USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= 1.77 K(o=3.6,f=-1.3) USER MOD Set 1.2: A 57 ASN : amide:sc= 1.87 K(o=3.6,f=-1.3) USER MOD Set 2.1: A 52 TYR OH : rot -138:sc= 1.08 USER MOD Set 2.2: A 72 ASN : amide:sc= 0.236 X(o=1.3,f=1.5) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -166:sc= 1.09 (180deg=0.857) USER MOD Set 3.2: A 50 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc=-0.00121 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.04 K(o=-1,f=-0.0057) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.52 USER MOD Single : A 15 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.6) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.665) USER MOD Single : A 27 HIS : no HD1:sc= -4.4! K(o=-4.4!,f=-0.69) USER MOD Single : A 28 TYR OH : rot 75:sc= -0.76 USER MOD Single : A 30 SER OG : rot 75:sc= 1.1 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0.837 (180deg=0.804) USER MOD Single : A 34 HIS : no HD1:sc= -0.409 X(o=-0.41,f=0.021) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc=0.000558 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.1!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 139:sc= 1.22 (180deg=0.912) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= -0.0595 (180deg=-0.428) USER MOD Single : A 59 TYR OH : rot 90:sc= -0.952 USER MOD Single : A 62 THR OG1 : rot -74:sc= 0.747 USER MOD Single : A 63 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.0081) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0962 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -170:sc= 0.0149 USER MOD Single : A 70 LYS NZ :NH3+ -118:sc= 0.312 (180deg=-1.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.75) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 120:sc=-0.000115 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.627 K(o=-0.63,f=-4.9!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.0115 (180deg=-0.209) USER MOD Single : A 99 HIS : no HD1:sc= 0.834 K(o=0.83,f=-4.9!) USER MOD Single : A 101 SER OG : rot -36:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 3.524 7.440 12.400 1.00 11.41 N ATOM 21 CA ILE A 2 4.043 6.091 12.278 1.00 1.21 C ATOM 22 C ILE A 2 4.610 5.879 10.874 1.00 63.43 C ATOM 23 O ILE A 2 4.285 6.631 9.950 1.00 53.34 O ATOM 24 CB ILE A 2 2.926 5.060 12.572 1.00 14.22 C ATOM 25 CG1 ILE A 2 3.475 3.630 12.599 1.00 22.34 C ATOM 26 CG2 ILE A 2 1.806 5.184 11.549 1.00 62.40 C ATOM 27 CD1 ILE A 2 2.435 2.588 12.946 1.00 11.04 C ATOM 0 HA ILE A 2 4.843 5.949 13.005 1.00 1.21 H new ATOM 0 HB ILE A 2 2.523 5.278 13.561 1.00 14.22 H new ATOM 0 HG12 ILE A 2 3.901 3.395 11.624 1.00 22.34 H new ATOM 0 HG13 ILE A 2 4.288 3.575 13.323 1.00 22.34 H new ATOM 0 HG21 ILE A 2 1.029 4.452 11.770 1.00 62.40 H new ATOM 0 HG22 ILE A 2 1.383 6.187 11.593 1.00 62.40 H new ATOM 0 HG23 ILE A 2 2.203 5.001 10.551 1.00 62.40 H new ATOM 0 HD11 ILE A 2 2.896 1.600 12.946 1.00 11.04 H new ATOM 0 HD12 ILE A 2 2.026 2.798 13.934 1.00 11.04 H new ATOM 0 HD13 ILE A 2 1.633 2.614 12.208 1.00 11.04 H new ATOM 39 N THR A 3 5.478 4.891 10.722 1.00 22.05 N ATOM 40 CA THR A 3 6.035 4.571 9.422 1.00 43.35 C ATOM 41 C THR A 3 4.963 3.948 8.539 1.00 72.54 C ATOM 42 O THR A 3 4.080 3.244 9.032 1.00 41.45 O ATOM 43 CB THR A 3 7.226 3.600 9.547 1.00 74.54 C ATOM 44 OG1 THR A 3 6.788 2.351 10.093 1.00 73.41 O ATOM 45 CG2 THR A 3 8.308 4.188 10.436 1.00 33.05 C ATOM 0 H THR A 3 5.810 4.299 11.483 1.00 22.05 H new ATOM 0 HA THR A 3 6.392 5.497 8.972 1.00 43.35 H new ATOM 0 HB THR A 3 7.638 3.437 8.551 1.00 74.54 H new ATOM 0 HG1 THR A 3 7.551 1.741 10.167 1.00 73.41 H new ATOM 0 HG21 THR A 3 9.139 3.486 10.510 1.00 33.05 H new ATOM 0 HG22 THR A 3 8.662 5.125 10.007 1.00 33.05 H new ATOM 0 HG23 THR A 3 7.901 4.375 11.430 1.00 33.05 H new ATOM 53 N PHE A 4 5.030 4.208 7.241 1.00 3.43 N ATOM 54 CA PHE A 4 4.024 3.703 6.316 1.00 45.25 C ATOM 55 C PHE A 4 4.026 2.174 6.276 1.00 51.52 C ATOM 56 O PHE A 4 2.968 1.549 6.231 1.00 45.24 O ATOM 57 CB PHE A 4 4.245 4.273 4.911 1.00 33.32 C ATOM 58 CG PHE A 4 3.267 3.751 3.895 1.00 71.14 C ATOM 59 CD1 PHE A 4 1.906 3.742 4.164 1.00 11.25 C ATOM 60 CD2 PHE A 4 3.710 3.253 2.683 1.00 33.32 C ATOM 61 CE1 PHE A 4 1.007 3.249 3.240 1.00 71.43 C ATOM 62 CE2 PHE A 4 2.815 2.757 1.756 1.00 73.54 C ATOM 63 CZ PHE A 4 1.463 2.756 2.036 1.00 65.51 C ATOM 0 H PHE A 4 5.767 4.763 6.806 1.00 3.43 H new ATOM 0 HA PHE A 4 3.049 4.031 6.676 1.00 45.25 H new ATOM 0 HB2 PHE A 4 4.170 5.360 4.952 1.00 33.32 H new ATOM 0 HB3 PHE A 4 5.258 4.035 4.585 1.00 33.32 H new ATOM 0 HD1 PHE A 4 1.546 4.125 5.107 1.00 11.25 H new ATOM 0 HD2 PHE A 4 4.767 3.252 2.460 1.00 33.32 H new ATOM 0 HE1 PHE A 4 -0.050 3.249 3.460 1.00 71.43 H new ATOM 0 HE2 PHE A 4 3.172 2.370 0.813 1.00 73.54 H new ATOM 0 HZ PHE A 4 0.762 2.369 1.311 1.00 65.51 H new ATOM 73 N ALA A 5 5.213 1.580 6.312 1.00 23.10 N ATOM 74 CA ALA A 5 5.348 0.127 6.258 1.00 51.35 C ATOM 75 C ALA A 5 4.639 -0.540 7.435 1.00 41.14 C ATOM 76 O ALA A 5 3.836 -1.459 7.251 1.00 65.34 O ATOM 77 CB ALA A 5 6.819 -0.260 6.231 1.00 35.23 C ATOM 0 H ALA A 5 6.098 2.082 6.378 1.00 23.10 H new ATOM 0 HA ALA A 5 4.872 -0.225 5.343 1.00 51.35 H new ATOM 0 HB1 ALA A 5 6.909 -1.346 6.191 1.00 35.23 H new ATOM 0 HB2 ALA A 5 7.294 0.176 5.352 1.00 35.23 H new ATOM 0 HB3 ALA A 5 7.310 0.112 7.131 1.00 35.23 H new ATOM 83 N ASP A 6 4.920 -0.062 8.642 1.00 13.42 N ATOM 84 CA ASP A 6 4.338 -0.645 9.847 1.00 11.13 C ATOM 85 C ASP A 6 2.857 -0.297 9.945 1.00 60.02 C ATOM 86 O ASP A 6 2.045 -1.114 10.380 1.00 63.14 O ATOM 87 CB ASP A 6 5.083 -0.154 11.090 1.00 70.43 C ATOM 88 CG ASP A 6 4.630 -0.846 12.362 1.00 43.02 C ATOM 89 OD1 ASP A 6 4.979 -2.028 12.559 1.00 34.44 O ATOM 90 OD2 ASP A 6 3.946 -0.203 13.182 1.00 41.43 O ATOM 0 H ASP A 6 5.545 0.725 8.813 1.00 13.42 H new ATOM 0 HA ASP A 6 4.436 -1.729 9.789 1.00 11.13 H new ATOM 0 HB2 ASP A 6 6.152 -0.317 10.955 1.00 70.43 H new ATOM 0 HB3 ASP A 6 4.935 0.921 11.195 1.00 70.43 H new ATOM 95 N TYR A 7 2.509 0.914 9.517 1.00 24.12 N ATOM 96 CA TYR A 7 1.120 1.358 9.523 1.00 74.13 C ATOM 97 C TYR A 7 0.281 0.518 8.573 1.00 51.33 C ATOM 98 O TYR A 7 -0.821 0.108 8.920 1.00 11.21 O ATOM 99 CB TYR A 7 1.017 2.833 9.136 1.00 20.31 C ATOM 100 CG TYR A 7 -0.402 3.369 9.133 1.00 2.15 C ATOM 101 CD1 TYR A 7 -1.092 3.572 10.323 1.00 53.43 C ATOM 102 CD2 TYR A 7 -1.051 3.668 7.941 1.00 74.21 C ATOM 103 CE1 TYR A 7 -2.386 4.058 10.325 1.00 63.40 C ATOM 104 CE2 TYR A 7 -2.345 4.156 7.935 1.00 53.33 C ATOM 105 CZ TYR A 7 -3.008 4.349 9.128 1.00 4.30 C ATOM 106 OH TYR A 7 -4.296 4.838 9.128 1.00 51.21 O ATOM 0 H TYR A 7 3.171 1.604 9.162 1.00 24.12 H new ATOM 0 HA TYR A 7 0.737 1.234 10.536 1.00 74.13 H new ATOM 0 HB2 TYR A 7 1.617 3.423 9.829 1.00 20.31 H new ATOM 0 HB3 TYR A 7 1.449 2.970 8.145 1.00 20.31 H new ATOM 0 HD1 TYR A 7 -0.609 3.346 11.262 1.00 53.43 H new ATOM 0 HD2 TYR A 7 -0.536 3.517 7.004 1.00 74.21 H new ATOM 0 HE1 TYR A 7 -2.908 4.209 11.259 1.00 63.40 H new ATOM 0 HE2 TYR A 7 -2.834 4.385 7.000 1.00 53.33 H new ATOM 0 HH TYR A 7 -4.451 5.353 9.948 1.00 51.21 H new ATOM 116 N PHE A 8 0.807 0.261 7.379 1.00 73.12 N ATOM 117 CA PHE A 8 0.087 -0.517 6.378 1.00 74.44 C ATOM 118 C PHE A 8 -0.224 -1.913 6.908 1.00 4.52 C ATOM 119 O PHE A 8 -1.351 -2.395 6.788 1.00 65.31 O ATOM 120 CB PHE A 8 0.898 -0.617 5.082 1.00 15.14 C ATOM 121 CG PHE A 8 0.187 -1.362 3.983 1.00 50.04 C ATOM 122 CD1 PHE A 8 -0.763 -0.727 3.197 1.00 10.51 C ATOM 123 CD2 PHE A 8 0.467 -2.699 3.741 1.00 5.35 C ATOM 124 CE1 PHE A 8 -1.418 -1.412 2.190 1.00 52.34 C ATOM 125 CE2 PHE A 8 -0.188 -3.388 2.737 1.00 62.22 C ATOM 126 CZ PHE A 8 -1.130 -2.743 1.960 1.00 72.34 C ATOM 0 H PHE A 8 1.729 0.580 7.082 1.00 73.12 H new ATOM 0 HA PHE A 8 -0.851 -0.005 6.163 1.00 74.44 H new ATOM 0 HB2 PHE A 8 1.136 0.388 4.734 1.00 15.14 H new ATOM 0 HB3 PHE A 8 1.845 -1.114 5.293 1.00 15.14 H new ATOM 0 HD1 PHE A 8 -0.994 0.313 3.373 1.00 10.51 H new ATOM 0 HD2 PHE A 8 1.205 -3.207 4.344 1.00 5.35 H new ATOM 0 HE1 PHE A 8 -2.155 -0.906 1.583 1.00 52.34 H new ATOM 0 HE2 PHE A 8 0.037 -4.430 2.561 1.00 62.22 H new ATOM 0 HZ PHE A 8 -1.641 -3.279 1.174 1.00 72.34 H new ATOM 136 N TYR A 9 0.775 -2.550 7.507 1.00 4.11 N ATOM 137 CA TYR A 9 0.598 -3.893 8.039 1.00 61.31 C ATOM 138 C TYR A 9 -0.383 -3.876 9.207 1.00 25.41 C ATOM 139 O TYR A 9 -1.290 -4.707 9.276 1.00 21.55 O ATOM 140 CB TYR A 9 1.935 -4.490 8.487 1.00 21.15 C ATOM 141 CG TYR A 9 1.845 -5.966 8.803 1.00 62.02 C ATOM 142 CD1 TYR A 9 1.444 -6.409 10.058 1.00 3.21 C ATOM 143 CD2 TYR A 9 2.145 -6.918 7.837 1.00 42.23 C ATOM 144 CE1 TYR A 9 1.345 -7.756 10.340 1.00 33.51 C ATOM 145 CE2 TYR A 9 2.052 -8.269 8.112 1.00 3.44 C ATOM 146 CZ TYR A 9 1.650 -8.682 9.365 1.00 51.12 C ATOM 147 OH TYR A 9 1.546 -10.026 9.643 1.00 63.53 O ATOM 0 H TYR A 9 1.709 -2.161 7.635 1.00 4.11 H new ATOM 0 HA TYR A 9 0.194 -4.518 7.243 1.00 61.31 H new ATOM 0 HB2 TYR A 9 2.677 -4.336 7.703 1.00 21.15 H new ATOM 0 HB3 TYR A 9 2.288 -3.956 9.369 1.00 21.15 H new ATOM 0 HD1 TYR A 9 1.206 -5.687 10.825 1.00 3.21 H new ATOM 0 HD2 TYR A 9 2.456 -6.597 6.854 1.00 42.23 H new ATOM 0 HE1 TYR A 9 1.030 -8.083 11.320 1.00 33.51 H new ATOM 0 HE2 TYR A 9 2.292 -8.997 7.351 1.00 3.44 H new ATOM 0 HH TYR A 9 1.795 -10.544 8.850 1.00 63.53 H new ATOM 157 N GLN A 10 -0.198 -2.925 10.117 1.00 2.34 N ATOM 158 CA GLN A 10 -1.092 -2.772 11.259 1.00 40.25 C ATOM 159 C GLN A 10 -2.518 -2.512 10.786 1.00 40.10 C ATOM 160 O GLN A 10 -3.465 -3.133 11.272 1.00 55.10 O ATOM 161 CB GLN A 10 -0.622 -1.630 12.162 1.00 54.34 C ATOM 162 CG GLN A 10 -1.550 -1.364 13.336 1.00 22.44 C ATOM 163 CD GLN A 10 -1.067 -0.237 14.225 1.00 70.11 C ATOM 164 OE1 GLN A 10 -1.325 -0.228 15.429 1.00 10.12 O ATOM 165 NE2 GLN A 10 -0.374 0.727 13.641 1.00 23.13 N ATOM 0 H GLN A 10 0.564 -2.248 10.085 1.00 2.34 H new ATOM 0 HA GLN A 10 -1.075 -3.699 11.833 1.00 40.25 H new ATOM 0 HB2 GLN A 10 0.373 -1.863 12.541 1.00 54.34 H new ATOM 0 HB3 GLN A 10 -0.532 -0.721 11.567 1.00 54.34 H new ATOM 0 HG2 GLN A 10 -2.544 -1.123 12.960 1.00 22.44 H new ATOM 0 HG3 GLN A 10 -1.646 -2.273 13.930 1.00 22.44 H new ATOM 0 HE21 GLN A 10 -0.181 0.682 12.640 1.00 23.13 H new ATOM 0 HE22 GLN A 10 -0.032 1.515 14.191 1.00 23.13 H new ATOM 174 N TRP A 11 -2.655 -1.603 9.828 1.00 42.21 N ATOM 175 CA TRP A 11 -3.947 -1.278 9.244 1.00 4.11 C ATOM 176 C TRP A 11 -4.606 -2.530 8.680 1.00 51.02 C ATOM 177 O TRP A 11 -5.742 -2.841 9.018 1.00 21.20 O ATOM 178 CB TRP A 11 -3.773 -0.218 8.149 1.00 25.03 C ATOM 179 CG TRP A 11 -4.995 -0.001 7.308 1.00 34.01 C ATOM 180 CD1 TRP A 11 -6.130 0.671 7.660 1.00 32.41 C ATOM 181 CD2 TRP A 11 -5.199 -0.461 5.968 1.00 44.02 C ATOM 182 NE1 TRP A 11 -7.030 0.651 6.622 1.00 42.24 N ATOM 183 CE2 TRP A 11 -6.480 -0.038 5.572 1.00 33.10 C ATOM 184 CE3 TRP A 11 -4.421 -1.194 5.067 1.00 22.03 C ATOM 185 CZ2 TRP A 11 -6.998 -0.325 4.310 1.00 71.21 C ATOM 186 CZ3 TRP A 11 -4.937 -1.474 3.816 1.00 32.02 C ATOM 187 CH2 TRP A 11 -6.216 -1.041 3.449 1.00 23.44 C ATOM 0 H TRP A 11 -1.876 -1.073 9.437 1.00 42.21 H new ATOM 0 HA TRP A 11 -4.595 -0.874 10.022 1.00 4.11 H new ATOM 0 HB2 TRP A 11 -3.493 0.727 8.614 1.00 25.03 H new ATOM 0 HB3 TRP A 11 -2.947 -0.512 7.502 1.00 25.03 H new ATOM 0 HD1 TRP A 11 -6.296 1.148 8.614 1.00 32.41 H new ATOM 0 HE1 TRP A 11 -7.956 1.079 6.631 1.00 42.24 H new ATOM 0 HE3 TRP A 11 -3.434 -1.535 5.344 1.00 22.03 H new ATOM 0 HZ2 TRP A 11 -7.985 0.008 4.023 1.00 71.21 H new ATOM 0 HZ3 TRP A 11 -4.344 -2.036 3.110 1.00 32.02 H new ATOM 0 HH2 TRP A 11 -6.592 -1.278 2.465 1.00 23.44 H new ATOM 198 N TYR A 12 -3.871 -3.263 7.853 1.00 25.44 N ATOM 199 CA TYR A 12 -4.384 -4.485 7.245 1.00 53.33 C ATOM 200 C TYR A 12 -4.789 -5.504 8.309 1.00 15.44 C ATOM 201 O TYR A 12 -5.859 -6.114 8.218 1.00 42.45 O ATOM 202 CB TYR A 12 -3.332 -5.081 6.299 1.00 3.51 C ATOM 203 CG TYR A 12 -3.565 -6.535 5.949 1.00 51.25 C ATOM 204 CD1 TYR A 12 -4.711 -6.943 5.278 1.00 50.00 C ATOM 205 CD2 TYR A 12 -2.634 -7.501 6.307 1.00 71.31 C ATOM 206 CE1 TYR A 12 -4.919 -8.273 4.973 1.00 41.21 C ATOM 207 CE2 TYR A 12 -2.836 -8.831 6.007 1.00 33.20 C ATOM 