2.151 -0.491 18.301 1.00 71.44 C ATOM 1135 O PRO A 74 3.341 -0.273 18.074 1.00 33.34 O ATOM 1136 CB PRO A 74 1.971 -0.469 20.804 1.00 61.11 C ATOM 1137 CG PRO A 74 0.995 -1.547 21.128 1.00 63.34 C ATOM 1138 CD PRO A 74 -0.338 -1.062 20.630 1.00 72.00 C ATOM 0 HA PRO A 74 1.650 1.212 19.409 1.00 62.04 H new ATOM 0 HB2 PRO A 74 2.977 -0.870 20.682 1.00 61.11 H new ATOM 0 HB3 PRO A 74 2.018 0.275 21.600 1.00 61.11 H new ATOM 0 HG2 PRO A 74 1.274 -2.484 20.646 1.00 63.34 H new ATOM 0 HG3 PRO A 74 0.965 -1.737 22.201 1.00 63.34 H new ATOM 0 HD2 PRO A 74 -0.961 -1.886 20.282 1.00 72.00 H new ATOM 0 HD3 PRO A 74 -0.897 -0.549 21.413 1.00 72.00 H new ATOM 1146 N MET A 75 1.401 -1.278 17.535 1.00 11.44 N ATOM 1147 CA MET A 75 1.946 -1.943 16.358 1.00 25.20 C ATOM 1148 C MET A 75 1.734 -1.096 15.107 1.00 2.04 C ATOM 1149 O MET A 75 1.771 -1.605 13.986 1.00 24.45 O ATOM 1150 CB MET A 75 1.296 -3.316 16.175 1.00 44.13 C ATOM 1151 CG MET A 75 2.243 -4.476 16.434 1.00 23.33 C ATOM 1152 SD MET A 75 3.326 -4.816 15.033 1.00 2.11 S ATOM 1153 CE MET A 75 2.167 -5.545 13.879 1.00 62.34 C ATOM 0 H MET A 75 0.414 -1.470 17.709 1.00 11.44 H new ATOM 0 HA MET A 75 3.018 -2.073 16.509 1.00 25.20 H new ATOM 0 HB2 MET A 75 0.442 -3.397 16.848 1.00 44.13 H new ATOM 0 HB3 MET A 75 0.909 -3.393 15.159 1.00 44.13 H new ATOM 0 HG2 MET A 75 2.850 -4.255 17.312 1.00 23.33 H new ATOM 0 HG3 MET A 75 1.662 -5.369 16.664 1.00 23.33 H new ATOM 0 HE1 MET A 75 2.712 -6.122 13.131 1.00 62.34 H new ATOM 0 HE2 MET A 75 1.483 -6.202 14.416 1.00 62.34 H new ATOM 0 HE3 MET A 75 1.600 -4.756 13.386 1.00 62.34 H new ATOM 1163 N LEU A 76 1.511 0.198 15.306 1.00 5.50 N ATOM 1164 CA LEU A 76 1.293 1.117 14.194 1.00 71.33 C ATOM 1165 C LEU A 76 2.424 2.136 14.099 1.00 54.20 C ATOM 1166 O LEU A 76 2.871 2.698 15.099 1.00 52.42 O ATOM 1167 CB LEU A 76 -0.046 1.837 14.357 1.00 15.31 C ATOM 1168 CG LEU A 76 -0.875 2.011 13.084 1.00 71.33 C ATOM 1169 CD1 LEU A 76 -2.360 1.900 13.394 1.00 42.31 C ATOM 1170 CD2 LEU A 76 -0.564 3.346 12.423 1.00 72.31 C ATOM 0 H LEU A 76 1.476 0.635 16.227 1.00 5.50 H new ATOM 0 HA LEU A 76 1.276 0.535 13.272 1.00 71.33 H new ATOM 0 HB2 LEU A 76 -0.645 1.288 15.084 1.00 15.31 H new ATOM 0 HB3 LEU A 76 0.144 2.823 14.780 1.00 15.31 H new ATOM 0 HG LEU A 76 -0.610 1.214 12.389 1.00 71.33 H new ATOM 0 HD11 LEU A 76 -2.934 2.026 12.476 1.00 42.31 H new ATOM 0 HD12 LEU A 76 -2.570 0.919 13.821 1.00 42.31 H new ATOM 0 HD13 LEU A 76 -2.642 2.674 14.107 1.00 42.31 H new ATOM 0 HD21 LEU A 76 -1.163 3.453 11.519 1.00 72.31 H new ATOM 0 HD22 LEU A 76 -0.800 4.157 13.112 1.00 72.31 H new ATOM 0 HD23 LEU A 76 0.494 3.386 12.164 1.00 72.31 H new ATOM 1182 N PRO A 77 2.897 2.383 12.868 1.00 15.04 N ATOM 1183 CA PRO A 77 3.979 3.338 12.613 1.00 10.12 C ATOM 1184 C PRO A 77 3.544 4.782 12.842 1.00 24.41 C ATOM 1185 O PRO A 77 2.594 5.260 12.223 1.00 42.14 O ATOM 1186 CB PRO A 77 4.314 3.108 11.137 1.00 3.24 C ATOM 1187 CG PRO A 77 3.062 2.560 10.545 1.00 12.43 C ATOM 1188 CD PRO A 77 2.411 1.749 11.631 1.00 14.22 C ATOM 0 HA PRO A 77 4.824 3.186 13.285 1.00 10.12 H new ATOM 0 HB2 PRO A 77 4.609 4.037 10.649 1.00 3.24 H new ATOM 0 HB3 PRO A 77 5.144 2.410 11.023 1.00 3.24 H new ATOM 0 HG2 PRO A 77 2.405 3.363 10.210 1.00 12.43 H new ATOM 0 HG3 PRO A 77 3.280 1.942 9.674 1.00 12.43 H new ATOM 0 HD2 PRO A 77 1.324 1.784 11.562 1.00 14.22 H new ATOM 0 HD3 PRO A 77 2.700 0.699 11.577 1.00 14.22 H new ATOM 1196 N VAL A 78 4.246 5.472 13.736 1.00 63.45 N ATOM 1197 CA VAL A 78 3.934 6.862 14.045 1.00 73.30 C ATOM 1198 C VAL A 78 5.187 7.729 14.003 1.00 53.20 C ATOM 1199 O VAL A 78 6.286 7.264 14.305 1.00 1.10 O ATOM 1200 CB VAL A 78 3.277 6.994 15.432 1.00 23.00 C ATOM 1201 CG1 VAL A 78 2.820 8.425 15.672 1.00 33.42 C ATOM 1202 CG2 VAL A 78 2.113 6.024 15.565 1.00 61.23 C ATOM 0 H VAL A 78 5.034 5.091 14.259 1.00 63.45 H new ATOM 0 HA VAL A 78 3.233 7.206 13.285 1.00 73.30 H new ATOM 0 HB VAL A 78 4.018 6.742 16.191 1.00 23.00 H new ATOM 0 HG11 VAL A 78 2.358 8.499 16.657 1.00 33.42 H new ATOM 0 HG12 VAL A 78 3.679 9.094 15.623 1.00 33.42 H new ATOM 0 HG13 VAL A 78 2.095 8.708 14.909 1.00 33.42 H new ATOM 0 HG21 VAL A 78 1.661 6.131 16.551 1.00 61.23 H new ATOM 0 HG22 VAL A 78 1.369 6.242 14.799 1.00 61.23 H new ATOM 0 HG23 VAL A 78 2.474 5.003 15.440 1.00 61.23 H new ATOM 1212 N ILE A 79 5.013 8.992 13.627 1.00 21.22 N ATOM 1213 CA ILE A 79 6.130 9.925 13.547 1.00 31.04 C ATOM 1214 C ILE A 79 5.944 11.088 14.516 1.00 44.43 C ATOM 1215 O ILE A 79 4.828 11.563 14.725 1.00 74.13 O ATOM 1216 CB ILE A 79 6.298 10.481 12.121 1.00 24.30 C ATOM 1217 CG1 ILE A 79 6.523 9.338 11.128 1.00 14.33 C ATOM 1218 CG2 ILE A 79 7.455 11.468 12.070 1.00 14.25 C ATOM 1219 CD1 ILE A 79 6.109 9.677 9.713 1.00 2.43 C ATOM 0 H ILE A 79 4.110 9.392 13.373 1.00 21.22 H new ATOM 0 HA ILE A 79 7.027 9.368 13.819 1.00 31.04 H new ATOM 0 HB ILE A 79 5.385 11.006 11.842 1.00 24.30 H new ATOM 0 HG12 ILE A 79 7.578 9.065 11.134 1.00 14.33 H new ATOM 0 HG13 ILE A 79 5.965 8.463 11.461 1.00 14.33 H new ATOM 0 HG21 ILE A 79 7.561 11.852 11.055 1.00 14.25 H new ATOM 0 HG22 ILE A 79 7.258 12.295 12.752 1.00 14.25 H new ATOM 0 HG23 ILE A 79 8.376 10.965 12.366 1.00 14.25 H new ATOM 0 HD11 ILE A 79 6.297 8.821 9.064 1.00 2.43 H new ATOM 0 HD12 ILE A 79 5.047 9.921 9.693 1.00 2.43 H new ATOM 0 HD13 ILE A 79 6.685 10.533 9.361 1.00 2.43 H new ATOM 1231 N ILE A 80 7.046 11.544 15.102 1.00 1.12 N ATOM 1232 CA ILE