USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 915 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -138:sc= -0.184 USER MOD Single : A 31 THR OG1 : rot 156:sc= 0.176 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.12 K(o=-2.1,f=-6.8!) USER MOD Single : A 37 ASN : amide:sc= -0.0784 K(o=-0.078,f=-1.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= -0.173 (180deg=-0.835) USER MOD Single : A 47 THR OG1 : rot 12:sc= 0.129! USER MOD Single : A 53 SER OG : rot 108:sc= 0.355 USER MOD Single : A 57 MET CE :methyl 141:sc= -0.0836 (180deg=-3.06!) USER MOD Single : A 60 MET CE :methyl -165:sc= -2.13 (180deg=-3.18!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.35! C(o=-2.3!,f=-5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.99 K(o=-2,f=-2.8!) USER MOD Single : A 75 MET CE :methyl -165:sc= -0.0037 (180deg=-0.565) USER MOD Single : A 81 MET CE :methyl -139:sc= -4.35! (180deg=-7.44!) USER MOD Single : A 82 THR OG1 : rot 33:sc= 0.259 USER MOD Single : A 84 HIS : no HD1:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 85 SER OG : rot -160:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.059 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.2!) USER MOD Single : A 96 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 101 TYR OH : rot -119:sc= 0.142 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 -0.402 4.623 -1.659 1.00 0.22 N ATOM 36 CA ARG A 3 -1.398 5.442 -0.978 1.00 23.11 C ATOM 37 C ARG A 3 -1.615 4.956 0.452 1.00 12.02 C ATOM 38 O ARG A 3 -1.181 3.866 0.821 1.00 70.30 O ATOM 39 CB ARG A 3 -2.722 5.415 -1.744 1.00 24.01 C ATOM 40 CG ARG A 3 -3.613 6.613 -1.462 1.00 12.15 C ATOM 41 CD ARG A 3 -4.754 6.250 -0.525 1.00 34.34 C ATOM 42 NE ARG A 3 -6.039 6.203 -1.219 1.00 4.04 N ATOM 43 CZ ARG A 3 -7.114 5.594 -0.733 1.00 75.42 C ATOM 44 NH1 ARG A 3 -7.061 4.983 0.442 1.00 1.04 N ATOM 45 NH2 ARG A 3 -8.247 5.595 -1.424 1.00 73.52 N ATOM 0 HA ARG A 3 -1.028 6.467 -0.943 1.00 23.11 H new ATOM 0 HB2 ARG A 3 -2.513 5.372 -2.813 1.00 24.01 H new ATOM 0 HB3 ARG A 3 -3.262 4.503 -1.488 1.00 24.01 H new ATOM 0 HG2 ARG A 3 -3.019 7.414 -1.021 1.00 12.15 H new ATOM 0 HG3 ARG A 3 -4.018 6.995 -2.399 1.00 12.15 H new ATOM 0 HD2 ARG A 3 -4.553 5.281 -0.068 1.00 34.34 H new ATOM 0 HD3 ARG A 3 -4.805 6.979 0.283 1.00 34.34 H new ATOM 0 HE ARG A 3 -6.114 6.663 -2.126 1.00 4.04 H new ATOM 0 HH11 ARG A 3 -6.192 4.980 0.976 1.00 1.04 H new ATOM 0 HH12 ARG A 3 -7.889 4.516 0.812 1.00 1.04 H new ATOM 0 HH21 ARG A 3 -8.292 6.064 -2.329 1.00 73.52 H new ATOM 0 HH22 ARG A 3 -9.073 5.127 -1.050 1.00 73.52 H new ATOM 59 N GLY A 4 -2.291 5.774 1.254 1.00 44.33 N ATOM 60 CA GLY A 4 -2.553 5.411 2.634 1.00 73.11 C ATOM 61 C GLY A 4 -3.106 6.568 3.443 1.00 62.41 C ATOM 62 O GLY A 4 -3.052 7.719 3.009 1.00 72.33 O ATOM 0 H GLY A 4 -2.662 6.681 0.972 1.00 44.33 H new ATOM 0 HA2 GLY A 4 -3.261 4.582 2.660 1.00 73.11 H new ATOM 0 HA3 GLY A 4 -1.631 5.057 3.095 1.00 73.11 H new ATOM 66 N ILE A 5 -3.639 6.262 4.621 1.00 54.23 N ATOM 67 CA ILE A 5 -4.205 7.286 5.491 1.00 24.43 C ATOM 68 C ILE A 5 -3.112 8.176 6.074 1.00 54.10 C ATOM 69 O ILE A 5 -2.043 7.698 6.453 1.00 50.10 O ATOM 70 CB ILE A 5 -5.012 6.661 6.645 1.00 64.24 C ATOM 71 CG1 ILE A 5 -6.324 6.076 6.119 1.00 30.53 C ATOM 72 CG2 ILE A 5 -5.282 7.698 7.724 1.00 33.13 C ATOM 73 CD1 ILE A 5 -7.189 5.465 7.200 1.00 41.31 C ATOM 0 H ILE A 5 -3.691 5.314 4.995 1.00 54.23 H new ATOM 0 HA ILE A 5 -4.873 7.889 4.876 1.00 24.43 H new ATOM 0 HB ILE A 5 -4.426 5.853 7.084 1.00 64.24 H new ATOM 0 HG12 ILE A 5 -6.887 6.862 5.615 1.00 30.53 H new ATOM 0 HG13 ILE A 5 -6.099 5.315 5.371 1.00 30.53 H new ATOM 0 HG21 ILE A 5 -5.853 7.242 8.533 1.00 33.13 H new ATOM 0 HG22 ILE A 5 -4.335 8.072 8.114 1.00 33.13 H new ATOM 0 HG23 ILE A 5 -5.851 8.525 7.300 1.00 33.13 H new ATOM 0 HD11 ILE A 5 -8.102 5.070 6.755 1.00 41.31 H new ATOM 0 HD12 ILE A 5 -6.644 4.657 7.688 1.00 41.31 H new ATOM 0 HD13 ILE A 5 -7.444 6.227 7.936 1.00 41.31 H new ATOM 85 N VAL A 6 -3.390 9.474 6.144 1.00 5.22 N ATOM 86 CA VAL A 6 -2.432 10.432 6.684 1.00 50.32 C ATOM 87 C VAL A 6 -3.120 11.442 7.596 1.00 25.11 C ATOM 88 O VAL A 6 -3.766 12.379 7.126 1.00 23.54 O ATOM 89 CB VAL A 6 -1.700 11.188 5.559 1.00 10.31 C ATOM 90 CG1 VAL A 6 -0.762 12.235 6.141 1.00 30.44 C ATOM 91 CG2 VAL A 6 -0.941 10.215 4.670 1.00 5.12 C ATOM 0 H VAL A 6 -4.270 9.886 5.834 1.00 5.22 H new ATOM 0 HA VAL A 6 -1.705 9.862 7.262 1.00 50.32 H new ATOM 0 HB VAL A 6 -2.442 11.701 4.947 1.00 10.31 H new ATOM 0 HG11 VAL A 6 -0.254 12.759 5.331 1.00 30.44 H new ATOM 0 HG12 VAL A 6 -1.336 12.949 6.731 1.00 30.44 H new ATOM 0 HG13 VAL A 6 -0.023 11.748 6.778 1.00 30.44 H new ATOM 0 HG21 VAL A 6 -0.430 10.766 3.881 1.00 5.12 H new ATOM 0 HG22 VAL A 6 -0.208 9.673 5.267 1.00 5.12 H new ATOM 0 HG23 VAL A 6 -1.641 9.508 4.224 1.00 5.12 H new ATOM 101 N TRP A 7 -2.975 11.245 8.901 1.00 14.15 N ATOM 102 CA TRP A 7 -3.583 12.139 9.881 1.00 45.53 C ATOM 103 C TRP A 7 -2.544 13.087 10.470 1.00 42.52 C ATOM 104 O TRP A 7 -1.478 12.659 10.913 1.00 34.42 O ATOM 105 CB TRP A 7 -4.245 11.332 10.998 1.00 74.34 C ATOM 106 CG TRP A 7 -5.443 10.556 10.539 1.00 15.43 C ATOM 107 CD1 TRP A 7 -5.901 10.437 9.258 1.00 31.52 C ATOM 108 CD2 TRP A 7 -6.337 9.796 11.359 1.00 21.45 C ATOM 109 NE1 TRP A 7 -7.025 9.647 9.233 1.00 74.15 N ATOM 110 CE2 TRP A 7 -7.313 9.241 10.509 1.00 62.54 C ATOM 111 CE3 TRP A 7 -6.407 9.527 12.729 1.00 5.41 C ATOM 112 CZ2 TRP A 7 -8.344 8.436 10.985 1.00 73.41 C ATOM 113 CZ3 TRP A 7 -7.431 8.729 13.200 1.00 20.33 C ATOM 114 CH2 TRP A 7 -8.388 8.190 12.330 1.00 32.33 C ATOM 0 H TRP A 7 -2.442 10.475 9.306 1.00 14.15 H new ATOM 0 HA TRP A 7 -4.343 12.732 9.372 1.00 45.53 H new ATOM 0 HB2 TRP A 7 -3.514 10.642 11.421 1.00 74.34 H new ATOM 0 HB3 TRP A 7 -4.544 12.009 11.798 1.00 74.34 H new ATOM 0 HD1 TRP A 7 -5.447 10.896 8.392 1.00 31.52 H new ATOM 0 HE1 TRP A 7 -7.559 9.402 8.399 1.00 74.15 H new ATOM 0 HE3 TRP A 7 -5.673 9.936 13.407 1.00 5.41 H new ATOM 0 HZ2 TRP A 7 -9.083 8.020 10.316 1.00 73.41 H new ATOM 0 HZ3 TRP A 7 -7.495 8.517 14.257 1.00 20.33 H new ATOM 0 HH2 TRP A 7 -9.176 7.568 12.729 1.00 32.33 H new ATOM 125 N VAL A 8 -2.861 14.378 10.472 1.00 45.54 N ATOM 126 CA VAL A 8 -1.955 15.387 11.008 1.00 45.11 C ATOM 127 C VAL A 8 -2.700 16.382 11.891 1.00 61.33 C ATOM 128 O VAL A 8 -3.484 17.195 11.403 1.00 53.34 O ATOM 129 CB VAL A 8 -1.238 16.154 9.881 1.00 53.44 C ATOM 130 CG1 VAL A 8 -0.120 17.015 10.447 1.00 5.14 C ATOM 131 CG2 VAL A 8 -0.701 15.187 8.836 1.00 12.43 C ATOM 0 H VAL A 8 -3.738 14.750 10.108 1.00 45.54 H new ATOM 0 HA VAL A 8 -1.213 14.859 11.607 1.00 45.11 H new ATOM 0 HB VAL A 8 -1.960 16.812 9.397 1.00 53.44 H new ATOM 0 HG11 VAL A 8 0.374 17.549 9.635 1.00 5.14 H new ATOM 0 HG12 VAL A 8 -0.536 17.733 11.153 1.00 5.14 H new ATOM 0 HG13 VAL A 8 0.604 16.381 10.958 1.00 5.14 H new ATOM 0 HG21 VAL A 8 -0.198 15.746 8.047 1.00 12.43 H new ATOM 0 HG22 VAL A 8 0.006 14.502 9.303 1.00 12.43 H new ATOM 0 HG23 VAL A 8 -1.527 14.619 8.408 1.00 12.43 H new ATOM 141 N VAL A 9 -2.449 16.311 13.194 1.00 13.22 N ATOM 142 CA VAL A 9 -3.095 17.207 14.146 1.00 34.45 C ATOM 143 C VAL A 9 -2.147 18.316 14.588 1.00 33.21 C ATOM 144 O VAL A 9 -1.167 18.066 15.290 1.00 34.12 O ATOM 145 CB VAL A 9 -3.589 16.443 15.390 1.00 64.44 C ATOM 146 CG1 VAL A 9 -2.426 15.759 16.092 1.00 21.34 C ATOM 147 CG2 VAL A 9 -4.317 17.383 16.338 1.00 71.20 C ATOM 0 H VAL A 9 -1.803 15.643 13.615 1.00 13.22 H new ATOM 0 HA VAL A 9 -3.951 17.647 13.635 1.00 34.45 H new ATOM 0 HB VAL A 9 -4.291 15.674 15.068 1.00 64.44 H new ATOM 0 HG11 VAL A 9 -2.793 15.224 16.968 1.00 21.34 H new ATOM 0 HG12 VAL A 9 -1.952 15.054 15.409 1.00 21.34 H new ATOM 0 HG13 VAL A 9 -1.698 16.508 16.403 1.00 21.34 H new ATOM 0 HG21 VAL A 9 -4.659 16.827 17.211 1.00 71.20 H new ATOM 0 HG22 VAL A 9 -3.640 18.176 16.656 1.00 71.20 H new ATOM 0 HG23 VAL A 9 -5.175 17.821 15.828 1.00 71.20 H new ATOM 157 N ASP A 10 -2.446 19.542 14.173 1.00 62.33 N ATOM 158 CA ASP A 10 -1.621 20.691 14.527 1.00 41.03 C ATOM 159 C ASP A 10 -2.397 21.992 14.349 1.00 11.31 C ATOM 160 O ASP A 10 -3.419 22.028 13.664 1.00 14.31 O ATOM 161 CB ASP A 10 -0.353 20.718 13.672 1.00 41.31 C ATOM 162 CG ASP A 10 -0.656 20.737 12.187 1.00 73.34 C ATOM 163 OD1 ASP A 10 -0.809 19.646 11.599 1.00 34.42 O ATOM 164 OD2 ASP A 10 -0.740 21.842 11.611 1.00 3.23 O ATOM 0 H ASP A 10 -3.253 19.766 13.591 1.00 62.33 H new ATOM 0 HA ASP A 10 -1.341 20.597 15.576 1.00 41.03 H new ATOM 0 HB2 ASP A 10 0.237 21.597 13.931 1.00 41.31 H new ATOM 0 HB3 ASP A 10 0.257 19.845 13.904 1.00 41.31 H new ATOM 169 N ASP A 11 -1.905 23.058 14.971 1.00 33.13 N ATOM 170 CA ASP A 11 -2.552 24.362 14.882 1.00 35.32 C ATOM 171 C ASP A 11 -1.734 25.317 14.019 1.00 73.33 C ATOM 172 O ASP A 11 -0.996 26.157 14.533 1.00 23.43 O ATOM 173 CB ASP A 11 -2.746 24.955 16.278 1.00 2.45 C ATOM 174 CG ASP A 11 -4.164 24.789 16.787 1.00 53.41 C ATOM 175 OD1 ASP A 11 -5.060 25.503 16.289 1.00 2.23 O ATOM 176 OD2 ASP A 11 -4.379 23.946 17.683 1.00 0.21 O ATOM 0 H ASP A 11 -1.060 23.045 15.542 1.00 33.13 H new ATOM 0 HA ASP A 11 -3.527 24.225 14.415 1.00 35.32 H new ATOM 0 HB2 ASP A 11 -2.056 24.475 16.972 1.00 2.45 H new ATOM 0 HB3 ASP A 11 -2.492 26.015 16.258 1.00 2.45 H new ATOM 181 N ASP A 12 -1.870 25.181 12.704 1.00 13.42 N ATOM 182 CA ASP A 12 -1.144 26.032 11.769 1.00 43.12 C ATOM 183 C ASP A 12 -1.758 25.955 10.374 1.00 24.44 C ATOM 184 O ASP A 12 -2.032 24.868 9.866 1.00 71.23 O ATOM 185 CB ASP A 12 0.329 25.625 11.714 1.00 25.43 C ATOM 186 CG ASP A 12 1.254 26.816 11.561 1.00 4.13 C ATOM 187 OD1 ASP A 12 1.188 27.731 12.409 1.00 62.42 O ATOM 188 OD2 ASP A 12 2.044 26.834 10.594 1.00 51.44 O ATOM 0 H ASP A 12 -2.476 24.490 12.262 1.00 13.42 H new ATOM 0 HA ASP A 12 -1.216 27.061 12.122 1.00 43.12 H new ATOM 0 HB2 ASP A 12 0.587 25.083 12.624 1.00 25.43 H new ATOM 0 HB3 ASP A 12 0.483 24.940 10.880 1.00 25.43 H new ATOM 193 N SER A 13 -1.971 27.115 9.762 1.00 34.12 N ATOM 194 CA SER A 13 -2.558 27.179 8.428 1.00 24.25 C ATOM 195 C SER A 13 -1.523 26.828 7.363 1.00 34.11 C ATOM 196 O SER A 13 -1.871 26.417 6.256 1.00 13.01 O ATOM 197 CB SER A 13 -3.125 28.575 8.164 1.00 32.32 C ATOM 198 OG SER A 13 -2.089 29.538 8.074 1.00 75.31 O ATOM 0 H SER A 13 -1.746 28.023 10.168 1.00 34.12 H new ATOM 0 HA SER A 13 -3.367 26.451 8.378 1.00 24.25 H new ATOM 0 HB2 SER A 13 -3.701 28.568 7.238 1.00 32.32 H new ATOM 0 HB3 SER A 13 -3.812 28.849 8.965 1.00 32.32 H new ATOM 0 HG SER A 13 -2.477 30.421 7.903 1.00 75.31 H new ATOM 204 N SER A 14 -0.250 26.993 7.706 1.00 10.34 N ATOM 205 CA SER A 14 0.836 26.698 6.779 1.00 1.12 C ATOM 206 C SER A 14 1.094 25.196 6.706 1.00 44.35 C ATOM 207 O SER A 14 0.978 24.587 5.642 1.00 42.13 O ATOM 208 CB SER A 14 2.112 27.426 7.207 1.00 51.13 C ATOM 209 OG SER A 14 2.873 27.825 6.080 1.00 24.12 O ATOM 0 H SER A 14 0.055 27.329 8.619 1.00 10.34 H new ATOM 0 HA SER A 14 0.542 27.047 5.789 1.00 1.12 H new ATOM 0 HB2 SER A 14 1.853 28.301 7.803 1.00 51.13 H new ATOM 0 HB3 SER A 14 2.711 26.774 7.842 1.00 51.13 H new ATOM 0 HG SER A 14 3.682 28.289 6.380 1.00 24.12 H new ATOM 215 N ILE A 15 1.445 24.606 7.843 1.00 3.31 N ATOM 216 CA ILE A 15 1.719 23.176 7.909 1.00 42.14 C ATOM 217 C ILE A 15 0.528 22.365 7.410 1.00 61.01 C ATOM 218 O ILE A 15 0.695 21.317 6.787 1.00 64.53 O ATOM 219 CB ILE A 15 2.063 22.734 9.343 1.00 33.22 C ATOM 220 CG1 ILE A 15 3.128 23.654 9.943 1.00 63.24 C ATOM 221 CG2 ILE A 15 2.537 21.288 9.352 1.00 2.35 C ATOM 222 CD1 ILE A 15 4.366 23.784 9.083 1.00 4.34 C ATOM 0 H ILE A 15 1.546 25.096 8.732 1.00 3.31 H new ATOM 0 HA ILE A 15 2.578 22.989 7.265 1.00 42.14 H new ATOM 0 HB ILE A 15 1.164 22.805 9.955 1.00 33.22 H new ATOM 0 HG12 ILE A 15 2.697 24.643 10.098 1.00 63.24 H new ATOM 0 HG13 ILE A 15 3.415 23.274 10.924 1.00 63.24 H new ATOM 0 HG21 ILE A 15 2.776 20.990 10.373 1.00 2.35 H new ATOM 0 HG22 ILE A 15 1.749 20.644 8.961 1.00 2.35 H new ATOM 0 HG23 ILE A 15 3.426 21.193 8.728 1.00 2.35 H new ATOM 0 HD11 ILE A 15 5.078 24.451 9.569 1.00 4.34 H new ATOM 0 HD12 ILE A 15 4.821 22.802 8.949 1.00 4.34 H new ATOM 0 HD13 ILE A 15 4.092 24.193 8.110 1.00 4.34 H new ATOM 234 N ARG A 16 -0.674 22.858 7.687 1.00 14.20 N ATOM 235 CA ARG A 16 -1.894 22.180 7.266 1.00 31.40 C ATOM 236 C ARG A 16 -2.120 22.348 5.766 1.00 30.04 C ATOM 237 O ARG A 16 -2.711 21.485 5.117 1.00 22.11 O ATOM 238 CB ARG A 16 -3.098 22.723 8.038 1.00 1.01 C ATOM 239 CG ARG A 16 -3.168 22.238 9.477 1.00 3.40 C ATOM 240 CD ARG A 16 -4.185 21.120 9.639 1.00 13.14 C ATOM 241 NE ARG A 16 -5.214 21.454 10.621 1.00 51.54 N ATOM 242 CZ ARG A 16 -6.249 22.245 10.360 1.00 41.52 C ATOM 243 NH1 ARG A 16 -6.392 22.780 9.155 1.00 41.10 N ATOM 244 NH2 ARG A 16 -7.144 22.503 11.305 1.00 22.32 N ATOM 0 H ARG A 16 -0.829 23.725 8.201 1.00 14.20 H new ATOM 0 HA ARG A 16 -1.782 21.118 7.482 1.00 31.40 H new ATOM 