208 CZ TYR A 12 -3.981 -9.211 5.341 1.00 4.23 C ATOM 209 OH TYR A 12 -4.188 -10.535 5.041 1.00 53.22 O ATOM 0 H TYR A 12 -2.914 -3.031 7.587 1.00 25.44 H new ATOM 0 HA TYR A 12 -5.276 -4.234 6.671 1.00 53.33 H new ATOM 0 HB2 TYR A 12 -3.314 -4.496 5.379 1.00 3.51 H new ATOM 0 HB3 TYR A 12 -2.349 -4.983 6.759 1.00 3.51 H new ATOM 0 HD1 TYR A 12 -5.450 -6.209 4.991 1.00 50.00 H new ATOM 0 HD2 TYR A 12 -1.736 -7.205 6.829 1.00 71.31 H new ATOM 0 HE1 TYR A 12 -5.813 -8.576 4.448 1.00 41.21 H new ATOM 0 HE2 TYR A 12 -2.102 -9.570 6.292 1.00 33.20 H new ATOM 0 HH TYR A 12 -3.432 -11.067 5.368 1.00 53.22 H new ATOM 219 N GLU A 13 -3.949 -5.661 9.325 1.00 50.24 N ATOM 220 CA GLU A 13 -4.185 -6.644 10.377 1.00 5.15 C ATOM 221 C GLU A 13 -5.509 -6.385 11.100 1.00 12.32 C ATOM 222 O GLU A 13 -6.220 -7.321 11.466 1.00 73.10 O ATOM 223 CB GLU A 13 -3.024 -6.633 11.375 1.00 3.31 C ATOM 224 CG GLU A 13 -3.092 -7.758 12.392 1.00 63.42 C ATOM 225 CD GLU A 13 -1.974 -7.703 13.408 1.00 33.41 C ATOM 226 OE1 GLU A 13 -2.119 -6.977 14.414 1.00 32.03 O ATOM 227 OE2 GLU A 13 -0.953 -8.396 13.220 1.00 21.45 O ATOM 0 H GLU A 13 -3.094 -5.118 9.443 1.00 50.24 H new ATOM 0 HA GLU A 13 -4.249 -7.627 9.911 1.00 5.15 H new ATOM 0 HB2 GLU A 13 -2.084 -6.704 10.828 1.00 3.31 H new ATOM 0 HB3 GLU A 13 -3.016 -5.678 11.901 1.00 3.31 H new ATOM 0 HG2 GLU A 13 -4.050 -7.714 12.911 1.00 63.42 H new ATOM 0 HG3 GLU A 13 -3.055 -8.715 11.871 1.00 63.42 H new ATOM 234 N VAL A 14 -5.852 -5.122 11.292 1.00 24.11 N ATOM 235 CA VAL A 14 -7.077 -4.772 12.002 1.00 21.41 C ATOM 236 C VAL A 14 -8.253 -4.643 11.037 1.00 42.31 C ATOM 237 O VAL A 14 -9.412 -4.783 11.427 1.00 31.54 O ATOM 238 CB VAL A 14 -6.926 -3.438 12.773 1.00 13.12 C ATOM 239 CG1 VAL A 14 -8.118 -3.200 13.687 1.00 0.24 C ATOM 240 CG2 VAL A 14 -5.629 -3.409 13.568 1.00 12.43 C ATOM 0 H VAL A 14 -5.305 -4.324 10.969 1.00 24.11 H new ATOM 0 HA VAL A 14 -7.268 -5.578 12.711 1.00 21.41 H new ATOM 0 HB VAL A 14 -6.892 -2.633 12.039 1.00 13.12 H new ATOM 0 HG11 VAL A 14 -7.987 -2.257 14.217 1.00 0.24 H new ATOM 0 HG12 VAL A 14 -9.030 -3.159 13.092 1.00 0.24 H new ATOM 0 HG13 VAL A 14 -8.192 -4.014 14.408 1.00 0.24 H new ATOM 0 HG21 VAL A 14 -5.549 -2.461 14.099 1.00 12.43 H new ATOM 0 HG22 VAL A 14 -5.624 -4.229 14.286 1.00 12.43 H new ATOM 0 HG23 VAL A 14 -4.783 -3.516 12.889 1.00 12.43 H new ATOM 250 N ASN A 15 -7.953 -4.408 9.770 1.00 31.22 N ATOM 251 CA ASN A 15 -8.977 -3.973 8.830 1.00 52.44 C ATOM 252 C ASN A 15 -9.457 -5.099 7.927 1.00 23.44 C ATOM 253 O ASN A 15 -10.656 -5.281 7.746 1.00 13.04 O ATOM 254 CB ASN A 15 -8.443 -2.826 7.973 1.00 15.13 C ATOM 255 CG ASN A 15 -9.470 -1.740 7.748 1.00 72.13 C ATOM 256 OD1 ASN A 15 -10.202 -1.750 6.760 1.00 64.04 O ATOM 257 ND2 ASN A 15 -9.522 -0.790 8.668 1.00 72.14 N ATOM 0 H ASN A 15 -7.020 -4.509 9.370 1.00 31.22 H new ATOM 0 HA ASN A 15 -9.831 -3.639 9.420 1.00 52.44 H new ATOM 0 HB2 ASN A 15 -7.565 -2.396 8.455 1.00 15.13 H new ATOM 0 HB3 ASN A 15 -8.118 -3.218 7.009 1.00 15.13 H new ATOM 0 HD21 ASN A 15 -10.190 -0.025 8.574 1.00 72.14 H new ATOM 0 HD22 ASN A 15 -8.894 -0.823 9.471 1.00 72.14 H new ATOM 264 N LYS A 16 -8.525 -5.851 7.356 1.00 52.24 N ATOM 265 CA LYS A 16 -8.878 -6.837 6.339 1.00 64.33 C ATOM 266 C LYS A 16 -8.472 -8.250 6.742 1.00 51.13 C ATOM 267 O LYS A 16 -8.997 -9.221 6.202 1.00 53.42 O ATOM 268 CB LYS A 16 -8.218 -6.471 5.005 1.00 14.31 C ATOM 269 CG LYS A 16 -8.515 -5.052 4.546 1.00 12.15 C ATOM 270 CD LYS A 16 -10.004 -4.827 4.339 1.00 3.13 C ATOM 271 CE LYS A 16 -10.309 -3.367 4.050 1.00 64.04 C ATOM 272 NZ LYS A 16 -11.768 -3.125 3.904 1.00 74.22 N ATOM 0 H LYS A 16 -7.530 -5.800 7.575 1.00 52.24 H new ATOM 0 HA LYS A 16 -9.963 -6.822 6.234 1.00 64.33 H new ATOM 0 HB2 LYS A 16 -7.139 -6.595 5.097 1.00 14.31 H new ATOM 0 HB3 LYS A 16 -8.555 -7.169 4.239 1.00 14.31 H new ATOM 0 HG2 LYS A 16 -8.140 -4.345 5.285 1.00 12.15 H new ATOM 0 HG3 LYS A 16 -7.984 -4.852 3.615 1.00 12.15 H new ATOM 0 HD2 LYS A 16 -10.355 -5.444 3.512 1.00 3.13 H new ATOM 0 HD3 LYS A 16 -10.549 -5.145 5.228 1.00 3.13 H new ATOM 0 HE2 LYS A 16 -9.917 -2.747 4.857 1.00 64.04 H new ATOM 0 HE3 LYS A 16 -9.797 -3.063 3.137 1.00 64.04 H new ATOM 0 HZ1 LYS A 16 -11.935 -2.117 3.708 1.00 74.22 H new ATOM 0 HZ2 LYS A 16 -12.138 -3.697 3.118 1.00 74.22 H new ATOM 0 HZ3 LYS A 16 -12.254 -3.391 4.784 1.00 74.22 H new ATOM 286 N LEU A 17 -7.554 -8.356 7.698 1.00 51.33 N ATOM 287 CA LEU A 17 -7.000 -9.651 8.101 1.00 72.13 C ATOM 288 C LEU A 17 -8.087 -10.688 8.427 1.00 41.23 C ATOM 289 O LEU A 17 -8.085 -11.776 7.849 1.00 42.13 O ATOM 290 CB LEU A 17 -6.063 -9.489 9.299 1.00 55.51 C ATOM 291 CG LEU A 17 -5.250 -10.732 9.650 1.00 72.22 C ATOM 292 CD1 LEU A 17 -4.209 -10.999 8.578 1.00 41.13 C ATOM 293 CD2 LEU A 17 -4.596 -10.577 11.012 1.00 40.11 C ATOM 0 H LEU A 17 -7.175 -7.560 8.211 1.00 51.33 H new ATOM 0 HA LEU A 17 -6.438 -10.026 7.245 1.00 72.13 H new ATOM 0 HB2 LEU A 17 -5.375 -8.668 9.096 1.00 55.51 H new ATOM 0 HB3 LEU A 17 -6.654 -9.202 10.168 1.00 55.51 H new ATOM 0 HG LEU A 17 -5.924 -11.587 9.696 1.00 72.22 H new ATOM 0 HD11 LEU A 17 -3.636 -11.888 8.841 1.00 41.13 H new ATOM 0 HD12 LEU A 17 -4.705 -11.157 7.620 1.00 41.13 H new ATOM 0 HD13 LEU A 17 -3.537 -10.144 8.502 1.00 41.13 H new ATOM 0 HD21 LEU A 17 -4.021 -11.474 11.244 1.00 40.11 H new ATOM 0 HD22 LEU A 17 -3.932 -9.713 11.000 1.00 40.11 H new ATOM 0 HD23 LEU A 17 -5.365 -10.433 11.771 1.00 40.11 H new ATOM 305 N PRO A 18 -9.030 -10.386 9.347 1.00 43.13 N ATOM 306 CA PRO A 18 -10.082 -11.336 9.718 1.00 35.51 C ATOM 307 C PRO A 18 -11.277 -11.309 8.761 1.00 71.21 C ATOM 308 O PRO A 18 -12.375 -11.749 9.112 1.00 73.14 O ATOM 309 CB PRO A 18 -10.501 -10.851 11.106 1.00 74.02 C ATOM 310 CG PRO A 18 -10.257 -9.380 11.096 1.00 10.11 C ATOM 311 CD PRO A 18 -9.149 -9.123 10.108 1.00 4.44 C ATOM 0 HA PRO A 18 -9.729 -12.367 9.687 1.00 35.51 H new ATOM 0 HB2 PRO A 18 -11.550 -11.075 11.301 1.00 74.02 H new ATOM 0 HB3 PRO A 18 -9.919 -11.341 11.887 1.00 74.02 H new ATOM 0 HG2 PRO A 18 -11.161 -8.841 10.811 1.00 10.11 H new ATOM 0 HG3 PRO A 18 -9.977 -9.029 12.089 1.00 10.11 H new ATOM 0 HD2 PRO A 18 -9.388 -8.286 9.452 1.00 4.44 H new ATOM 0 HD3 PRO A 18 -8.216 -8.875 10.614 1.00 4.44 H new ATOM 319 N HIS A 19 -11.065 -10.812 7.545 1.00 42.11 N ATOM 320 CA HIS A 19 -12.162 -10.657 6.593 1.00 3.50 C ATOM 321 C HIS A 19 -11.813 -11.239 5.224 1.00 50.42 C ATOM 322 O HIS A 19 -12.519 -12.114 4.717 1.00 53.24 O ATOM 323 CB HIS A 19 -12.540 -9.179 6.438 1.00 4.31 C ATOM 324 CG HIS A 19 -12.924 -8.513 7.724 1.00 20.12 C ATOM 325 ND1 HIS A 19 -14.187 -8.634 8.253 1.00 43.34 N ATOM 326 CD2 HIS A 19 -12.171 -7.747 8.545 1.00 30.10 C ATOM 327 CE1 HIS A 19 -14.171 -7.940 9.381 1.00 63.33 C ATOM 328 NE2 HIS A 19 -12.971 -7.385 9.597 1.00 40.21 N ATOM 0 H HIS A 19 -10.154 -10.512 7.198 1.00 42.11 H new ATOM 0 HA HIS A 19 -13.012 -11.210 6.993 1.00 3.50 H new ATOM 0 HB2 HIS A 19 -11.698 -8.643 6.000 1.00 4.31 H new ATOM 0 HB3 HIS A 19 -13.370 -9.098 5.736 1.00 4.31 H new ATOM 0 HD2 HIS A 19 -11.137 -7.473 8.400 1.00 30.10 H new ATOM 0 HE1 HIS A 19 -15.018 -7.835 10.043 1.00 63.33 H new ATOM 0 HE2 HIS A 19 -12.704 -6.804 10.392 1.00 40.21 H new ATOM 336 N VAL A 20 -10.724 -10.763 4.635 1.00 32.42 N ATOM 337 CA VAL A 20 -10.378 -11.123 3.265 1.00 41.34 C ATOM 338 C VAL A 20 -9.915 -12.573 3.152 1.00 62.15 C ATOM 339 O VAL A 20 -9.351 -13.141 4.092 1.00 2.35 O ATOM 340 CB VAL A 20 -9.291 -10.193 2.680 1.00 15.01 C ATOM 341 CG1 VAL A 20 -9.771 -8.752 2.671 1.00 24.34 C ATOM 342 CG2 VAL A 20 -7.984 -10.320 3.449 1.00 74.51 C ATOM 0 H VAL A 20 -10.065 -10.127 5.084 1.00 32.42 H new ATOM 0 HA VAL A 20 -11.293 -11.002 2.686 1.00 41.34 H new ATOM 0 HB VAL A 20 -9.103 -10.502 1.652 1.00 15.01 H new ATOM 0 HG11 VAL A 20 -8.993 -8.112 2.256 1.00 24.34 H new ATOM 0 HG12 VAL A 20 -10.671 -8.672 2.061 1.00 24.34 H new ATOM 0 HG13 VAL A 20 -9.995 -8.437 3.690 1.00 24.34 H new ATOM 0 HG21 VAL A 20 -7.239 -9.654 3.014 1.00 74.51 H new ATOM 0 HG22 VAL A 20 -8.148 -10.049 4.492 1.00 74.51 H new ATOM 0 HG23 VAL A 20 -7.627 -11.348 3.393 1.00 74.51 H new ATOM 352 N SER A 21 -10.171 -13.164 1.995 1.00 53.12 N ATOM 353 CA SER A 21 -9.772 -14.532 1.714 1.00 53.33 C ATOM 354 C SER A 21 -8.248 -14.647 1.630 1.00 64.42 C ATOM 355 O SER A 21 -7.546 -13.640 1.519 1.00 45.10 O ATOM 356 CB SER A 21 -10.410 -14.980 0.397 1.00 23.22 C ATOM 357 OG SER A 21 -11.798 -14.690 0.385 1.00 51.23 O ATOM 0 H SER A 21 -10.661 -12.708 1.225 1.00 53.12 H new ATOM 0 HA SER A 21 -10.113 -15.176 2.524 1.00 53.33 H new ATOM 0 HB2 SER A 21 -9.922 -14.478 -0.438 1.00 23.22 H new ATOM 0 HB3 SER A 21 -10.256 -16.050 0.259 1.00 23.22 H new ATOM 0 HG SER A 21 -12.186 -14.983 -0.466 1.00 51.23 H new ATOM 363 N GLU A 22 -7.743 -15.876 1.666 1.00 20.41 N ATOM 364 CA GLU A 22 -6.304 -16.119 1.600 1.00 72.14 C ATOM 365 C GLU A 22 -5.741 -15.623 0.274 1.00 44.34 C ATOM 366 O GLU A 22 -4.603 -15.154 0.206 1.00 21.35 O ATOM 367 CB GLU A 22 -6.005 -17.607 1.780 1.00 14.34 C ATOM 368 CG GLU A 22 -6.527 -18.166 3.089 1.00 4.13 C ATOM 369 CD GLU A 22 -6.142 -19.611 3.306 1.00 21.43 C ATOM 370 OE1 GLU A 22 -6.864 -20.504 2.818 1.00 15.33 O ATOM 371 OE2 GLU A 22 -5.135 -19.862 3.994 1.00 62.42 O ATOM 0 H GLU A 22 -8.309 -16.721 1.741 1.00 20.41 H new ATOM 0 HA GLU A 22 -5.824 -15.568 2.409 1.00 72.14 H new ATOM 0 HB2 GLU A 22 -6.447 -18.163 0.953 1.00 14.34 H new ATOM 0 HB3 GLU A 22 -4.927 -17.763 1.729 1.00 14.34 H new ATOM 0 HG2 GLU A 22 -6.143 -17.565 3.914 1.00 4.13 H new ATOM 0 HG3 GLU A 22 -7.613 -18.078 3.109 1.00 4.13 H new ATOM 378 N SER A 23 -6.558 -15.714 -0.768 1.00 45.32 N ATOM 379 CA SER A 23 -6.196 -15.210 -2.082 1.00 54.53 C ATOM 380 C SER A 23 -5.923 -13.706 -2.023 1.00 51.44 C ATOM 381 O SER A 23 -5.079 -13.191 -2.749 1.00 43.31 O ATOM 382 CB SER A 23 -7.331 -15.502 -3.063 1.00 62.44 C ATOM 383 OG SER A 23 -7.858 -16.803 -2.851 1.00 12.02 O ATOM 0 H SER A 23 -7.485 -16.137 -0.724 1.00 45.32 H new ATOM 0 HA SER A 23 -5.287 -15.708 -2.418 1.00 54.53 H new ATOM 0 HB2 SER A 23 -8.121 -14.761 -2.943 1.00 62.44 H new ATOM 0 HB3 SER A 23 -6.965 -15.415 -4.086 1.00 62.44 H new ATOM 0 HG SER A 23 -8.584 -16.970 -3.488 1.00 12.02 H new ATOM 389 N THR A 24 -6.634 -13.011 -1.140 1.00 41.33 N ATOM 390 CA THR A 24 -6.458 -11.576 -0.971 1.00 10.11 C ATOM 391 C THR A 24 -5.342 -11.281 0.034 1.00 61.02 C ATOM 392 O THR A 24 -4.627 -10.283 -0.091 1.00 54.41 O ATOM 393 CB THR A 24 -7.768 -10.905 -0.506 1.00 60.33 C ATOM 394 OG1 THR A 24 -8.822 -11.195 -1.438 1.00 3.23 O ATOM 395 CG2 THR A 24 -7.599 -9.398 -0.385 1.00 4.32 C ATOM 0 H THR A 24 -7.340 -13.422 -0.529 1.00 41.33 H new ATOM 0 HA THR A 24 -6.181 -11.163 -1.941 1.00 10.11 H new ATOM 0 HB THR A 24 -8.023 -11.304 0.476 1.00 60.33 H new ATOM 0 HG1 THR A 24 -9.651 -10.768 -1.137 1.00 3.23 H new ATOM 0 HG21 THR A 24 -8.537 -8.952 -0.056 1.00 4.32 H new ATOM 0 HG22 THR A 24 -6.817 -9.177 0.342 1.00 4.32 H new ATOM 0 HG23 THR A 24 -7.321 -8.984 -1.354 1.00 4.32 H new ATOM 403 N LYS A 25 -5.182 -12.166 1.016 1.00 33.20 N ATOM 404 CA LYS A 25 -4.143 -12.005 2.030 1.00 20.02 C ATOM 405 C LYS A 25 -2.762 -11.898 1.387 1.00 74.42 C ATOM 406 O LYS A 25 -1.926 -11.103 1.816 1.00 42.22 O ATOM 407 CB LYS A 25 -4.161 -13.172 3.028 1.00 71.22 C ATOM 408 CG LYS A 25 -5.398 -13.216 3.916 1.00 42.02 C ATOM 409 CD LYS A 25 -5.202 -14.170 5.086 1.00 73.12 C ATOM 410 CE LYS A 25 -6.354 -14.100 6.081 1.00 11.31 C ATOM 411 NZ LYS A 25 -7.586 -14.758 5.573 1.00 25.34 N ATOM 0 H LYS A 25 -5.758 -13.000 1.131 1.00 33.20 H new ATOM 0 HA LYS A 25 -4.353 -11.080 2.568 1.00 20.02 H new ATOM 0 HB2 LYS A 25 -4.091 -14.109 2.475 1.00 71.22 H new ATOM 0 HB3 LYS A 25 -3.276 -13.108 3.661 1.00 71.22 H new ATOM 0 HG2 LYS A 25 -5.615 -12.216 4.291 1.00 42.02 H new ATOM 0 HG3 LYS A 25 -6.260 -13.530 3.328 1.00 42.02 H new ATOM 0 HD2 LYS A 25 -5.109 -15.189 4.711 1.00 73.12 H new ATOM 0 HD3 LYS A 25 -4.268 -13.931 5.595 1.00 73.12 H new ATOM 0 HE2 LYS A 25 -6.052 -14.573 7.015 1.00 11.31 H new ATOM 0 HE3 LYS A 25 -6.571 -13.056 6.308 1.00 11.31 H new ATOM 0 HZ1 LYS A 25 -8.140 -15.123 6.374 1.00 25.34 H new ATOM 0 HZ2 LYS A 25 -8.156 -14.067 5.044 1.00 25.34 H new ATOM 0 HZ3 LYS A 25 -7.326 -15.545 4.945 1.00 25.34 H new ATOM 425 N ARG A 26 -2.537 -12.687 0.340 1.00 41.15 N ATOM 426 CA ARG A 26 -1.252 -12.674 -0.352 1.00 11.45 C ATOM 427 C ARG A 26 -1.052 -11.373 -1.133 1.00 3.23 C ATOM 428 O ARG A 26 0.085 -10.953 -1.352 1.00 14.35 O ATOM 429 CB ARG A 26 -1.105 -13.888 -1.274 1.00 11.21 C ATOM 430 CG ARG A 26 -2.154 -13.974 -2.363 1.00 42.23 C ATOM 431 CD ARG A 26 -1.971 -15.225 -3.201 1.00 15.52 C ATOM 432 NE ARG A 26 -3.031 -15.377 -4.193 1.00 52.53 N ATOM 433 CZ ARG A 26 -3.457 -16.551 -4.652 1.00 73.50 C ATOM 434 NH1 ARG A 26 -2.875 -17.677 -4.257 1.00 55.05 N ATOM 435 NH2 ARG A 26 -4.460 -16.592 -5.518 1.00 43.13 N ATOM 0 H ARG A 26 -3.221 -13.338 -0.045 1.00 41.15 H new ATOM 0 HA ARG A 26 -0.473 -12.732 0.408 1.00 11.45 H new ATOM 0 HB2 ARG A 26 -0.119 -13.860 -1.737 1.00 11.21 H new ATOM 0 HB3 ARG A 26 -1.149 -14.795 -0.671 1.00 11.21 H new ATOM 0 HG2 ARG A 26 -3.148 -13.975 -1.915 1.00 42.23 H new ATOM 0 HG3 ARG A 26 -2.093 -13.093 -3.002 1.00 42.23 H new ATOM 0 HD2 ARG A 26 -1.005 -15.186 -3.705 1.00 15.52 H new ATOM 0 HD3 ARG A 26 -1.956 -16.099 -2.550 1.00 15.52 H new ATOM 0 HE ARG A 26 -3.472 -14.532 -4.556 1.00 52.53 H new ATOM 0 HH11 ARG A 26 -2.097 -17.645 -3.598 1.00 55.05 H new ATOM 0 HH12 ARG A 26 -3.206 -18.574 -4.612 1.00 55.05 H new ATOM 0 HH21 ARG A 26 -4.901 -15.726 -5.829 1.00 43.13 H new ATOM 0 HH22 ARG A 26 -4.791 -17.489 -5.873 1.00 43.13 H new ATOM 449 N HIS A 27 -2.149 -10.744 -1.566 1.00 71.55 N ATOM 450 CA HIS A 27 -2.065 -9.440 -2.229 1.00 64.20 C ATOM 451 C HIS A 27 -1.436 -8.422 -1.289 1.00 33.32 C ATOM 452 O HIS A 27 -0.478 -7.737 -1.646 1.00 42.50 O ATOM 453 CB HIS A 27 -3.445 -8.931 -2.668 1.00 61.25 C ATOM 454 CG HIS A 27 -4.006 -9.602 -3.884 1.00 45.23 C ATOM 455 ND1 HIS A 27 -3.560 -9.289 -5.142 1.00 51.42 N ATOM 456 CD2 HIS A 27 -4.990 -10.525 -3.983 1.00 21.32 C ATOM 457 CE1 HIS A 27 -4.278 -10.017 -5.976 1.00 42.34 C ATOM 458 NE2 HIS A 27 -5.162 -10.783 -5.318 1.00 71.12 N ATOM 0 H HIS A 27 -3.096 -11.112 -1.471 1.00 71.55 H new ATOM 0 HA HIS A 27 -1.449 -9.566 -3.119 1.00 64.20 H new ATOM 0 HB2 HIS A 27 -4.144 -9.063 -1.843 1.00 61.25 H new ATOM 0 HB3 HIS A 27 -3.377 -7.860 -2.860 1.00 61.25 H new ATOM 0 HD2 HIS A 27 -5.536 -10.973 -3.166 1.00 21.32 H new ATOM 0 HE1 HIS A 27 -4.168 -9.999 -7.050 1.00 42.34 H new ATOM 0 HE2 HIS A 27 -5.832 -11.432 -5.731 1.00 71.12 H new ATOM 466 N TYR A 28 -1.976 -8.345 -0.077 1.00 72.12 N ATOM 467 CA TYR A 28 -1.454 -7.431 0.935 1.00 35.25 C ATOM 468 C TYR A 28 -0.031 -7.808 1.316 1.00 32.35 C ATOM 469 O TYR A 28 0.829 -6.941 1.453 1.00 32.14 O ATOM 470 CB TYR A 28 -2.341 -7.434 2.181 1.00 52.24 C ATOM 471 CG TYR A 28 -3.689 -6.782 1.980 1.00 4.23 C ATOM 472 CD1 TYR A 28 -3.858 -5.422 2.201 1.00 13.25 C ATOM 473 CD2 TYR A 28 -4.793 -7.526 1.583 1.00 12.32 C ATOM 474 CE1 TYR A 28 -5.089 -4.820 2.031 1.00 20.44 C ATOM 475 CE2 TYR A 28 -6.028 -6.930 1.412 1.00 52.21 C ATOM 476 CZ TYR A 28 -6.170 -5.579 1.637 1.00 45.34 C ATOM 477 OH TYR A 28 -7.399 -4.983 1.464 1.00 60.31 O ATOM 0 H TYR A 28 -2.773 -8.903 0.229 1.00 72.12 H new ATOM 0 HA TYR A 28 -1.452 -6.428 0.509 1.00 35.25 H new ATOM 0 HB2 TYR A 28 -2.492 -8.464 2.504 1.00 52.24 H new ATOM 0 HB3 TYR A 28 -1.818 -6.921 2.988 1.00 52.24 H new ATOM 0 HD1 TYR A 28 -3.013 -4.825 2.511 1.00 13.25 H new ATOM 0 HD2 TYR A 28 -4.684 -8.586 1.405 1.00 12.32 H new ATOM 0 HE1 TYR A 28 -5.204 -3.760 2.206 1.00 20.44 H new ATOM 0 HE2 TYR A 28 -6.878 -7.521 1.103 1.00 52.21 H new ATOM 0 HH TYR A 28 -7.397 -4.464 0.632 1.00 60.31 H new ATOM 487 N GLU A 29 0.207 -9.106 1.482 1.00 31.13 N ATOM 488 CA GLU A 29 1.526 -9.620 1.799 1.00 4.52 C ATOM 489 C GLU A 29 2.557 -9.157 0.772 1.00 74.14 C ATOM 490 O GLU A 29 3.606 -8.626 1.127 1.00 44.23 O ATOM 491 CB GLU A 29 1.455 -11.142 1.836 1.00 5.41 C ATOM 492 CG GLU A 29 2.131 -11.757 3.040 1.00 35.31 C ATOM 493 CD GLU A 29 3.612 -11.987 2.832 1.00 62.10 C ATOM 494 OE1 GLU A 29 3.983 -13.059 2.304 1.00 71.25 O ATOM 495 OE2 GLU A 29 4.419 -11.105 3.190 1.00 42.01 O ATOM 0 H GLU A 29 -0.511 -9.826 1.400 1.00 31.13 H new ATOM 0 HA GLU A 29 1.840 -9.238 2.770 1.00 4.52 H new ATOM 0 HB2 GLU A 29 0.409 -11.448 1.823 1.00 5.41 H new ATOM 0 HB3 GLU A 29 1.914 -11.540 0.931 1.00 5.41 H new ATOM 0 HG2 GLU A 29 1.987 -11.106 3.903 1.00 35.31 H new ATOM 0 HG3 GLU A 29 1.651 -12.707 3.274 1.00 35.31 H new ATOM 502 N SER A 30 2.236 -9.341 -0.505 1.00 32.44 N ATOM 503 CA SER A 30 3.135 -8.951 -1.584 1.00 35.43 C ATOM 504 C SER A 30 3.291 -7.431 -1.640 1.00 32.51 C ATOM 505 O SER A 30 4.384 -6.917 -1.887 1.00 40.43 O ATOM 506 CB SER A 30 2.611 -9.485 -2.915 1.00 62.51 C ATOM 507 OG SER A 30 2.414 -10.893 -2.854 1.00 24.23 O ATOM 0 H SER A 30 1.359 -9.758 -0.817 1.00 32.44 H new ATOM 0 HA SER A 30 4.117 -9.382 -1.392 1.00 35.43 H new ATOM 0 HB2 SER A 30 1.671 -8.993 -3.165 1.00 62.51 H new ATOM 0 HB3 SER A 30 3.317 -9.246 -3.711 1.00 62.51 H new ATOM 0 HG SER A 30 1.604 -11.088 -2.338 1.00 24.23 H new ATOM 513 N ALA A 31 2.194 -6.721 -1.397 1.00 21.53 N ATOM 514 CA ALA A 31 2.219 -5.266 -1.352 1.00 5.33 C ATOM 515 C ALA A 31 3.163 -4.782 -0.258 1.00 15.14 C ATOM 516 O ALA A 31 3.988 -3.893 -0.476 1.00 14.31 O ATOM 517 CB ALA A 31 0.816 -4.726 -1.122 1.00 1.14 C ATOM 0 H ALA A 31 1.276 -7.132 -1.228 1.00 21.53 H new ATOM 0 HA ALA A 31 2.585 -4.893 -2.309 1.00 5.33 H new ATOM 0 HB1 ALA A 31 0.846 -3.637 -1.090 1.00 1.14 H new ATOM 0 HB2 ALA A 31 0.165 -5.047 -1.935 1.00 1.14 H new ATOM 0 HB3 ALA A 31 0.430 -5.106 -0.176 1.00 1.14 H new ATOM 523 N TYR A 32 3.048 -5.400 0.912 1.00 21.22 N ATOM 524 CA TYR A 32 3.885 -5.071 2.057 1.00 73.05 C ATOM 525 C TYR A 32 5.363 -5.291 1.739 1.00 1.10 C ATOM 526 O TYR A 32 6.217 -4.536 2.199 1.00 74.40 O ATOM 527 CB TYR A 32 3.456 -5.905 3.272 1.00 42.52 C ATOM 528 CG TYR A 32 4.338 -5.731 4.489 1.00 30.30 C ATOM 529 CD1 TYR A 32 4.366 -4.532 5.196 1.00 71.44 C ATOM 530 CD2 TYR A 32 5.144 -6.771 4.928 1.00 14.31 C ATOM 531 CE1 TYR A 32 5.175 -4.379 6.308 1.00 55.41 C ATOM 532 CE2 TYR A 32 5.953 -6.628 6.037 1.00 32.44 C ATOM 533 CZ TYR A 32 5.969 -5.432 6.724 1.00 13.43 C ATOM 534 OH TYR A 32 6.782 -5.291 7.830 1.00 62.34 O ATOM 0 H TYR A 32 2.372 -6.142 1.092 1.00 21.22 H new ATOM 0 HA TYR A 32 3.754 -4.015 2.292 1.00 73.05 H new ATOM 0 HB2 TYR A 32 2.433 -5.639 3.538 1.00 42.52 H new ATOM 0 HB3 TYR A 32 3.448 -6.958 2.991 1.00 42.52 H new ATOM 0 HD1 TYR A 32 3.747 -3.709 4.872 1.00 71.44 H new ATOM 0 HD2 TYR A 32 5.138 -7.709 4.393 1.00 14.31 H new ATOM 0 HE1 TYR A 32 5.186 -3.443 6.847 1.00 55.41 H new ATOM 0 HE2 TYR A 32 6.572 -7.450 6.366 1.00 32.44 H new ATOM 0 HH TYR A 32 7.271 -6.126 7.985 1.00 62.34 H new ATOM 544 N LYS A 33 5.660 -6.313 0.939 1.00 24.42 N ATOM 545 CA LYS A 33 7.036 -6.586 0.526 1.00 60.41 C ATOM 546 C LYS A 33 7.600 -5.405 -0.237 1.00 73.54 C ATOM 547 O LYS A 33 8.723 -4.963 0.012 1.00 74.14 O ATOM 548 CB LYS A 33 7.109 -7.815 -0.377 1.00 51.43 C ATOM 549 CG LYS A 33 6.441 -9.033 0.205 1.00 11.12 C ATOM 550 CD LYS A 33 6.454 -10.198 -0.770 1.00 20.23 C ATOM 551 CE LYS A 33 5.583 -11.342 -0.279 1.00 34.43 C ATOM 552 NZ LYS A 33 6.091 -11.931 0.985 1.00 45.14 N ATOM 0 H LYS A 33 4.970 -6.964 0.565 1.00 24.42 H new ATOM 0 HA LYS A 33 7.616 -6.766 1.431 1.00 60.41 H new ATOM 0 HB2 LYS A 33 6.645 -7.580 -1.335 1.00 51.43 H new ATOM 0 HB3 LYS A 33 8.155 -8.046 -0.578 1.00 51.43 H new ATOM 0 HG2 LYS A 33 6.949 -9.322 1.125 1.00 11.12 H new ATOM 0 HG3 LYS A 33 5.412 -8.792 0.471 1.00 11.12 H new ATOM 0 HD2 LYS A 33 6.101 -9.862 -1.745 1.00 20.23 H new ATOM 0 HD3 LYS A 33 7.477 -10.550 -0.905 1.00 20.23 H new ATOM 0 HE2 LYS A 33 4.565 -10.982 -0.127 1.00 34.43 H new ATOM 0 HE3 LYS A 33 5.536 -12.116 -1.045 1.00 34.43 H new ATOM 0 HZ1 LYS A 33 5.438 -12.673 1.309 1.00 45.14 H new ATOM 0 HZ2 LYS A 33 7.032 -12.344 0.822 1.00 45.14 H new ATOM 0 HZ3 LYS A 33 6.159 -11.189 1.711 1.00 45.14 H new ATOM 566 N HIS A 34 6.809 -4.893 -1.166 1.00 34.42 N ATOM 567 CA HIS A 34 7.254 -3.804 -2.013 1.00 61.33 C ATOM 568 C HIS A 34 7.309 -2.490 -1.238 1.00 30.24 C ATOM 569 O HIS A 34 8.170 -1.645 -1.489 1.00 74.12 O ATOM 570 CB HIS A 34 6.355 -3.664 -3.242 1.00 33.02 C ATOM 571 CG HIS A 34 6.566 -4.731 -4.270 1.00 22.23 C ATOM 572 ND1 HIS A 34 7.574 -4.703 -5.210 1.00 43.22 N ATOM 573 CD2 HIS A 34 5.872 -5.871 -4.501 1.00 44.00 C ATOM 574 CE1 HIS A 34 7.462 -5.800 -5.966 1.00 21.13 C ATOM 575 NE2 HIS A 34 6.444 -6.546 -5.578 1.00 43.43 N ATOM 0 H HIS A 34 5.859 -5.214 -1.351 1.00 34.42 H new ATOM 0 HA HIS A 34 8.263 -4.040 -2.352 1.00 61.33 H new ATOM 0 HB2 HIS A 34 5.313 -3.682 -2.922 1.00 33.02 H new ATOM 0 HB3 HIS A 34 6.531 -2.691 -3.700 1.00 33.02 H new ATOM 0 HD2 HIS A 34 5.012 -6.204 -3.940 1.00 44.00 H new ATOM 0 HE1 HIS A 34 8.119 -6.044 -6.788 1.00 21.13 H new ATOM 0 HE2 HIS A 34 6.140 -7.432 -5.982 1.00 43.43 H new ATOM 583 N ILE A 35 6.387 -2.319 -0.300 1.00 41.02 N ATOM 584 CA ILE A 35 6.390 -1.151 0.569 1.00 45.24 C ATOM 585 C ILE A 35 7.622 -1.167 1.468 1.00 3.40 C ATOM 586 O ILE A 35 8.300 -0.160 1.623 1.00 22.15 O ATOM 587 CB ILE A 35 5.112 -1.090 1.432 1.00 14.24 C ATOM 588 CG1 ILE A 35 3.887 -0.907 0.533 1.00 60.02 C ATOM 589 CG2 ILE A 35 5.203 0.035 2.456 1.00 4.25 C ATOM 590 CD1 ILE A 35 2.572 -0.923 1.280 1.00 33.31 C ATOM 0 H ILE A 35 5.627 -2.975 -0.122 1.00 41.02 H new ATOM 0 HA ILE A 35 6.416 -0.264 -0.064 1.00 45.24 H new ATOM 0 HB ILE A 35 5.012 -2.029 1.977 1.00 14.24 H new ATOM 0 HG12 ILE A 35 3.979 0.038 -0.002 1.00 60.02 H new ATOM 0 HG13 ILE A 35 3.877 -1.698 -0.217 1.00 60.02 H new ATOM 0 HG21 ILE A 35 4.291 0.059 3.053 1.00 4.25 H new ATOM 0 HG22 ILE A 35 6.059 -0.135 3.109 1.00 4.25 H new ATOM 0 HG23 ILE A 35 5.324 0.988 1.940 1.00 4.25 H new ATOM 0 HD11 ILE A 35 1.752 -0.788 0.575 1.00 33.31 H new ATOM 0 HD12 ILE A 35 2.456 -1.878 1.793 1.00 33.31 H new ATOM 0 HD13 ILE A 35 2.559 -0.115 2.011 1.00 33.31 H new ATOM 602 N LYS A 36 7.909 -2.330 2.031 1.00 43.21 N ATOM 603 CA LYS A 36 9.089 -2.531 2.867 1.00 41.15 C ATOM 604 C LYS A 36 10.369 -2.330 2.056 1.00 65.02 C ATOM 605 O LYS A 36 11.415 -1.984 2.598 1.00 0.03 O ATOM 606 CB LYS A 36 9.031 -3.934 3.484 1.00 62.31 C ATOM 607 CG LYS A 36 10.277 -4.364 4.247 1.00 70.34 C ATOM 608 CD LYS A 36 10.042 -5.671 4.998 1.00 24.42 C ATOM 609 CE LYS A 36 9.462 -6.751 4.093 1.00 53.13 C ATOM 610 NZ LYS A 36 9.178 -8.009 4.832 1.00 3.54 N ATOM 0 H LYS A 36 7.332 -3.164 1.923 1.00 43.21 H new ATOM 0 HA LYS A 36 9.099 -1.793 3.669 1.00 41.15 H new ATOM 0 HB2 LYS A 36 8.177 -3.980 4.160 1.00 62.31 H new ATOM 0 HB3 LYS A 36 8.846 -4.655 2.688 1.00 62.31 H new ATOM 0 HG2 LYS A 36 11.108 -4.485 3.552 1.00 70.34 H new ATOM 0 HG3 LYS A 36 10.562 -3.583 4.952 1.00 70.34 H new ATOM 0 HD2 LYS A 36 10.983 -6.020 5.422 1.00 24.42 H new ATOM 0 HD3 LYS A 36 9.363 -5.493 5.832 1.00 24.42 H new ATOM 0 HE2 LYS A 36 8.543 -6.385 3.636 1.00 53.13 H new ATOM 0 HE3 LYS A 36 10.161 -6.957 3.282 1.00 53.13 H new ATOM 0 HZ1 LYS A 36 9.148 -8.805 4.163 1.00 3.54 H new ATOM 0 HZ2 LYS A 36 9.926 -8.175 5.535 1.00 3.54 H new ATOM 0 HZ3 LYS A 36 8.261 -7.928 5.315 1.00 3.54 H new ATOM 624 N ASP A 37 10.279 -2.564 0.758 1.00 23.31 N ATOM 625 CA ASP A 37 11.397 -2.319 -0.150 1.00 1.12 C ATOM 626 C ASP A 37 11.653 -0.825 -0.322 1.00 22.00 C ATOM 627 O ASP A 37 12.774 -0.348 -0.146 1.00 45.31 O ATOM 628 CB ASP A 37 11.101 -2.952 -1.515 1.00 71.40 C ATOM 629 CG ASP A 37 12.004 -2.446 -2.626 1.00 11.03 C ATOM 630 OD1 ASP A 37 13.108 -3.002 -2.801 1.00 53.13 O ATOM 631 OD2 ASP A 37 11.602 -1.498 -3.342 1.00 53.51 O ATOM 0 H ASP A 37 9.441 -2.925 0.303 1.00 23.31 H new ATOM 0 HA ASP A 37 12.291 -2.770 0.281 1.00 1.12 H new ATOM 0 HB2 ASP A 37 11.207 -4.034 -1.436 1.00 71.40 H new ATOM 0 HB3 ASP A 37 10.063 -2.752 -1.782 1.00 71.40 H new ATOM 636 N HIS A 38 10.602 -0.093 -0.651 1.00 51.25 N ATOM 637 CA HIS A 38 10.733 1.316 -1.009 1.00 53.03 C ATOM 638 C HIS A 38 10.678 2.246 0.199 1.00 51.43 C ATOM 639 O HIS A 38 11.371 3.261 0.230 1.00 74.23 O ATOM 640 CB HIS A 38 