USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 83 HIS : no HD1:sc= -0.54 X(o=-0.016,f=-0.085) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 90 LYS NZ :NH3+ 145:sc= 0.524 (180deg=0.125) USER MOD Set 2.1: A 50 SER OG : rot -30:sc= 1.45 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -173:sc= 0.497 (180deg=0.148) USER MOD Set 3.1: A 24 HIS : no HE2:sc= -0.195 X(o=-0.19,f=-0.55) USER MOD Set 3.2: A 86 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0132) USER MOD Set 4.1: A 3 SER OG : rot 180:sc= 1.04 USER MOD Set 4.2: A 16 GLN : amide:sc= 1.1 K(o=2.1,f=-0.67) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0755 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= 0.148 (180deg=-0.528) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0624) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0.772 (180deg=0.732) USER MOD Single : A 32 THR OG1 : rot 158:sc= 1.23 USER MOD Single : A 34 THR OG1 : rot 125:sc= 1.06 USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 0.462 (180deg=0.085) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 66:sc= 0.858 USER MOD Single : A 51 ASN : amide:sc= 0.732 K(o=0.73,f=-0.0073) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 1.44 (180deg=1.2) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.484 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 98 SER OG : rot 180:sc= -0.121 USER MOD Single : A 99 GLN : amide:sc= -0.0752! C(o=-0.075!,f=-3.6!) USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= -0.0101 (180deg=-0.115) USER MOD Single : A 103 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.767) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.386 K(o=0.39,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 2.736 -6.628 3.813 1.00 0.00 N ATOM 18 CA SER A 3 2.470 -5.203 3.904 1.00 0.00 C ATOM 19 C SER A 3 0.972 -4.993 3.680 1.00 0.00 C ATOM 20 O SER A 3 0.491 -5.080 2.553 1.00 0.00 O ATOM 21 CB SER A 3 3.269 -4.424 2.856 1.00 0.00 C ATOM 22 OG SER A 3 4.661 -4.616 3.030 1.00 0.00 O ATOM 0 HA SER A 3 2.771 -4.835 4.885 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.976 -4.747 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.033 -3.362 2.930 1.00 0.00 H new ATOM 0 HG SER A 3 5.149 -4.110 2.347 1.00 0.00 H new ATOM 28 N VAL A 4 0.234 -4.766 4.764 1.00 0.00 N ATOM 29 CA VAL A 4 -1.188 -4.487 4.761 1.00 0.00 C ATOM 30 C VAL A 4 -1.449 -3.357 5.771 1.00 0.00 C ATOM 31 O VAL A 4 -2.533 -3.235 6.337 1.00 0.00 O ATOM 32 CB VAL A 4 -1.909 -5.814 5.057 1.00 0.00 C ATOM 33 CG1 VAL A 4 -1.770 -6.242 6.517 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.384 -5.790 4.680 1.00 0.00 C ATOM 0 H VAL A 4 0.632 -4.773 5.703 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.573 -4.128 3.806 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.407 -6.547 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.297 -7.184 6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.715 -6.372 6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.199 -5.476 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.835 -6.755 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.891 -5.007 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.484 -5.592 3.613 1.00 0.00 H new ATOM 44 N ILE A 5 -0.426 -2.528 5.992 1.00 0.00 N ATOM 45 CA ILE A 5 -0.400 -1.421 6.934 1.00 0.00 C ATOM 46 C ILE A 5 0.456 -0.316 6.318 1.00 0.00 C ATOM 47 O ILE A 5 1.054 -0.523 5.261 1.00 0.00 O ATOM 48 CB ILE A 5 0.169 -1.879 8.295 1.00 0.00 C ATOM 49 CG1 ILE A 5 1.574 -2.498 8.133 1.00 0.00 C ATOM 50 CG2 ILE A 5 -0.787 -2.879 8.961 1.00 0.00 C ATOM 51 CD1 ILE A 5 2.233 -2.817 9.477 1.00 0.00 C ATOM 0 H ILE A 5 0.454 -2.622 5.486 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.408 -1.051 7.122 1.00 0.00 H new ATOM 0 HB ILE A 5 0.263 -1.002 8.936 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.499 -3.411 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.209 -1.809 7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.374 -3.194 9.919 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.755 -2.405 9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.911 -3.749 8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.218 -3.250 9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.336 -1.901 10.059 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.615 -3.528 10.026 1.00 0.00 