0 HB2 ARG A 16 -3.061 23.812 8.032 1.00 1.01 H new ATOM 0 HB3 ARG A 16 -4.012 22.432 7.520 1.00 1.01 H new ATOM 0 HG2 ARG A 16 -2.186 21.886 9.792 1.00 3.40 H new ATOM 0 HG3 ARG A 16 -3.433 23.070 10.130 1.00 3.40 H new ATOM 0 HD2 ARG A 16 -4.655 20.915 8.677 1.00 13.14 H new ATOM 0 HD3 ARG A 16 -3.674 20.207 9.945 1.00 13.14 H new ATOM 0 HE ARG A 16 -5.133 21.058 11.558 1.00 51.54 H new ATOM 0 HH11 ARG A 16 -5.706 22.585 8.426 1.00 41.10 H new ATOM 0 HH12 ARG A 16 -7.188 23.387 8.958 1.00 41.10 H new ATOM 0 HH21 ARG A 16 -7.038 22.094 12.233 1.00 22.32 H new ATOM 0 HH22 ARG A 16 -7.938 23.111 11.103 1.00 22.32 H new ATOM 258 N TRP A 17 -1.647 23.464 5.224 1.00 63.10 N ATOM 259 CA TRP A 17 -1.798 23.746 3.801 1.00 64.52 C ATOM 260 C TRP A 17 -0.803 22.935 2.977 1.00 10.11 C ATOM 261 O TRP A 17 -1.192 22.156 2.106 1.00 0.45 O ATOM 262 CB TRP A 17 -1.604 25.239 3.532 1.00 32.21 C ATOM 263 CG TRP A 17 -1.340 25.554 2.091 1.00 61.42 C ATOM 264 CD1 TRP A 17 -2.250 25.556 1.072 1.00 24.12 C ATOM 265 CD2 TRP A 17 -0.081 25.910 1.508 1.00 15.14 C ATOM 266 NE1 TRP A 17 -1.632 25.892 -0.108 1.00 54.25 N ATOM 267 CE2 TRP A 17 -0.303 26.115 0.132 1.00 4.34 C ATOM 268 CE3 TRP A 17 1.210 26.078 2.015 1.00 12.03 C ATOM 269 CZ2 TRP A 17 0.720 26.478 -0.740 1.00 5.04 C ATOM 270 CZ3 TRP A 17 2.224 26.438 1.148 1.00 21.35 C ATOM 271 CH2 TRP A 17 1.975 26.635 -0.216 1.00 50.42 C ATOM 0 H TRP A 17 -1.156 24.188 5.748 1.00 63.10 H new ATOM 0 HA TRP A 17 -2.807 23.459 3.504 1.00 64.52 H new ATOM 0 HB2 TRP A 17 -2.494 25.778 3.857 1.00 32.21 H new ATOM 0 HB3 TRP A 17 -0.772 25.604 4.135 1.00 32.21 H new ATOM 0 HD1 TRP A 17 -3.300 25.327 1.178 1.00 24.12 H new ATOM 0 HE1 TRP A 17 -2.090 25.964 -1.017 1.00 54.25 H new ATOM 0 HE3 TRP A 17 1.412 25.929 3.065 1.00 12.03 H new ATOM 0 HZ2 TRP A 17 0.530 26.630 -1.792 1.00 5.04 H new ATOM 0 HZ3 TRP A 17 3.226 26.570 1.529 1.00 21.35 H new ATOM 0 HH2 TRP A 17 2.789 26.916 -0.867 1.00 50.42 H new ATOM 282 N VAL A 18 0.483 23.123 3.257 1.00 32.23 N ATOM 283 CA VAL A 18 1.533 22.408 2.543 1.00 63.34 C ATOM 284 C VAL A 18 1.250 20.910 2.503 1.00 54.32 C ATOM 285 O VAL A 18 1.546 20.237 1.515 1.00 62.00 O ATOM 286 CB VAL A 18 2.911 22.641 3.190 1.00 64.12 C ATOM 287 CG1 VAL A 18 3.475 23.991 2.774 1.00 0.22 C ATOM 288 CG2 VAL A 18 2.812 22.539 4.704 1.00 24.44 C ATOM 0 H VAL A 18 0.822 23.765 3.974 1.00 32.23 H new ATOM 0 HA VAL A 18 1.546 22.800 1.526 1.00 63.34 H new ATOM 0 HB VAL A 18 3.593 21.866 2.840 1.00 64.12 H new ATOM 0 HG11 VAL A 18 4.449 24.138 3.241 1.00 0.22 H new ATOM 0 HG12 VAL A 18 3.584 24.021 1.690 1.00 0.22 H new ATOM 0 HG13 VAL A 18 2.797 24.783 3.093 1.00 0.22 H new ATOM 0 HG21 VAL A 18 3.795 22.706 5.145 1.00 24.44 H new ATOM 0 HG22 VAL A 18 2.115 23.291 5.075 1.00 24.44 H new ATOM 0 HG23 VAL A 18 2.455 21.547 4.979 1.00 24.44 H new ATOM 298 N LEU A 19 0.673 20.394 3.583 1.00 41.24 N ATOM 299 CA LEU A 19 0.348 18.975 3.672 1.00 72.11 C ATOM 300 C LEU A 19 -0.714 18.594 2.645 1.00 64.11 C ATOM 301 O LEU A 19 -0.495 17.717 1.810 1.00 55.14 O ATOM 302 CB LEU A 19 -0.142 18.631 5.080 1.00 41.42 C ATOM 303 CG LEU A 19 0.900 18.033 6.025 1.00 1.05 C ATOM 304 CD1 LEU A 19 0.320 17.864 7.421 1.00 73.51 C ATOM 305 CD2 LEU A 19 1.404 16.701 5.490 1.00 73.41 C ATOM 0 H LEU A 19 0.421 20.937 4.409 1.00 41.24 H new ATOM 0 HA LEU A 19 1.253 18.406 3.460 1.00 72.11 H new ATOM 0 HB2 LEU A 19 -0.540 19.538 5.536 1.00 41.42 H new ATOM 0 HB3 LEU A 19 -0.971 17.928 4.993 1.00 41.42 H new ATOM 0 HG LEU A 19 1.744 18.720 6.085 1.00 1.05 H new ATOM 0 HD11 LEU A 19 1.076 17.437 8.080 1.00 73.51 H new ATOM 0 HD12 LEU A 19 0.010 18.835 7.806 1.00 73.51 H new ATOM 0 HD13 LEU A 19 -0.542 17.198 7.379 1.00 73.51 H new ATOM 0 HD21 LEU A 19 2.145 16.290 6.176 1.00 73.41 H new ATOM 0 HD22 LEU A 19 0.569 16.006 5.399 1.00 73.41 H new ATOM 0 HD23 LEU A 19 1.859 16.851 4.511 1.00 73.41 H new ATOM 317 N GLU A 20 -1.862 19.261 2.713 1.00 63.43 N ATOM 318 CA GLU A 20 -2.956 18.992 1.787 1.00 31.12 C ATOM 319 C GLU A 20 -2.474 19.058 0.341 1.00 52.52 C ATOM 320 O GLU A 20 -2.771 18.176 -0.465 1.00 11.03 O ATOM 321 CB GLU A 20 -4.094 19.992 2.004 1.00 62.22 C ATOM 322 CG GLU A 20 -5.398 19.583 1.341 1.00 73.33 C ATOM 323 CD GLU A 20 -6.615 20.130 2.061 1.00 75.51 C ATOM 324 OE1 GLU A 20 -6.815 19.776 3.242 1.00 55.14 O ATOM 325 OE2 GLU A 20 -7.368 20.912 1.443 1.00 70.42 O ATOM 0 H GLU A 20 -2.058 19.990 3.398 1.00 63.43 H new ATOM 0 HA GLU A 20 -3.325 17.985 1.982 1.00 31.12 H new ATOM 0 HB2 GLU A 20 -4.262 20.112 3.074 1.00 62.22 H new ATOM 0 HB3 GLU A 20 -3.790 20.965 1.619 1.00 62.22 H new ATOM 0 HG2 GLU A 20 -5.402 19.934 0.309 1.00 73.33 H new ATOM 0 HG3 GLU A 20 -5.459 18.495 1.308 1.00 73.33 H new ATOM 332 N ARG A 21 -1.730 20.111 0.019 1.00 2.43 N ATOM 333 CA ARG A 21 -1.208 20.295 -1.330 1.00 31.13 C ATOM 334 C ARG A 21 -0.341 19.109 -1.743 1.00 42.51 C ATOM 335 O ARG A 21 -0.157 18.847 -2.931 1.00 61.32 O ATOM 336 CB ARG A 21 -0.396 21.589 -1.414 1.00 30.42 C ATOM 337 CG ARG A 21 -1.231 22.845 -1.228 1.00 20.01 C ATOM 338 CD ARG A 21 -1.269 23.682 -2.497 1.00 65.21 C ATOM 339 NE ARG A 21 -2.588 24.263 -2.731 1.00 22.14 N ATOM 340 CZ ARG A 21 -2.887 25.004 -3.791 1.00 41.44 C ATOM 341 NH1 ARG A 21 -1.965 25.253 -4.712 1.00 13.34 N ATOM 342 NH2 ARG A 21 -4.110 25.498 -3.934 1.00 13.23 N ATOM 0 H ARG A 21 -1.475 20.850 0.674 1.00 2.43 H new ATOM 0 HA ARG A 21 -2.054 20.361 -2.014 1.00 31.13 H new ATOM 0 HB2 ARG A 21 0.386 21.567 -0.655 1.00 30.42 H new ATOM 0 HB3 ARG A 21 0.101 21.634 -2.383 1.00 30.42 H new ATOM 0 HG2 ARG A 21 -2.246 22.569 -0.942 1.00 20.01 H new ATOM 0 HG3 ARG A 21 -0.820 23.439 -0.411 1.00 20.01 H new ATOM 0 HD2 ARG A 21 -0.529 24.479 -2.427 1.00 65.21 H new ATOM 0 HD3 ARG A 21 -0.990 23.062 -3.349 1.00 65.21 H new ATOM 0 HE ARG A 21 -3.320 24.090 -2.042 1.00 22.14 H new ATOM 0 HH11 ARG A 21 -1.024 24.875 -4.607 1.00 13.34 H new ATOM 0 HH12 ARG A 21 -2.198 25.823 -5.525 1.00 13.34 H new ATOM 0 HH21 ARG A 21 -4.822 25.309 -3.229 1.00 13.23 H new ATOM 0 HH22 ARG A 21 -4.338 26.067 -4.749 1.00 13.23 H new ATOM 356 N ALA A 22 0.190 18.398 -0.754 1.00 61.11 N ATOM 357 CA ALA A 22 1.036 17.240 -1.015 1.00 5.22 C ATOM 358 C ALA A 22 0.204 15.969 -1.141 1.00 20.22 C ATOM 359 O ALA A 22 0.238 15.292 -2.169 1.00 72.41 O ATOM 360 CB ALA A 22 2.075 17.087 0.087 1.00 73.32 C ATOM 0 H ALA A 22 0.049 18.603 0.235 1.00 61.11 H new ATOM 0 HA ALA A 22 1.549 17.402 -1.963 1.00 5.22 H new ATOM 0 HB1 ALA A 22 2.700 16.218 -0.120 1.00 73.32 H new ATOM 0 HB2 ALA A 22 2.697 17.981 0.127 1.00 73.32 H new ATOM 0 HB3 ALA A 22 1.572 16.952 1.045 1.00 73.32 H new ATOM 366 N LEU A 23 -0.542 15.649 -0.089 1.00 50.31 N ATOM 367 CA LEU A 23 -1.384 14.458 -0.082 1.00 24.43 C ATOM 368 C LEU A 23 -2.452 14.539 -1.167 1.00 15.12 C ATOM 369 O LEU A 23 -2.517 13.688 -2.053 1.00 74.11 O ATOM 370 CB LEU A 23 -2.043 14.283 1.288 1.00 41.35 C ATOM 371 CG LEU A 23 -1.146 14.531 2.501 1.00 63.22 C ATOM 372 CD1 LEU A 23 -1.906 14.261 3.790 1.00 5.23 C ATOM 373 CD2 LEU A 23 0.104 13.666 2.425 1.00 20.12 C ATOM 0 H LEU A 23 -0.581 16.198 0.770 1.00 50.31 H new ATOM 0 HA LEU A 23 -0.751 13.595 -0.286 1.00 24.43 H new ATOM 0 HB2 LEU A 23 -2.896 14.959 1.348 1.00 41.35 H new ATOM 0 HB3 LEU A 23 -2.436 13.268 1.353 1.00 41.35 H new ATOM 0 HG LEU A 23 -0.840 15.577 2.496 1.00 63.22 H new ATOM 0 HD11 LEU A 23 -1.252 14.443 4.643 1.00 5.23 H new ATOM 0 HD12 LEU A 23 -2.770 14.923 3.848 1.00 5.23 H new ATOM 0 HD13 LEU A 23 -2.241 13.224 3.804 1.00 5.23 H new ATOM 0 HD21 LEU A 23 0.731 13.855 3.296 1.00 20.12 H new ATOM 0 HD22 LEU A 23 -0.182 12.614 2.405 1.00 20.12 H new ATOM 0 HD23 LEU A 23 0.659 13.908 1.519 1.00 20.12 H new ATOM 385 N ALA A 24 -3.288 15.570 -1.091 1.00 44.23 N ATOM 386 CA ALA A 24 -4.351 15.765 -2.069 1.00 43.42 C ATOM 387 C ALA A 24 -3.796 15.773 -3.489 1.00 64.35 C ATOM 388 O ALA A 24 -4.506 15.466 -4.446 1.00 14.33 O ATOM 389 CB ALA A 24 -5.097 17.060 -1.786 1.00 13.54 C ATOM 0 H ALA A 24 -3.249 16.283 -0.362 1.00 44.23 H new ATOM 0 HA ALA A 24 -5.047 14.931 -1.983 1.00 43.42 H new ATOM 0 HB1 ALA A 24 -5.888 17.193 -2.524 1.00 13.54 H new ATOM 0 HB2 ALA A 24 -5.535 17.017 -0.789 1.00 13.54 H new ATOM 0 HB3 ALA A 24 -4.404 17.899 -1.842 1.00 13.54 H new ATOM 395 N GLY A 25 -2.520 16.125 -3.620 1.00 12.51 N ATOM 396 CA GLY A 25 -1.892 16.167 -4.927 1.00 60.24 C ATOM 397 C GLY A 25 -1.346 14.818 -5.351 1.00 73.34 C ATOM 398 O GLY A 25 -1.402 14.460 -6.528 1.00 4.14 O ATOM 0 H GLY A 25 -1.910 16.382 -2.844 1.00 12.51 H new ATOM 0 HA2 GLY A 25 -2.618 16.510 -5.665 1.00 60.24 H new ATOM 0 HA3 GLY A 25 -1.082 16.896 -4.914 1.00 60.24 H new ATOM 402 N ALA A 26 -0.816 14.067 -4.391 1.00 51.31 N ATOM 403 CA ALA A 26 -0.258 12.750 -4.671 1.00 52.12 C ATOM 404 C ALA A 26 -1.324 11.666 -4.551 1.00 24.25 C ATOM 405 O ALA A 26 -1.036 10.479 -4.703 1.00 1.50 O ATOM 406 CB ALA A 26 0.903 12.458 -3.733 1.00 2.45 C ATOM 0 H ALA A 26 -0.761 14.349 -3.412 1.00 51.31 H new ATOM 0 HA ALA A 26 0.110 12.749 -5.697 1.00 52.12 H new ATOM 0 HB1 ALA A 26 1.310 11.471 -3.954 1.00 2.45 H new ATOM 0 HB2 ALA A 26 1.680 13.210 -3.871 1.00 2.45 H new ATOM 0 HB3 ALA A 26 0.552 12.483 -2.701 1.00 2.45 H new ATOM 412 N GLY A 27 -2.556 12.081 -4.275 1.00 12.52 N ATOM 413 CA GLY A 27 -3.646 11.133 -4.137 1.00 63.35 C ATOM 414 C GLY A 27 -3.763 10.584 -2.729 1.00 65.24 C ATOM 415 O GLY A 27 -4.737 9.907 -2.398 1.00 24.24 O ATOM 0 H GLY A 27 -2.819 13.058 -4.144 1.00 12.52 H new ATOM 0 HA2 GLY A 27 -4.582 11.618 -4.413 1.00 63.35 H new ATOM 0 HA3 GLY A 27 -3.496 10.308 -4.834 1.00 63.35 H new ATOM 419 N LEU A 28 -2.767 10.874 -1.899 1.00 32.22 N ATOM 420 CA LEU A 28 -2.761 10.403 -0.518 1.00 12.21 C ATOM 421 C LEU A 28 -3.936 10.986 0.261 1.00 31.30 C ATOM 422 O LEU A 28 -4.314 12.141 0.065 1.00 2.51 O ATOM 423 CB LEU A 28 -1.445 10.780 0.164 1.00 11.24 C ATOM 424 CG LEU A 28 -0.169 10.446 -0.608 1.00 64.04 C ATOM 425 CD1 LEU A 28 1.019 11.198 -0.028 1.00 21.31 C ATOM 426 CD2 LEU A 28 0.087 8.946 -0.592 1.00 5.01 C ATOM 0 H LEU A 28 -1.954 11.433 -2.158 1.00 32.22 H new ATOM 0 HA LEU A 28 -2.859 9.318 -0.530 1.00 12.21 H new ATOM 0 HB2 LEU A 28 -1.456 11.852 0.362 1.00 11.24 H new ATOM 0 HB3 LEU A 28 -1.403 10.278 1.130 1.00 11.24 H new ATOM 0 HG LEU A 28 -0.301 10.761 -1.643 1.00 64.04 H new ATOM 0 HD11 LEU A 28 1.918 10.947 -0.591 1.00 21.31 H new ATOM 0 HD12 LEU A 28 0.837 12.271 -0.093 1.00 21.31 H new ATOM 0 HD13 LEU A 28 1.154 10.916 1.016 1.00 21.31 H new ATOM 0 HD21 LEU A 28 0.999 8.727 -1.146 1.00 5.01 H new ATOM 0 HD22 LEU A 28 0.198 8.607 0.438 1.00 5.01 H new ATOM 0 HD23 LEU A 28 -0.753 8.429 -1.056 1.00 5.01 H new ATOM 438 N THR A 29 -4.510 10.179 1.148 1.00 72.52 N ATOM 439 CA THR A 29 -5.641 10.614 1.957 1.00 33.44 C ATOM 440 C THR A 29 -5.230 11.711 2.932 1.00 41.31 C ATOM 441 O THR A 29 -4.424 11.483 3.835 1.00 62.14 O ATOM 442 CB THR A 29 -6.249 9.441 2.750 1.00 71.22 C ATOM 443 OG1 THR A 29 -6.391 8.297 1.900 1.00 22.22 O ATOM 444 CG2 THR A 29 -7.604 9.822 3.326 1.00 33.21 C ATOM 0 H THR A 29 -4.210 9.220 1.324 1.00 72.52 H new ATOM 0 HA THR A 29 -6.390 11.005 1.268 1.00 33.44 H new ATOM 0 HB THR A 29 -5.577 9.200 3.573 1.00 71.22 H new ATOM 0 HG1 THR A 29 -6.776 7.555 2.412 1.00 22.22 H new ATOM 0 HG21 THR A 29 -8.014 8.978 3.881 1.00 33.21 H new ATOM 0 HG22 THR A 29 -7.488 10.675 3.995 1.00 33.21 H new ATOM 0 HG23 THR A 29 -8.283 10.086 2.515 1.00 33.21 H new ATOM 452 N CYS A 30 -5.788 12.902 2.744 1.00 34.25 N ATOM 453 CA CYS A 30 -5.479 14.036 3.608 1.00 71.00 C ATOM 454 C CYS A 30 -6.489 14.144 4.746 1.00 25.02 C ATOM 455 O CYS A 30 -7.698 14.063 4.528 1.00 10.34 O ATOM 456 CB CYS A 30 -5.466 15.332 2.797 1.00 40.51 C ATOM 457 SG CYS A 30 -5.112 16.811 3.775 1.00 43.42 S ATOM 0 H CYS A 30 -6.456 13.107 2.001 1.00 34.25 H new ATOM 0 HA CYS A 30 -4.491 13.875 4.038 1.00 71.00 H new ATOM 0 HB2 CYS A 30 -4.721 15.246 2.006 1.00 40.51 H new ATOM 0 HB3 CYS A 30 -6.434 15.454 2.311 1.00 40.51 H new ATOM 0 HG CYS A 30 -5.893 17.779 3.397 1.00 43.42 H new ATOM 463 N THR A 31 -5.984 14.326 5.963 1.00 60.53 N ATOM 464 CA THR A 31 -6.841 14.442 7.136 1.00 23.40 C ATOM 465 C THR A 31 -6.283 15.458 8.125 1.00 11.45 C ATOM 466 O THR A 31 -5.090 15.456 8.429 1.00 45.03 O ATOM 467 CB THR A 31 -7.005 13.086 7.848 1.00 24.33 C ATOM 468 OG1 THR A 31 -7.470 12.099 6.921 1.00 30.54 O ATOM 469 CG2 THR A 31 -7.981 13.199 9.009 1.00 20.13 C ATOM 0 H THR A 31 -4.986 14.396 6.161 1.00 60.53 H new ATOM 0 HA THR A 31 -7.816 14.779 6.784 1.00 23.40 H new ATOM 0 HB THR A 31 -6.033 12.786 8.240 1.00 24.33 H new ATOM 0 HG1 THR A 31 -7.212 11.207 7.236 1.00 30.54 H new ATOM 0 HG21 THR A 31 -8.081 12.229 9.496 1.00 20.13 H new ATOM 0 HG22 THR A 31 -7.609 13.930 9.727 1.00 20.13 H new ATOM 0 HG23 THR A 31 -8.954 13.519 8.637 1.00 20.13 H new ATOM 477 N THR A 32 -7.154 16.328 8.628 1.00 75.03 N ATOM 478 CA THR A 32 -6.749 17.351 