A 80 7.005 12.654 16.046 1.00 42.20 C ATOM 1233 C ILE A 80 7.347 13.972 15.359 1.00 11.35 C ATOM 1234 O ILE A 80 8.481 14.186 14.933 1.00 24.41 O ATOM 1235 CB ILE A 80 7.978 12.432 17.219 1.00 20.01 C ATOM 1236 CG1 ILE A 80 7.851 11.003 17.752 1.00 52.40 C ATOM 1237 CG2 ILE A 80 7.713 13.442 18.326 1.00 74.52 C ATOM 1238 CD1 ILE A 80 6.452 10.651 18.208 1.00 23.12 C ATOM 0 H ILE A 80 7.978 11.162 14.940 1.00 1.12 H new ATOM 0 HA ILE A 80 5.987 12.702 16.433 1.00 42.20 H new ATOM 0 HB ILE A 80 8.997 12.576 16.859 1.00 20.01 H new ATOM 0 HG12 ILE A 80 8.157 10.305 16.973 1.00 52.40 H new ATOM 0 HG13 ILE A 80 8.540 10.872 18.586 1.00 52.40 H new ATOM 0 HG21 ILE A 80 8.409 13.272 19.148 1.00 74.52 H new ATOM 0 HG22 ILE A 80 7.849 14.451 17.938 1.00 74.52 H new ATOM 0 HG23 ILE A 80 6.691 13.327 18.686 1.00 74.52 H new ATOM 0 HD11 ILE A 80 6.436 9.624 18.573 1.00 23.12 H new ATOM 0 HD12 ILE A 80 6.150 11.326 19.009 1.00 23.12 H new ATOM 0 HD13 ILE A 80 5.761 10.749 17.371 1.00 23.12 H new ATOM 1250 N MET A 81 6.358 14.854 15.258 1.00 52.10 N ATOM 1251 CA MET A 81 6.555 16.153 14.626 1.00 52.41 C ATOM 1252 C MET A 81 6.247 17.285 15.602 1.00 62.14 C ATOM 1253 O MET A 81 5.147 17.364 16.150 1.00 43.51 O ATOM 1254 CB MET A 81 5.670 16.280 13.385 1.00 54.15 C ATOM 1255 CG MET A 81 5.523 17.709 12.886 1.00 71.50 C ATOM 1256 SD MET A 81 4.345 17.853 11.528 1.00 30.14 S ATOM 1257 CE MET A 81 2.813 17.455 12.366 1.00 14.32 C ATOM 0 H MET A 81 5.413 14.693 15.606 1.00 52.10 H new ATOM 0 HA MET A 81 7.601 16.229 14.327 1.00 52.41 H new ATOM 0 HB2 MET A 81 6.088 15.666 12.587 1.00 54.15 H new ATOM 0 HB3 MET A 81 4.682 15.879 13.611 1.00 54.15 H new ATOM 0 HG2 MET A 81 5.201 18.346 13.710 1.00 71.50 H new ATOM 0 HG3 MET A 81 6.495 18.077 12.559 1.00 71.50 H new ATOM 0 HE1 MET A 81 2.173 16.878 11.699 1.00 14.32 H new ATOM 0 HE2 MET A 81 3.029 16.869 13.259 1.00 14.32 H new ATOM 0 HE3 MET A 81 2.304 18.376 12.651 1.00 14.32 H new ATOM 1267 N THR A 82 7.226 18.159 15.815 1.00 52.10 N ATOM 1268 CA THR A 82 7.060 19.285 16.726 1.00 70.15 C ATOM 1269 C THR A 82 8.284 20.193 16.706 1.00 63.20 C ATOM 1270 O THR A 82 9.263 19.917 16.012 1.00 35.43 O ATOM 1271 CB THR A 82 6.812 18.808 18.169 1.00 14.00 C ATOM 1272 OG1 THR A 82 6.397 19.910 18.984 1.00 22.34 O ATOM 1273 CG2 THR A 82 8.067 18.181 18.755 1.00 24.33 C ATOM 0 H THR A 82 8.142 18.109 15.369 1.00 52.10 H new ATOM 0 HA THR A 82 6.190 19.845 16.382 1.00 70.15 H new ATOM 0 HB THR A 82 6.025 18.054 18.149 1.00 14.00 H new ATOM 0 HG1 THR A 82 6.938 19.934 19.801 1.00 22.34 H new ATOM 0 HG21 THR A 82 7.867 17.852 19.775 1.00 24.33 H new ATOM 0 HG22 THR A 82 8.363 17.325 18.149 1.00 24.33 H new ATOM 0 HG23 THR A 82 8.872 18.916 18.762 1.00 24.33 H new ATOM 1281 N ALA A 83 8.223 21.277 17.472 1.00 5.02 N ATOM 1282 CA ALA A 83 9.329 22.224 17.545 1.00 50.35 C ATOM 1283 C ALA A 83 10.249 21.905 18.718 1.00 44.22 C ATOM 1284 O ALA A 83 10.150 20.839 19.326 1.00 63.25 O ATOM 1285 CB ALA A 83 8.799 23.646 17.658 1.00 2.03 C ATOM 0 H ALA A 83 7.419 21.521 18.051 1.00 5.02 H new ATOM 0 HA ALA A 83 9.911 22.137 16.628 1.00 50.35 H new ATOM 0 HB1 ALA A 83 9.635 24.343 17.712 1.00 2.03 H new ATOM 0 HB2 ALA A 83 8.189 23.878 16.785 1.00 2.03 H new ATOM 0 HB3 ALA A 83 8.192 23.738 18.559 1.00 2.03 H new ATOM 1291 N HIS A 84 11.145 22.836 19.031 1.00 24.21 N ATOM 1292 CA HIS A 84 12.084 22.653 20.132 1.00 3.04 C ATOM 1293 C HIS A 84 11.344 22.366 21.435 1.00 1.44 C ATOM 1294 O HIS A 84 11.892 21.749 22.349 1.00 52.41 O ATOM 1295 CB HIS A 84 12.962 23.894 20.293 1.00 1.54 C ATOM 1296 CG HIS A 84 12.224 25.086 20.820 1.00 15.14 C ATOM 1297 ND1 HIS A 84 12.727 25.908 21.806 1.00 3.30 N ATOM 1298 CD2 HIS A 84 11.012 25.593 20.492 1.00 44.42 C ATOM 1299 CE1 HIS A 84 11.857 26.869 22.062 1.00 23.23 C ATOM 1300 NE2 HIS A 84 10.808 26.701 21.278 1.00 60.23 N ATOM 0 H HIS A 84 11.240 23.724 18.538 1.00 24.21 H new ATOM 0 HA HIS A 84 12.717 21.797 19.898 1.00 3.04 H new ATOM 0 HB2 HIS A 84 13.787 23.661 20.967 1.00 1.54 H new ATOM 0 HB3 HIS A 84 13.401 24.146 19.328 1.00 1.54 H new ATOM 0 HD2 HIS A 84 10.332 25.200 19.751 1.00 44.42 H new ATOM 0 HE1 HIS A 84 11.983 27.658 22.789 1.00 23.23 H new ATOM 0 HE2 HIS A 84 9.981 27.297 21.259 1.00 60.23 H new ATOM 1308 N SER A 85 10.097 22.819 21.514 1.00 52.22 N ATOM 1309 CA SER A 85 9.283 22.615 22.707 1.00 43.33 C ATOM 1310 C SER A 85 9.128 21.128 23.011 1.00 5.41 C ATOM 1311 O SER A 85 8.602 20.369 22.198 1.00 35.43 O ATOM 1312 CB SER A 85 7.906 23.257 22.526 1.00 20.41 C ATOM 1313 OG SER A 85 7.923 24.619 22.914 1.00 43.52 O ATOM 0 H SER A 85 9.628 23.330 20.766 1.00 52.22 H new ATOM 0 HA SER A 85 9.789 23.089 23.548 1.00 43.33 H new ATOM 0 HB2 SER A 85 7.598 23.177 21.483 1.00 20.41 H new ATOM 0 HB3 SER A 85 7.168 22.716 23.119 1.00 20.41 H new ATOM 0 HG SER A 85 7.406 24.731 23.739 1.00 43.52 H new ATOM 1319 N ASP A 86 9.592 20.721 24.188 1.00 74.35 N ATOM 1320 CA ASP A 86 9.505 19.325 24.602 1.00 55.14 C ATOM 1321 C ASP A 86 10.329 18.432 23.680 1.00 43.33 C ATOM 1322 O ASP A 86 10.040 17.245 23.526 1.00 71.04 O ATOM 1323 CB ASP A 86 8.047 18.863 24.609 1.00 55.11 C ATOM 1324 CG ASP A 86 7.608 18.351 25.967 1.00 1.50 C ATOM 1325 OD1 ASP A 86 7.954 17.201 26.308 1.00 71.42 O ATOM 1326 OD2 ASP A 86 6.920 19.102 26.690 1.00 41.25 O ATOM 0 H ASP A 86 10.032 21.337 24.872 1.00 74.35 H new ATOM 0 HA ASP A 86 9.909 19.246 25.611 1.00 55.14 H new ATOM 0 HB2 ASP A 86 7.405 