H new ATOM 63 N VAL A 6 0.572 0.827 6.994 1.00 0.00 N ATOM 64 CA VAL A 6 1.292 1.980 6.470 1.00 0.00 C ATOM 65 C VAL A 6 2.807 1.779 6.615 1.00 0.00 C ATOM 66 O VAL A 6 3.467 2.388 7.452 1.00 0.00 O ATOM 67 CB VAL A 6 0.744 3.266 7.132 1.00 0.00 C ATOM 68 CG1 VAL A 6 0.851 3.320 8.666 1.00 0.00 C ATOM 69 CG2 VAL A 6 1.365 4.531 6.522 1.00 0.00 C ATOM 0 H VAL A 6 0.169 0.976 7.919 1.00 0.00 H new ATOM 0 HA VAL A 6 1.124 2.090 5.399 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.323 3.231 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.439 4.262 9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.292 2.490 9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.898 3.246 8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.954 5.412 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.446 4.509 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.137 4.571 5.457 1.00 0.00 H new ATOM 79 N ILE A 7 3.355 0.907 5.762 1.00 0.00 N ATOM 80 CA ILE A 7 4.781 0.638 5.644 1.00 0.00 C ATOM 81 C ILE A 7 5.192 0.898 4.191 1.00 0.00 C ATOM 82 O ILE A 7 4.568 0.384 3.261 1.00 0.00 O ATOM 83 CB ILE A 7 5.122 -0.788 6.125 1.00 0.00 C ATOM 84 CG1 ILE A 7 6.650 -0.978 6.075 1.00 0.00 C ATOM 85 CG2 ILE A 7 4.428 -1.885 5.299 1.00 0.00 C ATOM 86 CD1 ILE A 7 7.109 -2.233 6.822 1.00 0.00 C ATOM 0 H ILE A 7 2.793 0.353 5.115 1.00 0.00 H new ATOM 0 HA ILE A 7 5.353 1.302 6.292 1.00 0.00 H new ATOM 0 HB ILE A 7 4.752 -0.890 7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.971 -1.040 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.136 -0.103 6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.708 -2.864 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.347 -1.763 5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.737 -1.806 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.194 -2.320 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.814 -2.162 7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.647 -3.113 6.374 1.00 0.00 H new ATOM 98 N ASP A 8 6.232 1.717 4.023 1.00 0.00 N ATOM 99 CA ASP A 8 6.816 2.131 2.755 1.00 0.00 C ATOM 100 C ASP A 8 8.138 1.412 2.511 1.00 0.00 C ATOM 101 O ASP A 8 8.412 0.982 1.394 1.00 0.00 O ATOM 102 CB ASP A 8 7.023 3.657 2.773 1.00 0.00 C ATOM 103 CG ASP A 8 8.011 4.135 3.836 1.00 0.00 C ATOM 104 OD1 ASP A 8 7.980 3.560 4.949 1.00 0.00 O ATOM 105 OD2 ASP A 8 8.789 5.056 3.513 1.00 0.00 O ATOM 0 H ASP A 8 6.715 2.132 4.820 1.00 0.00 H new ATOM 0 HA ASP A 8 6.140 1.867 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.376 3.978 1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.061 4.142 2.940 1.00 0.00 H new ATOM 110 N SER A 9 8.939 1.316 3.573 1.00 0.00 N ATOM 111 CA SER A 9 10.273 0.763 3.668 1.00 0.00 C ATOM 112 C SER A 9 10.710 -0.084 2.470 1.00 0.00 C ATOM 113 O SER A 9 10.230 -1.205 2.303 1.00 0.00 O ATOM 114 CB SER A 9 10.330 -0.048 4.965 1.00 0.00 C ATOM 115 OG SER A 9 9.781 0.734 6.012 1.00 0.00 O ATOM 0 H SER A 9 8.627 1.664 4.480 1.00 0.00 H new ATOM 0 HA SER A 9 10.981 1.592 3.669 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.772 -0.978 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.360 -0.320 5.196 1.00 0.00 H new ATOM 0 HG SER A 9 9.810 0.226 6.849 1.00 0.00 H new ATOM 121 N LYS A 10 11.674 0.432 1.691 1.00 0.00 N ATOM 122 CA LYS A 10 12.253 -0.217 0.513 1.00 0.00 C ATOM 123 C LYS A 10 12.462 -1.715 0.749 1.00 0.00 C ATOM 124 O LYS A 10 12.098 -2.541 -0.078 1.00 0.00 O ATOM 125 CB LYS A 10 13.611 0.412 0.171 1.00 0.00 C ATOM 126 CG LYS A 10 13.536 1.908 -0.147 1.00 0.00 C ATOM 127 CD LYS A 10 14.882 2.404 -0.690 1.00 0.00 C ATOM 128 CE LYS A 10 14.818 3.903 -1.003 1.00 0.00 C ATOM 129 NZ LYS A 10 16.123 4.411 -1.462 1.00 0.00 N ATOM 0 H LYS A 10 12.084 1.348 1.875 1.00 0.00 H new ATOM 0 HA LYS A 10 11.553 -0.076 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.292 0.262 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.038 -0.111 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.750 2.092 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.271 2.465 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.668 2.213 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.143 1.850 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.065 4.085 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.505 4.449 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.047 