9.583 1.00 0.11 C ATOM 479 C THR A 32 -7.893 17.707 10.526 1.00 25.12 C ATOM 480 O THR A 32 -9.065 17.551 10.183 1.00 3.22 O ATOM 481 CB THR A 32 -6.271 18.629 8.868 1.00 14.34 C ATOM 482 OG1 THR A 32 -7.257 19.060 7.924 1.00 75.24 O ATOM 483 CG2 THR A 32 -4.949 18.389 8.155 1.00 33.14 C ATOM 0 H THR A 32 -8.145 16.344 8.389 1.00 75.03 H new ATOM 0 HA THR A 32 -5.923 16.936 10.160 1.00 0.11 H new ATOM 0 HB THR A 32 -6.124 19.405 9.619 1.00 14.34 H new ATOM 0 HG1 THR A 32 -6.946 19.874 7.475 1.00 75.24 H new ATOM 0 HG21 THR A 32 -4.632 19.306 7.658 1.00 33.14 H new ATOM 0 HG22 THR A 32 -4.193 18.090 8.881 1.00 33.14 H new ATOM 0 HG23 THR A 32 -5.073 17.599 7.414 1.00 33.14 H new ATOM 491 N PHE A 33 -7.545 18.186 11.716 1.00 42.11 N ATOM 492 CA PHE A 33 -8.543 18.564 12.709 1.00 11.14 C ATOM 493 C PHE A 33 -8.119 19.827 13.453 1.00 53.30 C ATOM 494 O PHE A 33 -8.566 20.928 13.132 1.00 73.21 O ATOM 495 CB PHE A 33 -8.761 17.422 13.704 1.00 15.21 C ATOM 496 CG PHE A 33 -9.151 16.126 13.053 1.00 51.13 C ATOM 497 CD1 PHE A 33 -10.443 15.927 12.594 1.00 71.13 C ATOM 498 CD2 PHE A 33 -8.225 15.107 12.900 1.00 72.41 C ATOM 499 CE1 PHE A 33 -10.805 14.736 11.993 1.00 22.55 C ATOM 500 CE2 PHE A 33 -8.581 13.913 12.300 1.00 0.31 C ATOM 501 CZ PHE A 33 -9.873 13.727 11.848 1.00 44.15 C ATOM 0 H PHE A 33 -6.579 18.321 12.016 1.00 42.11 H new ATOM 0 HA PHE A 33 -9.479 18.767 12.188 1.00 11.14 H new ATOM 0 HB2 PHE A 33 -7.846 17.271 14.277 1.00 15.21 H new ATOM 0 HB3 PHE A 33 -9.537 17.711 14.413 1.00 15.21 H new ATOM 0 HD1 PHE A 33 -11.176 16.712 12.707 1.00 71.13 H new ATOM 0 HD2 PHE A 33 -7.214 15.247 13.253 1.00 72.41 H new ATOM 0 HE1 PHE A 33 -11.815 14.595 11.637 1.00 22.55 H new ATOM 0 HE2 PHE A 33 -7.850 13.127 12.185 1.00 0.31 H new ATOM 0 HZ PHE A 33 -10.154 12.794 11.382 1.00 44.15 H new ATOM 511 N GLU A 34 -7.254 19.659 14.448 1.00 34.25 N ATOM 512 CA GLU A 34 -6.771 20.785 15.239 1.00 54.13 C ATOM 513 C GLU A 34 -5.968 20.301 16.442 1.00 64.41 C ATOM 514 O GLU A 34 -4.768 20.552 16.542 1.00 44.20 O ATOM 515 CB GLU A 34 -7.945 21.647 15.709 1.00 3.20 C ATOM 516 CG GLU A 34 -7.953 23.043 15.109 1.00 11.33 C ATOM 517 CD GLU A 34 -9.262 23.374 14.419 1.00 60.34 C ATOM 518 OE1 GLU A 34 -10.329 23.087 15.000 1.00 12.52 O ATOM 519 OE2 GLU A 34 -9.218 23.919 13.296 1.00 54.11 O ATOM 0 H GLU A 34 -6.873 18.754 14.726 1.00 34.25 H new ATOM 0 HA GLU A 34 -6.118 21.386 14.607 1.00 54.13 H new ATOM 0 HB2 GLU A 34 -8.878 21.145 15.453 1.00 3.20 H new ATOM 0 HB3 GLU A 34 -7.914 21.728 16.796 1.00 3.20 H new ATOM 0 HG2 GLU A 34 -7.767 23.774 15.896 1.00 11.33 H new ATOM 0 HG3 GLU A 34 -7.136 23.131 14.392 1.00 11.33 H new ATOM 526 N ASN A 35 -6.639 19.604 17.353 1.00 13.43 N ATOM 527 CA ASN A 35 -5.989 19.085 18.551 1.00 43.22 C ATOM 528 C ASN A 35 -6.226 17.585 18.692 1.00 70.33 C ATOM 529 O ASN A 35 -7.142 17.031 18.085 1.00 31.24 O ATOM 530 CB ASN A 35 -6.505 19.813 19.793 1.00 10.44 C ATOM 531 CG ASN A 35 -7.944 19.458 20.116 1.00 42.44 C ATOM 532 OD1 ASN A 35 -8.644 18.858 19.300 1.00 20.45 O ATOM 533 ND2 ASN A 35 -8.392 19.830 21.309 1.00 24.33 N ATOM 0 H ASN A 35 -7.633 19.385 17.285 1.00 13.43 H new ATOM 0 HA ASN A 35 -4.917 19.258 18.456 1.00 43.22 H new ATOM 0 HB2 ASN A 35 -5.872 19.565 20.645 1.00 10.44 H new ATOM 0 HB3 ASN A 35 -6.425 20.889 19.639 1.00 10.44 H new ATOM 0 HD21 ASN A 35 -9.352 19.620 21.581 1.00 24.33 H new ATOM 0 HD22 ASN A 35 -7.776 20.326 21.953 1.00 24.33 H new ATOM 540 N GLY A 36 -5.393 16.932 19.497 1.00 14.24 N ATOM 541 CA GLY A 36 -5.529 15.502 19.704 1.00 13.21 C ATOM 542 C GLY A 36 -6.947 15.100 20.061 1.00 43.14 C ATOM 543 O GLY A 36 -7.373 13.983 19.772 1.00 71.03 O ATOM 0 H GLY A 36 -4.626 17.368 20.009 1.00 14.24 H new ATOM 0 HA2 GLY A 36 -5.222 14.976 18.800 1.00 13.21 H new ATOM 0 HA3 GLY A 36 -4.854 15.187 20.500 1.00 13.21 H new ATOM 547 N ASN A 37 -7.678 16.013 20.692 1.00 20.21 N ATOM 548 CA ASN A 37 -9.055 15.746 21.091 1.00 53.31 C ATOM 549 C ASN A 37 -9.867 15.206 19.917 1.00 4.12 C ATOM 550 O ASN A 37 -10.473 14.139 20.008 1.00 3.14 O ATOM 551 CB ASN A 37 -9.707 17.020 21.632 1.00 1.34 C ATOM 552 CG ASN A 37 -10.949 16.731 22.453 1.00 21.50 C ATOM 553 OD1 ASN A 37 -11.535 15.652 22.353 1.00 3.43 O ATOM 554 ND2 ASN A 37 -11.356 17.695 23.270 1.00 55.02 N ATOM 0 H ASN A 37 -7.340 16.943 20.938 1.00 20.21 H new ATOM 0 HA ASN A 37 -9.039 14.991 21.877 1.00 53.31 H new ATOM 0 HB2 ASN A 37 -8.987 17.561 22.246 1.00 1.34 H new ATOM 0 HB3 ASN A 37 -9.969 17.672 20.799 1.00 1.34 H new ATOM 0 HD21 ASN A 37 -12.185 17.558 23.848 1.00 55.02 H new ATOM 0 HD22 ASN A 37 -10.839 18.573 23.320 1.00 55.02 H new ATOM 561 N GLU A 38 -9.872 15.951 18.816 1.00 70.31 N ATOM 562 CA GLU A 38 -10.609 15.546 17.625 1.00 51.04 C ATOM 563 C GLU A 38 -10.124 14.191 17.119 1.00 64.42 C ATOM 564 O GLU A 38 -10.911 13.259 16.953 1.00 20.23 O ATOM 565 CB GLU A 38 -10.459 16.597 16.523 1.00 2.41 C ATOM 566 CG GLU A 38 -10.866 17.996 16.957 1.00 70.44 C ATOM 567 CD GLU A 38 -12.143 18.465 16.287 1.00 10.12 C ATOM 568 OE1 GLU A 38 -13.147 17.725 16.341 1.00 33.50 O ATOM 569 OE2 GLU A 38 -12.138 19.572 15.710 1.00 54.24 O ATOM 0 H GLU A 38 -9.375 16.837 18.724 1.00 70.31 H new ATOM 0 HA GLU A 38 -11.662 15.459 17.893 1.00 51.04 H new ATOM 0 HB2 GLU A 38 -9.421 16.616 16.190 1.00 2.41 H new ATOM 0 HB3 GLU A 38 -11.064 16.301 15.666 1.00 2.41 H new ATOM 0 HG2 GLU A 38 -11.000 18.012 18.039 1.00 70.44 H new ATOM 0 HG3 GLU A 38 -10.061 18.693 16.725 1.00 70.44 H new ATOM 576 N VAL A 39 -8.821 14.089 16.874 1.00 20.33 N ATOM 577 CA VAL A 39 -8.229 12.848 16.388 1.00 52.21 C ATOM 578 C VAL A 39 -8.653 11.663 17.248 1.00 62.10 C ATOM 579 O VAL A 39 -8.751 10.534 16.764 1.00 1.24 O ATOM 580 CB VAL A 39 -6.691 12.930 16.368 1.00 53.13 C ATOM 581 CG1 VAL A 39 -6.083 11.537 16.307 1.00 1.30 C ATOM 582 CG2 VAL A 39 -6.219 13.779 15.197 1.00 24.20 C ATOM 0 H VAL A 39 -8.155 14.851 17.004 1.00 20.33 H new ATOM 0 HA VAL A 39 -8.591 12.702 15.370 1.00 52.21 H new ATOM 0 HB VAL A 39 -6.357 13.406 17.290 1.00 53.13 H new ATOM 0 HG11 VAL A 39 -4.996 11.615 16.294 1.00 1.30 H new ATOM 0 HG12 VAL A 39 -6.395 10.965 17.181 1.00 1.30 H new ATOM 0 HG13 VAL A 39 -6.422 11.031 15.403 1.00 1.30 H new ATOM 0 HG21 VAL A 39 -5.130 13.827 15.198 1.00 24.20 H new ATOM 0 HG22 VAL A 39 -6.562 13.334 14.263 1.00 24.20 H new ATOM 0 HG23 VAL A 39 -6.626 14.786 15.290 1.00 24.20 H new ATOM 592 N LEU A 40 -8.904 11.926 18.526 1.00 45.03 N ATOM 593 CA LEU A 40 -9.318 10.881 19.455 1.00 20.31 C ATOM 594 C LEU A 40 -10.528 10.123 18.918 1.00 64.31 C ATOM 595 O LEU A 40 -10.480 8.907 18.736 1.00 22.52 O ATOM 596 CB LEU A 40 -9.647 11.486 20.821 1.00 44.21 C ATOM 597 CG LEU A 40 -9.258 10.647 22.038 1.00 23.24 C ATOM 598 CD1 LEU A 40 -9.764 9.221 21.887 1.00 34.14 C ATOM 599 CD2 LEU A 40 -7.749 10.661 22.236 1.00 61.42 C ATOM 0 H LEU A 40 -8.828 12.854 18.942 1.00 45.03 H new ATOM 0 HA LEU A 40 -8.491 10.179 19.565 1.00 20.31 H new ATOM 0 HB2 LEU A 40 -9.149 12.453 20.897 1.00 44.21 H new ATOM 0 HB3 LEU A 40 -10.720 11.675 20.863 1.00 44.21 H new ATOM 0 HG LEU A 40 -9.724 11.085 22.921 1.00 23.24 H new ATOM 0 HD11 LEU A 40 -9.478 8.639 22.763 1.00 34.14 H new ATOM 0 HD12 LEU A 40 -10.850 9.228 21.795 1.00 34.14 H new ATOM 0 HD13 LEU A 40 -9.327 8.773 20.995 1.00 34.14 H new ATOM 0 HD21 LEU A 40 -7.491 10.059 23.107 1.00 61.42 H new ATOM 0 HD22 LEU A 40 -7.262 10.249 21.352 1.00 61.42 H new ATOM 0 HD23 LEU A 40 -7.412 11.686 22.391 1.00 61.42 H new ATOM 611 N ALA A 41 -11.610 10.850 18.664 1.00 53.33 N ATOM 612 CA ALA A 41 -12.831 10.247 18.143 1.00 0.30 C ATOM 613 C ALA A 41 -12.537 9.372 16.929 1.00 4.24 C ATOM 614 O ALA A 41 -13.171 8.336 16.731 1.00 45.30 O ATOM 615 CB ALA A 41 -13.842 11.327 17.785 1.00 23.21 C ATOM 0 H ALA A 41 -11.667 11.858 18.810 1.00 53.33 H new ATOM 0 HA ALA A 41 -13.254 9.612 18.922 1.00 0.30 H new ATOM 0 HB1 ALA A 41 -14.749 10.863 17.397 1.00 23.21 H new ATOM 0 HB2 ALA A 41 -14.084 11.908 18.675 1.00 23.21 H new ATOM 0 HB3 ALA A 41 -13.418 11.985 17.026 1.00 23.21 H new ATOM 621 N ALA A 42 -11.571 9.796 16.120 1.00 15.21 N ATOM 622 CA ALA A 42 -11.193 9.050 14.927 1.00 44.14 C ATOM 623 C ALA A 42 -10.294 7.869 15.279 1.00 15.44 C ATOM 624 O ALA A 42 -10.346 6.822 14.633 1.00 43.22 O ATOM 625 CB ALA A 42 -10.497 9.966 13.930 1.00 21.14 C ATOM 0 H ALA A 42 -11.037 10.652 16.270 1.00 15.21 H new ATOM 0 HA ALA A 42 -12.102 8.658 14.471 1.00 44.14 H new ATOM 0 HB1 ALA A 42 -10.220 9.395 13.044 1.00 21.14 H new ATOM 0 HB2 ALA A 42 -11.171 10.774 13.646 1.00 21.14 H new ATOM 0 HB3 ALA A 42 -9.600 10.386 14.386 1.00 21.14 H new ATOM 631 N LEU A 43 -9.472 8.044 16.308 1.00 42.54 N ATOM 632 CA LEU A 43 -8.561 6.993 16.746 1.00 22.13 C ATOM 633 C LEU A 43 -9.333 5.796 17.292 1.00 72.14 C ATOM 634 O LEU A 43 -9.152 4.668 16.835 1.00 22.52 O ATOM 635 CB LEU A 43 -7.608 7.530 17.816 1.00 70.32 C ATOM 636 CG LEU A 43 -6.370 8.266 17.303 1.00 11.51 C ATOM 637 CD1 LEU A 43 -5.597 8.881 18.460 1.00 72.41 C ATOM 638 CD2 LEU A 43 -5.481 7.324 16.506 1.00 64.13 C ATOM 0 H LEU A 43 -9.418 8.904 16.854 1.00 42.54 H new ATOM 0 HA LEU A 43 -7.982 6.666 15.883 1.00 22.13 H new ATOM 0 HB2 LEU A 43 -8.165 8.206 18.464 1.00 70.32 H new ATOM 0 HB3 LEU A 43 -7.279 6.694 18.434 1.00 70.32 H new ATOM 0 HG LEU A 43 -6.696 9.070 16.643 1.00 11.51 H new ATOM 0 HD11 LEU A 43 -4.719 9.401 18.076 1.00 72.41 H new ATOM 0 HD12 LEU A 43 -6.235 9.589 18.989 1.00 72.41 H new ATOM 0 HD13 LEU A 43 -5.282 8.095 19.146 1.00 72.41 H new ATOM 0 HD21 LEU A 43 -4.605 7.865 16.149 1.00 64.13 H new ATOM 0 HD22 LEU A 43 -5.163 6.498 17.143 1.00 64.13 H new ATOM 0 HD23 LEU A 43 -6.037 6.932 15.654 1.00 64.13 H new ATOM 650 N ALA A 44 -10.197 6.051 18.269 1.00 24.12 N ATOM 651 CA ALA A 44 -11.000 4.995 18.874 1.00 42.44 C ATOM 652 C ALA A 44 -11.793 4.235 17.816 1.00 42.10 C ATOM 653 O ALA A 44 -12.102 3.056 17.987 1.00 70.03 O ATOM 654 CB ALA A 44 -11.937 5.579 19.920 1.00 0.24 C ATOM 0 H ALA A 44 -10.359 6.980 18.659 1.00 24.12 H new ATOM 0 HA ALA A 44 -10.324 4.291 19.360 1.00 42.44 H new ATOM 0 HB1 ALA A 44 -12.531 4.780 20.364 1.00 0.24 H new ATOM 0 HB2 ALA A 44 -11.353 6.071 20.697 1.00 0.24 H new ATOM 0 HB3 ALA A 44 -12.600 6.305 19.450 1.00 0.24 H new ATOM 660 N SER A 45 -12.120 4.918 16.723 1.00 3.15 N ATOM 661 CA SER A 45 -12.881 4.308 15.640 1.00 71.12 C ATOM 662 C SER A 45 -11.964 3.523 14.707 1.00 72.13 C ATOM 663 O SER A 45 -12.265 2.390 14.329 1.00 0.22 O ATOM 664 CB SER A 45 -13.634 5.380 14.850 1.00 1.52 C ATOM 665 OG SER A 45 -15.026 5.116 14.831 1.00 50.44 O ATOM 0 H SER A 45 -11.869 5.894 16.565 1.00 3.15 H new ATOM 0 HA SER A 45 -13.601 3.618 16.079 1.00 71.12 H new ATOM 0 HB2 SER A 45 -13.452 6.359 15.294 1.00 1.52 H new ATOM 0 HB3 SER A 45 -13.254 5.418 13.829 1.00 1.52 H new ATOM 0 HG SER A 45 -15.485 5.816 14.322 1.00 50.44 H new ATOM 671 N LYS A 46 -10.843 4.133 14.338 1.00 52.33 N ATOM 672 CA LYS A 46 -9.880 3.494 13.450 1.00 63.42 C ATOM 673 C LYS A 46 -8.488 4.089 13.638 1.00 61.12 C ATOM 674 O LYS A 46 -8.337 5.180 14.189 1.00 64.05 O ATOM 675 CB LYS A 46 -10.319 3.647 11.992 1.00 62.22 C ATOM 676 CG LYS A 46 -9.892 2.491 11.104 1.00 74.15 C ATOM 677 CD LYS A 46 -8.594 2.797 10.375 1.00 34.32 C ATOM 678 CE LYS A 46 -8.839 3.105 8.906 1.00 61.31 C ATOM 679 NZ LYS A 46 -9.501 1.971 8.204 1.00 34.42 N ATOM 0 H LYS A 46 -10.579 5.071 14.641 1.00 52.33 H new ATOM 0 HA LYS A 46 -9.840 2.434 13.701 1.00 63.42 H new ATOM 0 HB2 LYS A 46 -11.404 3.740 11.956 1.00 62.22 H new ATOM 0 HB3 LYS A 46 -9.906 4.573 11.592 1.00 62.22 H new ATOM 0 HG2 LYS A 46 -9.767 1.593 11.709 1.00 74.15 H new ATOM 0 HG3 LYS A 46 -10.677 2.280 10.378 1.00 74.15 H new ATOM 0 HD2 LYS A 46 -8.101 3.646 10.849 1.00 34.32 H new ATOM 0 HD3 LYS A 46 -7.918 1.947 10.462 1.00 34.32 H new ATOM 0 HE2 LYS A 46 -9.460 3.997 8.821 1.00 61.31 H new ATOM 0 HE3 LYS A 46 -7.890 3.329 8.419 1.00 61.31 H new ATOM 0 HZ1 LYS A 46 -9.173 1.934 7.218 1.00 34.42 H new ATOM 0 HZ2 LYS A 46 -9.261 1.079 8.682 1.00 34.42 H new ATOM 0 HZ3 LYS A 46 -10.532 2.107 8.221 1.00 34.42 H new ATOM 693 N THR A 47 -7.472 3.366 13.175 1.00 35.04 N ATOM 694 CA THR A 47 -6.093 3.823 13.292 1.00 34.43 C ATOM 695 C THR A 47 -5.505 4.150 11.925 1.00 63.42 C ATOM 696 O THR A 47 -5.568 3.353 10.988 1.00 32.02 O ATOM 697 CB THR A 47 -5.208 2.766 13.980 1.00 13.44 C ATOM 698 OG1 THR A 47 -4.901 1.711 13.062 1.00 12.24 O ATOM 699 CG2 THR A 47 -5.904 2.193 15.206 1.00 65.11 C ATOM 0 H THR A 47 -7.579 2.462 12.716 1.00 35.04 H new ATOM 0 HA THR A 47 -6.109 4.726 13.903 1.00 34.43 H new ATOM 0 HB THR A 47 -4.284 3.249 14.299 1.00 13.44 H new ATOM 0 HG1 THR A 47 -5.161 1.979 12.156 1.00 12.24 H new ATOM 0 HG21 THR A 47 -5.260 1.449 15.675 1.00 65.11 H new ATOM 0 HG22 THR A 47 -6.109 2.994 15.916 1.00 65.11 H new ATOM 0 HG23 THR A 47 -6.842 1.725 14.906 1.00 65.11 H new ATOM 707 N PRO A 48 -4.917 5.349 