9.645 1.701 -2.006 1.00 15.22 C ATOM 641 CG HIS A 38 10.156 1.892 -3.400 1.00 30.35 C ATOM 642 ND1 HIS A 38 10.767 0.895 -4.129 1.00 63.52 N ATOM 643 CD2 HIS A 38 10.146 2.985 -4.199 1.00 64.52 C ATOM 644 CE1 HIS A 38 11.107 1.367 -5.314 1.00 10.14 C ATOM 645 NE2 HIS A 38 10.742 2.633 -5.381 1.00 4.40 N ATOM 0 H HIS A 38 9.646 -0.448 -0.679 1.00 51.25 H new ATOM 0 HA HIS A 38 11.718 1.437 -1.459 1.00 53.03 H new ATOM 0 HB2 HIS A 38 8.877 0.927 -2.011 1.00 15.22 H new ATOM 0 HB3 HIS A 38 9.167 2.622 -1.673 1.00 15.22 H new ATOM 0 HD1 HIS A 38 10.931 -0.058 -3.804 1.00 63.52 H new ATOM 0 HD2 HIS A 38 9.743 3.955 -3.950 1.00 64.52 H new ATOM 0 HE1 HIS A 38 11.601 0.810 -6.097 1.00 10.14 H new ATOM 654 N PHE A 39 9.863 1.910 1.184 1.00 0.42 N ATOM 655 CA PHE A 39 9.634 2.803 2.312 1.00 63.34 C ATOM 656 C PHE A 39 10.039 2.165 3.634 1.00 24.54 C ATOM 657 O PHE A 39 9.222 1.581 4.346 1.00 32.02 O ATOM 658 CB PHE A 39 8.171 3.246 2.351 1.00 11.21 C ATOM 659 CG PHE A 39 7.767 4.024 1.133 1.00 4.12 C ATOM 660 CD1 PHE A 39 8.220 5.319 0.953 1.00 24.45 C ATOM 661 CD2 PHE A 39 6.948 3.463 0.168 1.00 1.42 C ATOM 662 CE1 PHE A 39 7.865 6.045 -0.163 1.00 63.21 C ATOM 663 CE2 PHE A 39 6.589 4.184 -0.957 1.00 40.21 C ATOM 664 CZ PHE A 39 7.047 5.477 -1.122 1.00 1.54 C ATOM 0 H PHE A 39 9.350 1.030 1.228 1.00 0.42 H new ATOM 0 HA PHE A 39 10.265 3.681 2.171 1.00 63.34 H new ATOM 0 HB2 PHE A 39 7.532 2.368 2.444 1.00 11.21 H new ATOM 0 HB3 PHE A 39 8.004 3.857 3.238 1.00 11.21 H new ATOM 0 HD1 PHE A 39 8.861 5.767 1.698 1.00 24.45 H new ATOM 0 HD2 PHE A 39 6.586 2.453 0.295 1.00 1.42 H new ATOM 0 HE1 PHE A 39 8.225 7.056 -0.288 1.00 63.21 H new ATOM 0 HE2 PHE A 39 5.952 3.737 -1.705 1.00 40.21 H new ATOM 0 HZ PHE A 39 6.767 6.043 -1.998 1.00 1.54 H new ATOM 674 N ARG A 40 11.318 2.279 3.941 1.00 45.33 N ATOM 675 CA ARG A 40 11.871 1.775 5.184 1.00 43.02 C ATOM 676 C ARG A 40 11.999 2.898 6.208 1.00 0.33 C ATOM 677 O ARG A 40 12.751 3.849 6.002 1.00 34.02 O ATOM 678 CB ARG A 40 13.236 1.139 4.920 1.00 5.11 C ATOM 679 CG ARG A 40 13.148 -0.215 4.244 1.00 44.25 C ATOM 680 CD ARG A 40 14.440 -0.580 3.537 1.00 73.24 C ATOM 681 NE ARG A 40 14.471 -0.081 2.163 1.00 65.03 N ATOM 682 CZ ARG A 40 15.576 0.317 1.539 1.00 62.34 C ATOM 683 NH1 ARG A 40 16.730 0.383 2.192 1.00 35.03 N ATOM 684 NH2 ARG A 40 15.517 0.675 0.263 1.00 3.43 N ATOM 0 H ARG A 40 12.005 2.725 3.333 1.00 45.33 H new ATOM 0 HA ARG A 40 11.197 1.020 5.589 1.00 43.02 H new ATOM 0 HB2 ARG A 40 13.827 1.810 4.297 1.00 5.11 H new ATOM 0 HB3 ARG A 40 13.767 1.031 5.866 1.00 5.11 H new ATOM 0 HG2 ARG A 40 12.913 -0.977 4.987 1.00 44.25 H new ATOM 0 HG3 ARG A 40 12.330 -0.209 3.524 1.00 44.25 H new ATOM 0 HD2 ARG A 40 15.285 -0.170 4.091 1.00 73.24 H new ATOM 0 HD3 ARG A 40 14.557 -1.664 3.532 1.00 73.24 H new ATOM 0 HE ARG A 40 13.590 -0.035 1.651 1.00 65.03 H new ATOM 0 HH11 ARG A 40 16.773 0.128 3.179 1.00 35.03 H new ATOM 0 HH12 ARG A 40 17.574 0.689 1.707 1.00 35.03 H new ATOM 0 HH21 ARG A 40 14.627 0.644 -0.235 1.00 3.43 H new ATOM 0 HH22 ARG A 40 16.361 0.981 -0.220 1.00 3.43 H new ATOM 698 N HIS A 41 11.233 2.789 7.296 1.00 10.22 N ATOM 699 CA HIS A 41 11.263 3.763 8.400 1.00 14.42 C ATOM 700 C HIS A 41 10.683 5.119 7.987 1.00 51.33 C ATOM 701 O HIS A 41 10.711 6.074 8.763 1.00 15.52 O ATOM 702 CB HIS A 41 12.689 3.962 8.940 1.00 12.40 C ATOM 703 CG HIS A 41 13.288 2.749 9.586 1.00 61.21 C ATOM 704 ND1 HIS A 41 14.611 2.675 9.955 1.00 42.41 N ATOM 705 CD2 HIS A 41 12.737 1.565 9.936 1.00 23.25 C ATOM 706 CE1 HIS A 41 14.848 1.501 10.503 1.00 62.02 C ATOM 707 NE2 HIS A 41 13.729 0.807 10.505 1.00 15.33 N ATOM 0 H HIS A 41 10.573 2.025 7.441 1.00 10.22 H new ATOM 0 HA HIS A 41 10.639 3.345 9.190 1.00 14.42 H new ATOM 0 HB2 HIS A 41 13.334 4.276 8.119 1.00 12.40 H new ATOM 0 HB3 HIS A 41 12.678 4.776 9.665 1.00 12.40 H new ATOM 0 HD2 HIS A 41 11.708 1.271 9.794 1.00 23.25 H new ATOM 0 HE1 HIS A 41 15.800 1.164 10.886 1.00 62.02 H new ATOM 0 HE2 HIS A 41 13.618 -0.139 10.870 1.00 15.33 H new ATOM 716 N LYS A 42 10.152 5.199 6.774 1.00 4.34 N ATOM 717 CA LYS A 42 9.595 6.433 6.259 1.00 53.32 C ATOM 718 C LYS A 42 8.172 6.650 6.778 1.00 2.30 C ATOM 719 O LYS A 42 7.312 5.774 6.649 1.00 61.45 O ATOM 720 CB LYS A 42 9.622 6.372 4.733 1.00 70.01 C ATOM 721 CG LYS A 42 9.513 7.717 4.048 1.00 50.53 C ATOM 722 CD LYS A 42 10.126 7.658 2.667 1.00 62.41 C ATOM 723 CE LYS A 42 10.145 9.018 2.012 1.00 40.40 C ATOM 724 NZ LYS A 42 11.037 9.974 2.721 1.00 12.13 N ATOM 0 H LYS A 42 10.097 4.413 6.126 1.00 4.34 H new ATOM 0 HA LYS A 42 10.190 7.279 6.602 1.00 53.32 H new ATOM 0 HB2 LYS A 42 10.549 5.892 4.418 1.00 70.01 H new ATOM 0 HB3 LYS A 42 8.803 5.738 4.393 1.00 70.01 H new ATOM 0 HG2 LYS A 42 8.466 8.011 3.975 1.00 50.53 H new ATOM 0 HG3 LYS A 42 10.017 8.478 4.644 1.00 50.53 H new ATOM 0 HD2 LYS A 42 11.143 7.272 2.735 1.00 62.41 H new ATOM 0 HD3 LYS A 42 9.562 6.962 2.047 1.00 62.41 H new ATOM 0 HE2 LYS A 42 10.474 8.916 0.978 1.00 40.40 H new ATOM 0 HE3 LYS A 42 9.132 9.420 1.986 1.00 40.40 H new ATOM 0 HZ1 LYS A 42 11.566 10.537 2.025 1.00 12.13 H new ATOM 0 HZ2 LYS A 42 10.465 10.607 3.316 1.00 12.13 H new ATOM 0 HZ3 LYS A 42 11.705 9.447 3.319 1.00 12.13 H new ATOM 738 N LEU A 43 7.945 7.812 7.388 1.00 75.32 N ATOM 739 CA LEU A 43 6.628 8.184 7.901 1.00 42.41 C ATOM 740 C LEU A 43 5.612 8.252 6.768 1.00 34.33 C ATOM 741 O LEU A 43 5.960 8.604 5.642 1.00 24.01 O ATOM 742 CB LEU A 43 6.692 9.543 8.606 1.00 11.51 C ATOM 743 CG LEU A 43 7.462 9.571 9.927 1.00 41.20 C ATOM 744 CD1 LEU A 43 7.727 11.004 10.358 1.00 34.04 C ATOM 745 CD2 LEU A 43 6.680 8.848 11.009 1.00 64.32 C ATOM 0 H LEU A 43 8.665 8.519 7.540 1.00 75.32 H new ATOM 0 HA LEU A 43 6.317 7.422 8.616 1.00 42.41 H new ATOM 0 HB2 LEU A 43 7.148 10.263 7.926 1.00 11.51 H new ATOM 0 HB3 LEU A 43 5.673 9.882 8.794 1.00 11.51 H new ATOM 0 HG LEU A 43 8.416 9.065 9.777 1.00 41.20 H new ATOM 0 HD11 LEU A 43 8.276 11.005 11.300 1.00 34.04 H new ATOM 0 HD12 LEU A 43 8.317 11.511 9.594 1.00 34.04 H new ATOM 0 HD13 LEU A 43 6.779 11.526 10.490 1.00 34.04 H new ATOM 0 HD21 LEU A 43 7.241 8.876 11.943 1.00 64.32 H new ATOM 0 HD22 LEU A 43 5.716 9.337 11.149 1.00 64.32 H new ATOM 0 HD23 LEU A 43 6.521 7.811 10.712 1.00 64.32 H new ATOM 757 N LEU A 44 4.357 7.946 7.073 1.00 31.21 N ATOM 758 CA LEU A 44 3.316 7.915 6.049 1.00 64.02 C ATOM 759 C LEU A 44 3.042 9.317 5.501 1.00 43.33 C ATOM 760 O LEU A 44 2.657 9.478 4.347 1.00 55.21 O ATOM 761 CB LEU A 44 2.020 7.286 6.588 1.00 41.52 C ATOM 762 CG LEU A 44 1.163 8.166 7.505 1.00 63.10 C ATOM 763 CD1 LEU A 44 -0.228 7.574 7.637 1.00 23.43 C ATOM 764 CD2 LEU A 44 1.801 8.316 8.877 1.00 10.40 C ATOM 0 H LEU A 44 4.035 7.717 8.013 1.00 31.21 H new ATOM 0 HA LEU A 44 3.680 7.292 5.232 1.00 64.02 H new ATOM 0 HB2 LEU A 44 1.409 6.982 5.738 1.00 41.52 H new ATOM 0 HB3 LEU A 44 2.282 6.379 7.133 1.00 41.52 H new ATOM 0 HG LEU A 44 1.092 9.157 7.057 1.00 63.10 H new ATOM 0 HD11 LEU A 44 -0.831 8.205 8.290 1.00 23.43 H new ATOM 0 HD12 LEU A 44 -0.695 7.519 6.654 1.00 23.43 H new ATOM 0 HD13 LEU A 44 -0.158 6.573 8.062 1.00 23.43 H new ATOM 0 HD21 LEU A 44 1.170 8.945 9.505 1.00 10.40 H new ATOM 0 HD22 LEU A 44 1.907 7.334 9.338 1.00 10.40 H new ATOM 0 HD23 LEU A 44 2.784 8.776 8.773 1.00 10.40 H new ATOM 776 N LYS A 45 3.258 10.329 6.330 1.00 73.22 N ATOM 777 CA LYS A 45 3.090 11.713 5.903 1.00 2.52 C ATOM 778 C LYS A 45 4.327 12.181 5.144 1.00 64.15 C ATOM 779 O LYS A 45 4.308 13.201 4.453 1.00 24.44 O ATOM 780 CB LYS A 45 2.879 12.625 7.111 1.00 55.02 C ATOM 781 CG LYS A 45 4.108 12.727 7.998 1.00 73.31 C ATOM 782 CD LYS A 45 3.969 13.818 9.041 1.00 31.34 C ATOM 783 CE LYS A 45 5.283 14.044 9.767 1.00 41.13 C ATOM 784 NZ LYS A 45 6.231 14.872 8.976 1.00 44.21 N ATOM 0 H LYS A 45 3.550 10.219 7.301 1.00 73.22 H new ATOM 0 HA LYS A 45 2.216 11.763 5.254 1.00 2.52 H new ATOM 0 HB2 LYS A 45 2.604 13.621 6.764 1.00 55.02 H new ATOM 0 HB3 LYS A 45 2.042 12.251 7.700 1.00 55.02 H new ATOM 0 HG2 LYS A 45 4.277 11.771 8.494 1.00 73.31 H new ATOM 0 HG3 LYS A 45 4.984 12.925 7.381 1.00 73.31 H new ATOM 0 HD2 LYS A 45 3.649 14.744 8.564 1.00 31.34 H new ATOM 0 HD3 LYS A 45 3.195 13.545 9.758 1.00 31.34 H new ATOM 0 HE2 LYS A 45 5.088 14.532 10.722 1.00 41.13 H new ATOM 0 HE3 LYS A 45 5.743 13.081 9.989 1.00 41.13 H new ATOM 0 HZ1 LYS A 45 7.113 14.999 9.513 1.00 44.21 H new ATOM 0 HZ2 LYS A 45 6.439 14.396 8.075 1.00 44.21 H new ATOM 0 HZ3 LYS A 45 5.805 15.802 8.786 1.00 44.21 H new ATOM 798 N ASP A 46 5.405 11.424 5.291 1.00 12.43 N ATOM 799 CA ASP A 46 6.698 11.805 4.741 1.00 64.41 C ATOM 800 C ASP A 46 6.902 11.145 3.379 1.00 40.44 C ATOM 801 O ASP A 46 7.893 11.391 2.688 1.00 25.13 O ATOM 802 CB ASP A 46 7.814 11.405 5.715 1.00 3.34 C ATOM 803 CG ASP A 46 9.179 11.913 5.297 1.00 74.12 C ATOM 804 OD1 ASP A 46 9.421 13.133 5.411 1.00 20.11 O ATOM 805 OD2 ASP A 46 10.018 11.096 4.872 1.00 41.24 O ATOM 0 H ASP A 46 5.409 10.535 5.791 1.00 12.43 H new ATOM 0 HA ASP A 46 6.729 12.886 4.604 1.00 64.41 H new ATOM 0 HB2 ASP A 46 7.578 11.790 6.707 1.00 3.34 H new ATOM 0 HB3 ASP A 46 7.846 10.318 5.795 1.00 3.34 H new ATOM 810 N ILE A 47 5.940 10.312 3.001 1.00 13.21 N ATOM 811 CA ILE A 47 5.981 9.600 1.731 1.00 52.11 C ATOM 812 C ILE A 47 5.997 10.579 0.561 1.00 4.42 C ATOM 813 O ILE A 47 5.075 11.378 0.395 1.00 63.43 O ATOM 814 CB ILE A 47 4.766 8.652 1.574 1.00 63.53 C ATOM 815 CG1 ILE A 47 4.695 7.657 2.738 1.00 55.20 C ATOM 816 CG2 ILE A 47 4.821 7.913 0.243 1.00 44.42 C ATOM 817 CD1 ILE A 47 5.926 6.796 2.889 1.00 3.02 C ATOM 0 H ILE A 47 5.113 10.112 3.564 1.00 13.21 H new ATOM 0 HA ILE A 47 6.896 9.008 1.727 1.00 52.11 H new ATOM 0 HB ILE A 47 3.862 9.261 1.589 1.00 63.53 H new ATOM 0 HG12 ILE A 47 4.535 8.209 3.664 1.00 55.20 H new ATOM 0 HG13 ILE A 47 3.828 7.011 2.598 1.00 55.20 H new ATOM 0 HG21 ILE A 47 3.957 7.254 0.157 1.00 44.42 H new ATOM 0 HG22 ILE A 47 4.810 8.634 -0.574 1.00 44.42 H new ATOM 0 HG23 ILE A 47 5.735 7.321 0.193 1.00 44.42 H new ATOM 0 HD11 ILE A 47 5.796 6.120 3.734 1.00 3.02 H new ATOM 0 HD12 ILE A 47 6.077 6.215 1.979 1.00 3.02 H new ATOM 0 HD13 ILE A 47 6.795 7.431 3.063 1.00 3.02 H new ATOM 829 N LYS A 48 7.059 10.526 -0.229 1.00 1.15 N ATOM 830 CA LYS A 48 7.153 11.333 -1.437 1.00 22.31 C ATOM 831 C LYS A 48 6.105 10.856 -2.435 1.00 2.44 C ATOM 832 O LYS A 48 6.110 9.688 -2.819 1.00 2.10 O ATOM 833 CB LYS A 48 8.553 11.206 -2.053 1.00 0.33 C ATOM 834 CG LYS A 48 9.680 11.531 -1.087 1.00 4.21 C ATOM 835 CD LYS A 48 11.032 10.984 -1.549 1.00 71.31 C ATOM 836 CE LYS A 48 11.566 11.681 -2.798 1.00 44.43 C ATOM 837 NZ LYS A 48 11.126 11.020 -4.058 1.00 15.02 N ATOM 0 H LYS A 48 7.869 9.932 -0.055 1.00 1.15 H new ATOM 0 HA LYS A 48 6.977 12.379 -1.188 1.00 22.31 H new ATOM 0 HB2 LYS A 48 8.686 10.189 -2.423 1.00 0.33 H new ATOM 0 HB3 LYS A 48 8.622 11.870 -2.914 1.00 0.33 H new ATOM 0 HG2 LYS A 48 9.751 12.612 -0.970 1.00 4.21 H new ATOM 0 HG3 LYS A 48 9.442 11.119 -0.106 1.00 4.21 H new ATOM 0 HD2 LYS A 48 11.756 11.093 -0.742 1.00 71.31 H new ATOM 0 HD3 LYS A 48 10.936 9.917 -1.749 1.00 71.31 H new ATOM 0 HE2 LYS A 48 11.232 12.718 -2.801 1.00 44.43 H new ATOM 0 HE3 LYS A 48 12.655 11.697 -2.762 1.00 44.43 H new ATOM 0 HZ1 LYS A 48 11.694 11.375 -4.853 1.00 15.02 H new ATOM 0 HZ2 LYS A 48 11.254 9.991 -3.973 1.00 15.02 H new ATOM 0 HZ3 LYS A 48 10.122 11.231 -4.229 1.00 15.02 H new ATOM 851 N ARG A 49 5.206 11.740 -2.844 1.00 25.54 N ATOM 852 CA ARG A 49 4.153 11.349 -3.774 1.00 54.04 C ATOM 853 C ARG A 49 4.748 11.027 -5.142 1.00 12.15 C ATOM 854 O ARG A 49 4.209 10.217 -5.895 1.00 71.14 O ATOM 855 CB ARG A 49 3.061 12.422 -3.869 1.00 21.40 C ATOM 856 CG ARG A 49 3.514 13.756 -4.440 1.00 53.42 C ATOM 857 CD ARG A 49 2.402 14.788 -4.339 1.00 21.32 C ATOM 858 NE ARG A 49 2.703 16.023 -5.063 1.00 21.41 N ATOM 859 CZ ARG A 49 2.456 17.243 -4.585 1.00 72.33 C ATOM 860 NH1 ARG A 49 2.051 17.396 -3.329 1.00 34.24 N ATOM 861 NH2 ARG A 49 2.633 18.311 -5.352 1.00 42.44 N ATOM 0 H ARG A 49 5.182 12.717 -2.553 1.00 25.54 H new ATOM 0 HA ARG A 49 3.676 10.447 -3.392 1.00 54.04 H new ATOM 