19.692 24.312 1.00 55.11 H new ATOM 0 HB3 ASP A 86 7.915 18.076 23.867 1.00 55.11 H new ATOM 1331 N LEU A 87 11.357 19.011 23.068 1.00 53.10 N ATOM 1332 CA LEU A 87 12.224 18.268 22.160 1.00 54.43 C ATOM 1333 C LEU A 87 12.866 17.081 22.870 1.00 44.14 C ATOM 1334 O LEU A 87 13.295 16.120 22.230 1.00 54.20 O ATOM 1335 CB LEU A 87 13.308 19.187 21.593 1.00 20.43 C ATOM 1336 CG LEU A 87 14.486 18.492 20.909 1.00 74.32 C ATOM 1337 CD1 LEU A 87 14.021 17.762 19.658 1.00 42.43 C ATOM 1338 CD2 LEU A 87 15.574 19.499 20.568 1.00 24.21 C ATOM 0 H LEU A 87 11.610 19.992 23.184 1.00 53.10 H new ATOM 0 HA LEU A 87 11.613 17.889 21.341 1.00 54.43 H new ATOM 0 HB2 LEU A 87 12.844 19.863 20.875 1.00 20.43 H new ATOM 0 HB3 LEU A 87 13.696 19.802 22.405 1.00 20.43 H new ATOM 0 HG LEU A 87 14.902 17.758 21.600 1.00 74.32 H new ATOM 0 HD11 LEU A 87 14.872 17.273 19.184 1.00 42.43 H new ATOM 0 HD12 LEU A 87 13.277 17.013 19.929 1.00 42.43 H new ATOM 0 HD13 LEU A 87 13.580 18.476 18.963 1.00 42.43 H new ATOM 0 HD21 LEU A 87 16.404 18.987 20.082 1.00 24.21 H new ATOM 0 HD22 LEU A 87 15.171 20.256 19.895 1.00 24.21 H new ATOM 0 HD23 LEU A 87 15.927 19.976 21.482 1.00 24.21 H new ATOM 1350 N ASP A 88 12.928 17.154 24.195 1.00 65.45 N ATOM 1351 CA ASP A 88 13.516 16.083 24.992 1.00 12.32 C ATOM 1352 C ASP A 88 12.833 14.751 24.700 1.00 30.34 C ATOM 1353 O ASP A 88 13.451 13.691 24.796 1.00 4.20 O ATOM 1354 CB ASP A 88 13.407 16.411 26.482 1.00 24.53 C ATOM 1355 CG ASP A 88 14.666 17.058 27.026 1.00 53.42 C ATOM 1356 OD1 ASP A 88 15.229 17.932 26.334 1.00 13.32 O ATOM 1357 OD2 ASP A 88 15.088 16.691 28.142 1.00 31.14 O ATOM 0 H ASP A 88 12.579 17.943 24.740 1.00 65.45 H new ATOM 0 HA ASP A 88 14.569 15.997 24.722 1.00 12.32 H new ATOM 0 HB2 ASP A 88 12.560 17.078 26.643 1.00 24.53 H new ATOM 0 HB3 ASP A 88 13.202 15.496 27.038 1.00 24.53 H new ATOM 1362 N ALA A 89 11.554 14.812 24.345 1.00 12.42 N ATOM 1363 CA ALA A 89 10.787 13.611 24.039 1.00 43.03 C ATOM 1364 C ALA A 89 11.260 12.976 22.735 1.00 12.13 C ATOM 1365 O ALA A 89 11.036 11.790 22.495 1.00 54.24 O ATOM 1366 CB ALA A 89 9.303 13.937 23.962 1.00 42.25 C ATOM 0 H ALA A 89 11.027 15.681 24.262 1.00 12.42 H new ATOM 0 HA ALA A 89 10.948 12.892 24.843 1.00 43.03 H new ATOM 0 HB1 ALA A 89 8.743 13.031 23.733 1.00 42.25 H new ATOM 0 HB2 ALA A 89 8.968 14.338 24.919 1.00 42.25 H new ATOM 0 HB3 ALA A 89 9.133 14.676 23.179 1.00 42.25 H new ATOM 1372 N ALA A 90 11.914 13.773 21.897 1.00 1.42 N ATOM 1373 CA ALA A 90 12.419 13.288 20.619 1.00 42.42 C ATOM 1374 C ALA A 90 13.307 12.063 20.808 1.00 0.24 C ATOM 1375 O ALA A 90 13.430 11.228 19.912 1.00 13.21 O ATOM 1376 CB ALA A 90 13.184 14.391 19.901 1.00 72.31 C ATOM 0 H ALA A 90 12.107 14.758 22.080 1.00 1.42 H new ATOM 0 HA ALA A 90 11.566 12.995 20.007 1.00 42.42 H new ATOM 0 HB1 ALA A 90 13.556 14.015 18.948 1.00 72.31 H new ATOM 0 HB2 ALA A 90 12.521 15.238 19.723 1.00 72.31 H new ATOM 0 HB3 ALA A 90 14.024 14.711 20.517 1.00 72.31 H new ATOM 1382 N VAL A 91 13.926 11.962 21.981 1.00 75.13 N ATOM 1383 CA VAL A 91 14.802 10.838 22.288 1.00 42.11 C ATOM 1384 C VAL A 91 14.007 9.649 22.815 1.00 61.11 C ATOM 1385 O VAL A 91 14.121 8.536 22.301 1.00 1.11 O ATOM 1386 CB VAL A 91 15.871 11.228 23.326 1.00 20.33 C ATOM 1387 CG1 VAL A 91 16.905 10.121 23.469 1.00 1.43 C ATOM 1388 CG2 VAL A 91 16.534 12.542 22.941 1.00 73.41 C ATOM 0 H VAL A 91 13.837 12.645 22.733 1.00 75.13 H new ATOM 0 HA VAL A 91 15.295 10.557 21.357 1.00 42.11 H new ATOM 0 HB VAL A 91 15.383 11.364 24.291 1.00 20.33 H new ATOM 0 HG11 VAL A 91 17.652 10.414 24.206 1.00 1.43 H new ATOM 0 HG12 VAL A 91 16.414 9.204 23.795 1.00 1.43 H new ATOM 0 HG13 VAL A 91 17.391 9.951 22.508 1.00 1.43 H new ATOM 0 HG21 VAL A 91 17.286 12.802 23.686 1.00 73.41 H new ATOM 0 HG22 VAL A 91 17.010 12.438 21.966 1.00 73.41 H new ATOM 0 HG23 VAL A 91 15.782 13.329 22.895 1.00 73.41 H new ATOM 1398 N SER A 92 13.201 9.892 23.843 1.00 13.02 N ATOM 1399 CA SER A 92 12.388 8.840 24.443 1.00 40.13 C ATOM 1400 C SER A 92 11.574 8.109 23.379 1.00 42.51 C ATOM 1401 O SER A 92 11.393 6.894 23.446 1.00 1.24 O ATOM 1402 CB SER A 92 11.453 9.429 25.501 1.00 43.21 C ATOM 1403 OG SER A 92 10.211 9.805 24.932 1.00 42.23 O ATOM 0 H SER A 92 13.093 10.808 24.278 1.00 13.02 H new ATOM 0 HA SER A 92 13.058 8.124 24.919 1.00 40.13 H new ATOM 0 HB2 SER A 92 11.287 8.698 26.292 1.00 43.21 H new ATOM 0 HB3 SER A 92 11.923 10.297 25.963 1.00 43.21 H new ATOM 0 HG SER A 92 10.361 10.474 24.232 1.00 42.23 H new ATOM 1409 N ALA A 93 11.086 8.860 22.397 1.00 10.41 N ATOM 1410 CA ALA A 93 10.293 8.285 21.318 1.00 42.44 C ATOM 1411 C ALA A 93 11.010 7.100 20.681 1.00 24.43 C ATOM 1412 O ALA A 93 10.429 6.027 20.514 1.00 2.12 O ATOM 1413 CB ALA A 93 9.985 9.343 20.268 1.00 14.12 C ATOM 0 H ALA A 93 11.226 9.868 22.327 1.00 10.41 H new ATOM 0 HA ALA A 93 9.356 7.925 21.742 1.00 42.44 H new ATOM 0 HB1 ALA A 93 9.392 8.900 19.468 1.00 14.12 H new ATOM 0 HB2 ALA A 93 9.425 10.158 20.726 1.00 14.12 H new ATOM 0 HB3 ALA A 93 10.917 9.730 19.857 1.00 14.12 H new ATOM 1419 N TYR A 94 12.275 7.300 20.328 1.00 60.43 N ATOM 1420 CA TYR A 94 13.071 6.247 19.707 1.00 55.35 C ATOM 1421 C TYR A 94 13.082 4.990 20.571 1.00 13.52 C ATOM 1422 O TYR A 94 12.939 3.877 20.067 1.00 33.24 O ATOM 1423 CB TYR A 94 14.502 6.732 19.473 1.00 24.01 C ATOM 1424 CG TYR A 94 14.616 7.790 18.399 1.00 61.23 C ATOM 1425 CD1 TYR A 94 13.996 7.626 17.166 1.00 23.12 C ATOM 