11.804 1.00 2.22 N ATOM 708 CA PRO A 48 -4.304 5.808 10.554 1.00 2.22 C ATOM 709 C PRO A 48 -3.030 5.041 10.217 1.00 20.12 C ATOM 710 O PRO A 48 -2.606 4.163 10.969 1.00 64.12 O ATOM 711 CB PRO A 48 -3.984 7.279 10.835 1.00 22.42 C ATOM 712 CG PRO A 48 -3.843 7.359 12.316 1.00 12.41 C ATOM 713 CD PRO A 48 -4.805 6.349 12.879 1.00 4.40 C ATOM 0 HA PRO A 48 -4.962 5.656 9.698 1.00 2.22 H new ATOM 0 HB2 PRO A 48 -3.067 7.588 10.333 1.00 22.42 H new ATOM 0 HB3 PRO A 48 -4.779 7.933 10.477 1.00 22.42 H new ATOM 0 HG2 PRO A 48 -2.821 7.138 12.623 1.00 12.41 H new ATOM 0 HG3 PRO A 48 -4.074 8.361 12.676 1.00 12.41 H new ATOM 0 HD2 PRO A 48 -4.429 5.907 13.802 1.00 4.40 H new ATOM 0 HD3 PRO A 48 -5.770 6.799 13.111 1.00 4.40 H new ATOM 721 N ASP A 49 -2.424 5.378 9.084 1.00 73.31 N ATOM 722 CA ASP A 49 -1.197 4.721 8.648 1.00 13.01 C ATOM 723 C ASP A 49 0.024 5.370 9.291 1.00 22.15 C ATOM 724 O ASP A 49 1.086 4.755 9.392 1.00 0.15 O ATOM 725 CB ASP A 49 -1.077 4.777 7.124 1.00 10.14 C ATOM 726 CG ASP A 49 -1.087 3.399 6.492 1.00 41.42 C ATOM 727 OD1 ASP A 49 -0.591 2.449 7.132 1.00 3.34 O ATOM 728 OD2 ASP A 49 -1.590 3.271 5.356 1.00 50.32 O ATOM 0 H ASP A 49 -2.762 6.102 8.451 1.00 73.31 H new ATOM 0 HA ASP A 49 -1.240 3.678 8.963 1.00 13.01 H new ATOM 0 HB2 ASP A 49 -1.900 5.365 6.719 1.00 10.14 H new ATOM 0 HB3 ASP A 49 -0.155 5.291 6.854 1.00 10.14 H new ATOM 733 N VAL A 50 -0.133 6.617 9.724 1.00 33.23 N ATOM 734 CA VAL A 50 0.956 7.350 10.358 1.00 64.41 C ATOM 735 C VAL A 50 0.517 8.755 10.753 1.00 60.02 C ATOM 736 O VAL A 50 0.136 9.560 9.902 1.00 12.33 O ATOM 737 CB VAL A 50 2.181 7.448 9.429 1.00 50.51 C ATOM 738 CG1 VAL A 50 1.787 8.047 8.087 1.00 13.34 C ATOM 739 CG2 VAL A 50 3.282 8.268 10.085 1.00 60.11 C ATOM 0 H VAL A 50 -1.005 7.141 9.647 1.00 33.23 H new ATOM 0 HA VAL A 50 1.232 6.794 11.254 1.00 64.41 H new ATOM 0 HB VAL A 50 2.563 6.443 9.253 1.00 50.51 H new ATOM 0 HG11 VAL A 50 2.665 8.108 7.444 1.00 13.34 H new ATOM 0 HG12 VAL A 50 1.034 7.416 7.614 1.00 13.34 H new ATOM 0 HG13 VAL A 50 1.379 9.046 8.240 1.00 13.34 H new ATOM 0 HG21 VAL A 50 4.140 8.327 9.415 1.00 60.11 H new ATOM 0 HG22 VAL A 50 2.913 9.273 10.292 1.00 60.11 H new ATOM 0 HG23 VAL A 50 3.583 7.792 11.019 1.00 60.11 H new ATOM 749 N LEU A 51 0.573 9.044 12.048 1.00 2.22 N ATOM 750 CA LEU A 51 0.181 10.354 12.557 1.00 25.14 C ATOM 751 C LEU A 51 1.394 11.124 13.070 1.00 23.35 C ATOM 752 O LEU A 51 2.341 10.535 13.594 1.00 31.32 O ATOM 753 CB LEU A 51 -0.850 10.200 13.676 1.00 11.24 C ATOM 754 CG LEU A 51 -1.688 11.440 13.992 1.00 70.22 C ATOM 755 CD1 LEU A 51 -3.101 11.042 14.389 1.00 51.00 C ATOM 756 CD2 LEU A 51 -1.033 12.260 15.094 1.00 72.03 C ATOM 0 H LEU A 51 0.886 8.389 12.765 1.00 2.22 H new ATOM 0 HA LEU A 51 -0.264 10.917 11.737 1.00 25.14 H new ATOM 0 HB2 LEU A 51 -1.526 9.387 13.411 1.00 11.24 H new ATOM 0 HB3 LEU A 51 -0.329 9.897 14.584 1.00 11.24 H new ATOM 0 HG LEU A 51 -1.745 12.055 13.094 1.00 70.22 H new ATOM 0 HD11 LEU A 51 -3.683 11.937 14.610 1.00 51.00 H new ATOM 0 HD12 LEU A 51 -3.570 10.498 13.569 1.00 51.00 H new ATOM 0 HD13 LEU A 51 -3.065 10.405 15.273 1.00 51.00 H new ATOM 0 HD21 LEU A 51 -1.643 13.138 15.306 1.00 72.03 H new ATOM 0 HD22 LEU A 51 -0.945 11.654 15.995 1.00 72.03 H new ATOM 0 HD23 LEU A 51 -0.041 12.576 14.771 1.00 72.03 H new ATOM 768 N LEU A 52 1.359 12.443 12.919 1.00 74.14 N ATOM 769 CA LEU A 52 2.454 13.295 13.369 1.00 70.32 C ATOM 770 C LEU A 52 2.104 13.982 14.685 1.00 60.03 C ATOM 771 O LEU A 52 1.627 15.117 14.696 1.00 34.53 O ATOM 772 CB LEU A 52 2.782 14.343 12.304 1.00 15.11 C ATOM 773 CG LEU A 52 3.062 13.808 10.899 1.00 14.22 C ATOM 774 CD1 LEU A 52 1.762 13.614 10.133 1.00 23.43 C ATOM 775 CD2 LEU A 52 3.991 14.749 10.146 1.00 22.31 C ATOM 0 H LEU A 52 0.584 12.946 12.488 1.00 74.14 H new ATOM 0 HA LEU A 52 3.329 12.665 13.531 1.00 70.32 H new ATOM 0 HB2 LEU A 52 1.950 15.044 12.245 1.00 15.11 H new ATOM 0 HB3 LEU A 52 3.653 14.909 12.636 1.00 15.11 H new ATOM 0 HG LEU A 52 3.554 12.840 10.991 1.00 14.22 H new ATOM 0 HD11 LEU A 52 1.981 13.233 9.136 1.00 23.43 H new ATOM 0 HD12 LEU A 52 1.130 12.901 10.663 1.00 23.43 H new ATOM 0 HD13 LEU A 52 1.242 14.569 10.051 1.00 23.43 H new ATOM 0 HD21 LEU A 52 4.180 14.353 9.148 1.00 22.31 H new ATOM 0 HD22 LEU A 52 3.526 15.731 10.064 1.00 22.31 H new ATOM 0 HD23 LEU A 52 4.934 14.838 10.685 1.00 22.31 H new ATOM 787 N SER A 53 2.347 13.288 15.792 1.00 73.41 N ATOM 788 CA SER A 53 2.056 13.830 17.114 1.00 53.33 C ATOM 789 C SER A 53 2.671 15.217 17.279 1.00 30.53 C ATOM 790 O SER A 53 3.841 15.430 16.961 1.00 10.54 O ATOM 791 CB SER A 53 2.584 12.892 18.201 1.00 53.31 C ATOM 792 OG SER A 53 2.999 13.619 19.344 1.00 10.32 O ATOM 0 H SER A 53 2.745 12.349 15.800 1.00 73.41 H new ATOM 0 HA SER A 53 0.974 13.917 17.214 1.00 53.33 H new ATOM 0 HB2 SER A 53 1.807 12.181 18.481 1.00 53.31 H new ATOM 0 HB3 SER A 53 3.421 12.313 17.811 1.00 53.31 H new ATOM 0 HG SER A 53 2.357 13.480 20.071 1.00 10.32 H new ATOM 798 N ASP A 54 1.874 16.154 17.779 1.00 0.50 N ATOM 799 CA ASP A 54 2.339 17.521 17.989 1.00 70.34 C ATOM 800 C ASP A 54 2.211 17.919 19.456 1.00 50.35 C ATOM 801 O ASP A 54 1.106 17.991 19.995 1.00 44.40 O ATOM 802 CB ASP A 54 1.546 18.492 17.112 1.00 24.13 C ATOM 803 CG ASP A 54 2.397 19.640 16.606 1.00 54.35 C ATOM 804 OD1 ASP A 54 2.684 20.561 17.399 1.00 41.32 O ATOM 805 OD2 ASP A 54 2.775 19.618 15.416 1.00 64.40 O ATOM 0 H ASP A 54 0.903 15.993 18.047 1.00 0.50 H new ATOM 0 HA ASP A 54 3.391 17.568 17.709 1.00 70.34 H new ATOM 0 HB2 ASP A 54 1.128 17.952 16.263 1.00 24.13 H new ATOM 0 HB3 ASP A 54 0.706 18.889 17.682 1.00 24.13 H new ATOM 810 N ILE A 55 3.347 18.176 20.095 1.00 61.11 N ATOM 811 CA ILE A 55 3.361 18.567 21.499 1.00 64.00 C ATOM 812 C ILE A 55 3.778 20.025 21.659 1.00 11.13 C ATOM 813 O ILE A 55 4.706 20.338 22.405 1.00 31.35 O ATOM 814 CB ILE A 55 4.314 17.679 22.321 1.00 44.21 C ATOM 815 CG1 ILE A 55 5.655 17.529 21.600 1.00 65.32 C ATOM 816 CG2 ILE A 55 3.685 16.317 22.571 1.00 25.30 C ATOM 817 CD1 ILE A 55 5.705 16.347 20.657 1.00 23.32 C ATOM 0 H ILE A 55 4.269 18.121 19.663 1.00 61.11 H new ATOM 0 HA ILE A 55 2.345 18.439 21.873 1.00 64.00 H new ATOM 0 HB ILE A 55 4.492 18.157 23.284 1.00 44.21 H new ATOM 0 HG12 ILE A 55 5.860 18.440 21.039 1.00 65.32 H new ATOM 0 HG13 ILE A 55 6.447 17.426 22.341 1.00 65.32 H new ATOM 0 HG21 ILE A 55 4.370 15.701 23.153 1.00 25.30 H new ATOM 0 HG22 ILE A 55 2.753 16.442 23.122 1.00 25.30 H new ATOM 0 HG23 ILE A 55 3.480 15.830 21.617 1.00 25.30 H new ATOM 0 HD11 ILE A 55 6.685 16.303 20.181 1.00 23.32 H new ATOM 0 HD12 ILE A 55 5.531 15.428 21.216 1.00 23.32 H new ATOM 0 HD13 ILE A 55 4.935 16.458 19.893 1.00 23.32 H new ATOM 829 N ARG A 56 3.084 20.914 20.955 1.00 24.33 N ATOM 830 CA ARG A 56 3.382 22.340 21.020 1.00 74.51 C ATOM 831 C ARG A 56 2.349 23.146 20.238 1.00 13.24 C ATOM 832 O ARG A 56 2.657 23.724 19.197 1.00 41.14 O ATOM 833 CB ARG A 56 4.782 22.616 20.470 1.00 23.41 C ATOM 834 CG ARG A 56 5.195 24.076 20.560 1.00 71.32 C ATOM 835 CD ARG A 56 5.906 24.532 19.296 1.00 41.34 C ATOM 836 NE ARG A 56 6.207 25.961 19.322 1.00 11.15 N ATOM 837 CZ ARG A 56 6.740 26.619 18.299 1.00 3.23 C ATOM 838 NH1 ARG A 56 7.030 25.980 17.174 1.00 14.22 N ATOM 839 NH2 ARG A 56 6.985 27.919 18.400 1.00 11.52 N ATOM 0 H ARG A 56 2.312 20.672 20.334 1.00 24.33 H new ATOM 0 HA ARG A 56 3.343 22.647 22.065 1.00 74.51 H new ATOM 0 HB2 ARG A 56 5.504 22.009 21.016 1.00 23.41 H new ATOM 0 HB3 ARG A 56 4.823 22.299 19.428 1.00 23.41 H new ATOM 0 HG2 ARG A 56 4.313 24.695 20.727 1.00 71.32 H new ATOM 0 HG3 ARG A 56 5.851 24.218 21.419 1.00 71.32 H new ATOM 0 HD2 ARG A 56 6.832 23.969 19.178 1.00 41.34 H new ATOM 0 HD3 ARG A 56 5.284 24.308 18.429 1.00 41.34 H new ATOM 0 HE ARG A 56 5.996 26.482 20.173 1.00 11.15 H new ATOM 0 HH11 ARG A 56 6.844 24.980 17.093 1.00 14.22 H new ATOM 0 HH12 ARG A 56 7.439 26.488 16.390 1.00 14.22 H new ATOM 0 HH21 ARG A 56 6.764 28.414 19.264 1.00 11.52 H new ATOM 0 HH22 ARG A 56 7.394 28.423 17.614 1.00 11.52 H new ATOM 853 N MET A 57 1.122 23.180 20.749 1.00 61.42 N ATOM 854 CA MET A 57 0.044 23.916 20.099 1.00 61.12 C ATOM 855 C MET A 57 -1.034 24.304 21.106 1.00 22.20 C ATOM 856 O MET A 57 -1.171 23.698 22.169 1.00 60.42 O ATOM 857 CB MET A 57 -0.569 23.078 18.975 1.00 12.21 C ATOM 858 CG MET A 57 -0.740 21.611 19.335 1.00 54.33 C ATOM 859 SD MET A 57 -2.283 20.918 18.709 1.00 10.23 S ATOM 860 CE MET A 57 -1.925 19.165 18.793 1.00 13.24 C ATOM 0 H MET A 57 0.850 22.707 21.611 1.00 61.42 H new ATOM 0 HA MET A 57 0.465 24.828 19.675 1.00 61.12 H new ATOM 0 HB2 MET A 57 -1.541 23.495 18.711 1.00 12.21 H new ATOM 0 HB3 MET A 57 0.062 23.155 18.090 1.00 12.21 H new ATOM 0 HG2 MET A 57 0.099 21.042 18.934 1.00 54.33 H new ATOM 0 HG3 MET A 57 -0.710 21.501 20.419 1.00 54.33 H new ATOM 0 HE1 MET A 57 -2.814 18.627 19.123 1.00 13.24 H new ATOM 0 HE2 MET A 57 -1.629 18.807 17.807 1.00 13.24 H new ATOM 0 HE3 MET A 57 -1.114 18.993 19.501 1.00 13.24 H new ATOM 870 N PRO A 58 -1.817 25.338 20.767 1.00 55.13 N ATOM 871 CA PRO A 58 -2.897 25.829 21.628 1.00 1.43 C ATOM 872 C PRO A 58 -4.061 24.849 21.715 1.00 74.22 C ATOM 873 O PRO A 58 -4.848 24.887 22.660 1.00 75.54 O ATOM 874 CB PRO A 58 -3.338 27.124 20.941 1.00 41.11 C ATOM 875 CG PRO A 58 -2.962 26.941 19.511 1.00 20.11 C ATOM 876 CD PRO A 58 -1.711 26.107 19.516 1.00 44.25 C ATOM 0 HA PRO A 58 -2.566 25.968 22.657 1.00 1.43 H new ATOM 0 HB2 PRO A 58 -4.410 27.285 21.051 1.00 41.11 H new ATOM 0 HB3 PRO A 58 -2.839 27.991 21.374 1.00 41.11 H new ATOM 0 HG2 PRO A 58 -3.760 26.445 18.958 1.00 20.11 H new ATOM 0 HG3 PRO A 58 -2.789 27.902 19.027 1.00 20.11 H new ATOM 0 HD2 PRO A 58 -1.661 25.453 18.646 1.00 44.25 H new ATOM 0 HD3 PRO A 58 -0.815 26.727 19.501 1.00 44.25 H new ATOM 884 N GLY A 59 -4.165 23.970 20.722 1.00 43.40 N ATOM 885 CA GLY A 59 -5.236 22.992 20.706 1.00 72.22 C ATOM 886 C GLY A 59 -5.326 22.208 22.000 1.00 5.44 C ATOM 887 O GLY A 59 -6.153 22.510 22.860 1.00 4.02 O ATOM 0 H GLY A 59 -3.526 23.919 19.929 1.00 43.40 H new ATOM 0 HA2 GLY A 59 -6.184 23.499 20.526 1.00 72.22 H new ATOM 0 HA3 GLY A 59 -5.081 22.302 19.877 1.00 72.22 H new ATOM 891 N MET A 60 -4.473 21.199 22.139 1.00 23.51 N ATOM 892 CA MET A 60 -4.460 20.369 23.339 1.00 43.14 C ATOM 893 C MET A 60 -3.043 19.905 23.663 1.00 14.13 C ATOM 894 O MET A 60 -2.400 20.433 24.570 1.00 1.24 O ATOM 895 CB MET A 60 -5.377 19.158 23.157 1.00 64.01 C ATOM 896 CG MET A 60 -5.353 18.196 24.334 1.00 63.25 C ATOM 897 SD MET A 60 -6.959 17.437 24.643 1.00 1.43 S ATOM 898 CE MET A 60 -6.842 15.969 23.625 1.00 60.23 C ATOM 0 H MET A 60 -3.782 20.936 21.436 1.00 23.51 H new ATOM 0 HA MET A 60 -4.826 20.970 24.171 1.00 43.14 H new ATOM 0 HB2 MET A 60 -6.399 19.506 23.003 1.00 64.01 H new ATOM 0 HB3 MET A 60 -5.083 18.622 22.254 1.00 64.01 H new ATOM 0 HG2 MET A 60 -4.617 17.415 24.145 1.00 63.25 H new ATOM 0 HG3 MET A 60 -5.030 18.729 25.228 1.00 63.25 H new ATOM 0 HE1 MET A 60 -7.834 15.536 23.495 1.00 60.23 H new ATOM 0 HE2 MET A 60 -6.431 16.234 22.651 1.00 60.23 H new ATOM 0 HE3 MET A 60 -6.190 15.242 24.109 1.00 60.23 H new ATOM 908 N ASP A 61 -2.564 18.916 22.918 1.00 73.42 N ATOM 909 CA ASP A 61 -1.224 18.381 23.126 1.00 4.22 C ATOM 910 C ASP A 61 -0.935 17.243 22.152 1.00 3.04 C ATOM 911 O ASP A 61 -1.750 16.933 21.285 1.00 32.52 O ATOM 912 CB ASP A 61 -1.065 17.890 24.566 1.00 75.41 C ATOM 913 CG ASP A 61 -2.232 17.033 25.017 1.00 72.14 C ATOM 914 OD1 ASP A 61 -2.693 16.191 24.218 1.00 63.21 O ATOM 915 OD2 ASP A 61 -2.686 17.205 26.168 1.00 45.13 O ATOM 0 H ASP A 61 -3.084 18.468 22.164 1.00 73.42 H new ATOM 0 HA ASP A 61 -0.508 19.182 22.943 1.00 4.22 H new ATOM 0 HB2 ASP A 61 -0.142 17.316 24.652 1.00 75.41 H new ATOM 0 HB3 ASP A 61 -0.970 18.748 25.231 1.00 75.41 H new ATOM 920 N GLY A 62 0.233 16.625 22.302 1.00 60.23 N ATOM 921 CA GLY A 62 0.609 15.529 21.428 1.00 64.00 C ATOM 922 C GLY A 62 0.902 14.253 22.192 1.00 64.13 C ATOM 923 O GLY A 62 0.995 13.175 21.603 1.00 51.15 O ATOM 0 H GLY A 62 0.925 16.864 23.013 1.00 60.23 H new ATOM 0 HA2 GLY A 62 -0.194 15.345 20.714 1.00 64.00 H new ATOM 0 HA3 GLY A 62 1.489 15.814 20.851 1.00 64.00 H new ATOM 927 N LEU A 63 1.051 14.373 23.506 1.00 13.03 N ATOM 928 CA LEU A 63 1.337 13.220 24.353 1.00 61.35 C ATOM 929 C LEU A 63 0.052 12.489 24.731 1.00 44.53 C ATOM 930 O LEU A 63 0.018 11.261 24.785 1.00 63.40 O ATOM 931 CB LEU A 63 2.077 13.661 25.616 1.00 24.13 C ATOM 932 CG LEU A 63 3.553 14.019 25.439 1.00 24.21 C ATOM 933 CD1 LEU A 63 4.091 14.699 26.688 1.00 3.42 C ATOM 934 CD2 LEU A 63 4.368 12.776 25.114 1.00 64.41 C ATOM 0 H LEU A 63 0.979 15.257 24.009 1.00 13.03 H new ATOM 0 HA LEU A 63 1.970 12.535 23.789 1.00 61.35 H new ATOM 0 HB2 LEU A 63 1.561 14.527 26.032 1.00 24.13 H new ATOM 0 HB3 LEU A 63 2.004 12.862 26.354 1.00 24.13 H new ATOM 0 HG LEU A 63 