0 HB2 ARG A 49 2.249 12.038 -4.486 1.00 21.40 H new ATOM 0 HB3 ARG A 49 2.652 12.591 -2.873 1.00 21.40 H new ATOM 0 HG2 ARG A 49 4.394 14.108 -3.901 1.00 53.42 H new ATOM 0 HG3 ARG A 49 3.807 13.631 -5.482 1.00 53.42 H new ATOM 0 HD2 ARG A 49 1.479 14.360 -4.730 1.00 21.32 H new ATOM 0 HD3 ARG A 49 2.225 15.022 -3.289 1.00 21.32 H new ATOM 0 HE ARG A 49 3.127 15.946 -5.988 1.00 21.41 H new ATOM 0 HH11 ARG A 49 1.929 16.580 -2.730 1.00 34.24 H new ATOM 0 HH12 ARG A 49 1.862 18.330 -2.964 1.00 34.24 H new ATOM 0 HH21 ARG A 49 2.959 18.201 -6.312 1.00 42.44 H new ATOM 0 HH22 ARG A 49 2.443 19.242 -4.982 1.00 42.44 H new ATOM 875 N THR A 50 5.883 11.646 -5.441 1.00 4.10 N ATOM 876 CA THR A 50 6.644 11.311 -6.634 1.00 11.33 C ATOM 877 C THR A 50 7.287 9.935 -6.487 1.00 33.13 C ATOM 878 O THR A 50 7.415 9.189 -7.456 1.00 71.21 O ATOM 879 CB THR A 50 7.730 12.364 -6.902 1.00 55.14 C ATOM 880 OG1 THR A 50 8.222 12.874 -5.654 1.00 52.45 O ATOM 881 CG2 THR A 50 7.188 13.504 -7.748 1.00 31.12 C ATOM 0 H THR A 50 6.296 12.384 -4.871 1.00 4.10 H new ATOM 0 HA THR A 50 5.955 11.295 -7.479 1.00 11.33 H new ATOM 0 HB THR A 50 8.543 11.890 -7.452 1.00 55.14 H new ATOM 0 HG1 THR A 50 8.916 13.544 -5.825 1.00 52.45 H new ATOM 0 HG21 THR A 50 7.978 14.235 -7.922 1.00 31.12 H new ATOM 0 HG22 THR A 50 6.838 13.113 -8.703 1.00 31.12 H new ATOM 0 HG23 THR A 50 6.359 13.983 -7.226 1.00 31.12 H new ATOM 889 N GLU A 51 7.665 9.600 -5.256 1.00 32.12 N ATOM 890 CA GLU A 51 8.257 8.303 -4.955 1.00 40.10 C ATOM 891 C GLU A 51 7.188 7.229 -5.061 1.00 75.22 C ATOM 892 O GLU A 51 7.444 6.127 -5.533 1.00 31.23 O ATOM 893 CB GLU A 51 8.843 8.298 -3.543 1.00 30.33 C ATOM 894 CG GLU A 51 9.821 7.168 -3.274 1.00 74.44 C ATOM 895 CD GLU A 51 11.146 7.391 -3.965 1.00 24.44 C ATOM 896 OE1 GLU A 51 11.799 8.413 -3.669 1.00 41.42 O ATOM 897 OE2 GLU A 51 11.544 6.548 -4.795 1.00 13.54 O ATOM 0 H GLU A 51 7.570 10.214 -4.447 1.00 32.12 H new ATOM 0 HA GLU A 51 9.057 8.105 -5.668 1.00 40.10 H new ATOM 0 HB2 GLU A 51 9.348 9.248 -3.369 1.00 30.33 H new ATOM 0 HB3 GLU A 51 8.026 8.234 -2.824 1.00 30.33 H new ATOM 0 HG2 GLU A 51 9.983 7.076 -2.200 1.00 74.44 H new ATOM 0 HG3 GLU A 51 9.389 6.226 -3.613 1.00 74.44 H new ATOM 904 N TYR A 52 5.987 7.570 -4.608 1.00 51.33 N ATOM 905 CA TYR A 52 4.841 6.680 -4.704 1.00 43.24 C ATOM 906 C TYR A 52 4.496 6.431 -6.165 1.00 23.34 C ATOM 907 O TYR A 52 4.223 5.299 -6.568 1.00 73.03 O ATOM 908 CB TYR A 52 3.644 7.286 -3.966 1.00 52.42 C ATOM 909 CG TYR A 52 2.415 6.408 -3.962 1.00 4.25 C ATOM 910 CD1 TYR A 52 2.464 5.124 -3.436 1.00 73.32 C ATOM 911 CD2 TYR A 52 1.208 6.862 -4.479 1.00 31.51 C ATOM 912 CE1 TYR A 52 1.346 4.317 -3.428 1.00 75.11 C ATOM 913 CE2 TYR A 52 0.082 6.059 -4.468 1.00 61.24 C ATOM 914 CZ TYR A 52 0.158 4.788 -3.942 1.00 53.21 C ATOM 915 OH TYR A 52 -0.960 3.987 -3.924 1.00 4.34 O ATOM 0 H TYR A 52 5.783 8.467 -4.167 1.00 51.33 H new ATOM 0 HA TYR A 52 5.090 5.726 -4.238 1.00 43.24 H new ATOM 0 HB2 TYR A 52 3.933 7.494 -2.936 1.00 52.42 H new ATOM 0 HB3 TYR A 52 3.393 8.242 -4.425 1.00 52.42 H new ATOM 0 HD1 TYR A 52 3.392 4.752 -3.027 1.00 73.32 H new ATOM 0 HD2 TYR A 52 1.148 7.857 -4.896 1.00 31.51 H new ATOM 0 HE1 TYR A 52 1.402 3.319 -3.020 1.00 75.11 H new ATOM 0 HE2 TYR A 52 -0.851 6.426 -4.869 1.00 61.24 H new ATOM 0 HH TYR A 52 -1.438 4.073 -4.775 1.00 4.34 H new ATOM 925 N GLN A 53 4.519 7.498 -6.955 1.00 21.44 N ATOM 926 CA GLN A 53 4.318 7.395 -8.395 1.00 35.03 C ATOM 927 C GLN A 53 5.385 6.482 -9.004 1.00 21.41 C ATOM 928 O GLN A 53 5.068 5.553 -9.747 1.00 30.25 O ATOM 929 CB GLN A 53 4.369 8.789 -9.034 1.00 44.43 C ATOM 930 CG GLN A 53 3.432 8.973 -10.226 1.00 41.41 C ATOM 931 CD GLN A 53 3.791 8.109 -11.417 1.00 73.52 C ATOM 932 OE1 GLN A 53 4.576 8.509 -12.275 1.00 72.00 O ATOM 933 NE2 GLN A 53 3.209 6.923 -11.486 1.00 42.31 N ATOM 0 H GLN A 53 4.676 8.449 -6.620 1.00 21.44 H new ATOM 0 HA GLN A 53 3.337 6.963 -8.591 1.00 35.03 H new ATOM 0 HB2 GLN A 53 4.122 9.532 -8.276 1.00 44.43 H new ATOM 0 HB3 GLN A 53 5.391 8.990 -9.356 1.00 44.43 H new ATOM 0 HG2 GLN A 53 2.413 8.744 -9.915 1.00 41.41 H new ATOM 0 HG3 GLN A 53 3.445 10.020 -10.530 1.00 41.41 H new ATOM 0 HE21 GLN A 53 2.563 6.628 -10.753 1.00 42.31 H new ATOM 0 HE22 GLN A 53 3.406 6.303 -12.272 1.00 42.31 H new ATOM 942 N LYS A 54 6.645 6.740 -8.661 1.00 51.32 N ATOM 943 CA LYS A 54 7.763 5.911 -9.118 1.00 42.24 C ATOM 944 C LYS A 54 7.582 4.460 -8.687 1.00 5.23 C ATOM 945 O LYS A 54 7.834 3.535 -9.462 1.00 23.35 O ATOM 946 CB LYS A 54 9.085 6.454 -8.570 1.00 43.00 C ATOM 947 CG LYS A 54 9.861 7.317 -9.554 1.00 41.41 C ATOM 948 CD LYS A 54 9.015 8.443 -10.124 1.00 24.00 C ATOM 949 CE LYS A 54 9.815 9.298 -11.091 1.00 24.45 C ATOM 950 NZ LYS A 54 10.447 8.479 -12.162 1.00 22.30 N ATOM 0 H LYS A 54 6.920 7.521 -8.065 1.00 51.32 H new ATOM 0 HA LYS A 54 7.784 5.947 -10.207 1.00 42.24 H new ATOM 0 HB2 LYS A 54 8.881 7.039 -7.673 1.00 43.00 H new ATOM 0 HB3 LYS A 54 9.712 5.615 -8.267 1.00 43.00 H new ATOM 0 HG2 LYS A 54 10.734 7.738 -9.055 1.00 41.41 H new ATOM 0 HG3 LYS A 54 10.229 6.694 -10.369 1.00 41.41 H new ATOM 0 HD2 LYS A 54 8.148 8.026 -10.636 1.00 24.00 H new ATOM 0 HD3 LYS A 54 8.638 9.064 -9.312 1.00 24.00 H new ATOM 0 HE2 LYS A 54 9.161 10.044 -11.542 1.00 24.45 H new ATOM 0 HE3 LYS A 54 10.587 9.839 -10.544 1.00 24.45 H new ATOM 0 HZ1 LYS A 54 10.749 9.099 -12.940 1.00 22.30 H new ATOM 0 HZ2 LYS A 54 11.274 7.981 -11.776 1.00 22.30 H new ATOM 0 HZ3 LYS A 54 9.760 7.785 -12.519 1.00 22.30 H new ATOM 964 N PHE A 55 7.149 4.280 -7.448 1.00 72.31 N ATOM 965 CA PHE A 55 6.865 2.964 -6.896 1.00 11.11 C ATOM 966 C PHE A 55 5.845 2.222 -7.757 1.00 45.24 C ATOM 967 O PHE A 55 6.034 1.051 -8.092 1.00 14.53 O ATOM 968 CB PHE A 55 6.346 3.123 -5.462 1.00 1.34 C ATOM 969 CG PHE A 55 5.837 1.858 -4.840 1.00 61.24 C ATOM 970 CD1 PHE A 55 6.710 0.857 -4.451 1.00 3.21 C ATOM 971 CD2 PHE A 55 4.478 1.671 -4.645 1.00 42.31 C ATOM 972 CE1 PHE A 55 6.239 -0.306 -3.878 1.00 21.33 C ATOM 973 CE2 PHE A 55 4.000 0.509 -4.072 1.00 60.30 C ATOM 974 CZ PHE A 55 4.882 -0.481 -3.688 1.00 65.34 C ATOM 0 H PHE A 55 6.984 5.046 -6.795 1.00 72.31 H new ATOM 0 HA PHE A 55 7.781 2.374 -6.887 1.00 11.11 H new ATOM 0 HB2 PHE A 55 7.149 3.521 -4.841 1.00 1.34 H new ATOM 0 HB3 PHE A 55 5.545 3.862 -5.459 1.00 1.34 H new ATOM 0 HD1 PHE A 55 7.772 0.988 -4.598 1.00 3.21 H new ATOM 0 HD2 PHE A 55 3.785 2.443 -4.945 1.00 42.31 H new ATOM 0 HE1 PHE A 55 6.931 -1.079 -3.578 1.00 21.33 H new ATOM 0 HE2 PHE A 55 2.939 0.375 -3.925 1.00 60.30 H new ATOM 0 HZ PHE A 55 4.512 -1.391 -3.240 1.00 65.34 H new ATOM 984 N LEU A 56 4.775 2.918 -8.121 1.00 74.13 N ATOM 985 CA LEU A 56 3.724 2.336 -8.948 1.00 43.34 C ATOM 986 C LEU A 56 4.247 1.993 -10.336 1.00 4.30 C ATOM 987 O LEU A 56 3.945 0.928 -10.869 1.00 35.14 O ATOM 988 CB LEU A 56 2.535 3.294 -9.058 1.00 62.01 C ATOM 989 CG LEU A 56 1.798 3.566 -7.746 1.00 32.42 C ATOM 990 CD1 LEU A 56 0.676 4.567 -7.967 1.00 50.14 C ATOM 991 CD2 LEU A 56 1.248 2.272 -7.166 1.00 52.13 C ATOM 0 H LEU A 56 4.612 3.889 -7.856 1.00 74.13 H new ATOM 0 HA LEU A 56 3.393 1.415 -8.468 1.00 43.34 H new ATOM 0 HB2 LEU A 56 2.889 4.243 -9.461 1.00 62.01 H new ATOM 0 HB3 LEU A 56 1.825 2.886 -9.778 1.00 62.01 H new ATOM 0 HG LEU A 56 2.506 3.990 -7.034 1.00 32.42 H new ATOM 0 HD11 LEU A 56 0.161 4.750 -7.024 1.00 50.14 H new ATOM 0 HD12 LEU A 56 1.092 5.503 -8.341 1.00 50.14 H new ATOM 0 HD13 LEU A 56 -0.030 4.167 -8.695 1.00 50.14 H new ATOM 0 HD21 LEU A 56 0.727 2.484 -6.233 1.00 52.13 H new ATOM 0 HD22 LEU A 56 0.554 1.822 -7.875 1.00 52.13 H new ATOM 0 HD23 LEU A 56 2.069 1.581 -6.974 1.00 52.13 H new ATOM 1003 N ASN A 57 5.042 2.888 -10.912 1.00 54.20 N ATOM 1004 CA ASN A 57 5.574 2.678 -12.256 1.00 34.34 C ATOM 1005 C ASN A 57 6.428 1.419 -12.318 1.00 14.11 C ATOM 1006 O ASN A 57 6.255 0.591 -13.212 1.00 52.42 O ATOM 1007 CB ASN A 57 6.388 3.886 -12.729 1.00 71.34 C ATOM 1008 CG ASN A 57 5.533 5.119 -12.937 1.00 70.41 C ATOM 1009 OD1 ASN A 57 4.336 5.025 -13.220 1.00 22.52 O ATOM 1010 ND2 ASN A 57 6.141 6.288 -12.813 1.00 12.24 N ATOM 0 H ASN A 57 5.332 3.762 -10.473 1.00 54.20 H new ATOM 0 HA ASN A 57 4.722 2.554 -12.924 1.00 34.34 H new ATOM 0 HB2 ASN A 57 7.164 4.106 -11.996 1.00 71.34 H new ATOM 0 HB3 ASN A 57 6.893 3.637 -13.662 1.00 71.34 H new ATOM 0 HD21 ASN A 57 5.618 7.152 -12.953 1.00 12.24 H new ATOM 0 HD22 ASN A 57 7.133 6.325 -12.578 1.00 12.24 H new ATOM 1017 N GLU A 58 7.332 1.264 -11.355 1.00 61.20 N ATOM 1018 CA GLU A 58 8.187 0.082 -11.296 1.00 62.50 C ATOM 1019 C GLU A 58 7.343 -1.173 -11.108 1.00 21.52 C ATOM 1020 O GLU A 58 7.650 -2.234 -11.658 1.00 72.22 O ATOM 1021 CB GLU A 58 9.195 0.194 -10.150 1.00 61.13 C ATOM 1022 CG GLU A 58 10.169 1.353 -10.291 1.00 45.51 C ATOM 1023 CD GLU A 58 10.975 1.292 -11.573 1.00 75.03 C ATOM 1024 OE1 GLU A 58 11.552 0.225 -11.870 1.00 11.23 O ATOM 1025 OE2 GLU A 58 11.042 2.315 -12.285 1.00 74.11 O ATOM 0 H GLU A 58 7.491 1.939 -10.607 1.00 61.20 H new ATOM 0 HA GLU A 58 8.731 0.015 -12.238 1.00 62.50 H new ATOM 0 HB2 GLU A 58 8.651 0.302 -9.212 1.00 61.13 H new ATOM 0 HB3 GLU A 58 9.760 -0.736 -10.085 1.00 61.13 H new ATOM 0 HG2 GLU A 58 9.616 2.292 -10.260 1.00 45.51 H new ATOM 0 HG3 GLU A 58 10.849 1.355 -9.439 1.00 45.51 H new ATOM 1032 N TYR A 59 6.271 -1.037 -10.337 1.00 14.53 N ATOM 1033 CA TYR A 59 5.373 -2.151 -10.063 1.00 61.41 C ATOM 1034 C TYR A 59 4.608 -2.542 -11.328 1.00 21.34 C ATOM 1035 O TYR A 59 4.469 -3.723 -11.639 1.00 1.42 O ATOM 1036 CB TYR A 59 4.399 -1.772 -8.943 1.00 45.12 C ATOM 1037 CG TYR A 59 3.645 -2.941 -8.345 1.00 62.32 C ATOM 1038 CD1 TYR A 59 2.459 -3.394 -8.910 1.00 52.20 C ATOM 1039 CD2 TYR A 59 4.120 -3.591 -7.211 1.00 63.52 C ATOM 1040 CE1 TYR A 59 1.770 -4.458 -8.363 1.00 71.50 C ATOM 1041 CE2 TYR A 59 3.434 -4.656 -6.662 1.00 12.42 C ATOM 1042 CZ TYR A 59 2.262 -5.085 -7.239 1.00 74.12 C ATOM 1043 OH TYR A 59 1.581 -6.147 -6.695 1.00 2.31 O ATOM 0 H TYR A 59 6.002 -0.161 -9.889 1.00 14.53 H new ATOM 0 HA TYR A 59 5.963 -3.009 -9.741 1.00 61.41 H new ATOM 0 HB2 TYR A 59 4.954 -1.270 -8.150 1.00 45.12 H new ATOM 0 HB3 TYR A 59 3.679 -1.053 -9.333 1.00 45.12 H new ATOM 0 HD1 TYR A 59 2.070 -2.906 -9.791 1.00 52.20 H new ATOM 0 HD2 TYR A 59 5.039 -3.258 -6.753 1.00 63.52 H new ATOM 0 HE1 TYR A 59 0.849 -4.797 -8.814 1.00 71.50 H new ATOM 0 HE2 TYR A 59 3.817 -5.151 -5.782 1.00 12.42 H new ATOM 0 HH TYR A 59 1.898 -6.981 -7.100 1.00 2.31 H new ATOM 1053 N GLY A 60 4.145 -1.538 -12.065 1.00 71.34 N ATOM 1054 CA GLY A 60 3.389 -1.779 -13.282 1.00 2.15 C ATOM 1055 C GLY A 60 4.252 -2.270 -14.428 1.00 50.02 C ATOM 1056 O GLY A 60 3.739 -2.696 -15.464 1.00 74.44 O ATOM 0 H GLY A 60 4.281 -0.553 -11.839 1.00 71.34 H new ATOM 0 HA2 GLY A 60 2.610 -2.514 -13.080 1.00 2.15 H new ATOM 0 HA3 GLY A 60 2.888 -0.858 -13.580 1.00 2.15 H new ATOM 1060 N LEU A 61 5.565 -2.197 -14.253 1.00 1.51 N ATOM 1061 CA LEU A 61 6.499 -2.704 -15.248 1.00 5.10 C ATOM 1062 C LEU A 61 6.790 -4.181 -15.009 1.00 4.21 C ATOM 1063 O LEU A 61 7.337 -4.864 -15.876 1.00 55.21 O ATOM 1064 CB LEU A 61 7.809 -1.910 -15.210 1.00 4.40 C ATOM 1065 CG LEU A 61 7.704 -0.447 -15.648 1.00 32.43 C ATOM 1066 CD1 LEU A 61 9.031 0.266 -15.441 1.00 22.11 C ATOM 1067 CD2 LEU A 61 7.277 -0.358 -17.103 1.00 33.31 C ATOM 0 H LEU A 61 6.008 -1.790 -13.429 1.00 1.51 H new ATOM 0 HA LEU A 61 6.040 -2.588 -16.230 1.00 5.10 H new ATOM 0 HB2 LEU A 61 8.203 -1.940 -14.194 1.00 4.40 H new ATOM 0 HB3 LEU A 61 8.536 -2.411 -15.849 1.00 4.40 H new ATOM 0 HG LEU A 61 6.948 0.043 -15.035 1.00 32.43 H new ATOM 0 HD11 LEU A 61 8.939 1.305 -15.757 1.00 22.11 H new ATOM 0 HD12 LEU A 61 9.302 0.231 -14.386 1.00 22.11 H new ATOM 0 HD13 LEU A 61 9.804 -0.226 -16.031 1.00 22.11 H new ATOM 0 HD21 LEU A 61 7.207 0.689 -17.398 1.00 33.31 H new ATOM 0 HD22 LEU A 61 8.012 -0.864 -17.729 1.00 33.31 H new ATOM 0 HD23 LEU A 61 6.305 -0.835 -17.227 1.00 33.31 H new ATOM 1079 N THR A 62 6.418 -4.671 -13.834 1.00 64.52 N ATOM 1080 CA THR A 62 6.729 -6.040 -13.451 1.00 3.03 C ATOM 1081 C THR A 62 5.491 -6.802 -12.968 1.00 22.41 C