1426 CD2 TYR A 94 15.343 8.954 18.617 1.00 72.11 C ATOM 1427 CE1 TYR A 94 14.098 8.589 16.182 1.00 43.44 C ATOM 1428 CE2 TYR A 94 15.449 9.924 17.639 1.00 70.44 C ATOM 1429 CZ TYR A 94 14.825 9.736 16.423 1.00 44.54 C ATOM 1430 OH TYR A 94 14.928 10.699 15.445 1.00 42.41 O ATOM 0 H TYR A 94 12.771 8.181 20.461 1.00 60.43 H new ATOM 0 HA TYR A 94 12.616 6.001 18.747 1.00 55.35 H new ATOM 0 HB2 TYR A 94 14.899 7.130 20.407 1.00 24.01 H new ATOM 0 HB3 TYR A 94 15.125 5.880 19.200 1.00 24.01 H new ATOM 0 HD1 TYR A 94 13.425 6.730 16.974 1.00 23.12 H new ATOM 0 HD2 TYR A 94 15.834 9.103 19.567 1.00 72.11 H new ATOM 0 HE1 TYR A 94 13.611 8.445 15.229 1.00 43.44 H new ATOM 0 HE2 TYR A 94 16.017 10.824 17.825 1.00 70.44 H new ATOM 0 HH TYR A 94 15.473 11.444 15.775 1.00 42.41 H new ATOM 1440 N GLN A 95 13.252 5.179 21.876 1.00 50.22 N ATOM 1441 CA GLN A 95 13.282 4.061 22.811 1.00 11.34 C ATOM 1442 C GLN A 95 11.913 3.395 22.907 1.00 24.04 C ATOM 1443 O GLN A 95 11.810 2.215 23.241 1.00 31.01 O ATOM 1444 CB GLN A 95 13.728 4.538 24.195 1.00 43.24 C ATOM 1445 CG GLN A 95 15.181 4.984 24.245 1.00 31.51 C ATOM 1446 CD GLN A 95 15.599 5.454 25.624 1.00 44.30 C ATOM 1447 OE1 GLN A 95 15.257 4.838 26.633 1.00 20.15 O ATOM 1448 NE2 GLN A 95 16.344 6.552 25.674 1.00 4.31 N ATOM 0 H GLN A 95 13.371 6.095 22.309 1.00 50.22 H new ATOM 0 HA GLN A 95 13.998 3.328 22.439 1.00 11.34 H new ATOM 0 HB2 GLN A 95 13.091 5.366 24.508 1.00 43.24 H new ATOM 0 HB3 GLN A 95 13.579 3.732 24.914 1.00 43.24 H new ATOM 0 HG2 GLN A 95 15.822 4.158 23.937 1.00 31.51 H new ATOM 0 HG3 GLN A 95 15.335 5.791 23.528 1.00 31.51 H new ATOM 0 HE21 GLN A 95 16.604 7.031 24.812 1.00 4.31 H new ATOM 0 HE22 GLN A 95 16.656 6.916 26.574 1.00 4.31 H new ATOM 1457 N GLN A 96 10.867 4.159 22.613 1.00 14.32 N ATOM 1458 CA GLN A 96 9.504 3.642 22.668 1.00 44.32 C ATOM 1459 C GLN A 96 9.139 2.933 21.368 1.00 52.21 C ATOM 1460 O GLN A 96 8.191 2.150 21.322 1.00 51.45 O ATOM 1461 CB GLN A 96 8.516 4.778 22.939 1.00 72.33 C ATOM 1462 CG GLN A 96 7.822 4.671 24.287 1.00 52.40 C ATOM 1463 CD GLN A 96 7.011 5.907 24.625 1.00 74.32 C ATOM 1464 OE1 GLN A 96 7.541 6.889 25.144 1.00 1.02 O ATOM 1465 NE2 GLN A 96 5.716 5.864 24.331 1.00 63.01 N ATOM 0 H GLN A 96 10.936 5.138 22.334 1.00 14.32 H new ATOM 0 HA GLN A 96 9.448 2.920 23.483 1.00 44.32 H new ATOM 0 HB2 GLN A 96 9.046 5.729 22.887 1.00 72.33 H new ATOM 0 HB3 GLN A 96 7.763 4.789 22.151 1.00 72.33 H new ATOM 0 HG2 GLN A 96 7.167 3.800 24.286 1.00 52.40 H new ATOM 0 HG3 GLN A 96 8.569 4.507 25.064 1.00 52.40 H new ATOM 0 HE21 GLN A 96 5.318 5.029 23.901 1.00 63.01 H new ATOM 0 HE22 GLN A 96 5.120 6.666 24.535 1.00 63.01 H new ATOM 1474 N GLY A 97 9.898 3.214 20.313 1.00 74.43 N ATOM 1475 CA GLY A 97 9.637 2.595 19.026 1.00 21.31 C ATOM 1476 C GLY A 97 9.264 3.607 17.961 1.00 33.40 C ATOM 1477 O GLY A 97 8.573 3.277 16.997 1.00 25.10 O ATOM 0 H GLY A 97 10.688 3.859 20.326 1.00 74.43 H new ATOM 0 HA2 GLY A 97 10.521 2.044 18.705 1.00 21.31 H new ATOM 0 HA3 GLY A 97 8.830 1.870 19.132 1.00 21.31 H new ATOM 1481 N ALA A 98 9.720 4.843 18.136 1.00 74.34 N ATOM 1482 CA ALA A 98 9.430 5.906 17.181 1.00 34.34 C ATOM 1483 C ALA A 98 10.024 5.592 15.813 1.00 43.23 C ATOM 1484 O ALA A 98 10.908 4.744 15.688 1.00 32.32 O ATOM 1485 CB ALA A 98 9.958 7.236 17.697 1.00 44.14 C ATOM 0 H ALA A 98 10.291 5.133 18.930 1.00 74.34 H new ATOM 0 HA ALA A 98 8.348 5.976 17.069 1.00 34.34 H new ATOM 0 HB1 ALA A 98 9.735 8.021 16.974 1.00 44.14 H new ATOM 0 HB2 ALA A 98 9.481 7.472 18.648 1.00 44.14 H new ATOM 0 HB3 ALA A 98 11.037 7.169 17.838 1.00 44.14 H new ATOM 1491 N PHE A 99 9.534 6.281 14.788 1.00 41.43 N ATOM 1492 CA PHE A 99 10.016 6.075 13.427 1.00 23.11 C ATOM 1493 C PHE A 99 11.064 7.121 13.057 1.00 73.14 C ATOM 1494 O PHE A 99 12.175 6.784 12.648 1.00 40.35 O ATOM 1495 CB PHE A 99 8.851 6.130 12.437 1.00 44.24 C ATOM 1496 CG PHE A 99 9.190 5.580 11.081 1.00 65.50 C ATOM 1497 CD1 PHE A 99 9.088 4.222 10.825 1.00 64.23 C ATOM 1498 CD2 PHE A 99 9.612 6.420 10.063 1.00 71.20 C ATOM 1499 CE1 PHE A 99 9.399 3.712 9.578 1.00 24.22 C ATOM 1500 CE2 PHE A 99 9.924 5.916 8.815 1.00 72.35 C ATOM 1501 CZ PHE A 99 9.819 4.560 8.572 1.00 34.11 C ATOM 0 H PHE A 99 8.803 6.987 14.874 1.00 41.43 H new ATOM 0 HA PHE A 99 10.479 5.090 13.377 1.00 23.11 H new ATOM 0 HB2 PHE A 99 8.010 5.571 12.847 1.00 44.24 H new ATOM 0 HB3 PHE A 99 8.525 7.164 12.329 1.00 44.24 H new ATOM 0 HD1 PHE A 99 8.762 3.554 11.609 1.00 64.23 H new ATOM 0 HD2 PHE A 99 9.698 7.481 10.247 1.00 71.20 H new ATOM 0 HE1 PHE A 99 9.314 2.652 9.391 1.00 24.22 H new ATOM 0 HE2 PHE A 99 10.250 6.582 8.030 1.00 72.35 H new ATOM 0 HZ PHE A 99 10.065 4.164 7.598 1.00 34.11 H new ATOM 1511 N ASP A 100 10.700 8.390 13.203 1.00 45.34 N ATOM 1512 CA ASP A 100 11.608 9.487 12.884 1.00 31.42 C ATOM 1513 C ASP A 100 11.070 10.810 13.419 1.00 11.03 C ATOM 1514 O ASP A 100 9.971 10.867 13.972 1.00 50.25 O ATOM 1515 CB ASP A 100 11.817 9.581 11.372 1.00 21.00 C ATOM 1516 CG ASP A 100 13.271 9.411 10.977 1.00 71.30 C ATOM 1517 OD1 ASP A 100 14.135 10.064 11.599 1.00 75.31 O ATOM 1518 OD2 ASP A 100 13.545 8.625 10.045 1.00 12.23 O ATOM 0 H ASP A 100 9.784 8.685 13.540 1.00 45.34 H new ATOM 0 HA ASP A 100 12.566 9.284 13.363 1.00 31.42 H new ATOM 0 HB2 ASP A 100 11.217 8.817 10.877 1.00 21.00 H new ATOM 0 HB3 ASP A 100 11.458 10.547 11.018 1.00 21.00 H new ATOM 1523 N TYR A 101 11.852 11.871 13.253 1.00 73.11 