3.640 14.715 24.605 1.00 24.21 H new ATOM 0 HD11 LEU A 63 5.143 14.946 26.543 1.00 3.42 H new ATOM 0 HD12 LEU A 63 3.526 15.612 26.877 1.00 3.42 H new ATOM 0 HD13 LEU A 63 3.990 14.027 27.540 1.00 3.42 H new ATOM 0 HD21 LEU A 63 5.416 13.050 24.991 1.00 64.41 H new ATOM 0 HD22 LEU A 63 4.274 12.056 25.927 1.00 64.41 H new ATOM 0 HD23 LEU A 63 3.999 12.330 24.190 1.00 64.41 H new ATOM 946 N ALA A 64 -1.003 13.255 24.989 1.00 21.24 N ATOM 947 CA ALA A 64 -2.291 12.681 25.358 1.00 21.41 C ATOM 948 C ALA A 64 -2.850 11.818 24.232 1.00 51.13 C ATOM 949 O ALA A 64 -3.585 10.860 24.476 1.00 54.44 O ATOM 950 CB ALA A 64 -3.276 13.782 25.720 1.00 3.54 C ATOM 0 H ALA A 64 -0.991 14.274 24.949 1.00 21.24 H new ATOM 0 HA ALA A 64 -2.140 12.043 26.229 1.00 21.41 H new ATOM 0 HB1 ALA A 64 -4.233 13.338 25.993 1.00 3.54 H new ATOM 0 HB2 ALA A 64 -2.888 14.355 26.562 1.00 3.54 H new ATOM 0 HB3 ALA A 64 -3.414 14.443 24.864 1.00 3.54 H new ATOM 956 N LEU A 65 -2.498 12.163 22.998 1.00 13.51 N ATOM 957 CA LEU A 65 -2.966 11.421 21.833 1.00 61.31 C ATOM 958 C LEU A 65 -2.056 10.231 21.544 1.00 1.13 C ATOM 959 O LEU A 65 -2.527 9.113 21.328 1.00 4.55 O ATOM 960 CB LEU A 65 -3.029 12.338 20.610 1.00 24.13 C ATOM 961 CG LEU A 65 -3.845 11.821 19.425 1.00 42.41 C ATOM 962 CD1 LEU A 65 -5.334 11.939 19.710 1.00 1.23 C ATOM 963 CD2 LEU A 65 -3.481 12.580 18.156 1.00 34.54 C ATOM 0 H LEU A 65 -1.890 12.952 22.779 1.00 13.51 H new ATOM 0 HA LEU A 65 -3.966 11.046 22.050 1.00 61.31 H new ATOM 0 HB2 LEU A 65 -3.444 13.297 20.921 1.00 24.13 H new ATOM 0 HB3 LEU A 65 -2.011 12.527 20.270 1.00 24.13 H new ATOM 0 HG LEU A 65 -3.607 10.768 19.276 1.00 42.41 H new ATOM 0 HD11 LEU A 65 -5.899 11.566 18.855 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -5.583 11.351 20.594 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -5.589 12.984 19.886 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -4.071 12.199 17.322 1.00 34.54 H new ATOM 0 HD22 LEU A 65 -3.690 13.641 18.294 1.00 34.54 H new ATOM 0 HD23 LEU A 65 -2.421 12.444 17.942 1.00 34.54 H new ATOM 975 N LEU A 66 -0.751 10.478 21.544 1.00 44.01 N ATOM 976 CA LEU A 66 0.227 9.427 21.284 1.00 31.43 C ATOM 977 C LEU A 66 0.209 8.380 22.394 1.00 11.30 C ATOM 978 O LEU A 66 0.549 7.218 22.172 1.00 1.02 O ATOM 979 CB LEU A 66 1.628 10.026 21.156 1.00 42.33 C ATOM 980 CG LEU A 66 2.743 9.052 20.773 1.00 53.03 C ATOM 981 CD1 LEU A 66 2.572 8.583 19.336 1.00 13.50 C ATOM 982 CD2 LEU A 66 4.106 9.699 20.966 1.00 64.00 C ATOM 0 H LEU A 66 -0.345 11.397 21.721 1.00 44.01 H new ATOM 0 HA LEU A 66 -0.040 8.941 20.346 1.00 31.43 H new ATOM 0 HB2 LEU A 66 1.595 10.820 20.410 1.00 42.33 H new ATOM 0 HB3 LEU A 66 1.890 10.492 22.106 1.00 42.33 H new ATOM 0 HG LEU A 66 2.680 8.182 21.427 1.00 53.03 H new ATOM 0 HD11 LEU A 66 3.374 7.891 19.081 1.00 13.50 H new ATOM 0 HD12 LEU A 66 1.611 8.080 19.229 1.00 13.50 H new ATOM 0 HD13 LEU A 66 2.608 9.442 18.666 1.00 13.50 H new ATOM 0 HD21 LEU A 66 4.887 8.991 20.689 1.00 64.00 H new ATOM 0 HD22 LEU A 66 4.180 10.586 20.337 1.00 64.00 H new ATOM 0 HD23 LEU A 66 4.229 9.984 22.011 1.00 64.00 H new ATOM 994 N LYS A 67 -0.192 8.800 23.589 1.00 32.12 N ATOM 995 CA LYS A 67 -0.259 7.900 24.734 1.00 22.51 C ATOM 996 C LYS A 67 -1.385 6.885 24.564 1.00 53.31 C ATOM 997 O LYS A 67 -1.391 5.838 25.209 1.00 31.53 O ATOM 998 CB LYS A 67 -0.466 8.696 26.024 1.00 11.22 C ATOM 999 CG LYS A 67 -0.528 7.830 27.271 1.00 45.34 C ATOM 1000 CD LYS A 67 -0.188 8.626 28.520 1.00 40.03 C ATOM 1001 CE LYS A 67 0.227 7.715 29.665 1.00 45.31 C ATOM 1002 NZ LYS A 67 -0.930 6.964 30.224 1.00 72.31 N ATOM 0 H LYS A 67 -0.476 9.759 23.790 1.00 32.12 H new ATOM 0 HA LYS A 67 0.686 7.361 24.795 1.00 22.51 H new ATOM 0 HB2 LYS A 67 0.346 9.415 26.131 1.00 11.22 H new ATOM 0 HB3 LYS A 67 -1.390 9.268 25.943 1.00 11.22 H new ATOM 0 HG2 LYS A 67 -1.527 7.404 27.370 1.00 45.34 H new ATOM 0 HG3 LYS A 67 0.166 6.995 27.170 1.00 45.34 H new ATOM 0 HD2 LYS A 67 0.619 9.325 28.299 1.00 40.03 H new ATOM 0 HD3 LYS A 67 -1.051 9.220 28.821 1.00 40.03 H new ATOM 0 HE2 LYS A 67 0.981 7.011 29.314 1.00 45.31 H new ATOM 0 HE3 LYS A 67 0.689 8.310 30.453 1.00 45.31 H new ATOM 0 HZ1 LYS A 67 -0.605 6.355 31.002 1.00 72.31 H new ATOM 0 HZ2 LYS A 67 -1.639 7.635 30.583 1.00 72.31 H new ATOM 0 HZ3 LYS A 67 -1.355 6.377 29.479 1.00 72.31 H new ATOM 1016 N GLN A 68 -2.335 7.204 23.691 1.00 73.23 N ATOM 1017 CA GLN A 68 -3.466 6.319 23.436 1.00 21.01 C ATOM 1018 C GLN A 68 -3.049 5.140 22.563 1.00 42.44 C ATOM 1019 O GLN A 68 -3.137 3.985 22.979 1.00 2.04 O ATOM 1020 CB GLN A 68 -4.603 7.090 22.763 1.00 1.35 C ATOM 1021 CG GLN A 68 -5.835 7.246 23.641 1.00 44.23 C ATOM 1022 CD GLN A 68 -7.118 7.316 22.837 1.00 33.33 C ATOM 1023 OE1 GLN A 68 -7.129 7.792 21.702 1.00 44.20 O ATOM 1024 NE2 GLN A 68 -8.210 6.839 23.424 1.00 54.35 N ATOM 0 H GLN A 68 -2.344 8.068 23.149 1.00 73.23 H new ATOM 0 HA GLN A 68 -3.815 5.933 24.394 1.00 21.01 H new ATOM 0 HB2 GLN A 68 -4.242 8.078 22.478 1.00 1.35 H new ATOM 0 HB3 GLN A 68 -4.885 6.577 21.844 1.00 1.35 H new ATOM 0 HG2 GLN A 68 -5.891 6.407 24.335 1.00 44.23 H new ATOM 0 HG3 GLN A 68 -5.737 8.151 24.241 1.00 44.23 H new ATOM 0 HE21 GLN A 68 -8.155 6.453 24.367 1.00 54.35 H new ATOM 0 HE22 GLN A 68 -9.103 6.858 22.932 1.00 54.35 H new ATOM 1033 N ILE A 69 -2.595 5.440 21.350 1.00 15.12 N ATOM 1034 CA ILE A 69 -2.164 4.405 20.419 1.00 53.01 C ATOM 1035 C ILE A 69 -1.042 3.562 21.015 1.00 34.22 C ATOM 1036 O ILE A 69 -0.812 2.428 20.594 1.00 23.13 O ATOM 1037 CB ILE A 69 -1.684 5.011 19.087 1.00 23.20 C ATOM 1038 CG1 ILE A 69 -0.626 6.087 19.343 1.00 35.11 C ATOM 1039 CG2 ILE A 69 -2.859 5.589 18.313 1.00 31.03 C ATOM 1040 CD1 ILE A 69 -0.109 6.739 18.080 1.00 73.32 C ATOM 0 H ILE A 69 -2.516 6.391 20.990 1.00 15.12 H new ATOM 0 HA ILE A 69 -3.030 3.771 20.229 1.00 53.01 H new ATOM 0 HB ILE A 69 -1.233 4.220 18.487 1.00 23.20 H new ATOM 0 HG12 ILE A 69 -1.049 6.854 19.991 1.00 35.11 H new ATOM 0 HG13 ILE A 69 0.211 5.641 19.881 1.00 35.11 H new ATOM 0 HG21 ILE A 69 -2.503 6.013 17.374 1.00 31.03 H new ATOM 0 HG22 ILE A 69 -3.581 4.799 18.104 1.00 31.03 H new ATOM 0 HG23 ILE A 69 -3.337 6.369 18.906 1.00 31.03 H new ATOM 0 HD11 ILE A 69 0.637 7.491 18.338 1.00 73.32 H new ATOM 0 HD12 ILE A 69 0.344 5.983 17.439 1.00 73.32 H new ATOM 0 HD13 ILE A 69 -0.935 7.214 17.551 1.00 73.32 H new ATOM 1052 N LYS A 70 -0.348 4.122 21.999 1.00 2.15 N ATOM 1053 CA LYS A 70 0.749 3.422 22.658 1.00 72.24 C ATOM 1054 C LYS A 70 0.244 2.176 23.379 1.00 10.31 C ATOM 1055 O LYS A 70 0.755 1.077 23.168 1.00 21.14 O ATOM 1056 CB LYS A 70 1.451 4.350 23.651 1.00 12.32 C ATOM 1057 CG LYS A 70 2.906 4.620 23.308 1.00 32.45 C ATOM 1058 CD LYS A 70 3.751 3.363 23.438 1.00 52.45 C ATOM 1059 CE LYS A 70 4.172 3.120 24.879 1.00 53.42 C ATOM 1060 NZ LYS A 70 3.752 1.775 25.360 1.00 64.13 N ATOM 0 H LYS A 70 -0.526 5.060 22.359 1.00 2.15 H new ATOM 0 HA LYS A 70 1.462 3.114 21.893 1.00 72.24 H new ATOM 0 HB2 LYS A 70 0.914 5.298 23.691 1.00 12.32 H new ATOM 0 HB3 LYS A 70 1.397 3.910 24.647 1.00 12.32 H new ATOM 0 HG2 LYS A 70 2.976 5.003 22.290 1.00 32.45 H new ATOM 0 HG3 LYS A 70 3.299 5.394 23.968 1.00 32.45 H new ATOM 0 HD2 LYS A 70 3.187 2.505 23.073 1.00 52.45 H new ATOM 0 HD3 LYS A 70 4.637 3.452 22.809 1.00 52.45 H new ATOM 0 HE2 LYS A 70 5.255 3.213 24.962 1.00 53.42 H new ATOM 0 HE3 LYS A 70 3.736 3.887 25.519 1.00 53.42 H new ATOM 0 HZ1 LYS A 70 4.057 1.648 26.346 1.00 64.13 H new ATOM 0 HZ2 LYS A 70 2.717 1.694 25.305 1.00 64.13 H new ATOM 0 HZ3 LYS A 70 4.188 1.042 24.765 1.00 64.13 H new ATOM 1074 N GLN A 71 -0.762 2.357 24.229 1.00 71.04 N ATOM 1075 CA GLN A 71 -1.336 1.247 24.980 1.00 63.32 C ATOM 1076 C GLN A 71 -2.489 0.609 24.213 1.00 73.22 C ATOM 1077 O GLN A 71 -2.857 -0.539 24.466 1.00 4.41 O ATOM 1078 CB GLN A 71 -1.821 1.726 26.349 1.00 52.33 C ATOM 1079 CG GLN A 71 -3.111 1.063 26.804 1.00 71.35 C ATOM 1080 CD GLN A 71 -3.449 1.373 28.249 1.00 61.25 C ATOM 1081 OE1 GLN A 71 -4.543 1.848 28.554 1.00 2.21 O ATOM 1082 NE2 GLN A 71 -2.509 1.104 29.147 1.00 1.32 N ATOM 0 H GLN A 71 -1.196 3.261 24.415 1.00 71.04 H new ATOM 0 HA GLN A 71 -0.558 0.496 25.121 1.00 63.32 H new ATOM 0 HB2 GLN A 71 -1.043 1.534 27.088 1.00 52.33 H new ATOM 0 HB3 GLN A 71 -1.969 2.805 26.315 1.00 52.33 H new ATOM 0 HG2 GLN A 71 -3.930 1.393 26.165 1.00 71.35 H new ATOM 0 HG3 GLN A 71 -3.024 -0.016 26.679 1.00 71.35 H new ATOM 0 HE21 GLN A 71 -1.616 0.711 28.849 1.00 1.32 H new ATOM 0 HE22 GLN A 71 -2.679 1.291 30.135 1.00 1.32 H new ATOM 1091 N ARG A 72 -3.057 1.360 23.275 1.00 62.02 N ATOM 1092 CA ARG A 72 -4.170 0.868 22.472 1.00 41.21 C ATOM 1093 C ARG A 72 -3.678 -0.081 21.384 1.00 64.43 C ATOM 1094 O ARG A 72 -4.052 -1.254 21.353 1.00 62.33 O ATOM 1095 CB ARG A 72 -4.926 2.038 21.839 1.00 31.12 C ATOM 1096 CG ARG A 72 -5.781 2.816 22.826 1.00 4.03 C ATOM 1097 CD ARG A 72 -7.246 2.809 22.421 1.00 52.45 C ATOM 1098 NE ARG A 72 -8.006 1.785 23.131 1.00 32.33 N ATOM 1099 CZ ARG A 72 -9.334 1.740 23.157 1.00 24.21 C ATOM 1100 NH1 ARG A 72 -10.044 2.657 22.515 1.00 61.22 N ATOM 1101 NH2 ARG A 72 -9.953 0.776 23.826 1.00 31.31 N ATOM 0 H ARG A 72 -2.765 2.312 23.052 1.00 62.02 H new ATOM 0 HA ARG A 72 -4.845 0.320 23.129 1.00 41.21 H new ATOM 0 HB2 ARG A 72 -4.208 2.717 21.379 1.00 31.12 H new ATOM 0 HB3 ARG A 72 -5.563 1.658 21.040 1.00 31.12 H new ATOM 0 HG2 ARG A 72 -5.675 2.383 23.821 1.00 4.03 H new ATOM 0 HG3 ARG A 72 -5.424 3.844 22.887 1.00 4.03 H new ATOM 0 HD2 ARG A 72 -7.682 3.788 22.621 1.00 52.45 H new ATOM 0 HD3 ARG A 72 -7.324 2.639 21.347 1.00 52.45 H new ATOM 0 HE ARG A 72 -7.489 1.064 23.635 1.00 32.33 H new ATOM 0 HH11 ARG A 72 -9.571 3.399 21.999 1.00 61.22 H new ATOM 0 HH12 ARG A 72 -11.063 2.620 22.536 1.00 61.22 H new ATOM 0 HH21 ARG A 72 -9.410 0.069 24.321 1.00 31.31 H new ATOM 0 HH22 ARG A 72 -10.972 0.742 23.845 1.00 31.31 H new ATOM 1115 N HIS A 73 -2.837 0.433 20.492 1.00 1.51 N ATOM 1116 CA HIS A 73 -2.293 -0.369 19.402 1.00 51.41 C ATOM 1117 C HIS A 73 -0.938 0.171 18.953 1.00 14.45 C ATOM 1118 O HIS A 73 -0.810 0.796 17.900 1.00 3.35 O ATOM 1119 CB HIS A 73 -3.264 -0.387 18.221 1.00 70.40 C ATOM 1120 CG HIS A 73 -4.237 0.752 18.227 1.00 64.50 C ATOM 1121 ND1 HIS A 73 -5.595 0.580 18.387 1.00 14.01 N ATOM 1122 CD2 HIS A 73 -4.040 2.084 18.093 1.00 13.11 C ATOM 1123 CE1 HIS A 73 -6.193 1.758 18.350 1.00 60.44 C ATOM 1124 NE2 HIS A 73 -5.271 2.687 18.173 1.00 54.14 N ATOM 0 H HIS A 73 -2.517 1.402 20.503 1.00 1.51 H new ATOM 0 HA HIS A 73 -2.156 -1.387 19.766 1.00 51.41 H new ATOM 0 HB2 HIS A 73 -2.694 -0.362 17.292 1.00 70.40 H new ATOM 0 HB3 HIS A 73 -3.817 -1.326 18.230 1.00 70.40 H new ATOM 0 HD2 HIS A 73 -3.092 2.580 17.950 1.00 13.11 H new ATOM 0 HE1 HIS A 73 -7.254 1.931 18.448 1.00 60.44 H new ATOM 0 HE2 HIS A 73 -5.445 3.690 18.107 1.00 54.14 H new ATOM 1132 N PRO A 74 0.097 -0.073 19.771 1.00 72.45 N ATOM 1133 CA PRO A 74 1.460 0.380 19.479 1.00 70.13 C ATOM 1134 C PRO A 74 2.082 -0.370 18.306 1.00 72.42 C ATOM 1135 O PRO A 74 3.178 -0.039 17.856 1.00 2.21 O ATOM 1136 CB PRO A 74 2.220 0.075 20.772 1.00 72.30 C ATOM 1137 CG PRO A 74 1.458 -1.038 21.405 1.00 12.24 C ATOM 1138 CD PRO A 74 0.016 -0.812 21.042 1.00 63.01 C ATOM 0 HA PRO A 74 1.487 1.431 19.190 1.00 70.13 H new ATOM 0 HB2 PRO A 74 3.250 -0.217 20.567 1.00 72.30 H new ATOM 0 HB3 PRO A 74 2.260 0.948 21.423 1.00 72.30 H new ATOM 0 HG2 PRO A 74 1.805 -2.005 21.041 1.00 12.24 H new ATOM 0 HG3 PRO A 74 1.593 -1.038 22.487 1.00 12.24 H new ATOM 0 HD2 PRO A 74 -0.522 -1.753 20.926 1.00 63.01 H new ATOM 0 HD3 PRO A 74 -0.506 -0.239 21.808 1.00 63.01 H new ATOM 1146 N MET A 75 1.374 -1.383 17.815 1.00 41.52 N ATOM 1147 CA MET A 75 1.857 -2.179 16.692 1.00 1.44 C ATOM 1148 C MET A 75 1.907 -1.345 15.416 1.00 12.21 C ATOM 1149 O MET A 75 2.605 -1.692 14.462 1.00 31.04 O ATOM 1150 CB MET A 75 0.960 -3.400 16.483 1.00 63.33 C ATOM 1151 CG MET A 75 -0.473 -3.047 16.121 1.00 13.04 C ATOM 1152 SD MET A 75 -1.038 -3.881 14.626 1.00 52.32 S ATOM 1153 CE MET A 75 -0.346 -2.816 13.363 1.00 53.14 C ATOM 0 H MET A 75 0.465 -1.672 18.177 1.00 41.52 H new ATOM 0 HA MET A 75 2.868 -2.515 16.924 1.00 1.44 H new ATOM 0 HB2 MET A 75 1.383 -4.020 15.693 1.00 63.33 H new ATOM 0 HB3 MET A 75 0.959 -4.000 17.393 1.00 63.33 H new ATOM 0 HG2 MET A 75 -1.129 -3.312 16.950 1.00 13.04 H new ATOM 0 HG3 MET A 75 -0.554 -1.969 15.983 1.00 13.04 H new ATOM 0 HE1 MET A 75 -0.818 -3.034 12.405 1.00 53.14 H new ATOM 0 HE2 MET A 75 -0.526 -1.774 13.627 1.00 53.14 H new ATOM 0 HE3 MET A 75 0.727 -2.991 13.287 1.00 53.14 H new ATOM 1163 N LEU A 76 1.163 -0.244 15.404 1.00 33.53 N ATOM 1164 CA LEU A 76 1.122 0.639 14.244 1.00 11.23 C ATOM 1165 C LEU A 76 2.233 1.682 14.315 1.00 54.21 C ATOM 1166 O LEU A 76 2.623 2.137 15.390 1.00 12.43 O ATOM 1167 CB LEU A 76 -0.239 1.332 14.154 1.00 41.02 C ATOM 1168 CG LEU A 76 -0.388 2.625 