ATOM 1082 O THR A 62 5.599 -7.917 -12.455 1.00 65.12 O ATOM 1083 CB THR A 62 7.810 -6.055 -12.354 1.00 61.13 C ATOM 1084 OG1 THR A 62 7.543 -5.025 -11.390 1.00 21.03 O ATOM 1085 CG2 THR A 62 9.194 -5.851 -12.951 1.00 2.22 C ATOM 0 H THR A 62 5.902 -4.142 -13.132 1.00 64.52 H new ATOM 0 HA THR A 62 7.102 -6.545 -14.342 1.00 3.03 H new ATOM 0 HB THR A 62 7.785 -7.028 -11.864 1.00 61.13 H new ATOM 0 HG1 THR A 62 7.765 -4.151 -11.775 1.00 21.03 H new ATOM 0 HG21 THR A 62 9.939 -5.866 -12.156 1.00 2.22 H new ATOM 0 HG22 THR A 62 9.405 -6.650 -13.661 1.00 2.22 H new ATOM 0 HG23 THR A 62 9.231 -4.890 -13.465 1.00 2.22 H new ATOM 1093 N HIS A 63 4.321 -6.199 -13.141 1.00 52.02 N ATOM 1094 CA HIS A 63 3.060 -6.823 -12.750 1.00 54.15 C ATOM 1095 C HIS A 63 1.942 -6.402 -13.694 1.00 70.42 C ATOM 1096 O HIS A 63 2.148 -5.569 -14.574 1.00 71.12 O ATOM 1097 CB HIS A 63 2.689 -6.460 -11.307 1.00 55.13 C ATOM 1098 CG HIS A 63 3.387 -7.298 -10.279 1.00 74.25 C ATOM 1099 ND1 HIS A 63 4.418 -6.834 -9.490 1.00 22.25 N ATOM 1100 CD2 HIS A 63 3.187 -8.584 -9.907 1.00 21.23 C ATOM 1101 CE1 HIS A 63 4.819 -7.798 -8.685 1.00 12.44 C ATOM 1102 NE2 HIS A 63 4.091 -8.871 -8.916 1.00 63.44 N ATOM 0 H HIS A 63 4.218 -5.271 -13.553 1.00 52.02 H new ATOM 0 HA HIS A 63 3.189 -7.904 -12.811 1.00 54.15 H new ATOM 0 HB2 HIS A 63 2.928 -5.411 -11.132 1.00 55.13 H new ATOM 0 HB3 HIS A 63 1.612 -6.567 -11.180 1.00 55.13 H new ATOM 0 HD2 HIS A 63 2.451 -9.260 -10.316 1.00 21.23 H new ATOM 0 HE1 HIS A 63 5.613 -7.721 -7.957 1.00 12.44 H new ATOM 0 HE2 HIS A 63 4.184 -9.767 -8.437 1.00 63.44 H new ATOM 1111 N SER A 64 0.764 -6.978 -13.507 1.00 72.34 N ATOM 1112 CA SER A 64 -0.376 -6.676 -14.356 1.00 20.21 C ATOM 1113 C SER A 64 -1.152 -5.475 -13.809 1.00 74.31 C ATOM 1114 O SER A 64 -0.914 -5.030 -12.681 1.00 73.33 O ATOM 1115 CB SER A 64 -1.289 -7.903 -14.460 1.00 45.34 C ATOM 1116 OG SER A 64 -2.340 -7.694 -15.391 1.00 0.22 O ATOM 0 H SER A 64 0.573 -7.659 -12.772 1.00 72.34 H new ATOM 0 HA SER A 64 -0.014 -6.421 -15.352 1.00 20.21 H new ATOM 0 HB2 SER A 64 -0.701 -8.770 -14.762 1.00 45.34 H new ATOM 0 HB3 SER A 64 -1.710 -8.129 -13.480 1.00 45.34 H new ATOM 0 HG SER A 64 -2.902 -8.495 -15.435 1.00 0.22 H new ATOM 1122 N TYR A 65 -2.091 -4.967 -14.604 1.00 51.23 N ATOM 1123 CA TYR A 65 -2.879 -3.801 -14.220 1.00 60.41 C ATOM 1124 C TYR A 65 -3.743 -4.100 -13.001 1.00 21.21 C ATOM 1125 O TYR A 65 -3.857 -3.279 -12.095 1.00 71.44 O ATOM 1126 CB TYR A 65 -3.760 -3.333 -15.382 1.00 54.53 C ATOM 1127 CG TYR A 65 -4.711 -2.221 -14.999 1.00 12.24 C ATOM 1128 CD1 TYR A 65 -4.250 -0.926 -14.785 1.00 43.44 C ATOM 1129 CD2 TYR A 65 -6.068 -2.472 -14.840 1.00 43.32 C ATOM 1130 CE1 TYR A 65 -5.118 0.088 -14.425 1.00 54.41 C ATOM 1131 CE2 TYR A 65 -6.940 -1.463 -14.481 1.00 72.40 C ATOM 1132 CZ TYR A 65 -6.462 -0.186 -14.274 1.00 2.53 C ATOM 1133 OH TYR A 65 -7.331 0.820 -13.916 1.00 31.34 O ATOM 0 H TYR A 65 -2.324 -5.347 -15.521 1.00 51.23 H new ATOM 0 HA TYR A 65 -2.182 -3.003 -13.963 1.00 60.41 H new ATOM 0 HB2 TYR A 65 -3.123 -2.992 -16.198 1.00 54.53 H new ATOM 0 HB3 TYR A 65 -4.334 -4.180 -15.758 1.00 54.53 H new ATOM 0 HD1 TYR A 65 -3.198 -0.710 -14.902 1.00 43.44 H new ATOM 0 HD2 TYR A 65 -6.447 -3.471 -14.999 1.00 43.32 H new ATOM 0 HE1 TYR A 65 -4.746 1.089 -14.263 1.00 54.41 H new ATOM 0 HE2 TYR A 65 -7.993 -1.673 -14.363 1.00 72.40 H new ATOM 0 HH TYR A 65 -8.240 0.460 -13.853 1.00 31.34 H new ATOM 1143 N GLU A 66 -4.350 -5.274 -12.985 1.00 11.23 N ATOM 1144 CA GLU A 66 -5.167 -5.687 -11.856 1.00 34.23 C ATOM 1145 C GLU A 66 -4.337 -5.758 -10.584 1.00 72.23 C ATOM 1146 O GLU A 66 -4.810 -5.411 -9.506 1.00 5.55 O ATOM 1147 CB GLU A 66 -5.822 -7.033 -12.147 1.00 2.11 C ATOM 1148 CG GLU A 66 -7.216 -6.899 -12.727 1.00 75.42 C ATOM 1149 CD GLU A 66 -8.274 -6.750 -11.657 1.00 35.34 C ATOM 1150 OE1 GLU A 66 -8.743 -7.777 -11.133 1.00 42.12 O ATOM 1151 OE2 GLU A 66 -8.648 -5.607 -11.326 1.00 73.05 O ATOM 0 H GLU A 66 -4.293 -5.958 -13.740 1.00 11.23 H new ATOM 0 HA GLU A 66 -5.949 -4.943 -11.705 1.00 34.23 H new ATOM 0 HB2 GLU A 66 -5.197 -7.592 -12.843 1.00 2.11 H new ATOM 0 HB3 GLU A 66 -5.872 -7.614 -11.226 1.00 2.11 H new ATOM 0 HG2 GLU A 66 -7.249 -6.034 -13.390 1.00 75.42 H new ATOM 0 HG3 GLU A 66 -7.439 -7.776 -13.335 1.00 75.42 H new ATOM 1158 N THR A 67 -3.090 -6.173 -10.727 1.00 42.12 N ATOM 1159 CA THR A 67 -2.192 -6.288 -9.597 1.00 11.53 C ATOM 1160 C THR A 67 -1.832 -4.905 -9.048 1.00 22.11 C ATOM 1161 O THR A 67 -1.872 -4.676 -7.838 1.00 72.33 O ATOM 1162 CB THR A 67 -0.907 -7.028 -10.004 1.00 53.41 C ATOM 1163 OG1 THR A 67 -1.211 -8.021 -10.996 1.00 45.42 O ATOM 1164 CG2 THR A 67 -0.265 -7.697 -8.800 1.00 45.44 C ATOM 0 H THR A 67 -2.677 -6.437 -11.622 1.00 42.12 H new ATOM 0 HA THR A 67 -2.702 -6.856 -8.819 1.00 11.53 H new ATOM 0 HB THR A 67 -0.207 -6.300 -10.414 1.00 53.41 H new ATOM 0 HG1 THR A 67 -0.428 -8.593 -11.137 1.00 45.42 H new ATOM 0 HG21 THR A 67 0.642 -8.214 -9.112 1.00 45.44 H new ATOM 0 HG22 THR A 67 -0.014 -6.942 -8.055 1.00 45.44 H new ATOM 0 HG23 THR A 67 -0.962 -8.415 -8.368 1.00 45.44 H new ATOM 1172 N ILE A 68 -1.505 -3.976 -9.947 1.00 45.14 N ATOM 1173 CA ILE A 68 -1.108 -2.632 -9.538 1.00 53.12 C ATOM 1174 C ILE A 68 -2.317 -1.826 -9.048 1.00 61.21 C ATOM 1175 O ILE A 68 -2.199 -1.026 -8.117 1.00 31.31 O ATOM 1176 CB ILE A 68 -0.365 -1.868 -10.670 1.00 63.41 C ATOM 1177 CG1 ILE A 68 0.163 -0.526 -10.152 1.00 1.31 C ATOM 1178 CG2 ILE A 68 -1.264 -1.653 -11.879 1.00 55.34 C ATOM 1179 CD1 ILE A 68 0.893 0.285 -11.199 1.00 11.40 C ATOM 0 H ILE A 68 -1.507 -4.129 -10.955 1.00 45.14 H new ATOM 0 HA ILE A 68 -0.408 -2.748 -8.710 1.00 53.12 H new ATOM 0 HB ILE A 68 0.479 -2.481 -10.987 1.00 63.41 H new ATOM 0 HG12 ILE A 68 -0.673 0.060 -9.769 1.00 1.31 H new ATOM 0 HG13 ILE A 68 0.835 -0.709 -9.313 1.00 1.31 H new ATOM 0 HG21 ILE A 68 -0.713 -1.116 -12.651 1.00 55.34 H new ATOM 0 HG22 ILE A 68 -1.587 -2.618 -12.268 1.00 55.34 H new ATOM 0 HG23 ILE A 68 -2.137 -1.070 -11.584 1.00 55.34 H new ATOM 0 HD11 ILE A 68 1.238 1.221 -10.759 1.00 11.40 H new ATOM 0 HD12 ILE A 68 1.750 -0.281 -11.565 1.00 11.40 H new ATOM 0 HD13 ILE A 68 0.219 0.500 -12.028 1.00 11.40 H new ATOM 1191 N ARG A 69 -3.481 -2.050 -9.656 1.00 21.01 N ATOM 1192 CA ARG A 69 -4.694 -1.360 -9.235 1.00 24.31 C ATOM 1193 C ARG A 69 -5.120 -1.845 -7.854 1.00 12.42 C ATOM 1194 O ARG A 69 -5.530 -1.050 -7.011 1.00 31.40 O ATOM 1195 CB ARG A 69 -5.832 -1.565 -10.238 1.00 41.00 C ATOM 1196 CG ARG A 69 -7.034 -0.676 -9.954 1.00 12.23 C ATOM 1197 CD ARG A 69 -8.186 -0.949 -10.904 1.00 20.53 C ATOM 1198 NE ARG A 69 -8.703 -2.309 -10.768 1.00 41.30 N ATOM 1199 CZ ARG A 69 -9.605 -2.677 -9.855 1.00 51.01 C ATOM 1200 NH1 ARG A 69 -10.072 -1.800 -8.975 1.00 71.13 N ATOM 1201 NH2 ARG A 69 -10.029 -3.928 -9.824 1.00 12.55 N ATOM 0 H ARG A 69 -3.607 -2.698 -10.434 1.00 21.01 H new ATOM 0 HA ARG A 69 -4.474 -0.293 -9.191 1.00 24.31 H new ATOM 0 HB2 ARG A 69 -5.465 -1.362 -11.244 1.00 41.00 H new ATOM 0 HB3 ARG A 69 -6.145 -2.609 -10.218 1.00 41.00 H new ATOM 0 HG2 ARG A 69 -7.366 -0.834 -8.928 1.00 12.23 H new ATOM 0 HG3 ARG A 69 -6.738 0.370 -10.036 1.00 12.23 H new ATOM 0 HD2 ARG A 69 -8.988 -0.236 -10.714 1.00 20.53 H new ATOM 0 HD3 ARG A 69 -7.854 -0.789 -11.930 1.00 20.53 H new ATOM 0 HE ARG A 69 -8.353 -3.021 -11.410 1.00 41.30 H new ATOM 0 HH11 ARG A 69 -9.742 -0.835 -8.992 1.00 71.13 H new ATOM 0 HH12 ARG A 69 -10.761 -2.091 -8.281 1.00 71.13 H new ATOM 0 HH21 ARG A 69 -9.667 -4.606 -10.495 1.00 12.55 H new ATOM 0 HH22 ARG A 69 -10.718 -4.216 -9.129 1.00 12.55 H new ATOM 1215 N LYS A 70 -5.015 -3.155 -7.631 1.00 13.41 N ATOM 1216 CA LYS A 70 -5.256 -3.728 -6.311 1.00 34.41 C ATOM 1217 C LYS A 70 -4.354 -3.048 -5.285 1.00 23.32 C ATOM 1218 O LYS A 70 -4.822 -2.572 -4.251 1.00 32.24 O ATOM 1219 CB LYS A 70 -4.983 -5.237 -6.319 1.00 54.02 C ATOM 1220 CG LYS A 70 -6.232 -6.112 -6.272 1.00 23.41 C ATOM 1221 CD LYS A 70 -7.126 -5.926 -7.488 1.00 60.44 C ATOM 1222 CE LYS A 70 -8.215 -6.987 -7.531 1.00 62.53 C ATOM 1223 NZ LYS A 70 -9.202 -6.735 -8.611 1.00 51.44 N ATOM 0 H LYS A 70 -4.765 -3.837 -8.347 1.00 13.41 H new ATOM 0 HA LYS A 70 -6.301 -3.565 -6.045 1.00 34.41 H new ATOM 0 HB2 LYS A 70 -4.416 -5.485 -7.216 1.00 54.02 H new ATOM 0 HB3 LYS A 70 -4.352 -5.483 -5.465 1.00 54.02 H new ATOM 0 HG2 LYS A 70 -5.935 -7.158 -6.201 1.00 23.41 H new ATOM 0 HG3 LYS A 70 -6.799 -5.880 -5.371 1.00 23.41 H new ATOM 0 HD2 LYS A 70 -7.579 -4.935 -7.462 1.00 60.44 H new ATOM 0 HD3 LYS A 70 -6.526 -5.979 -8.396 1.00 60.44 H new ATOM 0 HE2 LYS A 70 -7.760 -7.966 -7.679 1.00 62.53 H new ATOM 0 HE3 LYS A 70 -8.730 -7.016 -6.571 1.00 62.53 H new ATOM 0 HZ1 LYS A 70 -10.143 -6.585 -8.194 1.00 51.44 H new ATOM 0 HZ2 LYS A 70 -8.922 -5.889 -9.146 1.00 51.44 H new ATOM 0 HZ3 LYS A 70 -9.234 -7.554 -9.251 1.00 51.44 H new ATOM 1237 N LEU A 71 -3.064 -2.991 -5.608 1.00 13.34 N ATOM 1238 CA LEU A 71 -2.061 -2.352 -4.760 1.00 50.35 C ATOM 1239 C LEU A 71 -2.448 -0.912 -4.412 1.00 3.40 C ATOM 1240 O LEU A 71 -2.552 -0.556 -3.236 1.00 41.34 O ATOM 1241 CB LEU A 71 -0.710 -2.359 -5.478 1.00 2.30 C ATOM 1242 CG LEU A 71 0.400 -1.554 -4.802 1.00 61.23 C ATOM 1243 CD1 LEU A 71 0.811 -2.200 -3.491 1.00 73.32 C ATOM 1244 CD2 LEU A 71 1.592 -1.418 -5.734 1.00 21.22 C ATOM 0 H LEU A 71 -2.684 -3.388 -6.467 1.00 13.34 H new ATOM 0 HA LEU A 71 -1.997 -2.916 -3.829 1.00 50.35 H new ATOM 0 HB2 LEU A 71 -0.377 -3.392 -5.577 1.00 2.30 H new ATOM 0 HB3 LEU A 71 -0.853 -1.972 -6.487 1.00 2.30 H new ATOM 0 HG LEU A 71 0.019 -0.557 -4.580 1.00 61.23 H new ATOM 0 HD11 LEU A 71 1.602 -1.611 -3.027 1.00 73.32 H new ATOM 0 HD12 LEU A 71 -0.048 -2.244 -2.822 1.00 73.32 H new ATOM 0 HD13 LEU A 71 1.175 -3.210 -3.681 1.00 73.32 H new ATOM 0 HD21 LEU A 71 2.376 -0.843 -5.241 1.00 21.22 H new ATOM 0 HD22 LEU A 71 1.972 -2.408 -5.985 1.00 21.22 H new ATOM 0 HD23 LEU A 71 1.285 -0.905 -6.645 1.00 21.22 H new ATOM 1256 N ASN A 72 -2.664 -0.097 -5.443 1.00 50.14 N ATOM 1257 CA ASN A 72 -3.020 1.312 -5.264 1.00 43.34 C ATOM 1258 C ASN A 72 -4.275 1.449 -4.406 1.00 65.11 C ATOM 1259 O ASN A 72 -4.365 2.330 -3.551 1.00 54.21 O ATOM 1260 CB ASN A 72 -3.250 1.975 -6.626 1.00 15.25 C ATOM 1261 CG ASN A 72 -3.530 3.468 -6.522 1.00 74.41 C ATOM 1262 OD1 ASN A 72 -2.995 4.158 -5.657 1.00 42.33 O ATOM 1263 ND2 ASN A 72 -4.378 3.977 -7.404 1.00 31.14 N ATOM 0 H ASN A 72 -2.598 -0.390 -6.418 1.00 50.14 H new ATOM 0 HA ASN A 72 -2.194 1.810 -4.756 1.00 43.34 H new ATOM 0 HB2 ASN A 72 -2.372 1.819 -7.253 1.00 15.25 H new ATOM 0 HB3 ASN A 72 -4.088 1.488 -7.124 1.00 15.25 H new ATOM 0 HD21 ASN A 72 -4.605 4.971 -7.378 1.00 31.14 H new ATOM 0 HD22 ASN A 72 -4.804 3.375 -8.109 1.00 31.14 H new ATOM 1270 N SER A 73 -5.230 0.556 -4.629 1.00 15.20 N ATOM 1271 CA SER A 73 -6.492 0.580 -3.904 1.00 73.43 C ATOM 1272 C SER A 73 -6.266 0.383 -2.403 1.00 60.04 C ATOM 1273 O SER A 73 -6.933 1.016 -1.579 1.00 75.31 O ATOM 1274 CB SER A 73 -7.429 -0.503 -4.453 1.00 4.43 C ATOM 1275 OG SER A 73 -8.710 -0.443 -3.847 1.00 13.30 O ATOM 0 H SER A 73 -5.153 -0.199 -5.311 1.00 15.20 H new ATOM 0 HA SER A 73 -6.955 1.556 -4.047 1.00 73.43 H new ATOM 0 HB2 SER A 73 -7.531 -0.384 -5.532 1.00 4.43 H new ATOM 0 HB3 SER A 73 -6.990 -1.486 -4.281 1.00 4.43 H new ATOM 0 HG SER A 73 -9.282 -1.146 -4.221 1.00 13.30 H new ATOM 1281 N TYR A 74 -5.313 -0.477 -2.054 1.00 53.41 N ATOM 1282 CA TYR A 74 -5.010 -0.752 -0.653 1.00 1.21 C ATOM 1283 C TYR A 74 -4.339 0.454 -0.009 1.00 54.21 C ATOM 1284 O TYR A 74 -4.755 0.919 1.053 1.00 43.31 O ATOM 1285 CB TYR A 74 -4.089 -1.968 -0.515 1.00 34.41 C ATOM 1286 CG TYR A 74 -4.599 -3.219 -1.192 1.00 4.20 C ATOM 1287 CD1 TYR A 74 -5.952 -3.526 -1.213 1.00 15.51 C ATOM 1288 CD2 TYR A 74 -3.715 -4.097 -1.808 1.00 4.04 C ATOM 1289 CE1 TYR A 74 -6.412 -4.671 -1.830 1.00 52.13 C ATOM 1290 CE2 TYR A 74 -4.166 -5.244 -2.427 1.00 53.14 C ATOM 1291 CZ TYR A 74 -5.518 -5.526 -2.435 1.00 71.42 C ATOM 1292 OH TYR A 74 -5.976 -6.665 -3.053 1.00 62.41 O ATOM 0 H TYR A 74 -4.739 -0.994 -2.720 1.00 53.41 H new ATOM 0 HA TYR A 74 -5.953 -0.963 -0.148 1.00 1.21 