N ATOM 1524 CA TYR A 101 11.456 13.193 13.722 1.00 14.43 C ATOM 1525 C TYR A 101 11.339 14.172 12.558 1.00 55.20 C ATOM 1526 O TYR A 101 12.340 14.698 12.070 1.00 11.22 O ATOM 1527 CB TYR A 101 12.465 13.718 14.745 1.00 40.12 C ATOM 1528 CG TYR A 101 11.992 14.947 15.487 1.00 15.23 C ATOM 1529 CD1 TYR A 101 10.909 14.884 16.356 1.00 30.42 C ATOM 1530 CD2 TYR A 101 12.626 16.172 15.320 1.00 74.15 C ATOM 1531 CE1 TYR A 101 10.472 16.004 17.036 1.00 22.03 C ATOM 1532 CE2 TYR A 101 12.197 17.297 15.997 1.00 73.04 C ATOM 1533 CZ TYR A 101 11.120 17.208 16.854 1.00 54.14 C ATOM 1534 OH TYR A 101 10.688 18.327 17.529 1.00 64.12 O ATOM 0 H TYR A 101 12.764 11.841 12.797 1.00 73.11 H new ATOM 0 HA TYR A 101 10.479 13.104 14.198 1.00 14.43 H new ATOM 0 HB2 TYR A 101 12.682 12.930 15.466 1.00 40.12 H new ATOM 0 HB3 TYR A 101 13.400 13.949 14.235 1.00 40.12 H new ATOM 0 HD1 TYR A 101 10.400 13.943 16.502 1.00 30.42 H new ATOM 0 HD2 TYR A 101 13.469 16.246 14.649 1.00 74.15 H new ATOM 0 HE1 TYR A 101 9.628 15.937 17.706 1.00 22.03 H new ATOM 0 HE2 TYR A 101 12.702 18.241 15.856 1.00 73.04 H new ATOM 0 HH TYR A 101 10.480 19.037 16.886 1.00 64.12 H new ATOM 1544 N LEU A 102 10.109 14.413 12.117 1.00 34.45 N ATOM 1545 CA LEU A 102 9.858 15.329 11.010 1.00 12.15 C ATOM 1546 C LEU A 102 9.159 16.594 11.498 1.00 2.25 C ATOM 1547 O LEU A 102 7.941 16.740 11.393 1.00 3.30 O ATOM 1548 CB LEU A 102 9.008 14.645 9.938 1.00 30.34 C ATOM 1549 CG LEU A 102 8.566 15.525 8.769 1.00 42.11 C ATOM 1550 CD1 LEU A 102 9.759 16.253 8.168 1.00 11.15 C ATOM 1551 CD2 LEU A 102 7.860 14.691 7.710 1.00 22.31 C ATOM 0 H LEU A 102 9.270 13.986 12.509 1.00 34.45 H new ATOM 0 HA LEU A 102 10.819 15.610 10.579 1.00 12.15 H new ATOM 0 HB2 LEU A 102 9.572 13.802 9.539 1.00 30.34 H new ATOM 0 HB3 LEU A 102 8.118 14.236 10.415 1.00 30.34 H new ATOM 0 HG LEU A 102 7.864 16.269 9.145 1.00 42.11 H new ATOM 0 HD11 LEU A 102 9.425 16.875 7.337 1.00 11.15 H new ATOM 0 HD12 LEU A 102 10.222 16.882 8.928 1.00 11.15 H new ATOM 0 HD13 LEU A 102 10.486 15.525 7.807 1.00 11.15 H new ATOM 0 HD21 LEU A 102 7.553 15.334 6.886 1.00 22.31 H new ATOM 0 HD22 LEU A 102 8.540 13.924 7.338 1.00 22.31 H new ATOM 0 HD23 LEU A 102 6.981 14.216 8.147 1.00 22.31 H new ATOM 1563 N PRO A 103 9.947 17.533 12.044 1.00 62.31 N ATOM 1564 CA PRO A 103 9.426 18.804 12.556 1.00 23.54 C ATOM 1565 C PRO A 103 8.938 19.722 11.441 1.00 23.12 C ATOM 1566 O PRO A 103 8.838 19.312 10.284 1.00 11.35 O ATOM 1567 CB PRO A 103 10.633 19.421 13.268 1.00 63.55 C ATOM 1568 CG PRO A 103 11.818 18.818 12.595 1.00 21.31 C ATOM 1569 CD PRO A 103 11.407 17.426 12.202 1.00 63.32 C ATOM 0 HA PRO A 103 8.561 18.659 13.203 1.00 23.54 H new ATOM 0 HB2 PRO A 103 10.635 20.507 13.175 1.00 63.55 H new ATOM 0 HB3 PRO A 103 10.624 19.192 14.334 1.00 63.55 H new ATOM 0 HG2 PRO A 103 12.109 19.401 11.721 1.00 21.31 H new ATOM 0 HG3 PRO A 103 12.678 18.797 13.264 1.00 21.31 H new ATOM 0 HD2 PRO A 103 11.889 17.111 11.277 1.00 63.32 H new ATOM 0 HD3 PRO A 103 11.676 16.697 12.966 1.00 63.32 H new ATOM 1577 N LYS A 104 8.636 20.966 11.796 1.00 42.34 N ATOM 1578 CA LYS A 104 8.160 21.945 10.825 1.00 61.41 C ATOM 1579 C LYS A 104 8.779 23.314 11.085 1.00 51.44 C ATOM 1580 O LYS A 104 9.176 23.641 12.203 1.00 22.33 O ATOM 1581 CB LYS A 104 6.634 22.044 10.877 1.00 11.42 C ATOM 1582 CG LYS A 104 6.089 22.309 12.270 1.00 20.31 C ATOM 1583 CD LYS A 104 5.855 21.015 13.032 1.00 74.01 C ATOM 1584 CE LYS A 104 4.926 21.227 14.218 1.00 25.01 C ATOM 1585 NZ LYS A 104 5.375 22.357 15.078 1.00 21.45 N ATOM 0 H LYS A 104 8.712 21.321 12.749 1.00 42.34 H new ATOM 0 HA LYS A 104 8.462 21.612 9.832 1.00 61.41 H new ATOM 0 HB2 LYS A 104 6.307 22.842 10.210 1.00 11.42 H new ATOM 0 HB3 LYS A 104 6.205 21.116 10.498 1.00 11.42 H new ATOM 0 HG2 LYS A 104 6.789 22.936 12.822 1.00 20.31 H new ATOM 0 HG3 LYS A 104 5.153 22.863 12.196 1.00 20.31 H new ATOM 0 HD2 LYS A 104 5.427 20.269 12.362 1.00 74.01 H new ATOM 0 HD3 LYS A 104 6.809 20.620 13.382 1.00 74.01 H new ATOM 0 HE2 LYS A 104 3.916 21.423 13.858 1.00 25.01 H new ATOM 0 HE3 LYS A 104 4.881 20.314 14.812 1.00 25.01 H new ATOM 0 HZ1 LYS A 104 4.857 22.334 15.980 1.00 21.45 H new ATOM 0 HZ2 LYS A 104 6.395 22.269 15.262 1.00 21.45 H new ATOM 0 HZ3 LYS A 104 5.187 23.258 14.594 1.00 21.45 H new ATOM 1599 N PRO A 105 8.862 24.137 10.028 1.00 22.04 N ATOM 1600 CA PRO A 105 8.393 23.759 8.692 1.00 40.30 C ATOM 1601 C PRO A 105 9.269 22.689 8.051 1.00 24.51 C ATOM 1602 O PRO A 105 10.414 22.485 8.456 1.00 43.24 O ATOM 1603 CB PRO A 105 8.483 25.067 7.902 1.00 53.22 C ATOM 1604 CG PRO A 105 9.530 25.862 8.602 1.00 22.13 C ATOM 1605 CD PRO A 105 9.421 25.499 10.057 1.00 23.15 C ATOM 0 HA PRO A 105 7.392 23.328 8.718 1.00 40.30 H new ATOM 0 HB2 PRO A 105 8.754 24.884 6.862 1.00 53.22 H new ATOM 0 HB3 PRO A 105 7.527 25.591 7.894 1.00 53.22 H new ATOM 0 HG2 PRO A 105 10.522 25.628 8.215 1.00 22.13 H new ATOM 0 HG3 PRO A 105 9.373 26.930 8.453 1.00 22.13 H new ATOM 0 HD2 PRO A 105 10.392 25.524 10.551 1.00 23.15 H new ATOM 0 HD3 PRO A 105 8.771 26.189 10.596 1.00 23.15 H new ATOM 1613 N PHE A 106 8.725 22.006 7.049 1.00 13.50 N ATOM 1614 CA PHE A 106 9.457 20.956 6.352 1.00 24.32 C ATOM 1615 C PHE A 106 8.969 20.814 4.914 1.00 54.03 C ATOM 1616 O PHE A 106 8.007 21.466 4.506 1.00 1.14 O ATOM 1617 CB PHE A 106 9.304 19.623 7.089 1.00 52.25 C ATOM 1618 CG PHE A 106 7.946 19.001 6.926 1.00 42.52 C ATOM 1619 CD1 PHE A 