14.956 1.00 52.43 C ATOM 1169 CD1 LEU A 76 -0.366 3.832 14.031 1.00 43.51 C ATOM 1170 CD2 LEU A 76 -1.672 2.601 15.773 1.00 43.11 C ATOM 0 H LEU A 76 0.580 0.058 16.185 1.00 33.53 H new ATOM 0 HA LEU A 76 1.274 0.033 13.351 1.00 11.23 H new ATOM 0 HB2 LEU A 76 -0.444 1.552 13.106 1.00 41.02 H new ATOM 0 HB3 LEU A 76 -1.004 0.631 14.488 1.00 41.02 H new ATOM 0 HG LEU A 76 0.455 2.703 15.643 1.00 52.43 H new ATOM 0 HD11 LEU A 76 -0.473 4.743 14.619 1.00 43.51 H new ATOM 0 HD12 LEU A 76 0.580 3.859 13.490 1.00 43.51 H new ATOM 0 HD13 LEU A 76 -1.189 3.760 13.320 1.00 43.51 H new ATOM 0 HD21 LEU A 76 -1.761 3.529 16.337 1.00 43.11 H new ATOM 0 HD22 LEU A 76 -2.527 2.499 15.104 1.00 43.11 H new ATOM 0 HD23 LEU A 76 -1.648 1.758 16.463 1.00 43.11 H new ATOM 1182 N PRO A 77 2.754 2.073 13.142 1.00 33.52 N ATOM 1183 CA PRO A 77 3.825 3.069 13.044 1.00 32.53 C ATOM 1184 C PRO A 77 3.349 4.470 13.411 1.00 75.03 C ATOM 1185 O PRO A 77 2.203 4.836 13.146 1.00 4.41 O ATOM 1186 CB PRO A 77 4.230 3.010 11.569 1.00 12.02 C ATOM 1187 CG PRO A 77 3.017 2.510 10.863 1.00 21.00 C ATOM 1188 CD PRO A 77 2.337 1.572 11.822 1.00 70.04 C ATOM 0 HA PRO A 77 4.643 2.858 13.733 1.00 32.53 H new ATOM 0 HB2 PRO A 77 4.526 3.992 11.200 1.00 12.02 H new ATOM 0 HB3 PRO A 77 5.079 2.343 11.418 1.00 12.02 H new ATOM 0 HG2 PRO A 77 2.358 3.334 10.589 1.00 21.00 H new ATOM 0 HG3 PRO A 77 3.286 1.997 9.940 1.00 21.00 H new ATOM 0 HD2 PRO A 77 1.253 1.596 11.707 1.00 70.04 H new ATOM 0 HD3 PRO A 77 2.652 0.540 11.666 1.00 70.04 H new ATOM 1196 N VAL A 78 4.235 5.251 14.021 1.00 73.40 N ATOM 1197 CA VAL A 78 3.905 6.613 14.422 1.00 20.14 C ATOM 1198 C VAL A 78 5.116 7.531 14.297 1.00 32.13 C ATOM 1199 O VAL A 78 6.258 7.090 14.429 1.00 71.35 O ATOM 1200 CB VAL A 78 3.386 6.661 15.872 1.00 73.14 C ATOM 1201 CG1 VAL A 78 2.865 8.050 16.207 1.00 53.24 C ATOM 1202 CG2 VAL A 78 2.305 5.612 16.085 1.00 61.41 C ATOM 0 H VAL A 78 5.187 4.963 14.248 1.00 73.40 H new ATOM 0 HA VAL A 78 3.119 6.959 13.751 1.00 20.14 H new ATOM 0 HB VAL A 78 4.215 6.438 16.544 1.00 73.14 H new ATOM 0 HG11 VAL A 78 2.503 8.065 17.235 1.00 53.24 H new ATOM 0 HG12 VAL A 78 3.669 8.777 16.095 1.00 53.24 H new ATOM 0 HG13 VAL A 78 2.049 8.305 15.531 1.00 53.24 H new ATOM 0 HG21 VAL A 78 1.950 5.660 17.114 1.00 61.41 H new ATOM 0 HG22 VAL A 78 1.475 5.802 15.405 1.00 61.41 H new ATOM 0 HG23 VAL A 78 2.715 4.622 15.888 1.00 61.41 H new ATOM 1212 N ILE A 79 4.858 8.809 14.043 1.00 2.45 N ATOM 1213 CA ILE A 79 5.927 9.790 13.902 1.00 2.24 C ATOM 1214 C ILE A 79 5.682 11.003 14.793 1.00 13.05 C ATOM 1215 O ILE A 79 4.540 11.418 14.993 1.00 53.44 O ATOM 1216 CB ILE A 79 6.071 10.260 12.443 1.00 50.22 C ATOM 1217 CG1 ILE A 79 6.331 9.066 11.523 1.00 63.23 C ATOM 1218 CG2 ILE A 79 7.192 11.282 12.323 1.00 32.04 C ATOM 1219 CD1 ILE A 79 6.347 9.427 10.054 1.00 61.22 C ATOM 0 H ILE A 79 3.918 9.190 13.931 1.00 2.45 H new ATOM 0 HA ILE A 79 6.849 9.297 14.209 1.00 2.24 H new ATOM 0 HB ILE A 79 5.139 10.735 12.137 1.00 50.22 H new ATOM 0 HG12 ILE A 79 7.287 8.615 11.788 1.00 63.23 H new ATOM 0 HG13 ILE A 79 5.564 8.311 11.695 1.00 63.23 H new ATOM 0 HG21 ILE A 79 7.281 11.604 11.286 1.00 32.04 H new ATOM 0 HG22 ILE A 79 6.968 12.143 12.953 1.00 32.04 H new ATOM 0 HG23 ILE A 79 8.131 10.832 12.645 1.00 32.04 H new ATOM 0 HD11 ILE A 79 6.537 8.532 9.461 1.00 61.22 H new ATOM 0 HD12 ILE A 79 5.383 9.851 9.773 1.00 61.22 H new ATOM 0 HD13 ILE A 79 7.133 10.159 9.868 1.00 61.22 H new ATOM 1231 N ILE A 80 6.760 11.567 15.326 1.00 45.45 N ATOM 1232 CA ILE A 80 6.662 12.735 16.193 1.00 62.21 C ATOM 1233 C ILE A 80 7.091 14.002 15.460 1.00 24.55 C ATOM 1234 O ILE A 80 8.162 14.048 14.855 1.00 74.12 O ATOM 1235 CB ILE A 80 7.524 12.570 17.458 1.00 23.14 C ATOM 1236 CG1 ILE A 80 7.338 11.171 18.050 1.00 44.11 C ATOM 1237 CG2 ILE A 80 7.169 13.636 18.484 1.00 50.11 C ATOM 1238 CD1 ILE A 80 5.900 10.842 18.382 1.00 71.32 C ATOM 0 H ILE A 80 7.712 11.234 15.173 1.00 45.45 H new ATOM 0 HA ILE A 80 5.616 12.824 16.485 1.00 62.21 H new ATOM 0 HB ILE A 80 8.572 12.692 17.184 1.00 23.14 H new ATOM 0 HG12 ILE A 80 7.717 10.433 17.343 1.00 44.11 H new ATOM 0 HG13 ILE A 80 7.940 11.085 18.955 1.00 44.11 H new ATOM 0 HG21 ILE A 80 7.787 13.506 19.372 1.00 50.11 H new ATOM 0 HG22 ILE A 80 7.348 14.624 18.059 1.00 50.11 H new ATOM 0 HG23 ILE A 80 6.118 13.543 18.756 1.00 50.11 H new ATOM 0 HD11 ILE A 80 5.843 9.836 18.797 1.00 71.32 H new ATOM 0 HD12 ILE A 80 5.522 11.558 19.112 1.00 71.32 H new ATOM 0 HD13 ILE A 80 5.296 10.895 17.476 1.00 71.32 H new ATOM 1250 N MET A 81 6.250 15.028 15.522 1.00 15.01 N ATOM 1251 CA MET A 81 6.543 16.297 14.867 1.00 45.31 C ATOM 1252 C MET A 81 6.304 17.467 15.816 1.00 1.30 C ATOM 1253 O MET A 81 5.203 17.641 16.339 1.00 12.01 O ATOM 1254 CB MET A 81 5.683 16.459 13.612 1.00 4.21 C ATOM 1255 CG MET A 81 5.586 17.895 13.123 1.00 43.20 C ATOM 1256 SD MET A 81 4.745 18.032 11.534 1.00 12.42 S ATOM 1257 CE MET A 81 3.089 17.518 11.983 1.00 72.03 C ATOM 0 H MET A 81 5.360 15.006 16.019 1.00 15.01 H new ATOM 0 HA MET A 81 7.594 16.294 14.580 1.00 45.31 H new ATOM 0 HB2 MET A 81 6.096 15.840 12.816 1.00 4.21 H new ATOM 0 HB3 MET A 81 4.680 16.085 13.818 1.00 4.21 H new ATOM 0 HG2 MET A 81 5.054 18.492 13.864 1.00 43.20 H new ATOM 0 HG3 MET A 81 6.589 18.314 13.036 1.00 43.20 H new ATOM 0 HE1 MET A 81 2.682 16.877 11.201 1.00 72.03 H new ATOM 0 HE2 MET A 81 3.121 16.968 12.923 1.00 72.03 H new ATOM 0 HE3 MET A 81 2.454 18.396 12.098 1.00 72.03 H new ATOM 1267 N THR A 82 7.342 18.268 16.035 1.00 5.10 N ATOM 1268 CA THR A 82 7.245 19.420 16.922 1.00 3.31 C ATOM 1269 C THR A 82 8.547 20.213 16.938 1.00 2.13 C ATOM 1270 O THR A 82 9.451 19.957 16.143 1.00 31.34 O ATOM 1271 CB THR A 82 6.899 18.994 18.361 1.00 23.22 C ATOM 1272 OG1 THR A 82 6.509 20.137 19.131 1.00 64.24 O ATOM 1273 CG2 THR A 82 8.087 18.311 19.024 1.00 55.24 C ATOM 0 H THR A 82 8.260 18.140 15.610 1.00 5.10 H new ATOM 0 HA THR A 82 6.444 20.050 16.535 1.00 3.31 H new ATOM 0 HB THR A 82 6.071 18.287 18.317 1.00 23.22 H new ATOM 0 HG1 THR A 82 6.051 20.781 18.552 1.00 64.24 H new ATOM 0 HG21 THR A 82 7.819 18.019 20.039 1.00 55.24 H new ATOM 0 HG22 THR A 82 8.363 17.425 18.452 1.00 55.24 H new ATOM 0 HG23 THR A 82 8.931 18.999 19.056 1.00 55.24 H new ATOM 1281 N ALA A 83 8.636 21.177 17.849 1.00 25.21 N ATOM 1282 CA ALA A 83 9.830 22.005 17.970 1.00 14.23 C ATOM 1283 C ALA A 83 10.674 21.580 19.167 1.00 61.13 C ATOM 1284 O ALA A 83 10.502 20.485 19.703 1.00 61.31 O ATOM 1285 CB ALA A 83 9.444 23.472 18.089 1.00 52.20 C ATOM 0 H ALA A 83 7.896 21.404 18.513 1.00 25.21 H new ATOM 0 HA ALA A 83 10.429 21.869 17.070 1.00 14.23 H new ATOM 0 HB1 ALA A 83 10.345 24.079 18.179 1.00 52.20 H new ATOM 0 HB2 ALA A 83 8.889 23.775 17.201 1.00 52.20 H new ATOM 0 HB3 ALA A 83 8.821 23.614 18.972 1.00 52.20 H new ATOM 1291 N HIS A 84 11.588 22.452 19.580 1.00 13.44 N ATOM 1292 CA HIS A 84 12.460 22.166 20.714 1.00 14.42 C ATOM 1293 C HIS A 84 11.655 22.068 22.007 1.00 43.40 C ATOM 1294 O HIS A 84 12.171 21.639 23.039 1.00 34.30 O ATOM 1295 CB HIS A 84 13.530 23.250 20.847 1.00 25.31 C ATOM 1296 CG HIS A 84 12.992 24.572 21.300 1.00 71.13 C ATOM 1297 ND1 HIS A 84 13.713 25.452 22.079 1.00 64.51 N ATOM 1298 CD2 HIS A 84 11.795 25.164 21.077 1.00 61.43 C ATOM 1299 CE1 HIS A 84 12.983 26.526 22.317 1.00 0.22 C ATOM 1300 NE2 HIS A 84 11.815 26.377 21.720 1.00 74.23 N ATOM 0 H HIS A 84 11.744 23.362 19.147 1.00 13.44 H new ATOM 0 HA HIS A 84 12.945 21.207 20.535 1.00 14.42 H new ATOM 0 HB2 HIS A 84 14.289 22.915 21.554 1.00 25.31 H new ATOM 0 HB3 HIS A 84 14.026 23.379 19.885 1.00 25.31 H new ATOM 0 HD2 HIS A 84 10.977 24.758 20.501 1.00 61.43 H new ATOM 0 HE1 HIS A 84 13.289 27.381 22.901 1.00 0.22 H new ATOM 0 HE2 HIS A 84 11.051 27.053 21.734 1.00 74.23 H new ATOM 1308 N SER A 85 10.390 22.470 21.943 1.00 51.30 N ATOM 1309 CA SER A 85 9.516 22.432 23.109 1.00 13.05 C ATOM 1310 C SER A 85 9.616 21.085 23.819 1.00 13.22 C ATOM 1311 O SER A 85 9.500 21.006 25.042 1.00 22.43 O ATOM 1312 CB SER A 85 8.067 22.697 22.696 1.00 12.32 C ATOM 1313 OG SER A 85 7.469 23.673 23.532 1.00 53.35 O ATOM 0 H SER A 85 9.947 22.826 21.096 1.00 51.30 H new ATOM 0 HA SER A 85 9.838 23.212 23.799 1.00 13.05 H new ATOM 0 HB2 SER A 85 8.037 23.033 21.660 1.00 12.32 H new ATOM 0 HB3 SER A 85 7.496 21.770 22.747 1.00 12.32 H new ATOM 0 HG SER A 85 6.493 23.602 23.471 1.00 53.35 H new ATOM 1319 N ASP A 86 9.831 20.029 23.043 1.00 50.23 N ATOM 1320 CA ASP A 86 9.948 18.685 23.596 1.00 72.35 C ATOM 1321 C ASP A 86 10.901 17.835 22.761 1.00 73.13 C ATOM 1322 O ASP A 86 10.511 16.802 22.214 1.00 44.23 O ATOM 1323 CB ASP A 86 8.574 18.016 23.662 1.00 13.40 C ATOM 1324 CG ASP A 86 8.469 17.020 24.800 1.00 62.45 C ATOM 1325 OD1 ASP A 86 9.372 16.167 24.925 1.00 22.41 O ATOM 1326 OD2 ASP A 86 7.484 17.092 25.564 1.00 72.04 O ATOM 0 H ASP A 86 9.928 20.078 22.029 1.00 50.23 H new ATOM 0 HA ASP A 86 10.352 18.768 24.605 1.00 72.35 H new ATOM 0 HB2 ASP A 86 7.806 18.781 23.780 1.00 13.40 H new ATOM 0 HB3 ASP A 86 8.375 17.508 22.719 1.00 13.40 H new ATOM 1331 N LEU A 87 12.150 18.276 22.666 1.00 1.10 N ATOM 1332 CA LEU A 87 13.159 17.557 21.897 1.00 64.43 C ATOM 1333 C LEU A 87 13.692 16.361 22.681 1.00 50.53 C ATOM 1334 O LEU A 87 14.141 15.374 22.098 1.00 52.32 O ATOM 1335 CB LEU A 87 14.311 18.493 21.528 1.00 41.24 C ATOM 1336 CG LEU A 87 15.543 17.831 20.908 1.00 15.04 C ATOM 1337 CD1 LEU A 87 15.241 17.359 19.495 1.00 54.05 C ATOM 1338 CD2 LEU A 87 16.723 18.792 20.911 1.00 32.43 C ATOM 0 H LEU A 87 12.488 19.129 23.112 1.00 1.10 H new ATOM 0 HA LEU A 87 12.690 17.190 20.984 1.00 64.43 H new ATOM 0 HB2 LEU A 87 13.935 19.241 20.830 1.00 41.24 H new ATOM 0 HB3 LEU A 87 14.623 19.024 22.427 1.00 41.24 H new ATOM 0 HG LEU A 87 15.807 16.962 21.510 1.00 15.04 H new ATOM 0 HD11 LEU A 87 16.129 16.891 19.070 1.00 54.05 H new ATOM 0 HD12 LEU A 87 14.426 16.636 19.519 1.00 54.05 H new ATOM 0 HD13 LEU A 87 14.951 18.212 18.881 1.00 54.05 H new ATOM 0 HD21 LEU A 87 17.591 18.304 20.466 1.00 32.43 H new ATOM 0 HD22 LEU A 87 16.470 19.681 20.333 1.00 32.43 H new ATOM 0 HD23 LEU A 87 16.955 19.080 21.936 1.00 32.43 H new ATOM 1350 N ASP A 88 13.637 16.457 24.004 1.00 1.05 N ATOM 1351 CA ASP A 88 14.111 15.382 24.869 1.00 52.40 C ATOM 1352 C ASP A 88 13.408 14.069 24.539 1.00 51.43 C ATOM 1353 O ASP A 88 13.982 12.991 24.691 1.00 14.41 O ATOM 1354 CB ASP A 88 13.882 15.742 26.338 1.00 42.22 C ATOM 1355 CG ASP A 88 12.437 15.564 26.759 1.00 31.44 C ATOM 1356 OD1 ASP A 88 12.078 14.447 27.189 1.00 43.41 O ATOM 1357 OD2 ASP A 88 11.664 16.540 26.659 1.00 22.21 O ATOM 0 H ASP A 88 13.269 17.268 24.502 1.00 1.05 H new ATOM 0 HA ASP A 88 15.180 15.255 24.696 1.00 52.40 H new ATOM 0 HB2 ASP A 88 14.520 15.119 26.965 1.00 42.22 H new ATOM 0 HB3 ASP A 88 14.182 16.776 26.507 1.00 42.22 H new ATOM 1362 N ALA A 89 12.162 14.168 24.087 1.00 41.54 N ATOM 1363 CA ALA A 89 11.381 12.989 23.734 1.00 3.21 C ATOM 1364 C ALA A 89 11.842 12.403 22.404 1.00 50.43 C ATOM 1365 O ALA A 89 11.600 11.232 22.113 1.00 0.25 O ATOM 1366 CB ALA A 89 9.901 13.334 23.677 1.00 54.45 C ATOM 0 H ALA A 89 11.672 15.053 23.957 1.00 41.54 H new ATOM 0 HA ALA A 89 11.537 12.236 24.506 1.00 3.21 H new ATOM 0 HB1 ALA A 89 9.330 12.444 23.412 1.00 54.45 H new ATOM 0 HB2 ALA A 89 9.575 13.698 24.651 1.00 54.45 H new ATOM 0 HB3 ALA A 89 9.736 14.107 22.927 1.00 54.45 H new ATOM 1372 N ALA A 90 12.506 13.226 21.599 1.00 62.05 N ATOM 1373 CA ALA A 90 13.002 12.788 20.299 1.00 13.54 C ATOM 1374 C ALA A 90 13.881 11.550 20.436 1.00 44.41 C ATOM 1375 O ALA A 90 13.914 10.699 19.548 1.00 71.53 O ATOM 1376 CB ALA A 90 13.771 13.913 19.622 1.00 20.20 C ATOM 0 H ALA A 90 12.713 14.199 21.824 1.00 62.05 H new ATOM 0 HA ALA A 90 12.145 12.525 19.679 1.00 13.54 H new ATOM 0 HB1 ALA A 90 14.136 13.573 18.653 1.00 20.20 H new ATOM 0 HB2 ALA A 90 13.113 14.770 19.481 1.00 20.20 H new ATOM 0 HB3 ALA A 90 14.616 14.203 20.246 1.00 20.20 H new ATOM 1382 N VAL A 91 14.595 11.457 21.554 1.00 54.12 N ATOM 1383 CA VAL A 91 15.475 10.323 21.807 1.00 72.44 C ATOM 1384 C VAL A 91 14.711 9.165 22.439 1.00 71.40 C ATOM 1385 O VAL A 91 14.703 8.052 21.913 1.00 74.14 O ATOM 1386 CB VAL A 91 16.645 10.715 22.728 1.00 64.24 C ATOM 1387 CG1 VAL A 91 17.679 9.600 22.781 1.00 4.42 C ATOM 1388 CG2 VAL A 91 17.277 12.017 22.260 1.00 1.33 C ATOM 0 H VAL A 91 14.581 12.154 22.299 1.00 54.12 H new ATOM 0 HA VAL A 91 15.872 10.009 20.842 1.00 72.44 H new ATOM 0 HB VAL A 91 16.257 10.867 23.735 1.00 64.24 H new ATOM 0 HG11 VAL A 91 18.499 9.895 23.437 1.00 4.42 H new ATOM 0 HG12 VAL A 91 17.215 8.692 23.166 1.00 4.42 H new ATOM 0 HG13 VAL A 91 18.065 9.414 21.779 1.00 4.42 H new ATOM 0 HG21 VAL A 91 18.102 12.279 22.922 1.00 1.33 H new ATOM 0 HG22 VAL A 91 17.652 11.895 21.244 1.00 1.33 H new ATOM 0 HG23 VAL A 91 16.530 12.811 22.278 1.00 