H new ATOM 0 HB2 TYR A 74 -3.113 -1.718 -0.930 1.00 34.41 H new ATOM 0 HB3 TYR A 74 -3.941 -2.178 0.544 1.00 34.41 H new ATOM 0 HD1 TYR A 74 -6.656 -2.858 -0.739 1.00 15.51 H new ATOM 0 HD2 TYR A 74 -2.658 -3.877 -1.802 1.00 4.04 H new ATOM 0 HE1 TYR A 74 -7.468 -4.896 -1.838 1.00 52.13 H new ATOM 0 HE2 TYR A 74 -3.467 -5.917 -2.902 1.00 53.14 H new ATOM 0 HH TYR A 74 -5.272 -7.031 -3.628 1.00 62.41 H new ATOM 1302 N ILE A 75 -3.303 0.961 -0.670 1.00 43.21 N ATOM 1303 CA ILE A 75 -2.527 2.077 -0.151 1.00 31.43 C ATOM 1304 C ILE A 75 -3.382 3.332 -0.041 1.00 35.32 C ATOM 1305 O ILE A 75 -3.323 4.049 0.961 1.00 1.11 O ATOM 1306 CB ILE A 75 -1.294 2.351 -1.037 1.00 62.40 C ATOM 1307 CG1 ILE A 75 -0.378 1.122 -1.044 1.00 74.32 C ATOM 1308 CG2 ILE A 75 -0.545 3.582 -0.545 1.00 54.10 C ATOM 1309 CD1 ILE A 75 0.841 1.269 -1.927 1.00 63.44 C ATOM 0 H ILE A 75 -2.981 0.612 -1.573 1.00 43.21 H new ATOM 0 HA ILE A 75 -2.183 1.804 0.847 1.00 31.43 H new ATOM 0 HB ILE A 75 -1.626 2.546 -2.057 1.00 62.40 H new ATOM 0 HG12 ILE A 75 -0.053 0.918 -0.024 1.00 74.32 H new ATOM 0 HG13 ILE A 75 -0.951 0.256 -1.375 1.00 74.32 H new ATOM 0 HG21 ILE A 75 0.321 3.759 -1.182 1.00 54.10 H new ATOM 0 HG22 ILE A 75 -1.206 4.448 -0.581 1.00 54.10 H new ATOM 0 HG23 ILE A 75 -0.214 3.421 0.481 1.00 54.10 H new ATOM 0 HD11 ILE A 75 1.438 0.358 -1.878 1.00 63.44 H new ATOM 0 HD12 ILE A 75 0.526 1.441 -2.956 1.00 63.44 H new ATOM 0 HD13 ILE A 75 1.439 2.114 -1.584 1.00 63.44 H new ATOM 1321 N ARG A 76 -4.193 3.589 -1.062 1.00 70.12 N ATOM 1322 CA ARG A 76 -5.097 4.727 -1.032 1.00 62.12 C ATOM 1323 C ARG A 76 -6.032 4.627 0.165 1.00 43.11 C ATOM 1324 O ARG A 76 -6.235 5.604 0.876 1.00 70.25 O ATOM 1325 CB ARG A 76 -5.935 4.827 -2.308 1.00 43.01 C ATOM 1326 CG ARG A 76 -6.898 6.003 -2.273 1.00 65.11 C ATOM 1327 CD ARG A 76 -8.054 5.837 -3.243 1.00 63.43 C ATOM 1328 NE ARG A 76 -9.098 6.830 -2.991 1.00 23.05 N ATOM 1329 CZ ARG A 76 -10.121 6.638 -2.152 1.00 74.01 C ATOM 1330 NH1 ARG A 76 -10.267 5.474 -1.535 1.00 74.34 N ATOM 1331 NH2 ARG A 76 -11.000 7.609 -1.935 1.00 62.24 N ATOM 0 H ARG A 76 -4.241 3.028 -1.913 1.00 70.12 H new ATOM 0 HA ARG A 76 -4.480 5.622 -0.954 1.00 62.12 H new ATOM 0 HB2 ARG A 76 -5.273 4.927 -3.168 1.00 43.01 H new ATOM 0 HB3 ARG A 76 -6.497 3.903 -2.444 1.00 43.01 H new ATOM 0 HG2 ARG A 76 -7.290 6.118 -1.262 1.00 65.11 H new ATOM 0 HG3 ARG A 76 -6.357 6.919 -2.511 1.00 65.11 H new ATOM 0 HD2 ARG A 76 -7.692 5.937 -4.266 1.00 63.43 H new ATOM 0 HD3 ARG A 76 -8.471 4.834 -3.149 1.00 63.43 H new ATOM 0 HE ARG A 76 -9.042 7.721 -3.484 1.00 23.05 H new ATOM 0 HH11 ARG A 76 -9.598 4.722 -1.700 1.00 74.34 H new ATOM 0 HH12 ARG A 76 -11.048 5.330 -0.895 1.00 74.34 H new ATOM 0 HH21 ARG A 76 -10.896 8.506 -2.409 1.00 62.24 H new ATOM 0 HH22 ARG A 76 -11.779 7.458 -1.294 1.00 62.24 H new ATOM 1345 N ASN A 77 -6.581 3.437 0.392 1.00 31.24 N ATOM 1346 CA ASN A 77 -7.550 3.241 1.465 1.00 12.25 C ATOM 1347 C ASN A 77 -6.891 3.435 2.825 1.00 0.22 C ATOM 1348 O ASN A 77 -7.517 3.926 3.758 1.00 24.41 O ATOM 1349 CB ASN A 77 -8.177 1.849 1.390 1.00 62.14 C ATOM 1350 CG ASN A 77 -9.466 1.759 2.190 1.00 50.30 C ATOM 1351 OD1 ASN A 77 -10.553 1.945 1.652 1.00 12.01 O ATOM 1352 ND2 ASN A 77 -9.353 1.493 3.479 1.00 54.24 N ATOM 0 H ASN A 77 -6.373 2.598 -0.150 1.00 31.24 H new ATOM 0 HA ASN A 77 -8.337 3.985 1.341 1.00 12.25 H new ATOM 0 HB2 ASN A 77 -8.379 1.598 0.349 1.00 62.14 H new ATOM 0 HB3 ASN A 77 -7.467 1.111 1.763 1.00 62.14 H new ATOM 0 HD21 ASN A 77 -10.187 1.436 4.063 1.00 54.24 H new ATOM 0 HD22 ASN A 77 -8.431 1.344 3.890 1.00 54.24 H new ATOM 1359 N ALA A 78 -5.622 3.053 2.928 1.00 33.02 N ATOM 1360 CA ALA A 78 -4.873 3.231 4.167 1.00 33.01 C ATOM 1361 C ALA A 78 -4.778 4.710 4.525 1.00 41.11 C ATOM 1362 O ALA A 78 -5.020 5.104 5.665 1.00 12.22 O ATOM 1363 CB ALA A 78 -3.481 2.624 4.043 1.00 52.10 C ATOM 0 H ALA A 78 -5.092 2.620 2.172 1.00 33.02 H new ATOM 0 HA ALA A 78 -5.404 2.715 4.966 1.00 33.01 H new ATOM 0 HB1 ALA A 78 -2.937 2.767 4.977 1.00 52.10 H new ATOM 0 HB2 ALA A 78 -3.566 1.558 3.832 1.00 52.10 H new ATOM 0 HB3 ALA A 78 -2.942 3.113 3.231 1.00 52.10 H new ATOM 1369 N PHE A 79 -4.437 5.526 3.535 1.00 31.50 N ATOM 1370 CA PHE A 79 -4.340 6.967 3.732 1.00 51.43 C ATOM 1371 C PHE A 79 -5.716 7.611 3.821 1.00 53.33 C ATOM 1372 O PHE A 79 -5.908 8.583 4.548 1.00 13.42 O ATOM 1373 CB PHE A 79 -3.525 7.608 2.609 1.00 72.03 C ATOM 1374 CG PHE A 79 -2.055 7.360 2.739 1.00 43.31 C ATOM 1375 CD1 PHE A 79 -1.327 8.011 3.719 1.00 62.04 C ATOM 1376 CD2 PHE A 79 -1.401 6.477 1.896 1.00 34.12 C ATOM 1377 CE1 PHE A 79 0.023 7.790 3.858 1.00 41.54 C ATOM 1378 CE2 PHE A 79 -0.046 6.253 2.030 1.00 45.42 C ATOM 1379 CZ PHE A 79 0.667 6.911 3.014 1.00 62.40 C ATOM 0 H PHE A 79 -4.223 5.214 2.588 1.00 31.50 H new ATOM 0 HA PHE A 79 -3.829 7.138 4.680 1.00 51.43 H new ATOM 0 HB2 PHE A 79 -3.870 7.221 1.650 1.00 72.03 H new ATOM 0 HB3 PHE A 79 -3.708 8.683 2.603 1.00 72.03 H new ATOM 0 HD1 PHE A 79 -1.825 8.702 4.383 1.00 62.04 H new ATOM 0 HD2 PHE A 79 -1.956 5.960 1.127 1.00 34.12 H new ATOM 0 HE1 PHE A 79 0.578 8.305 4.628 1.00 41.54 H new ATOM 0 HE2 PHE A 79 0.457 5.564 1.367 1.00 45.42 H new ATOM 0 HZ PHE A 79 1.727 6.737 3.122 1.00 62.40 H new ATOM 1389 N ASP A 80 -6.668 7.065 3.082 1.00 0.11 N ATOM 1390 CA ASP A 80 -8.037 7.562 3.100 1.00 41.43 C ATOM 1391 C ASP A 80 -8.672 7.319 4.464 1.00 31.30 C ATOM 1392 O ASP A 80 -9.465 8.126 4.944 1.00 15.11 O ATOM 1393 CB ASP A 80 -8.858 6.884 2.001 1.00 53.10 C ATOM 1394 CG ASP A 80 -10.283 7.389 1.933 1.00 72.32 C ATOM 1395 OD1 ASP A 80 -10.502 8.507 1.426 1.00 34.05 O ATOM 1396 OD2 ASP A 80 -11.196 6.656 2.362 1.00 50.44 O ATOM 0 H ASP A 80 -6.518 6.272 2.458 1.00 0.11 H new ATOM 0 HA ASP A 80 -8.022 8.636 2.913 1.00 41.43 H new ATOM 0 HB2 ASP A 80 -8.373 7.049 1.039 1.00 53.10 H new ATOM 0 HB3 ASP A 80 -8.867 5.808 2.173 1.00 53.10 H new ATOM 1401 N ASP A 81 -8.306 6.212 5.094 1.00 35.02 N ATOM 1402 CA ASP A 81 -8.778 5.913 6.439 1.00 35.11 C ATOM 1403 C ASP A 81 -8.073 6.816 7.448 1.00 74.33 C ATOM 1404 O ASP A 81 -8.679 7.301 8.405 1.00 24.14 O ATOM 1405 CB ASP A 81 -8.528 4.442 6.780 1.00 50.25 C ATOM 1406 CG ASP A 81 -9.351 3.976 7.964 1.00 31.13 C ATOM 1407 OD1 ASP A 81 -8.952 4.237 9.114 1.00 63.31 O ATOM 1408 OD2 ASP A 81 -10.408 3.343 7.743 1.00 13.52 O ATOM 0 H ASP A 81 -7.685 5.507 4.697 1.00 35.02 H new ATOM 0 HA ASP A 81 -9.851 6.099 6.484 1.00 35.11 H new ATOM 0 HB2 ASP A 81 -8.763 3.826 5.912 1.00 50.25 H new ATOM 0 HB3 ASP A 81 -7.470 4.297 6.997 1.00 50.25 H new ATOM 1413 N ALA A 82 -6.788 7.058 7.206 1.00 2.04 N ATOM 1414 CA ALA A 82 -6.000 7.957 8.040 1.00 45.42 C ATOM 1415 C ALA A 82 -6.569 9.376 7.996 1.00 34.51 C ATOM 1416 O ALA A 82 -6.840 9.979 9.034 1.00 31.22 O ATOM 1417 CB ALA A 82 -4.545 7.949 7.592 1.00 62.42 C ATOM 0 H ALA A 82 -6.269 6.641 6.434 1.00 2.04 H new ATOM 0 HA ALA A 82 -6.050 7.605 9.070 1.00 45.42 H new ATOM 0 HB1 ALA A 82 -3.966 8.624 8.222 1.00 62.42 H new ATOM 0 HB2 ALA A 82 -4.143 6.939 7.678 1.00 62.42 H new ATOM 0 HB3 ALA A 82 -4.482 8.278 6.555 1.00 62.42 H new ATOM 1423 N ILE A 83 -6.772 9.895 6.788 1.00 70.42 N ATOM 1424 CA ILE A 83 -7.323 11.238 6.604 1.00 34.21 C ATOM 1425 C ILE A 83 -8.744 11.305 7.153 1.00 4.21 C ATOM 1426 O ILE A 83 -9.193 12.346 7.634 1.00 5.23 O ATOM 1427 CB ILE A 83 -7.310 11.668 5.116 1.00 64.12 C ATOM 1428 CG1 ILE A 83 -7.477 13.184 4.996 1.00 24.44 C ATOM 1429 CG2 ILE A 83 -8.405 10.960 4.323 1.00 34.21 C ATOM 1430 CD1 ILE A 83 -7.363 13.693 3.574 1.00 52.13 C ATOM 0 H ILE A 83 -6.563 9.405 5.918 1.00 70.42 H new ATOM 0 HA ILE A 83 -6.688 11.931 7.156 1.00 34.21 H new ATOM 0 HB ILE A 83 -6.346 11.380 4.697 1.00 64.12 H new ATOM 0 HG12 ILE A 83 -8.450 13.468 5.398 1.00 24.44 H new ATOM 0 HG13 ILE A 83 -6.722 13.675 5.611 1.00 24.44 H new ATOM 0 HG21 ILE A 83 -8.368 11.284 3.283 1.00 34.21 H new ATOM 0 HG22 ILE A 83 -8.251 9.882 4.373 1.00 34.21 H new ATOM 0 HG23 ILE A 83 -9.379 11.208 4.746 1.00 34.21 H new ATOM 0 HD11 ILE A 83 -7.492 14.775 3.564 1.00 52.13 H new ATOM 0 HD12 ILE A 83 -6.381 13.440 3.175 1.00 52.13 H new ATOM 0 HD13 ILE A 83 -8.135 13.230 2.959 1.00 52.13 H new ATOM 1442 N HIS A 84 -9.435 10.173 7.083 1.00 13.31 N ATOM 1443 CA HIS A 84 -10.803 10.052 7.565 1.00 23.01 C ATOM 1444 C HIS A 84 -10.899 10.417 9.047 1.00 53.54 C ATOM 1445 O HIS A 84 -11.958 10.813 9.531 1.00 54.52 O ATOM 1446 CB HIS A 84 -11.293 8.619 7.346 1.00 22.24 C ATOM 1447 CG HIS A 84 -12.734 8.409 7.666 1.00 10.05 C ATOM 1448 ND1 HIS A 84 -13.173 7.504 8.604 1.00 21.55 N ATOM 1449 CD2 HIS A 84 -13.839 8.985 7.150 1.00 25.20 C ATOM 1450 CE1 HIS A 84 -14.491 7.530 8.650 1.00 21.52 C ATOM 1451 NE2 HIS A 84 -14.922 8.422 7.776 1.00 50.54 N ATOM 0 H HIS A 84 -9.059 9.311 6.688 1.00 13.31 H new ATOM 0 HA HIS A 84 -11.432 10.746 7.007 1.00 23.01 H new ATOM 0 HB2 HIS A 84 -11.120 8.343 6.306 1.00 22.24 H new ATOM 0 HB3 HIS A 84 -10.695 7.945 7.959 1.00 22.24 H new ATOM 0 HD2 HIS A 84 -13.866 9.748 6.386 1.00 25.20 H new ATOM 0 HE1 HIS A 84 -15.112 6.925 9.293 1.00 21.52 H new ATOM 0 HE2 HIS A 84 -15.899 8.654 7.596 1.00 50.54 H new ATOM 1460 N GLU A 85 -9.795 10.271 9.764 1.00 5.33 N ATOM 1461 CA GLU A 85 -9.769 10.601 11.184 1.00 13.01 C ATOM 1462 C GLU A 85 -8.780 11.720 11.475 1.00 22.22 C ATOM 1463 O GLU A 85 -8.676 12.190 12.607 1.00 30.34 O ATOM 1464 CB GLU A 85 -9.438 9.364 12.016 1.00 34.40 C ATOM 1465 CG GLU A 85 -10.522 8.307 11.955 1.00 1.53 C ATOM 1466 CD GLU A 85 -10.244 7.124 12.852 1.00 41.12 C ATOM 1467 OE1 GLU A 85 -10.201 7.305 14.087 1.00 4.11 O ATOM 1468 OE2 GLU A 85 -10.098 6.003 12.329 1.00 11.23 O ATOM 0 H GLU A 85 -8.910 9.929 9.391 1.00 5.33 H new ATOM 0 HA GLU A 85 -10.762 10.953 11.462 1.00 13.01 H new ATOM 0 HB2 GLU A 85 -8.499 8.936 11.664 1.00 34.40 H new ATOM 0 HB3 GLU A 85 -9.284 9.660 13.054 1.00 34.40 H new ATOM 0 HG2 GLU A 85 -11.475 8.755 12.238 1.00 1.53 H new ATOM 0 HG3 GLU A 85 -10.626 7.960 10.927 1.00 1.53 H new ATOM 1475 N GLY A 86 -8.059 12.143 10.449 1.00 15.11 N ATOM 1476 CA GLY A 86 -7.132 13.243 10.600 1.00 65.30 C ATOM 1477 C GLY A 86 -5.769 12.780 11.059 1.00 34.31 C ATOM 1478 O GLY A 86 -4.991 13.562 11.605 1.00 14.41 O ATOM 0 H GLY A 86 -8.100 11.743 9.512 1.00 15.11 H new ATOM 0 HA2 GLY A 86 -7.035 13.767 9.649 1.00 65.30 H new ATOM 0 HA3 GLY A 86 -7.533 13.958 11.319 1.00 65.30 H new ATOM 1482 N TYR A 87 -5.474 11.507 10.836 1.00 32.21 N ATOM 1483 CA TYR A 87 -4.197 10.945 11.239 1.00 10.54 C ATOM 1484 C TYR A 87 -3.090 11.433 10.304 1.00 54.44 C ATOM 1485 O TYR A 87 -1.918 11.471 10.675 1.00 43.04 O ATOM 1486 CB TYR A 87 -4.261 9.414 11.252 1.00 54.10 C ATOM 1487 CG TYR A 87 -3.058 8.778 11.904 1.00 64.34 C ATOM 1488 CD1 TYR A 87 -2.795 8.986 13.250 1.00 35.14 C ATOM 1489 CD2 TYR A 87 -2.177 7.990 11.175 1.00 4.10 C ATOM 1490 CE1 TYR A 87 -1.685 8.433 13.854 1.00 61.11 C ATOM 1491 CE2 TYR A 87 -1.065 7.427 11.775 1.00 3.13 C ATOM 1492 CZ TYR A 87 -0.824 7.655 13.115 1.00 53.23 C ATOM 1493 OH TYR A 87 0.291 7.117 13.714 1.00 31.42 O ATOM 0 H TYR A 87 -6.102 10.846 10.379 1.00 32.21 H new ATOM 0 HA TYR A 87 -3.971 11.282 12.251 1.00 10.54 H new ATOM 0 HB2 TYR A 87 -5.162 9.098 11.778 1.00 54.10 H new ATOM 0 HB3 TYR A 87 -4.346 9.051 10.228 1.00 54.10 H new ATOM 0 HD1 TYR A 87 -3.471 9.592 13.835 1.00 35.14 H new ATOM 0 HD2 TYR A 87 -2.363 7.814 10.126 1.00 4.10 H new ATOM 0 HE1 TYR A 87 -1.493 8.610 14.902 1.00 61.11 H new ATOM 0 HE2 TYR A 87 -0.389 6.813 11.198 1.00 3.13 H new ATOM 0 HH TYR A 87 0.255 6.140 13.654 1.00 31.42 H new ATOM 1503 N VAL A 88 -3.476 11.808 9.094 1.00 52.22 N ATOM 1504 CA VAL A 88 -2.554 12.420 8.154 1.00 73.31 C ATOM 1505 C VAL A 88 -3.238 13.616 7.499 1.00 30.31 C ATOM 1506 O VAL A 88 -4.445 13.584 7.256 1.00 1.23 O ATOM 1507 CB VAL A 88 -2.057 11.415 7.083 1.00 25.12 C ATOM 1508 CG1 VAL A 88 -3.175 11.025 6.126 1.00 13.40 C ATOM 1509 CG2 VAL A 88 -0.863 11.981 6.328 1.00 50.31 C ATOM 0 H VAL A 88 -4.426 11.698 8.740 1.00 52.22 H new ATOM 0 HA VAL A 88 -1.671 12.751 8.701 1.00 73.31 H new ATOM 0 HB VAL A 88 -1.736 10.509 7.598 1.00 25.12 H new ATOM 0 