106 6.904 19.349 7.770 1.00 5.43 C ATOM 1620 CD2 PHE A 106 7.712 18.069 5.928 1.00 21.54 C ATOM 1621 CE1 PHE A 106 5.654 18.779 7.623 1.00 11.41 C ATOM 1622 CE2 PHE A 106 6.464 17.496 5.776 1.00 33.41 C ATOM 1623 CZ PHE A 106 5.434 17.850 6.625 1.00 14.52 C ATOM 0 H PHE A 106 7.779 22.162 6.702 1.00 13.50 H new ATOM 0 HA PHE A 106 10.511 21.234 6.333 1.00 24.32 H new ATOM 0 HB2 PHE A 106 10.060 18.927 6.725 1.00 52.25 H new ATOM 0 HB3 PHE A 106 9.499 19.779 8.150 1.00 52.25 H new ATOM 0 HD1 PHE A 106 7.071 20.075 8.552 1.00 5.43 H new ATOM 0 HD2 PHE A 106 8.514 17.787 5.262 1.00 21.54 H new ATOM 0 HE1 PHE A 106 4.850 19.059 8.288 1.00 11.41 H new ATOM 0 HE2 PHE A 106 6.294 16.771 4.993 1.00 33.41 H new ATOM 0 HZ PHE A 106 4.458 17.401 6.509 1.00 14.52 H new ATOM 1633 N ASP A 107 9.638 19.958 4.149 1.00 1.25 N ATOM 1634 CA ASP A 107 9.273 19.730 2.756 1.00 32.43 C ATOM 1635 C ASP A 107 8.347 18.524 2.628 1.00 13.21 C ATOM 1636 O ASP A 107 8.767 17.383 2.824 1.00 55.24 O ATOM 1637 CB ASP A 107 10.526 19.518 1.906 1.00 24.11 C ATOM 1638 CG ASP A 107 11.040 20.809 1.300 1.00 53.21 C ATOM 1639 OD1 ASP A 107 11.810 21.518 1.980 1.00 44.21 O ATOM 1640 OD2 ASP A 107 10.670 21.111 0.146 1.00 50.43 O ATOM 0 H ASP A 107 10.436 19.410 4.471 1.00 1.25 H new ATOM 0 HA ASP A 107 8.744 20.612 2.396 1.00 32.43 H new ATOM 0 HB2 ASP A 107 11.308 19.072 2.521 1.00 24.11 H new ATOM 0 HB3 ASP A 107 10.305 18.809 1.109 1.00 24.11 H new ATOM 1645 N ILE A 108 7.086 18.785 2.300 1.00 51.41 N ATOM 1646 CA ILE A 108 6.101 17.722 2.146 1.00 61.11 C ATOM 1647 C ILE A 108 6.615 16.627 1.218 1.00 63.32 C ATOM 1648 O ILE A 108 6.207 15.470 1.320 1.00 74.22 O ATOM 1649 CB ILE A 108 4.769 18.264 1.594 1.00 22.40 C ATOM 1650 CG1 ILE A 108 4.925 18.662 0.125 1.00 60.51 C ATOM 1651 CG2 ILE A 108 4.296 19.449 2.422 1.00 34.31 C ATOM 1652 CD1 ILE A 108 5.811 19.870 -0.083 1.00 71.22 C ATOM 0 H ILE A 108 6.723 19.724 2.136 1.00 51.41 H new ATOM 0 HA ILE A 108 5.930 17.304 3.138 1.00 61.11 H new ATOM 0 HB ILE A 108 4.018 17.477 1.660 1.00 22.40 H new ATOM 0 HG12 ILE A 108 5.338 17.819 -0.429 1.00 60.51 H new ATOM 0 HG13 ILE A 108 3.940 18.868 -0.294 1.00 60.51 H new ATOM 0 HG21 ILE A 108 3.354 19.821 2.020 1.00 34.31 H new ATOM 0 HG22 ILE A 108 4.151 19.136 3.456 1.00 34.31 H new ATOM 0 HG23 ILE A 108 5.044 20.241 2.385 1.00 34.31 H new ATOM 0 HD11 ILE A 108 5.876 20.094 -1.148 1.00 71.22 H new ATOM 0 HD12 ILE A 108 5.389 20.726 0.443 1.00 71.22 H new ATOM 0 HD13 ILE A 108 6.808 19.661 0.305 1.00 71.22 H new ATOM 1664 N ASP A 109 7.515 16.999 0.314 1.00 11.10 N ATOM 1665 CA ASP A 109 8.088 16.048 -0.631 1.00 61.12 C ATOM 1666 C ASP A 109 8.650 14.830 0.096 1.00 14.33 C ATOM 1667 O ASP A 109 8.667 13.726 -0.446 1.00 31.33 O ATOM 1668 CB ASP A 109 9.188 16.717 -1.457 1.00 24.34 C ATOM 1669 CG ASP A 109 8.702 17.152 -2.825 1.00 22.10 C ATOM 1670 OD1 ASP A 109 7.910 18.115 -2.895 1.00 31.01 O ATOM 1671 OD2 ASP A 109 9.115 16.530 -3.826 1.00 54.01 O ATOM 0 H ASP A 109 7.863 17.953 0.216 1.00 11.10 H new ATOM 0 HA ASP A 109 7.294 15.715 -1.299 1.00 61.12 H new ATOM 0 HB2 ASP A 109 9.567 17.584 -0.917 1.00 24.34 H new ATOM 0 HB3 ASP A 109 10.022 16.025 -1.574 1.00 24.34 H new ATOM 1676 N GLU A 110 9.109 15.041 1.326 1.00 54.41 N ATOM 1677 CA GLU A 110 9.673 13.961 2.126 1.00 34.40 C ATOM 1678 C GLU A 110 8.578 13.222 2.891 1.00 62.43 C ATOM 1679 O GLU A 110 8.714 12.039 3.202 1.00 24.13 O ATOM 1680 CB GLU A 110 10.712 14.510 3.105 1.00 1.02 C ATOM 1681 CG GLU A 110 12.096 13.910 2.924 1.00 61.31 C ATOM 1682 CD GLU A 110 12.627 14.083 1.514 1.00 1.22 C ATOM 1683 OE1 GLU A 110 12.087 14.934 0.777 1.00 63.13 O ATOM 1684 OE2 GLU A 110 13.583 13.368 1.149 1.00 64.40 O ATOM 0 H GLU A 110 9.101 15.950 1.789 1.00 54.41 H new ATOM 0 HA GLU A 110 10.158 13.258 1.449 1.00 34.40 H new ATOM 0 HB2 GLU A 110 10.776 15.592 2.985 1.00 1.02 H new ATOM 0 HB3 GLU A 110 10.374 14.321 4.124 1.00 1.02 H new ATOM 0 HG2 GLU A 110 12.785 14.377 3.628 1.00 61.31 H new ATOM 0 HG3 GLU A 110 12.062 12.848 3.168 1.00 61.31 H new ATOM 1691 N ALA A 111 7.493 13.928 3.190 1.00 2.31 N ATOM 1692 CA ALA A 111 6.375 13.340 3.917 1.00 52.24 C ATOM 1693 C ALA A 111 5.649 12.306 3.063 1.00 30.32 C ATOM 1694 O ALA A 111 5.425 11.175 3.496 1.00 4.24 O ATOM 1695 CB ALA A 111 5.409 14.426 4.368 1.00 23.01 C ATOM 0 H ALA A 111 7.364 14.908 2.940 1.00 2.31 H new ATOM 0 HA ALA A 111 6.772 12.833 4.797 1.00 52.24 H new ATOM 0 HB1 ALA A 111 4.579 13.973 4.910 1.00 23.01 H new ATOM 0 HB2 ALA A 111 5.929 15.127 5.021 1.00 23.01 H new ATOM 0 HB3 ALA A 111 5.026 14.957 3.497 1.00 23.01 H new ATOM 1701 N VAL A 112 5.282 12.700 1.848 1.00 63.12 N ATOM 1702 CA VAL A 112 4.582 11.806 0.933 1.00 12.42 C ATOM 1703 C VAL A 112 5.305 10.470 0.809 1.00 35.23 C ATOM 1704 O VAL A 112 4.674 9.415 0.751 1.00 31.32 O ATOM 1705 CB VAL A 112 4.442 12.433 -0.467 1.00 15.43 C ATOM 1706 CG1 VAL A 112 3.828 11.437 -1.439 1.00 41.50 C ATOM 1707 CG2 VAL A 112 3.611 13.706 -0.399 1.00 72.02 C ATOM 0 H VAL A 112 5.458 13.633 1.474 1.00 63.12 H new ATOM 0 HA VAL A 112 3.589 11.641 1.350 1.00 12.42 H new ATOM 0 HB VAL A 112 5.436 12.694 -0.831 1.00 15.43 H new ATOM 0 HG11 VAL A 112 3.737 11.898 -2.423 1.00 41.50 H new ATOM 0 HG12 VAL A 112 4.466 10.556 -1.509 1.00 41.50 H new ATOM 0 HG13 VAL A 112 2.841 11.143 -1.083 1.00 41.50 H new ATOM 0 HG21 VAL A 112 3.522 14.136 -1.397 1.00 72.02 H new ATOM 0 HG22 VAL A 112 2.618 13.472 -0.015 1.00 72.02 H