1.33 H new ATOM 1398 N SER A 92 14.069 9.434 23.571 1.00 3.34 N ATOM 1399 CA SER A 92 13.304 8.414 24.278 1.00 24.32 C ATOM 1400 C SER A 92 12.319 7.725 23.339 1.00 41.24 C ATOM 1401 O SER A 92 12.141 6.509 23.392 1.00 73.24 O ATOM 1402 CB SER A 92 12.553 9.035 25.457 1.00 21.24 C ATOM 1403 OG SER A 92 13.331 10.039 26.086 1.00 53.24 O ATOM 0 H SER A 92 14.063 10.351 24.019 1.00 3.34 H new ATOM 0 HA SER A 92 14.003 7.667 24.655 1.00 24.32 H new ATOM 0 HB2 SER A 92 11.613 9.464 25.108 1.00 21.24 H new ATOM 0 HB3 SER A 92 12.301 8.260 26.180 1.00 21.24 H new ATOM 0 HG SER A 92 12.828 10.421 26.835 1.00 53.24 H new ATOM 1409 N ALA A 93 11.682 8.513 22.479 1.00 51.31 N ATOM 1410 CA ALA A 93 10.716 7.981 21.526 1.00 61.22 C ATOM 1411 C ALA A 93 11.306 6.815 20.740 1.00 61.22 C ATOM 1412 O ALA A 93 10.660 5.781 20.565 1.00 43.30 O ATOM 1413 CB ALA A 93 10.250 9.076 20.578 1.00 3.54 C ATOM 0 H ALA A 93 11.818 9.522 22.423 1.00 51.31 H new ATOM 0 HA ALA A 93 9.857 7.611 22.086 1.00 61.22 H new ATOM 0 HB1 ALA A 93 9.529 8.664 19.872 1.00 3.54 H new ATOM 0 HB2 ALA A 93 9.781 9.877 21.150 1.00 3.54 H new ATOM 0 HB3 ALA A 93 11.106 9.473 20.032 1.00 3.54 H new ATOM 1419 N TYR A 94 12.536 6.988 20.267 1.00 35.15 N ATOM 1420 CA TYR A 94 13.211 5.951 19.497 1.00 63.20 C ATOM 1421 C TYR A 94 13.310 4.655 20.297 1.00 44.33 C ATOM 1422 O TYR A 94 13.119 3.565 19.758 1.00 4.42 O ATOM 1423 CB TYR A 94 14.609 6.419 19.088 1.00 31.10 C ATOM 1424 CG TYR A 94 14.601 7.479 18.010 1.00 0.43 C ATOM 1425 CD1 TYR A 94 13.820 7.334 16.870 1.00 24.13 C ATOM 1426 CD2 TYR A 94 15.374 8.628 18.133 1.00 72.32 C ATOM 1427 CE1 TYR A 94 13.811 8.300 15.883 1.00 31.00 C ATOM 1428 CE2 TYR A 94 15.369 9.600 17.151 1.00 24.22 C ATOM 1429 CZ TYR A 94 14.587 9.431 16.028 1.00 12.10 C ATOM 1430 OH TYR A 94 14.579 10.396 15.047 1.00 11.54 O ATOM 0 H TYR A 94 13.085 7.837 20.404 1.00 35.15 H new ATOM 0 HA TYR A 94 12.622 5.759 18.600 1.00 63.20 H new ATOM 0 HB2 TYR A 94 15.124 6.809 19.966 1.00 31.10 H new ATOM 0 HB3 TYR A 94 15.182 5.561 18.738 1.00 31.10 H new ATOM 0 HD1 TYR A 94 13.209 6.451 16.754 1.00 24.13 H new ATOM 0 HD2 TYR A 94 15.989 8.763 19.011 1.00 72.32 H new ATOM 0 HE1 TYR A 94 13.200 8.170 15.002 1.00 31.00 H new ATOM 0 HE2 TYR A 94 15.974 10.487 17.262 1.00 24.22 H new ATOM 0 HH TYR A 94 15.178 11.128 15.303 1.00 11.54 H new ATOM 1440 N GLN A 95 13.610 4.784 21.585 1.00 11.52 N ATOM 1441 CA GLN A 95 13.735 3.625 22.460 1.00 74.40 C ATOM 1442 C GLN A 95 12.373 2.986 22.714 1.00 22.14 C ATOM 1443 O GLN A 95 12.284 1.800 23.030 1.00 73.34 O ATOM 1444 CB GLN A 95 14.378 4.028 23.788 1.00 62.32 C ATOM 1445 CG GLN A 95 15.808 4.523 23.645 1.00 24.10 C ATOM 1446 CD GLN A 95 16.621 4.331 24.910 1.00 25.20 C ATOM 1447 OE1 GLN A 95 16.168 3.697 25.863 1.00 33.02 O ATOM 1448 NE2 GLN A 95 17.831 4.878 24.925 1.00 1.55 N ATOM 0 H GLN A 95 13.771 5.680 22.046 1.00 11.52 H new ATOM 0 HA GLN A 95 14.373 2.894 21.963 1.00 74.40 H new ATOM 0 HB2 GLN A 95 13.776 4.810 24.251 1.00 62.32 H new ATOM 0 HB3 GLN A 95 14.364 3.173 24.463 1.00 62.32 H new ATOM 0 HG2 GLN A 95 16.291 3.994 22.823 1.00 24.10 H new ATOM 0 HG3 GLN A 95 15.798 5.581 23.381 1.00 24.10 H new ATOM 0 HE21 GLN A 95 18.167 5.395 24.113 1.00 1.55 H new ATOM 0 HE22 GLN A 95 18.424 4.781 25.749 1.00 1.55 H new ATOM 1457 N GLN A 96 11.317 3.781 22.576 1.00 70.42 N ATOM 1458 CA GLN A 96 9.960 3.292 22.792 1.00 23.10 C ATOM 1459 C GLN A 96 9.422 2.608 21.540 1.00 51.24 C ATOM 1460 O GLN A 96 8.415 1.903 21.589 1.00 23.44 O ATOM 1461 CB GLN A 96 9.039 4.444 23.194 1.00 14.55 C ATOM 1462 CG GLN A 96 8.480 4.313 24.602 1.00 14.31 C ATOM 1463 CD GLN A 96 7.782 5.574 25.073 1.00 43.41 C ATOM 1464 OE1 GLN A 96 7.992 6.031 26.197 1.00 45.11 O ATOM 1465 NE2 GLN A 96 6.946 6.145 24.213 1.00 4.13 N ATOM 0 H GLN A 96 11.375 4.766 22.316 1.00 70.42 H new ATOM 0 HA GLN A 96 9.988 2.560 23.599 1.00 23.10 H new ATOM 0 HB2 GLN A 96 9.589 5.382 23.116 1.00 14.55 H new ATOM 0 HB3 GLN A 96 8.211 4.500 22.487 1.00 14.55 H new ATOM 0 HG2 GLN A 96 7.778 3.480 24.634 1.00 14.31 H new ATOM 0 HG3 GLN A 96 9.291 4.073 25.290 1.00 14.31 H new ATOM 0 HE21 GLN A 96 6.802 5.732 23.291 1.00 4.13 H new ATOM 0 HE22 GLN A 96 6.448 6.996 24.474 1.00 4.13 H new ATOM 1474 N GLY A 97 10.100 2.823 20.416 1.00 72.10 N ATOM 1475 CA GLY A 97 9.674 2.221 19.166 1.00 31.21 C ATOM 1476 C GLY A 97 9.285 3.254 18.127 1.00 4.35 C ATOM 1477 O GLY A 97 8.582 2.944 17.167 1.00 54.32 O ATOM 0 H GLY A 97 10.936 3.403 20.349 1.00 72.10 H new ATOM 0 HA2 GLY A 97 10.479 1.600 18.773 1.00 31.21 H new ATOM 0 HA3 GLY A 97 8.826 1.562 19.354 1.00 31.21 H new ATOM 1481 N ALA A 98 9.743 4.487 18.321 1.00 24.31 N ATOM 1482 CA ALA A 98 9.440 5.569 17.393 1.00 12.12 C ATOM 1483 C ALA A 98 9.999 5.275 16.005 1.00 15.21 C ATOM 1484 O ALA A 98 10.870 4.420 15.844 1.00 51.41 O ATOM 1485 CB ALA A 98 9.993 6.886 17.919 1.00 75.51 C ATOM 0 H ALA A 98 10.325 4.761 19.113 1.00 24.31 H new ATOM 0 HA ALA A 98 8.356 5.650 17.310 1.00 12.12 H new ATOM 0 HB1 ALA A 98 9.759 7.685 17.216 1.00 75.51 H new ATOM 0 HB2 ALA A 98 9.542 7.110 18.886 1.00 75.51 H new ATOM 0 HB3 ALA A 98 11.074 6.807 18.033 1.00 75.51 H new ATOM 1491 N PHE A 99 9.491 5.988 15.005 1.00 2.20 N ATOM 1492 CA PHE A 99 9.939 5.802 13.630 1.00 52.34 C ATOM 1493 C PHE A 99 10.953 6.873 13.239 1.00 65.35 C ATOM 1494 O PHE A 99 12.085 6.564 12.865 1.00 22.43 O ATOM 1495 CB PHE A 99 8.745 5.841 12.673 1.00 43.01 C ATOM 1496 CG PHE A 99 9.056 5.306 11.304 1.00 24.04 C ATOM 1497 CD1 PHE A 99 9.206 3.944 11.096 1.00 0.31 C ATOM 1498 CD2 PHE A 99 9.199 6.164 10.226 1.00 12.53 C ATOM 1499 CE1 PHE A 99 9.493 3.450 9.838 1.00 61.41 C ATOM 1500 CE2 PHE A 99 9.485 5.675 8.966 1.00 45.54 C ATOM 1501 CZ PHE A 99 9.632 4.316 8.771 1.00 12.02 C ATOM 0 H PHE A 99 8.769 6.699 15.121 1.00 2.20 H new ATOM 0 HA PHE A 99 10.421 4.827 13.560 1.00 52.34 H new ATOM 0 HB2 PHE A 99 7.926 5.264 13.103 1.00 43.01 H new ATOM 0 HB3 PHE A 99 8.396 6.870 12.582 1.00 43.01 H new ATOM 0 HD1 PHE A 99 9.097 3.262 11.926 1.00 0.31 H new ATOM 0 HD2 PHE A 99 9.086 7.228 10.372 1.00 12.53 H new ATOM 0 HE1 PHE A 99 9.609 2.387 9.689 1.00 61.41 H new ATOM 0 HE2 PHE A 99 9.594 6.355 8.134 1.00 45.54 H new ATOM 0 HZ PHE A 99 9.855 3.931 7.787 1.00 12.02 H new ATOM 1511 N ASP A 100 10.539 8.132 13.326 1.00 24.13 N ATOM 1512 CA ASP A 100 11.411 9.249 12.982 1.00 2.14 C ATOM 1513 C ASP A 100 10.877 10.554 13.564 1.00 2.24 C ATOM 1514 O ASP A 100 9.806 10.583 14.171 1.00 24.24 O ATOM 1515 CB ASP A 100 11.545 9.371 11.464 1.00 61.44 C ATOM 1516 CG ASP A 100 12.655 8.500 10.909 1.00 61.22 C ATOM 1517 OD1 ASP A 100 13.832 8.906 11.005 1.00 12.13 O ATOM 1518 OD2 ASP A 100 12.347 7.412 10.377 1.00 1.32 O ATOM 0 H ASP A 100 9.605 8.405 13.632 1.00 24.13 H new ATOM 0 HA ASP A 100 12.394 9.056 13.411 1.00 2.14 H new ATOM 0 HB2 ASP A 100 10.601 9.094 10.995 1.00 61.44 H new ATOM 0 HB3 ASP A 100 11.738 10.411 11.202 1.00 61.44 H new ATOM 1523 N TYR A 101 11.631 11.632 13.376 1.00 33.11 N ATOM 1524 CA TYR A 101 11.235 12.940 13.885 1.00 21.54 C ATOM 1525 C TYR A 101 11.154 13.962 12.756 1.00 1.32 C ATOM 1526 O TYR A 101 12.175 14.392 12.217 1.00 31.11 O ATOM 1527 CB TYR A 101 12.224 13.416 14.950 1.00 4.12 C ATOM 1528 CG TYR A 101 11.790 14.679 15.659 1.00 52.24 C ATOM 1529 CD1 TYR A 101 10.567 14.745 16.315 1.00 31.02 C ATOM 1530 CD2 TYR A 101 12.601 15.807 15.671 1.00 61.04 C ATOM 1531 CE1 TYR A 101 10.165 15.897 16.963 1.00 2.02 C ATOM 1532 CE2 TYR A 101 12.208 16.963 16.317 1.00 22.33 C ATOM 1533 CZ TYR A 101 10.989 17.003 16.962 1.00 64.11 C ATOM 1534 OH TYR A 101 10.594 18.153 17.606 1.00 72.20 O ATOM 0 H TYR A 101 12.519 11.626 12.875 1.00 33.11 H new ATOM 0 HA TYR A 101 10.246 12.843 14.334 1.00 21.54 H new ATOM 0 HB2 TYR A 101 12.360 12.624 15.687 1.00 4.12 H new ATOM 0 HB3 TYR A 101 13.194 13.587 14.483 1.00 4.12 H new ATOM 0 HD1 TYR A 101 9.919 13.881 16.318 1.00 31.02 H new ATOM 0 HD2 TYR A 101 13.555 15.780 15.166 1.00 61.04 H new ATOM 0 HE1 TYR A 101 9.211 15.931 17.468 1.00 2.02 H new ATOM 0 HE2 TYR A 101 12.851 17.831 16.317 1.00 22.33 H new ATOM 0 HH TYR A 101 10.540 18.888 16.960 1.00 72.20 H new ATOM 1544 N LEU A 102 9.933 14.349 12.404 1.00 60.34 N ATOM 1545 CA LEU A 102 9.716 15.322 11.339 1.00 42.02 C ATOM 1546 C LEU A 102 9.176 16.633 11.901 1.00 21.01 C ATOM 1547 O LEU A 102 7.980 16.918 11.838 1.00 40.10 O ATOM 1548 CB LEU A 102 8.745 14.761 10.299 1.00 51.45 C ATOM 1549 CG LEU A 102 8.700 15.495 8.958 1.00 44.13 C ATOM 1550 CD1 LEU A 102 10.020 15.337 8.218 1.00 30.45 C ATOM 1551 CD2 LEU A 102 7.546 14.984 8.108 1.00 62.20 C ATOM 0 H LEU A 102 9.078 14.004 12.840 1.00 60.34 H new ATOM 0 HA LEU A 102 10.675 15.521 10.861 1.00 42.02 H new ATOM 0 HB2 LEU A 102 9.006 13.719 10.112 1.00 51.45 H new ATOM 0 HB3 LEU A 102 7.743 14.766 10.727 1.00 51.45 H new ATOM 0 HG LEU A 102 8.540 16.556 9.152 1.00 44.13 H new ATOM 0 HD11 LEU A 102 9.969 15.866 7.266 1.00 30.45 H new ATOM 0 HD12 LEU A 102 10.827 15.752 8.821 1.00 30.45 H new ATOM 0 HD13 LEU A 102 10.211 14.279 8.036 1.00 30.45 H new ATOM 0 HD21 LEU A 102 7.530 15.518 7.158 1.00 62.20 H new ATOM 0 HD22 LEU A 102 7.675 13.918 7.923 1.00 62.20 H new ATOM 0 HD23 LEU A 102 6.606 15.150 8.634 1.00 62.20 H new ATOM 1563 N PRO A 103 10.077 17.452 12.463 1.00 4.10 N ATOM 1564 CA PRO A 103 9.715 18.748 13.045 1.00 61.12 C ATOM 1565 C PRO A 103 9.306 19.765 11.985 1.00 0.21 C ATOM 1566 O PRO A 103 9.794 19.731 10.855 1.00 32.32 O ATOM 1567 CB PRO A 103 11.001 19.194 13.746 1.00 34.21 C ATOM 1568 CG PRO A 103 12.094 18.495 13.014 1.00 75.13 C ATOM 1569 CD PRO A 103 11.520 17.177 12.573 1.00 33.42 C ATOM 0 HA PRO A 103 8.856 18.670 13.711 1.00 61.12 H new ATOM 0 HB2 PRO A 103 11.122 20.276 13.699 1.00 34.21 H new ATOM 0 HB3 PRO A 103 10.992 18.919 14.801 1.00 34.21 H new ATOM 0 HG2 PRO A 103 12.428 19.081 12.158 1.00 75.13 H new ATOM 0 HG3 PRO A 103 12.962 18.347 13.657 1.00 75.13 H new ATOM 0 HD2 PRO A 103 11.941 16.854 11.621 1.00 33.42 H new ATOM 0 HD3 PRO A 103 11.725 16.388 13.296 1.00 33.42 H new ATOM 1577 N LYS A 104 8.408 20.671 12.357 1.00 73.04 N ATOM 1578 CA LYS A 104 7.934 21.700 11.439 1.00 14.21 C ATOM 1579 C LYS A 104 8.631 23.030 11.706 1.00 44.14 C ATOM 1580 O LYS A 104 9.107 23.299 12.809 1.00 64.32 O ATOM 1581 CB LYS A 104 6.419 21.872 11.571 1.00 34.42 C ATOM 1582 CG LYS A 104 5.947 22.024 13.007 1.00 74.51 C ATOM 1583 CD LYS A 104 5.119 23.284 13.191 1.00 12.33 C ATOM 1584 CE LYS A 104 3.841 23.004 13.967 1.00 21.44 C ATOM 1585 NZ LYS A 104 3.068 24.248 14.231 1.00 13.54 N ATOM 0 H LYS A 104 7.994 20.714 13.288 1.00 73.04 H new ATOM 0 HA LYS A 104 8.171 21.382 10.424 1.00 14.21 H new ATOM 0 HB2 LYS A 104 6.110 22.748 11.001 1.00 34.42 H new ATOM 0 HB3 LYS A 104 5.924 21.010 11.124 1.00 34.42 H new ATOM 0 HG2 LYS A 104 5.355 21.154 13.290 1.00 74.51 H new ATOM 0 HG3 LYS A 104 6.809 22.054 13.673 1.00 74.51 H new ATOM 0 HD2 LYS A 104 5.709 24.034 13.718 1.00 12.33 H new ATOM 0 HD3 LYS A 104 4.869 23.702 12.216 1.00 12.33 H new ATOM 0 HE2 LYS A 104 3.222 22.304 13.406 1.00 21.44 H new ATOM 0 HE3 LYS A 104 4.089 22.523 14.913 1.00 21.44 H new ATOM 0 HZ1 LYS A 104 2.205 24.014 14.762 1.00 13.54 H new ATOM 0 HZ2 LYS A 104 3.649 24.906 14.788 1.00 13.54 H new ATOM 0 HZ3 LYS A 104 2.809 24.694 13.328 1.00 13.54 H new ATOM 1599 N PRO A 105 8.694 23.884 10.673 1.00 13.01 N ATOM 1600 CA PRO A 105 8.131 23.575 9.355 1.00 22.11 C ATOM 1601 C PRO A 105 8.917 22.488 8.630 1.00 31.31 C ATOM 1602 O PRO A 105 10.148 22.486 8.640 1.00 21.01 O ATOM 1603 CB PRO A 105 8.239 24.904 8.603 1.00 35.12 C ATOM 1604 CG PRO A 105 9.361 25.625 9.266 1.00 63.41 C ATOM 1605 CD PRO A 105 9.318 25.217 10.713 1.00 65.13 C ATOM 0 HA PRO A 105 7.113 23.191 9.426 1.00 22.11 H new ATOM 0 HB2 PRO A 105 8.442 24.744 7.544 1.00 35.12 H new ATOM 0 HB3 PRO A 105 7.311 25.472 8.667 1.00 35.12 H new ATOM 0 HG2 PRO A 105 10.317 25.360 8.814 1.00 63.41 H new ATOM 0 HG3 PRO A 105 9.248 26.704 9.161 1.00 63.41 H new ATOM 0 HD2 PRO A 105 10.316 25.181 11.150 1.00 65.13 H new ATOM 0 HD3 PRO A 105 8.734 25.917 11.311 1.00 65.13 H new ATOM 1613 N PHE A 106 8.198 21.564 8.001 1.00 53.10 N ATOM 1614 CA PHE A 106 8.828 20.471 7.271 1.00 62.52 C ATOM 1615 C PHE A 106 8.400 20.477 5.806 1.00 25.21 C ATOM 1616 O PHE A 106 7.345 21.006 5.459 1.00 54.12 O ATOM 1617 CB PHE A 106 8.471 19.128 7.912 1.00 1.13 C ATOM 1618 CG PHE A 106 7.071 18.674 7.613 1.00 40.20 C ATOM 1619 CD1 PHE A 106 6.802 17.911 6.488 1.00 14.31 C ATOM 1620 CD2 PHE A 106 6.024 19.010 8.457 1.00 65.23 C ATOM 1621 CE1 PHE A 106 5.514 17.493 6.210 1.00 10.11 C ATOM 1622 CE2 PHE A 106 4.735 18.594 8.184 1.00 52.10 C ATOM 1623 CZ PHE A 106 4.480 17.834 7.060 1.00 75.24 C ATOM 0 H PHE A 106 7.178 21.551 7.982 1.00 53.10 H new ATOM 0 HA PHE A 106 9.908 20.612 7.317 1.00 62.52 H new ATOM 0 HB2 PHE A 106 9.172 18.370 7.563 1.00 1.13 H new ATOM 0 HB3 PHE