HG11 VAL A 88 -2.793 10.320 5.388 1.00 13.40 H new ATOM 0 HG12 VAL A 88 -3.987 10.561 6.685 1.00 13.40 H new ATOM 0 HG13 VAL A 88 -3.547 11.915 5.619 1.00 13.40 H new ATOM 0 HG21 VAL A 88 -0.530 11.260 5.581 1.00 50.31 H new ATOM 0 HG22 VAL A 88 -1.152 12.909 5.834 1.00 50.31 H new ATOM 0 HG23 VAL A 88 -0.051 12.180 7.028 1.00 50.31 H new ATOM 1519 N ILE A 89 -2.483 14.675 7.250 1.00 33.43 N ATOM 1520 CA ILE A 89 -3.060 15.911 6.740 1.00 31.15 C ATOM 1521 C ILE A 89 -3.138 15.906 5.212 1.00 52.23 C ATOM 1522 O ILE A 89 -4.049 16.492 4.626 1.00 63.23 O ATOM 1523 CB ILE A 89 -2.260 17.143 7.232 1.00 3.21 C ATOM 1524 CG1 ILE A 89 -2.976 18.446 6.858 1.00 53.34 C ATOM 1525 CG2 ILE A 89 -0.842 17.132 6.675 1.00 73.40 C ATOM 1526 CD1 ILE A 89 -4.317 18.616 7.540 1.00 1.43 C ATOM 0 H ILE A 89 -1.473 14.705 7.392 1.00 33.43 H new ATOM 0 HA ILE A 89 -4.076 15.978 7.130 1.00 31.15 H new ATOM 0 HB ILE A 89 -2.198 17.087 8.319 1.00 3.21 H new ATOM 0 HG12 ILE A 89 -2.336 19.290 7.117 1.00 53.34 H new ATOM 0 HG13 ILE A 89 -3.120 18.475 5.778 1.00 53.34 H new ATOM 0 HG21 ILE A 89 -0.303 18.008 7.036 1.00 73.40 H new ATOM 0 HG22 ILE A 89 -0.329 16.228 7.004 1.00 73.40 H new ATOM 0 HG23 ILE A 89 -0.879 17.152 5.586 1.00 73.40 H new ATOM 0 HD11 ILE A 89 -4.766 19.559 7.229 1.00 1.43 H new ATOM 0 HD12 ILE A 89 -4.974 17.792 7.262 1.00 1.43 H new ATOM 0 HD13 ILE A 89 -4.178 18.620 8.621 1.00 1.43 H new ATOM 1538 N LYS A 90 -2.194 15.235 4.569 1.00 44.22 N ATOM 1539 CA LYS A 90 -2.160 15.170 3.117 1.00 61.41 C ATOM 1540 C LYS A 90 -1.800 13.765 2.655 1.00 2.44 C ATOM 1541 O LYS A 90 -0.880 13.145 3.189 1.00 43.22 O ATOM 1542 CB LYS A 90 -1.160 16.180 2.540 1.00 13.14 C ATOM 1543 CG LYS A 90 -1.593 17.634 2.667 1.00 34.44 C ATOM 1544 CD LYS A 90 -0.655 18.559 1.905 1.00 14.22 C ATOM 1545 CE LYS A 90 -1.184 19.987 1.849 1.00 23.23 C ATOM 1546 NZ LYS A 90 -1.147 20.668 3.172 1.00 1.53 N ATOM 0 H LYS A 90 -1.440 14.727 5.032 1.00 44.22 H new ATOM 0 HA LYS A 90 -3.155 15.423 2.750 1.00 61.41 H new ATOM 0 HB2 LYS A 90 -0.202 16.053 3.044 1.00 13.14 H new ATOM 0 HB3 LYS A 90 -0.998 15.952 1.486 1.00 13.14 H new ATOM 0 HG2 LYS A 90 -2.608 17.748 2.286 1.00 34.44 H new ATOM 0 HG3 LYS A 90 -1.613 17.919 3.719 1.00 34.44 H new ATOM 0 HD2 LYS A 90 0.325 18.554 2.381 1.00 14.22 H new ATOM 0 HD3 LYS A 90 -0.519 18.183 0.891 1.00 14.22 H new ATOM 0 HE2 LYS A 90 -0.594 20.560 1.134 1.00 23.23 H new ATOM 0 HE3 LYS A 90 -2.210 19.976 1.480 1.00 23.23 H new ATOM 0 HZ1 LYS A 90 -1.518 21.635 3.075 1.00 1.53 H new ATOM 0 HZ2 LYS A 90 -1.731 20.139 3.851 1.00 1.53 H new ATOM 0 HZ3 LYS A 90 -0.166 20.706 3.515 1.00 1.53 H new ATOM 1560 N ASN A 91 -2.531 13.275 1.666 1.00 72.45 N ATOM 1561 CA ASN A 91 -2.319 11.933 1.133 1.00 53.33 C ATOM 1562 C ASN A 91 -1.300 11.953 -0.003 1.00 65.31 C ATOM 1563 O ASN A 91 -1.444 12.715 -0.961 1.00 71.43 O ATOM 1564 CB ASN A 91 -3.643 11.348 0.622 1.00 33.11 C ATOM 1565 CG ASN A 91 -4.629 11.024 1.734 1.00 24.43 C ATOM 1566 OD1 ASN A 91 -4.597 11.617 2.810 1.00 33.54 O ATOM 1567 ND2 ASN A 91 -5.528 10.088 1.473 1.00 10.45 N ATOM 0 H ASN A 91 -3.284 13.791 1.211 1.00 72.45 H new ATOM 0 HA ASN A 91 -1.934 11.309 1.939 1.00 53.33 H new ATOM 0 HB2 ASN A 91 -4.103 12.057 -0.066 1.00 33.11 H new ATOM 0 HB3 ASN A 91 -3.436 10.441 0.054 1.00 33.11 H new ATOM 0 HD21 ASN A 91 -6.224 9.839 2.176 1.00 10.45 H new ATOM 0 HD22 ASN A 91 -5.525 9.616 0.569 1.00 10.45 H new ATOM 1574 N PRO A 92 -0.257 11.111 0.085 1.00 64.13 N ATOM 1575 CA PRO A 92 0.771 10.991 -0.957 1.00 64.45 C ATOM 1576 C PRO A 92 0.277 10.229 -2.185 1.00 75.33 C ATOM 1577 O PRO A 92 1.054 9.912 -3.082 1.00 33.32 O ATOM 1578 CB PRO A 92 1.903 10.208 -0.279 1.00 42.22 C ATOM 1579 CG PRO A 92 1.527 10.121 1.166 1.00 51.33 C ATOM 1580 CD PRO A 92 0.032 10.231 1.220 1.00 22.14 C ATOM 0 HA PRO A 92 1.073 11.972 -1.324 1.00 64.45 H new ATOM 0 HB2 PRO A 92 2.009 9.215 -0.716 1.00 42.22 H new ATOM 0 HB3 PRO A 92 2.860 10.715 -0.405 1.00 42.22 H new ATOM 0 HG2 PRO A 92 1.863 9.179 1.599 1.00 51.33 H new ATOM 0 HG3 PRO A 92 1.997 10.921 1.739 1.00 51.33 H new ATOM 0 HD2 PRO A 92 -0.451 9.260 1.115 1.00 22.14 H new ATOM 0 HD3 PRO A 92 -0.311 10.657 2.163 1.00 22.14 H new ATOM 1588 N THR A 93 -1.017 9.942 -2.217 1.00 31.00 N ATOM 1589 CA THR A 93 -1.633 9.262 -3.345 1.00 24.33 C ATOM 1590 C THR A 93 -1.944 10.251 -4.467 1.00 2.24 C ATOM 1591 O THR A 93 -2.568 9.904 -5.472 1.00 41.42 O ATOM 1592 CB THR A 93 -2.922 8.547 -2.899 1.00 25.11 C ATOM 1593 OG1 THR A 93 -3.672 9.402 -2.025 1.00 25.30 O ATOM 1594 CG2 THR A 93 -2.599 7.245 -2.184 1.00 25.41 C ATOM 0 H THR A 93 -1.666 10.173 -1.465 1.00 31.00 H new ATOM 0 HA THR A 93 -0.929 8.520 -3.722 1.00 24.33 H new ATOM 0 HB THR A 93 -3.513 8.318 -3.786 1.00 25.11 H new ATOM 0 HG1 THR A 93 -4.492 8.945 -1.745 1.00 25.30 H new ATOM 0 HG21 THR A 93 -3.525 6.758 -1.879 1.00 25.41 H new ATOM 0 HG22 THR A 93 -2.048 6.588 -2.857 1.00 25.41 H new ATOM 0 HG23 THR A 93 -1.992 7.454 -1.303 1.00 25.41 H new ATOM 1602 N TYR A 94 -1.502 11.487 -4.280 1.00 65.12 N ATOM 1603 CA TYR A 94 -1.703 12.537 -5.262 1.00 43.54 C ATOM 1604 C TYR A 94 -0.738 12.365 -6.432 1.00 74.41 C ATOM 1605 O TYR A 94 0.416 11.980 -6.239 1.00 31.01 O ATOM 1606 CB TYR A 94 -1.508 13.911 -4.611 1.00 13.43 C ATOM 1607 CG TYR A 94 -1.807 15.072 -5.537 1.00 31.15 C ATOM 1608 CD1 TYR A 94 -3.102 15.549 -5.678 1.00 0.14 C ATOM 1609 CD2 TYR A 94 -0.799 15.683 -6.275 1.00 34.25 C ATOM 1610 CE1 TYR A 94 -3.385 16.601 -6.527 1.00 22.34 C ATOM 1611 CE2 TYR A 94 -1.075 16.736 -7.125 1.00 3.51 C ATOM 1612 CZ TYR A 94 -2.370 17.190 -7.245 1.00 64.13 C ATOM 1613 OH TYR A 94 -2.651 18.234 -8.095 1.00 44.13 O ATOM 0 H TYR A 94 -0.996 11.787 -3.446 1.00 65.12 H new ATOM 0 HA TYR A 94 -2.722 12.468 -5.642 1.00 43.54 H new ATOM 0 HB2 TYR A 94 -2.151 13.982 -3.734 1.00 13.43 H new ATOM 0 HB3 TYR A 94 -0.480 13.994 -4.259 1.00 13.43 H new ATOM 0 HD1 TYR A 94 -3.902 15.091 -5.115 1.00 0.14 H new ATOM 0 HD2 TYR A 94 0.217 15.328 -6.182 1.00 34.25 H new ATOM 0 HE1 TYR A 94 -4.399 16.960 -6.627 1.00 22.34 H new ATOM 0 HE2 TYR A 94 -0.281 17.200 -7.692 1.00 3.51 H new ATOM 0 HH TYR A 94 -1.824 18.537 -8.525 1.00 44.13 H new ATOM 1623 N LYS A 95 -1.238 12.631 -7.641 1.00 22.43 N ATOM 1624 CA LYS A 95 -0.434 12.609 -8.869 1.00 14.33 C ATOM 1625 C LYS A 95 -0.082 11.178 -9.280 1.00 63.52 C ATOM 1626 O LYS A 95 0.636 10.956 -10.260 1.00 50.44 O ATOM 1627 CB LYS A 95 0.842 13.447 -8.706 1.00 13.51 C ATOM 1628 CG LYS A 95 1.348 14.030 -10.012 1.00 25.54 C ATOM 1629 CD LYS A 95 0.357 15.035 -10.575 1.00 42.40 C ATOM 1630 CE LYS A 95 0.739 15.482 -11.971 1.00 22.50 C ATOM 1631 NZ LYS A 95 0.614 14.378 -12.962 1.00 64.13 N ATOM 0 H LYS A 95 -2.217 12.869 -7.798 1.00 22.43 H new ATOM 0 HA LYS A 95 -1.038 13.050 -9.662 1.00 14.33 H new ATOM 0 HB2 LYS A 95 0.648 14.259 -8.005 1.00 13.51 H new ATOM 0 HB3 LYS A 95 1.623 12.826 -8.267 1.00 13.51 H new ATOM 0 HG2 LYS A 95 2.311 14.514 -9.850 1.00 25.54 H new ATOM 0 HG3 LYS A 95 1.511 13.230 -10.734 1.00 25.54 H new ATOM 0 HD2 LYS A 95 -0.638 14.591 -10.595 1.00 42.40 H new ATOM 0 HD3 LYS A 95 0.306 15.903 -9.917 1.00 42.40 H new ATOM 0 HE2 LYS A 95 0.103 16.314 -12.272 1.00 22.50 H new ATOM 0 HE3 LYS A 95 1.765 15.851 -11.966 1.00 22.50 H new ATOM 0 HZ1 LYS A 95 0.634 14.772 -13.924 1.00 64.13 H new ATOM 0 HZ2 LYS A 95 1.405 13.714 -12.843 1.00 64.13 H new ATOM 0 HZ3 LYS A 95 -0.285 13.876 -12.811 1.00 64.13 H new ATOM 1645 N ALA A 96 -0.610 10.214 -8.540 1.00 31.52 N ATOM 1646 CA ALA A 96 -0.353 8.809 -8.809 1.00 32.40 C ATOM 1647 C ALA A 96 -1.132 8.330 -10.027 1.00 12.32 C ATOM 1648 O ALA A 96 -2.250 8.779 -10.279 1.00 61.24 O ATOM 1649 CB ALA A 96 -0.703 7.969 -7.591 1.00 43.44 C ATOM 0 H ALA A 96 -1.224 10.383 -7.743 1.00 31.52 H new ATOM 0 HA ALA A 96 0.709 8.694 -9.025 1.00 32.40 H new ATOM 0 HB1 ALA A 96 -0.506 6.918 -7.805 1.00 43.44 H new ATOM 0 HB2 ALA A 96 -0.096 8.287 -6.743 1.00 43.44 H new ATOM 0 HB3 ALA A 96 -1.758 8.099 -7.350 1.00 43.44 H new ATOM 1655 N GLU A 97 -0.528 7.423 -10.780 1.00 41.55 N ATOM 1656 CA GLU A 97 -1.153 6.853 -11.967 1.00 0.03 C ATOM 1657 C GLU A 97 -0.882 5.358 -12.037 1.00 11.05 C ATOM 1658 O GLU A 97 0.102 4.874 -11.472 1.00 63.22 O ATOM 1659 CB GLU A 97 -0.627 7.526 -13.236 1.00 11.31 C ATOM 1660 CG GLU A 97 -1.107 8.952 -13.430 1.00 13.01 C ATOM 1661 CD GLU A 97 -0.548 9.572 -14.690 1.00 12.21 C ATOM 1662 OE1 GLU A 97 -0.894 9.098 -15.794 1.00 13.04 O ATOM 1663 OE2 GLU A 97 0.248 10.527 -14.584 1.00 53.14 O ATOM 0 H GLU A 97 0.406 7.061 -10.587 1.00 41.55 H new ATOM 0 HA GLU A 97 -2.227 7.025 -11.898 1.00 0.03 H new ATOM 0 HB2 GLU A 97 0.463 7.522 -13.211 1.00 11.31 H new ATOM 0 HB3 GLU A 97 -0.928 6.933 -14.100 1.00 11.31 H new ATOM 0 HG2 GLU A 97 -2.196 8.965 -13.472 1.00 13.01 H new ATOM 0 HG3 GLU A 97 -0.814 9.553 -12.569 1.00 13.01 H new ATOM 1670 N LEU A 98 -1.751 4.638 -12.732 1.00 14.22 N ATOM 1671 CA LEU A 98 -1.608 3.195 -12.893 1.00 65.04 C ATOM 1672 C LEU A 98 -1.356 2.841 -14.355 1.00 73.23 C ATOM 1673 O LEU A 98 -2.292 2.748 -15.150 1.00 5.34 O ATOM 1674 CB LEU A 98 -2.865 2.473 -12.400 1.00 55.10 C ATOM 1675 CG LEU A 98 -3.232 2.726 -10.939 1.00 35.20 C ATOM 1676 CD1 LEU A 98 -4.536 2.032 -10.592 1.00 71.51 C ATOM 1677 CD2 LEU A 98 -2.118 2.248 -10.026 1.00 12.41 C ATOM 0 H LEU A 98 -2.569 5.032 -13.197 1.00 14.22 H new ATOM 0 HA LEU A 98 -0.754 2.872 -12.297 1.00 65.04 H new ATOM 0 HB2 LEU A 98 -3.705 2.773 -13.026 1.00 55.10 H new ATOM 0 HB3 LEU A 98 -2.728 1.401 -12.543 1.00 55.10 H new ATOM 0 HG LEU A 98 -3.363 3.798 -10.795 1.00 35.20 H new ATOM 0 HD11 LEU A 98 -4.783 2.222 -9.548 1.00 71.51 H new ATOM 0 HD12 LEU A 98 -5.333 2.416 -11.229 1.00 71.51 H new ATOM 0 HD13 LEU A 98 -4.430 0.959 -10.750 1.00 71.51 H new ATOM 0 HD21 LEU A 98 -2.393 2.435 -8.988 1.00 12.41 H new ATOM 0 HD22 LEU A 98 -1.960 1.180 -10.173 1.00 12.41 H new ATOM 0 HD23 LEU A 98 -1.199 2.786 -10.260 1.00 12.41 H new ATOM 1689 N HIS A 99 -0.092 2.669 -14.714 1.00 65.14 N ATOM 1690 CA HIS A 99 0.267 2.313 -16.079 1.00 43.32 C ATOM 1691 C HIS A 99 1.039 1.006 -16.116 1.00 4.12 C ATOM 1692 O HIS A 99 2.254 0.984 -15.920 1.00 25.14 O ATOM 1693 CB HIS A 99 1.101 3.416 -16.742 1.00 12.21 C ATOM 1694 CG HIS A 99 0.352 4.688 -16.977 1.00 34.41 C ATOM 1695 ND1 HIS A 99 -0.399 4.922 -18.109 1.00 32.20 N ATOM 1696 CD2 HIS A 99 0.245 5.801 -16.218 1.00 14.11 C ATOM 1697 CE1 HIS A 99 -0.934 6.128 -18.037 1.00 20.43 C ATOM 1698 NE2 HIS A 99 -0.559 6.682 -16.898 1.00 33.01 N ATOM 0 H HIS A 99 0.701 2.770 -14.080 1.00 65.14 H new ATOM 0 HA HIS A 99 -0.663 2.194 -16.634 1.00 43.32 H new ATOM 0 HB2 HIS A 99 1.968 3.627 -16.116 1.00 12.21 H new ATOM 0 HB3 HIS A 99 1.479 3.048 -17.696 1.00 12.21 H new ATOM 0 HD2 HIS A 99 0.706 5.967 -15.256 1.00 14.11 H new ATOM 0 HE1 HIS A 99 -1.569 6.583 -18.782 1.00 20.43 H new ATOM 0 HE2 HIS A 99 -0.824 7.613 -16.576 1.00 33.01 H new ATOM 1707 N ALA A 100 0.328 -0.086 -16.342 1.00 71.11 N ATOM 1708 CA ALA A 100 0.968 -1.372 -16.532 1.00 31.23 C ATOM 1709 C ALA A 100 1.490 -1.467 -17.958 1.00 32.31 C ATOM 1710 O ALA A 100 0.797 -1.946 -18.856 1.00 62.42 O ATOM 1711 CB ALA A 100 0.005 -2.508 -16.225 1.00 72.42 C ATOM 0 H ALA A 100 -0.690 -0.106 -16.398 1.00 71.11 H new ATOM 0 HA ALA A 100 1.806 -1.461 -15.840 1.00 31.23 H new ATOM 0 HB1 ALA A 100 0.509 -3.463 -16.375 1.00 72.42 H new ATOM 0 HB2 ALA A 100 -0.329 -2.432 -15.190 1.00 72.42 H new ATOM 0 HB3 ALA A 100 -0.857 -2.444 -16.890 1.00 72.42 H new ATOM 1717 N SER A 101 2.711 -0.985 -18.156 1.00 5.33 N ATOM 1718 CA SER A 101 3.297 -0.861 -19.488 1.00 15.12 C ATOM 1719 C SER A 101 3.551 -2.230 -20.121 1.00 22.41 C ATOM 1720 O SER A 101 3.937 -2.328 -21.287 1.00 24.21 O ATOM 1721 CB SER A 101 4.598 -0.056 -19.410 1.00 64.24 C ATOM 1722 OG SER A 101 5.052 0.325 -20.699 1.00 70.32 O ATOM 0 H SER A 101 3.322 -0.670 -17.402 1.00 5.33 H new ATOM 0 HA SER A 101 2.586 -0.334 -20.124 1.00 15.12 H new ATOM 0 HB2 SER A 101 4.440 0.834 -18.801 1.00 64.24 H new ATOM 0 HB3 SER A 101 5.365 -0.650 -18.914 1.00 64.24 H new ATOM 0 HG SER A 101 4.856 -0.390 -21.339 1.00 70.32 H new