new ATOM 0 HG23 VAL A 112 4.097 14.423 0.263 1.00 72.02 H new ATOM 1717 N ALA A 113 6.632 10.523 0.770 1.00 71.42 N ATOM 1718 CA ALA A 113 7.441 9.316 0.655 1.00 23.25 C ATOM 1719 C ALA A 113 7.669 8.676 2.021 1.00 71.01 C ATOM 1720 O ALA A 113 7.840 7.461 2.128 1.00 71.22 O ATOM 1721 CB ALA A 113 8.773 9.634 -0.009 1.00 14.21 C ATOM 0 H ALA A 113 7.170 11.389 0.816 1.00 71.42 H new ATOM 0 HA ALA A 113 6.899 8.603 0.034 1.00 23.25 H new ATOM 0 HB1 ALA A 113 9.367 8.723 -0.088 1.00 14.21 H new ATOM 0 HB2 ALA A 113 8.595 10.039 -1.005 1.00 14.21 H new ATOM 0 HB3 ALA A 113 9.312 10.368 0.590 1.00 14.21 H new ATOM 1727 N LEU A 114 7.671 9.501 3.062 1.00 32.43 N ATOM 1728 CA LEU A 114 7.878 9.015 4.422 1.00 4.13 C ATOM 1729 C LEU A 114 6.648 8.269 4.928 1.00 53.21 C ATOM 1730 O LEU A 114 6.741 7.435 5.829 1.00 53.23 O ATOM 1731 CB LEU A 114 8.202 10.182 5.357 1.00 31.55 C ATOM 1732 CG LEU A 114 8.179 9.868 6.854 1.00 40.20 C ATOM 1733 CD1 LEU A 114 9.420 9.086 7.255 1.00 44.43 C ATOM 1734 CD2 LEU A 114 8.069 11.151 7.666 1.00 60.33 C ATOM 0 H LEU A 114 7.532 10.509 2.991 1.00 32.43 H new ATOM 0 HA LEU A 114 8.719 8.322 4.410 1.00 4.13 H new ATOM 0 HB2 LEU A 114 9.191 10.563 5.101 1.00 31.55 H new ATOM 0 HB3 LEU A 114 7.491 10.985 5.163 1.00 31.55 H new ATOM 0 HG LEU A 114 7.304 9.253 7.063 1.00 40.20 H new ATOM 0 HD11 LEU A 114 9.386 8.872 8.323 1.00 44.43 H new ATOM 0 HD12 LEU A 114 9.456 8.150 6.698 1.00 44.43 H new ATOM 0 HD13 LEU A 114 10.309 9.675 7.031 1.00 44.43 H new ATOM 0 HD21 LEU A 114 8.054 10.909 8.729 1.00 60.33 H new ATOM 0 HD22 LEU A 114 8.925 11.792 7.452 1.00 60.33 H new ATOM 0 HD23 LEU A 114 7.150 11.672 7.400 1.00 60.33 H new ATOM 1746 N VAL A 115 5.495 8.574 4.341 1.00 73.44 N ATOM 1747 CA VAL A 115 4.245 7.930 4.729 1.00 65.11 C ATOM 1748 C VAL A 115 4.295 6.429 4.465 1.00 4.12 C ATOM 1749 O VAL A 115 3.893 5.628 5.308 1.00 64.32 O ATOM 1750 CB VAL A 115 3.045 8.533 3.975 1.00 63.20 C ATOM 1751 CG1 VAL A 115 1.770 7.774 4.308 1.00 15.41 C ATOM 1752 CG2 VAL A 115 2.898 10.011 4.304 1.00 60.32 C ATOM 0 H VAL A 115 5.400 9.263 3.595 1.00 73.44 H new ATOM 0 HA VAL A 115 4.118 8.104 5.797 1.00 65.11 H new ATOM 0 HB VAL A 115 3.226 8.439 2.904 1.00 63.20 H new ATOM 0 HG11 VAL A 115 0.933 8.214 3.766 1.00 15.41 H new ATOM 0 HG12 VAL A 115 1.882 6.730 4.017 1.00 15.41 H new ATOM 0 HG13 VAL A 115 1.580 7.834 5.380 1.00 15.41 H new ATOM 0 HG21 VAL A 115 2.045 10.421 3.763 1.00 60.32 H new ATOM 0 HG22 VAL A 115 2.739 10.131 5.376 1.00 60.32 H new ATOM 0 HG23 VAL A 115 3.804 10.541 4.010 1.00 60.32 H new ATOM 1762 N GLU A 116 4.792 6.057 3.290 1.00 62.43 N ATOM 1763 CA GLU A 116 4.894 4.651 2.915 1.00 23.02 C ATOM 1764 C GLU A 116 6.162 4.025 3.490 1.00 12.44 C ATOM 1765 O GLU A 116 6.264 2.805 3.611 1.00 23.52 O ATOM 1766 CB GLU A 116 4.886 4.504 1.392 1.00 12.12 C ATOM 1767 CG GLU A 116 3.855 5.381 0.702 1.00 53.11 C ATOM 1768 CD GLU A 116 3.097 4.645 -0.386 1.00 62.10 C ATOM 1769 OE1 GLU A 116 2.563 3.553 -0.101 1.00 34.23 O ATOM 1770 OE2 GLU A 116 3.039 5.160 -1.522 1.00 1.11 O ATOM 0 H GLU A 116 5.130 6.708 2.582 1.00 62.43 H new ATOM 0 HA GLU A 116 4.031 4.128 3.328 1.00 23.02 H new ATOM 0 HB2 GLU A 116 5.876 4.749 1.006 1.00 12.12 H new ATOM 0 HB3 GLU A 116 4.694 3.462 1.137 1.00 12.12 H new ATOM 0 HG2 GLU A 116 3.148 5.755 1.442 1.00 53.11 H new ATOM 0 HG3 GLU A 116 4.353 6.249 0.269 1.00 53.11 H new ATOM 1777 N ARG A 117 7.125 4.871 3.843 1.00 55.01 N ATOM 1778 CA ARG A 117 8.386 4.402 4.403 1.00 30.15 C ATOM 1779 C ARG A 117 8.143 3.372 5.502 1.00 32.44 C ATOM 1780 O ARG A 117 8.791 2.326 5.541 1.00 10.32 O ATOM 1781 CB ARG A 117 9.189 5.578 4.961 1.00 5.12 C ATOM 1782 CG ARG A 117 10.448 5.887 4.167 1.00 25.54 C ATOM 1783 CD ARG A 117 11.667 5.986 5.072 1.00 71.21 C ATOM 1784 NE ARG A 117 12.149 4.671 5.488 1.00 55.24 N ATOM 1785 CZ ARG A 117 13.052 4.488 6.444 1.00 44.33 C ATOM 1786 NH1 ARG A 117 13.570 5.530 7.080 1.00 53.33 N ATOM 1787 NH2 ARG A 117 13.440 3.261 6.766 1.00 63.24 N ATOM 0 H ARG A 117 7.055 5.884 3.751 1.00 55.01 H new ATOM 0 HA ARG A 117 8.956 3.928 3.604 1.00 30.15 H new ATOM 0 HB2 ARG A 117 8.555 6.464 4.979 1.00 5.12 H new ATOM 0 HB3 ARG A 117 9.464 5.362 5.993 1.00 5.12 H new ATOM 0 HG2 ARG A 117 10.609 5.109 3.421 1.00 25.54 H new ATOM 0 HG3 ARG A 117 10.318 6.824 3.626 1.00 25.54 H new ATOM 0 HD2 ARG A 117 12.464 6.516 4.550 1.00 71.21 H new ATOM 0 HD3 ARG A 117 11.417 6.576 5.954 1.00 71.21 H new ATOM 0 HE ARG A 117 11.771 3.848 5.018 1.00 55.24 H new ATOM 0 HH11 ARG A 117 13.275 6.475 6.835 1.00 53.33 H new ATOM 0 HH12 ARG A 117 14.264 5.386 7.814 1.00 53.33 H new ATOM 0 HH21 ARG A 117 13.045 2.457 6.279 1.00 63.24 H new ATOM 0 HH22 ARG A 117 14.134 3.122 7.501 1.00 63.24 H new ATOM 1801 N ALA A 118 7.205 3.675 6.394 1.00 72.13 N ATOM 1802 CA ALA A 118 6.875 2.775 7.492 1.00 41.10 C ATOM 1803 C ALA A 118 5.867 1.719 7.052 1.00 21.44 C ATOM 1804 O ALA A 118 5.999 0.542 7.391 1.00 4.22 O ATOM 1805 CB ALA A 118 6.334 3.563 8.676 1.00 43.22 C ATOM 0 H ALA A 118 6.660 4.537 6.377 1.00 72.13 H new ATOM 0 HA ALA A 118 7.788 2.263 7.797 1.00 41.10 H new ATOM 0 HB1 ALA A 118 6.092 2.878 9.489 1.00 43.22 H new ATOM 0 HB2 ALA A 118 7.087 4.275 9.014 1.00 43.22 H new ATOM 0 HB3 ALA A 118 5.435 4.101 8.375 1.00 43.22 H new ATOM 1811 N ILE A 119 4.861 2.146 6.298 1.00 75.14 N ATOM 1812 CA ILE A 119 3.831 1.236 5.812 1.00 73.21 C ATOM 1813 C ILE A 119 4.448 0.035 5.103 1.00 50.10 C ATOM 1814 O