A 106 8.596 19.205 8.992 1.00 1.13 H new ATOM 0 HD1 PHE A 106 7.607 17.640 5.821 1.00 14.31 H new ATOM 0 HD2 PHE A 106 6.218 19.604 9.338 1.00 65.23 H new ATOM 0 HE1 PHE A 106 5.316 16.900 5.329 1.00 10.11 H new ATOM 0 HE2 PHE A 106 3.928 18.863 8.849 1.00 52.10 H new ATOM 0 HZ PHE A 106 3.473 17.507 6.846 1.00 75.24 H new ATOM 1633 N ASP A 107 9.228 19.885 4.952 1.00 44.41 N ATOM 1634 CA ASP A 107 8.937 19.822 3.524 1.00 31.34 C ATOM 1635 C ASP A 107 8.134 18.568 3.189 1.00 3.51 C ATOM 1636 O ASP A 107 8.642 17.451 3.283 1.00 65.33 O ATOM 1637 CB ASP A 107 10.235 19.843 2.716 1.00 70.42 C ATOM 1638 CG ASP A 107 10.670 21.249 2.356 1.00 43.51 C ATOM 1639 OD1 ASP A 107 9.814 22.037 1.903 1.00 10.53 O ATOM 1640 OD2 ASP A 107 11.867 21.562 2.526 1.00 45.31 O ATOM 0 H ASP A 107 10.106 19.442 5.224 1.00 44.41 H new ATOM 0 HA ASP A 107 8.341 20.695 3.260 1.00 31.34 H new ATOM 0 HB2 ASP A 107 11.024 19.357 3.290 1.00 70.42 H new ATOM 0 HB3 ASP A 107 10.101 19.262 1.803 1.00 70.42 H new ATOM 1645 N ILE A 108 6.879 18.763 2.800 1.00 71.24 N ATOM 1646 CA ILE A 108 6.007 17.648 2.451 1.00 53.34 C ATOM 1647 C ILE A 108 6.675 16.723 1.439 1.00 54.42 C ATOM 1648 O ILE A 108 6.363 15.534 1.369 1.00 2.31 O ATOM 1649 CB ILE A 108 4.667 18.141 1.872 1.00 1.45 C ATOM 1650 CG1 ILE A 108 4.875 18.726 0.474 1.00 53.40 C ATOM 1651 CG2 ILE A 108 4.039 19.174 2.797 1.00 45.13 C ATOM 1652 CD1 ILE A 108 5.656 20.022 0.471 1.00 60.43 C ATOM 0 H ILE A 108 6.443 19.682 2.718 1.00 71.24 H new ATOM 0 HA ILE A 108 5.815 17.097 3.372 1.00 53.34 H new ATOM 0 HB ILE A 108 3.988 17.292 1.792 1.00 1.45 H new ATOM 0 HG12 ILE A 108 5.398 17.995 -0.143 1.00 53.40 H new ATOM 0 HG13 ILE A 108 3.903 18.896 0.012 1.00 53.40 H new ATOM 0 HG21 ILE A 108 3.093 19.513 2.375 1.00 45.13 H new ATOM 0 HG22 ILE A 108 3.860 18.726 3.775 1.00 45.13 H new ATOM 0 HG23 ILE A 108 4.713 20.024 2.905 1.00 45.13 H new ATOM 0 HD11 ILE A 108 5.765 20.379 -0.553 1.00 60.43 H new ATOM 0 HD12 ILE A 108 5.124 20.769 1.061 1.00 60.43 H new ATOM 0 HD13 ILE A 108 6.642 19.853 0.903 1.00 60.43 H new ATOM 1664 N ASP A 109 7.595 17.277 0.657 1.00 23.04 N ATOM 1665 CA ASP A 109 8.310 16.501 -0.349 1.00 44.44 C ATOM 1666 C ASP A 109 9.020 15.309 0.285 1.00 15.25 C ATOM 1667 O ASP A 109 9.078 14.227 -0.298 1.00 13.40 O ATOM 1668 CB ASP A 109 9.324 17.384 -1.079 1.00 41.20 C ATOM 1669 CG ASP A 109 8.671 18.292 -2.102 1.00 75.24 C ATOM 1670 OD1 ASP A 109 7.789 19.087 -1.714 1.00 5.32 O ATOM 1671 OD2 ASP A 109 9.041 18.207 -3.292 1.00 13.41 O ATOM 0 H ASP A 109 7.863 18.260 0.700 1.00 23.04 H new ATOM 0 HA ASP A 109 7.581 16.126 -1.067 1.00 44.44 H new ATOM 0 HB2 ASP A 109 9.863 17.990 -0.351 1.00 41.20 H new ATOM 0 HB3 ASP A 109 10.060 16.752 -1.576 1.00 41.20 H new ATOM 1676 N GLU A 110 9.558 15.516 1.483 1.00 13.33 N ATOM 1677 CA GLU A 110 10.265 14.458 2.196 1.00 54.43 C ATOM 1678 C GLU A 110 9.295 13.614 3.017 1.00 31.31 C ATOM 1679 O GLU A 110 9.564 12.449 3.310 1.00 2.21 O ATOM 1680 CB GLU A 110 11.337 15.056 3.109 1.00 50.42 C ATOM 1681 CG GLU A 110 12.330 14.033 3.633 1.00 70.31 C ATOM 1682 CD GLU A 110 12.348 13.960 5.147 1.00 23.14 C ATOM 1683 OE1 GLU A 110 11.484 13.261 5.718 1.00 50.54 O ATOM 1684 OE2 GLU A 110 13.226 14.601 5.762 1.00 32.02 O ATOM 0 H GLU A 110 9.518 16.406 1.980 1.00 13.33 H new ATOM 0 HA GLU A 110 10.744 13.815 1.458 1.00 54.43 H new ATOM 0 HB2 GLU A 110 11.878 15.828 2.562 1.00 50.42 H new ATOM 0 HB3 GLU A 110 10.851 15.544 3.954 1.00 50.42 H new ATOM 0 HG2 GLU A 110 12.082 13.052 3.229 1.00 70.31 H new ATOM 0 HG3 GLU A 110 13.328 14.283 3.273 1.00 70.31 H new ATOM 1691 N ALA A 111 8.166 14.210 3.386 1.00 71.02 N ATOM 1692 CA ALA A 111 7.155 13.513 4.172 1.00 43.22 C ATOM 1693 C ALA A 111 6.392 12.507 3.317 1.00 40.32 C ATOM 1694 O ALA A 111 6.099 11.397 3.760 1.00 73.21 O ATOM 1695 CB ALA A 111 6.194 14.512 4.800 1.00 23.40 C ATOM 0 H ALA A 111 7.928 15.174 3.153 1.00 71.02 H new ATOM 0 HA ALA A 111 7.662 12.964 4.966 1.00 43.22 H new ATOM 0 HB1 ALA A 111 5.444 13.978 5.384 1.00 23.40 H new ATOM 0 HB2 ALA A 111 6.747 15.189 5.451 1.00 23.40 H new ATOM 0 HB3 ALA A 111 5.701 15.086 4.015 1.00 23.40 H new ATOM 1701 N VAL A 112 6.072 12.904 2.089 1.00 61.51 N ATOM 1702 CA VAL A 112 5.343 12.036 1.171 1.00 12.24 C ATOM 1703 C VAL A 112 6.007 10.668 1.064 1.00 34.00 C ATOM 1704 O VAL A 112 5.330 9.644 0.976 1.00 70.13 O ATOM 1705 CB VAL A 112 5.247 12.660 -0.234 1.00 31.23 C ATOM 1706 CG1 VAL A 112 4.595 11.688 -1.206 1.00 2.32 C ATOM 1707 CG2 VAL A 112 4.478 13.972 -0.183 1.00 25.35 C ATOM 0 H VAL A 112 6.306 13.820 1.707 1.00 61.51 H new ATOM 0 HA VAL A 112 4.338 11.918 1.577 1.00 12.24 H new ATOM 0 HB VAL A 112 6.256 12.870 -0.589 1.00 31.23 H new ATOM 0 HG11 VAL A 112 4.536 12.146 -2.193 1.00 2.32 H new ATOM 0 HG12 VAL A 112 5.190 10.777 -1.264 1.00 2.32 H new ATOM 0 HG13 VAL A 112 3.591 11.444 -0.858 1.00 2.32 H new ATOM 0 HG21 VAL A 112 4.420 14.399 -1.184 1.00 25.35 H new ATOM 0 HG22 VAL A 112 3.471 13.789 0.193 1.00 25.35 H new ATOM 0 HG23 VAL A 112 4.991 14.669 0.479 1.00 25.35 H new ATOM 1717 N ALA A 113 7.335 10.659 1.073 1.00 65.22 N ATOM 1718 CA ALA A 113 8.091 9.416 0.979 1.00 4.00 C ATOM 1719 C ALA A 113 8.242 8.760 2.347 1.00 13.35 C ATOM 1720 O ALA A 113 8.368 7.539 2.452 1.00 51.41 O ATOM 1721 CB ALA A 113 9.458 9.675 0.363 1.00 62.13 C ATOM 0 H ALA A 113 7.910 11.498 1.144 1.00 65.22 H new ATOM 0 HA ALA A 113 7.538 8.732 0.336 1.00 4.00 H new ATOM 0 HB1 ALA A 113 10.012 8.738 0.299 1.00 62.13 H new ATOM 0 HB2 ALA A 113 9.334 10.092 -0.636 1.00 62.13 H new ATOM 0 HB3 ALA A 113 10.009 10.380 0.985 1.00 62.13 H new ATOM 1727 N LEU A 114 8.228 9.578 3.395 1.00 63.44 N ATOM 1728 CA LEU A 114 8.364 9.077 4.758 1.00 72.30 C ATOM 1729 C LEU A 114 7.069 8.422 5.229 1.00 62.33 C ATOM 1730 O LEU A 114 7.076 7.590 6.136 1.00 63.40 O ATOM 1731 CB LEU A 114 8.746 10.215 5.705 1.00 3.50 C ATOM 1732 CG LEU A 114 8.575 9.933 7.198 1.00 24.20 C ATOM 1733 CD1 LEU A 114 9.658 8.985 7.689 1.00 24.12 C ATOM 1734 CD2 LEU A 114 8.599 11.230 7.993 1.00 43.44 C ATOM 0 H LEU A 114 8.124 10.590 3.326 1.00 63.44 H new ATOM 0 HA LEU A 114 9.154 8.326 4.765 1.00 72.30 H new ATOM 0 HB2 LEU A 114 9.788 10.478 5.523 1.00 3.50 H new ATOM 0 HB3 LEU A 114 8.147 11.089 5.450 1.00 3.50 H new ATOM 0 HG LEU A 114 7.607 9.456 7.349 1.00 24.20 H new ATOM 0 HD11 LEU A 114 9.521 8.796 8.754 1.00 24.12 H new ATOM 0 HD12 LEU A 114 9.594 8.044 7.142 1.00 24.12 H new ATOM 0 HD13 LEU A 114 10.637 9.434 7.524 1.00 24.12 H new ATOM 0 HD21 LEU A 114 8.476 11.009 9.053 1.00 43.44 H new ATOM 0 HD22 LEU A 114 9.552 11.736 7.836 1.00 43.44 H new ATOM 0 HD23 LEU A 114 7.786 11.876 7.660 1.00 43.44 H new ATOM 1746 N VAL A 115 5.959 8.801 4.604 1.00 12.32 N ATOM 1747 CA VAL A 115 4.656 8.249 4.957 1.00 65.44 C ATOM 1748 C VAL A 115 4.612 6.745 4.707 1.00 12.31 C ATOM 1749 O VAL A 115 4.124 5.983 5.541 1.00 64.44 O ATOM 1750 CB VAL A 115 3.526 8.924 4.159 1.00 55.24 C ATOM 1751 CG1 VAL A 115 2.191 8.257 4.454 1.00 70.20 C ATOM 1752 CG2 VAL A 115 3.468 10.412 4.472 1.00 30.30 C ATOM 0 H VAL A 115 5.936 9.488 3.851 1.00 12.32 H new ATOM 0 HA VAL A 115 4.506 8.443 6.019 1.00 65.44 H new ATOM 0 HB VAL A 115 3.736 8.807 3.096 1.00 55.24 H new ATOM 0 HG11 VAL A 115 1.404 8.748 3.881 1.00 70.20 H new ATOM 0 HG12 VAL A 115 2.241 7.205 4.175 1.00 70.20 H new ATOM 0 HG13 VAL A 115 1.970 8.340 5.518 1.00 70.20 H new ATOM 0 HG21 VAL A 115 2.664 10.873 3.899 1.00 30.30 H new ATOM 0 HG22 VAL A 115 3.282 10.553 5.537 1.00 30.30 H new ATOM 0 HG23 VAL A 115 4.417 10.877 4.205 1.00 30.30 H new ATOM 1762 N GLU A 116 5.124 6.327 3.554 1.00 23.31 N ATOM 1763 CA GLU A 116 5.142 4.914 3.195 1.00 21.51 C ATOM 1764 C GLU A 116 6.345 4.209 3.817 1.00 15.32 C ATOM 1765 O GLU A 116 6.359 2.986 3.954 1.00 75.14 O ATOM 1766 CB GLU A 116 5.173 4.751 1.674 1.00 40.31 C ATOM 1767 CG GLU A 116 4.207 5.670 0.944 1.00 21.51 C ATOM 1768 CD GLU A 116 3.475 4.968 -0.183 1.00 54.32 C ATOM 1769 OE1 GLU A 116 4.141 4.552 -1.154 1.00 53.45 O ATOM 1770 OE2 GLU A 116 2.236 4.836 -0.095 1.00 22.42 O ATOM 0 H GLU A 116 5.531 6.946 2.853 1.00 23.31 H new ATOM 0 HA GLU A 116 4.233 4.456 3.584 1.00 21.51 H new ATOM 0 HB2 GLU A 116 6.185 4.943 1.317 1.00 40.31 H new ATOM 0 HB3 GLU A 116 4.938 3.717 1.423 1.00 40.31 H new ATOM 0 HG2 GLU A 116 3.480 6.065 1.654 1.00 21.51 H new ATOM 0 HG3 GLU A 116 4.755 6.522 0.541 1.00 21.51 H new ATOM 1777 N ARG A 117 7.352 4.991 4.192 1.00 71.00 N ATOM 1778 CA ARG A 117 8.560 4.443 4.798 1.00 54.13 C ATOM 1779 C ARG A 117 8.211 3.458 5.910 1.00 42.03 C ATOM 1780 O ARG A 117 8.774 2.366 5.984 1.00 2.31 O ATOM 1781 CB ARG A 117 9.433 5.569 5.354 1.00 15.34 C ATOM 1782 CG ARG A 117 10.718 5.786 4.573 1.00 3.14 C ATOM 1783 CD ARG A 117 11.930 5.813 5.492 1.00 41.23 C ATOM 1784 NE ARG A 117 12.396 4.469 5.823 1.00 41.33 N ATOM 1785 CZ ARG A 117 13.606 4.209 6.307 1.00 54.35 C ATOM 1786 NH1 ARG A 117 14.466 5.196 6.515 1.00 1.20 N ATOM 1787 NH2 ARG A 117 13.956 2.960 6.583 1.00 23.23 N ATOM 0 H ARG A 117 7.356 6.006 4.087 1.00 71.00 H new ATOM 0 HA ARG A 117 9.115 3.911 4.026 1.00 54.13 H new ATOM 0 HB2 ARG A 117 8.858 6.495 5.356 1.00 15.34 H new ATOM 0 HB3 ARG A 117 9.682 5.346 6.391 1.00 15.34 H new ATOM 0 HG2 ARG A 117 10.836 4.991 3.836 1.00 3.14 H new ATOM 0 HG3 ARG A 117 10.656 6.725 4.022 1.00 3.14 H new ATOM 0 HD2 ARG A 117 12.736 6.368 5.013 1.00 41.23 H new ATOM 0 HD3 ARG A 117 11.678 6.345 6.409 1.00 41.23 H new ATOM 0 HE ARG A 117 11.758 3.687 5.675 1.00 41.33 H new ATOM 0 HH11 ARG A 117 14.200 6.158 6.304 1.00 1.20 H new ATOM 0 HH12 ARG A 117 15.394 4.994 6.887 1.00 1.20 H new ATOM 0 HH21 ARG A 117 13.296 2.198 6.424 1.00 23.23 H new ATOM 0 HH22 ARG A 117 14.885 2.761 6.954 1.00 23.23 H new ATOM 1801 N ALA A 118 7.280 3.852 6.772 1.00 0.21 N ATOM 1802 CA ALA A 118 6.856 3.004 7.879 1.00 73.11 C ATOM 1803 C ALA A 118 5.779 2.020 7.435 1.00 73.11 C ATOM 1804 O ALA A 118 5.827 0.837 7.775 1.00 42.42 O ATOM 1805 CB ALA A 118 6.351 3.856 9.034 1.00 51.33 C ATOM 0 H ALA A 118 6.805 4.753 6.725 1.00 0.21 H new ATOM 0 HA ALA A 118 7.719 2.430 8.216 1.00 73.11 H new ATOM 0 HB1 ALA A 118 6.038 3.209 9.853 1.00 51.33 H new ATOM 0 HB2 ALA A 118 7.149 4.515 9.376 1.00 51.33 H new ATOM 0 HB3 ALA A 118 5.504 4.455 8.701 1.00 51.33 H new ATOM 1811 N ILE A 119 4.808 2.516 6.675 1.00 60.30 N ATOM 1812 CA ILE A 119 3.720 1.679 6.185 1.00 54.23 C ATOM 1813 C ILE A 119 4.255 0.451 5.457 1.00 43.14 C ATOM 1814 O ILE A 119 3.600 -0.590 5.409 1.00 50.22 O ATOM 1815 CB ILE A 119 2.792 2.461 5.236 1.00 44.05 C ATOM 1816 CG1 ILE A 119 2.222 3.692 5.944 1.00 62.25 C ATOM 1817 CG2 ILE A 119 1.670 1.564 4.734 1.00 42.50 C ATOM 1818 CD1 ILE A 119 1.585 4.690 5.002 1.00 65.32 C ATOM 0 H ILE A 119 4.753 3.493 6.386 1.00 60.30 H new ATOM 0 HA ILE A 119 3.150 1.361 7.058 1.00 54.23 H new ATOM 0 HB ILE A 119 3.374 2.796 4.377 1.00 44.05 H new ATOM 0 HG12 ILE A 119 1.480 3.370 6.675 1.00 62.25 H new ATOM 0 HG13 ILE A 119 3.021 4.186 6.497 1.00 62.25 H new ATOM 0 HG21 ILE A 119 1.023 2.131 4.065 1.00 42.50 H new ATOM 0 HG22 ILE A 119 2.095 0.716 4.196 1.00 42.50 H new ATOM 0 HG23 ILE A 119 1.088 1.201 5.581 1.00 42.50 H new ATOM 0 HD11 ILE A 119 1.203 5.536 5.573 1.00 65.32 H new ATOM 0 HD12 ILE A 119 2.329 5.041 4.287 1.00 65.32 H new ATOM 0 HD13 ILE A 119 0.764 4.213 4.467 1.00 65.32 H new ATOM 1830 N SER A 120 5.452 0.580 4.892 1.00 32.41 N ATOM 1831 CA SER A 120 6.076 -0.519 4.164 1.00 34.33 C ATOM 1832 C SER A 120 6.095 -1.789 5.010 1.00 73.23 C ATOM 1833 O SER A 120 5.652 -2.850 4.568 1.00 43.04 O ATOM 1834 CB SER A 120 7.501 -0.144 3.755 1.00 2.23 C ATOM 1835 OG SER A 120 7.881 -0.807 2.562 1.00 31.20 O ATOM 0 H SER A 120 6.008 1.434 4.925 1.00 32.41 H new ATOM 0 HA SER A 120 5.487 -0.709 3.267 1.00 34.33 H new ATOM 0 HB2 SER A 120 7.570 0.935 3.613 1.00 2.23 H new ATOM 0 HB3 SER A 120 8.193 -0.405 4.556 1.00 2.23 H new ATOM 0 HG SER A 120 8.795 -0.549 2.321 1.00 31.20 H new ATOM 1841 N HIS A 121 6.611 -1.673 6.229 1.00 32.02 N ATOM 1842 CA HIS A 121 6.688 -2.811 7.138 1.00 32.04 C ATOM 1843 C HIS A 121 5.312 -3.437 7.343 1.00 74.33 C ATOM 1844 O HIS A 121 5.198 -4.623 7.656 1.00 4.40 O ATOM 1845 CB HIS A 121 7.268 -2.377 8.485 1.00 44.15 C ATOM 1846 CG HIS A 121 7.631 -3.523 9.378 1.00 41.10 C ATOM 1847 ND1 HIS A 121 8.483 -4.536 8.994 1.00 63.54 N ATOM 1848 CD2 HIS A 121 7.253 -3.812 10.645 1.00 0.42 C ATOM 1849 CE1 HIS A 121 8.612 -5.400 9.985 1.00 5.10 C ATOM 1850 NE2 HIS A 121 7.876 -4.983 10.999 1.00 3.13 N ATOM 0 H HIS A 121 6.982 -0.803 6.610 1.00 32.02 H new ATOM 0 HA HIS A 121 7.345 -3.557 6.691 1.00 32.04 H new ATOM 0 HB2 HIS A 121 8.155 -1.768 8.310 1.00 44.15 H new ATOM 0 HB3 HIS A 121 6.543 -1.744 8.997 1.00 44.15 H new ATOM 0 HD2 HIS A 121 6.585 -3.230 11.263 1.00 0.42 H new ATOM 0 HE1 HIS A 121 9.216 -6.295 9.969 1.00 5.10 H new ATOM 0 HE2 HIS A 121 7.785 -5.454 11.899 1.00 3.13 H new