ILE A 119 3.875 -1.054 5.092 1.00 22.44 O ATOM 1815 CB ILE A 119 2.862 1.945 4.847 1.00 10.13 C ATOM 1816 CG1 ILE A 119 2.206 3.143 5.538 1.00 64.05 C ATOM 1817 CG2 ILE A 119 1.805 0.972 4.347 1.00 63.40 C ATOM 1818 CD1 ILE A 119 1.544 4.105 4.577 1.00 15.41 C ATOM 0 H ILE A 119 4.737 3.117 6.010 1.00 75.14 H new ATOM 0 HA ILE A 119 3.276 0.894 6.685 1.00 73.21 H new ATOM 0 HB ILE A 119 3.428 2.308 3.989 1.00 10.13 H new ATOM 0 HG12 ILE A 119 1.462 2.781 6.247 1.00 64.05 H new ATOM 0 HG13 ILE A 119 2.961 3.679 6.114 1.00 64.05 H new ATOM 0 HG21 ILE A 119 1.128 1.488 3.666 1.00 63.40 H new ATOM 0 HG22 ILE A 119 2.288 0.148 3.822 1.00 63.40 H new ATOM 0 HG23 ILE A 119 1.240 0.582 5.194 1.00 63.40 H new ATOM 0 HD11 ILE A 119 1.100 4.929 5.135 1.00 15.41 H new ATOM 0 HD12 ILE A 119 2.288 4.496 3.883 1.00 15.41 H new ATOM 0 HD13 ILE A 119 0.766 3.584 4.019 1.00 15.41 H new ATOM 1830 N SER A 120 5.621 0.242 4.513 1.00 72.12 N ATOM 1831 CA SER A 120 6.316 -0.823 3.799 1.00 31.14 C ATOM 1832 C SER A 120 6.553 -2.023 4.711 1.00 31.04 C ATOM 1833 O SER A 120 6.479 -3.173 4.276 1.00 42.40 O ATOM 1834 CB SER A 120 7.650 -0.313 3.252 1.00 3.31 C ATOM 1835 OG SER A 120 8.566 -0.052 4.302 1.00 71.12 O ATOM 0 H SER A 120 6.110 1.137 4.515 1.00 72.12 H new ATOM 0 HA SER A 120 5.687 -1.139 2.967 1.00 31.14 H new ATOM 0 HB2 SER A 120 8.073 -1.051 2.571 1.00 3.31 H new ATOM 0 HB3 SER A 120 7.486 0.596 2.674 1.00 3.31 H new ATOM 0 HG SER A 120 8.335 0.797 4.734 1.00 71.12 H new ATOM 1841 N HIS A 121 6.838 -1.747 5.980 1.00 1.01 N ATOM 1842 CA HIS A 121 7.086 -2.803 6.955 1.00 33.02 C ATOM 1843 C HIS A 121 5.791 -3.525 7.315 1.00 15.54 C ATOM 1844 O HIS A 121 5.791 -4.727 7.582 1.00 44.35 O ATOM 1845 CB HIS A 121 7.727 -2.222 8.216 1.00 60.12 C ATOM 1846 CG HIS A 121 8.115 -3.260 9.223 1.00 24.21 C ATOM 1847 ND1 HIS A 121 9.404 -3.733 9.358 1.00 75.42 N ATOM 1848 CD2 HIS A 121 7.377 -3.915 10.149 1.00 73.41 C ATOM 1849 CE1 HIS A 121 9.440 -4.636 10.322 1.00 60.13 C ATOM 1850 NE2 HIS A 121 8.223 -4.765 10.818 1.00 11.34 N ATOM 0 H HIS A 121 6.903 -0.801 6.357 1.00 1.01 H new ATOM 0 HA HIS A 121 7.771 -3.523 6.507 1.00 33.02 H new ATOM 0 HB2 HIS A 121 8.612 -1.652 7.934 1.00 60.12 H new ATOM 0 HB3 HIS A 121 7.031 -1.522 8.678 1.00 60.12 H new ATOM 0 HD2 HIS A 121 6.319 -3.792 10.329 1.00 73.41 H new ATOM 0 HE1 HIS A 121 10.316 -5.177 10.649 1.00 60.13 H new ATOM 0 HE2 HIS A 121 7.955 -5.394 11.575 1.00 11.34 H new ATOM 1858 N TYR A 122 4.688 -2.783 7.322 1.00 24.14 N ATOM 1859 CA TYR A 122 3.387 -3.351 7.653 1.00 20.41 C ATOM 1860 C TYR A 122 2.555 -3.577 6.394 1.00 1.32 C ATOM 1861 O TYR A 122 1.403 -3.152 6.315 1.00 33.23 O ATOM 1862 CB TYR A 122 2.635 -2.432 8.617 1.00 44.53 C ATOM 1863 CG TYR A 122 3.483 -1.937 9.767 1.00 41.43 C ATOM 1864 CD1 TYR A 122 4.278 -0.805 9.632 1.00 10.25 C ATOM 1865 CD2 TYR A 122 3.490 -2.601 10.987 1.00 42.01 C ATOM 1866 CE1 TYR A 122 5.055 -0.349 10.680 1.00 32.11 C ATOM 1867 CE2 TYR A 122 4.263 -2.152 12.040 1.00 13.33 C ATOM 1868 CZ TYR A 122 5.043 -1.026 11.882 1.00 3.41 C ATOM 1869 OH TYR A 122 5.815 -0.576 12.929 1.00 43.24 O ATOM 0 H TYR A 122 4.670 -1.787 7.102 1.00 24.14 H new ATOM 0 HA TYR A 122 3.552 -4.314 8.135 1.00 20.41 H new ATOM 0 HB2 TYR A 122 2.252 -1.575 8.064 1.00 44.53 H new ATOM 0 HB3 TYR A 122 1.772 -2.966 9.016 1.00 44.53 H new ATOM 0 HD1 TYR A 122 4.289 -0.273 8.692 1.00 10.25 H new ATOM 0 HD2 TYR A 122 2.881 -3.483 11.114 1.00 42.01 H new ATOM 0 HE1 TYR A 122 5.668 0.532 10.559 1.00 32.11 H new ATOM 0 HE2 TYR A 122 4.256 -2.680 12.982 1.00 13.33 H new ATOM 0 HH TYR A 122 5.691 -1.164 13.703 1.00 43.24 H new ATOM 1879 N GLN A 123 3.149 -4.248 5.413 1.00 71.21 N ATOM 1880 CA GLN A 123 2.463 -4.530 4.157 1.00 24.43 C ATOM 1881 C GLN A 123 1.115 -5.195 4.411 1.00 75.40 C ATOM 1882 O GLN A 123 0.959 -5.961 5.362 1.00 51.32 O ATOM 1883 CB GLN A 123 3.328 -5.427 3.270 1.00 44.02 C ATOM 1884 CG GLN A 123 3.600 -6.797 3.870 1.00 40.00 C ATOM 1885 CD GLN A 123 5.071 -7.161 3.851 1.00 64.33 C ATOM 1886 OE1 GLN A 123 5.885 -6.541 4.535 1.00 5.12 O ATOM 1887 NE2 GLN A 123 5.421 -8.173 3.064 1.00 11.42 N ATOM 0 H GLN A 123 4.103 -4.606 5.463 1.00 71.21 H new ATOM 0 HA GLN A 123 2.290 -3.583 3.646 1.00 24.43 H new ATOM 0 HB2 GLN A 123 2.836 -5.553 2.306 1.00 44.02 H new ATOM 0 HB3 GLN A 123 4.278 -4.928 3.080 1.00 44.02 H new ATOM 0 HG2 GLN A 123 3.238 -6.818 4.898 1.00 40.00 H new ATOM 0 HG3 GLN A 123 3.036 -7.549 3.318 1.00 40.00 H new ATOM 0 HE21 GLN A 123 4.713 -8.660 2.514 1.00 11.42 H new ATOM 0 HE22 GLN A 123 6.397 -8.463 3.010 1.00 11.42 H new ATOM 1896 N GLU A 124 0.143 -4.897 3.554 1.00 33.23 N ATOM 1897 CA GLU A 124 -1.193 -5.466 3.688 1.00 54.14 C ATOM 1898 C GLU A 124 -1.760 -5.203 5.080 1.00 71.21 C ATOM 1899 O GLU A 124 -2.807 -5.737 5.445 1.00 10.32 O ATOM 1900 CB GLU A 124 -1.161 -6.971 3.414 1.00 63.00 C ATOM 1901 CG GLU A 124 -2.073 -7.403 2.279 1.00 72.25 C ATOM 1902 CD GLU A 124 -2.804 -8.698 2.578 1.00 41.33 C ATOM 1903 OE1 GLU A 124 -3.849 -8.644 3.260 1.00 61.44 O ATOM 1904 OE2 GLU A 124 -2.331 -9.763 2.131 1.00 72.52 O ATOM 0 H GLU A 124 0.256 -4.266 2.761 1.00 33.23 H new ATOM 0 HA GLU A 124 -1.840 -4.984 2.955 1.00 54.14 H new ATOM 0 HB2 GLU A 124 -0.139 -7.267 3.180 1.00 63.00 H new ATOM 0 HB3 GLU A 124 -1.447 -7.503 4.321 1.00 63.00 H new ATOM 0 HG2 GLU A 124 -2.801 -6.616 2.084 1.00 72.25 H new ATOM 0 HG3 GLU A 124 -1.483 -7.524 1.370 1.00 72.25 H new TER 1911 GLU A 124