5.428 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.835 4.259 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.408 3.905 -2.325 1.00 0.00 H new ATOM 143 N ALA A 11 13.045 -2.055 1.899 1.00 0.00 N ATOM 144 CA ALA A 11 13.313 -3.438 2.273 1.00 0.00 C ATOM 145 C ALA A 11 12.028 -4.275 2.259 1.00 0.00 C ATOM 146 O ALA A 11 11.992 -5.353 1.668 1.00 0.00 O ATOM 147 CB ALA A 11 13.961 -3.468 3.661 1.00 0.00 C ATOM 0 H ALA A 11 13.344 -1.374 2.597 1.00 0.00 H new ATOM 0 HA ALA A 11 13.995 -3.875 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.164 -4.500 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.896 -2.908 3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.285 -3.017 4.388 1.00 0.00 H new ATOM 153 N ALA A 12 10.972 -3.776 2.908 1.00 0.00 N ATOM 154 CA ALA A 12 9.686 -4.456 2.975 1.00 0.00 C ATOM 155 C ALA A 12 9.102 -4.555 1.569 1.00 0.00 C ATOM 156 O ALA A 12 8.635 -5.617 1.171 1.00 0.00 O ATOM 157 CB ALA A 12 8.738 -3.701 3.912 1.00 0.00 C ATOM 0 H ALA A 12 10.991 -2.884 3.402 1.00 0.00 H new ATOM 0 HA ALA A 12 9.819 -5.461 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.780 -4.219 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.172 -3.658 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.587 -2.688 3.538 1.00 0.00 H new ATOM 163 N TRP A 13 9.143 -3.443 0.828 1.00 0.00 N ATOM 164 CA TRP A 13 8.692 -3.371 -0.556 1.00 0.00 C ATOM 165 C TRP A 13 9.337 -4.506 -1.368 1.00 0.00 C ATOM 166 O TRP A 13 8.632 -5.346 -1.929 1.00 0.00 O ATOM 167 CB TRP A 13 9.015 -1.967 -1.113 1.00 0.00 C ATOM 168 CG TRP A 13 9.350 -1.881 -2.573 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.592 -1.992 -3.092 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.471 -1.682 -3.718 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.539 -1.998 -4.466 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.251 -1.792 -4.908 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.099 -1.404 -3.877 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.693 -1.670 -6.187 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.543 -1.215 -5.156 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.326 -1.376 -6.312 1.00 0.00 C ATOM 0 H TRP A 13 9.497 -2.555 1.184 1.00 0.00 H new ATOM 0 HA TRP A 13 7.613 -3.510 -0.626 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.159 -1.320 -0.922 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.854 -1.561 -0.547 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.499 -2.066 -2.510 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.345 -2.136 -5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.465 -1.335 -3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.307 -1.800 -7.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.502 -0.943 -5.250 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.879 -1.274 -7.290 1.00 0.00 H new ATOM 187 N ASP A 14 10.672 -4.544 -1.404 1.00 0.00 N ATOM 188 CA ASP A 14 11.441 -5.520 -2.163 1.00 0.00 C ATOM 189 C ASP A 14 11.111 -6.931 -1.698 1.00 0.00 C ATOM 190 O ASP A 14 10.881 -7.817 -2.518 1.00 0.00 O ATOM 191 CB ASP A 14 12.949 -5.255 -2.022 1.00 0.00 C ATOM 192 CG ASP A 14 13.420 -4.016 -2.778 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.018 -3.867 -3.952 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.188 -3.237 -2.171 1.00 0.00 O ATOM 0 H ASP A 14 11.256 -3.881 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 14 11.171 -5.423 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.193 -5.142 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.498 -6.124 -2.385 1.00 0.00 H new ATOM 199 N ALA A 15 11.104 -7.138 -0.380 1.00 0.00 N ATOM 200 CA ALA A 15 10.792 -8.434 0.198 1.00 0.00 C ATOM 201 C ALA A 15 9.441 -8.912 -0.323 1.00 0.00 C ATOM 202 O ALA A 15 9.370 -9.917 -1.025 1.00 0.00 O ATOM 203 CB ALA A 15 10.815 -8.351 1.728 1.00 0.00 C ATOM 0 H ALA A 15 11.314 -6.414 0.307 1.00 0.00 H new ATOM 0 HA ALA A 15 11.547 -9.162 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.580 -9.328 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.806 -8.042 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.076 -7.624 2.064 1.00 0.00 H new ATOM 209 N GLN A 16 8.379 -8.173 -0.007 1.00 0.00 N ATOM 210 CA GLN A 16 7.014 -8.504 -0.392 1.00 0.00 C ATOM 211 C GLN A 16 6.920 -8.761 -1.894 1.00 0.00 C ATOM 212 O GLN A 16 6.358 -9.777 -2.303 1.00 0.00 O ATOM 213 CB GLN A 16 6.063 -7.379 0.030 1.00 0.00 C ATOM 214 CG GLN A 16 5.470 -7.606 1.428 1.00 0.00 C ATOM 215 CD GLN A 16 6.502 -7.667 2.557 1.00 0.00 C ATOM 216 OE1 GLN A 16 7.291 -8.601 2.646 1.00 0.00 O ATOM 217 NE2 GLN A 16 6.472 -6.706 3.474 1.00 0.00 N ATOM 0 H GLN A 16 8.448 -7.311 0.534 1.00 0.00 H new ATOM 0 HA GLN A 16 6.719 -9.420 0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.599 -6.430 0.016 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.254 -7.300 -0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.763 -6.804 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.903 -8.537 1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.809 -5.936 3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.112 -6.738 4.268 1.00 0.00 H new ATOM 226 N LEU A 17 7.485 -7.858 -2.701 1.00 0.00 N ATOM 227 CA LEU A 17 7.494 -7.961 -4.156 1.00 0.00 C ATOM 228 C LEU A 17 8.016 -9.325 -4.637 1.00 0.00 C ATOM 229 O LEU A 17 7.659 -9.744 -5.733 1.00 0.00 O ATOM 230 CB LEU A 17 8.324 -6.797 -4.726 1.00 0.00 C ATOM 231 CG LEU A 17 8.331 -6.677 -6.260 1.00 0.00 C ATOM 232 CD1 LEU A 17 6.934 -6.390 -6.826 1.00 0.00 C ATOM 233 CD2 LEU A 17 9.272 -5.534 -6.658 1.00 0.00 C ATOM 0 H LEU A 17 7.955 -7.023 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 17 6.471 -7.890 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.945 -5.865 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.353 -6.905 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 17 8.667 -7.629 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.990 -6.314 -7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.258 -7.200 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.561 -5.452 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.287 -5.437 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.920 -4.602 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.278 -5.749 -6.299 1.00 0.00 H new ATOM 245 N ALA A 18 8.852 -10.018 -3.853 1.00 0.00 N ATOM 246 CA ALA A 18 9.364 -11.333 -4.217 1.00 0.00 C ATOM 247 C ALA A 18 8.695 -12.437 -3.395 1.00 0.00 C ATOM 248 O ALA A 18 8.055 -13.322 -3.961 1.00 0.00 O ATOM 249 CB ALA A 18 10.884 -11.344 -4.030 1.00 0.00 C ATOM 0 H ALA A 18 9.188 -9.678 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 18 9.129 -11.533 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.277 -12.324 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.335 -10.584 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.124 -11.131 -2.988 1.00 0.00 H new ATOM 255 N LYS A 19 8.828 -12.404 -2.064 1.00 0.00 N ATOM 256 CA LYS A 19 8.292 -13.451 -1.202 1.00 0.00 C ATOM 257 C LYS A 19 6.773 -13.577 -1.327 1.00 0.00 C ATOM 258 O LYS A 19 6.234 -14.631 -0.997 1.00 0.00 O ATOM 259 CB LYS A 19 8.733 -13.255 0.258 1.00 0.00 C ATOM 260 CG LYS A 19 8.224 -11.968 0.919 1.00 0.00 C ATOM 261 CD LYS A 19 7.595 -12.180 2.305 1.00 0.00 C ATOM 262 CE LYS A 19 6.138 -12.664 2.268 1.00 0.00 C ATOM 263 NZ LYS A 19 6.006 -14.085 1.902 1.00 0.00 N ATOM 0 H LYS A 19 9.307 -11.656 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 19 8.712 -14.397 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.389 -14.108 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.822 -13.260 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.054 -11.267 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.486 -11.503 0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.193 -12.906 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.641 -11.243 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.684 -12.504 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.579 -12.059 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.179 -14.492 2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.882 -14.168 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.863 -14.599 2.190 1.00 0.00 H new ATOM 277 N GLY A 20 6.065 -12.534 -1.781 1.00 0.00 N ATOM 278 CA GLY A 20 4.642 -12.640 -2.027 1.00 0.00 C ATOM 279 C GLY A 20 4.348 -13.700 -3.092 1.00 0.00 C ATOM 280 O GLY A 20 3.280 -14.307 -3.047 1.00 0.00 O ATOM 0 H GLY A 20 6.463 -11.616 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.127 -12.897 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.252 -11.675 -2.351 1.00 0.00 H new ATOM 284 N LYS A 21 5.278 -13.922 -4.041 1.00 0.00 N ATOM 285 CA LYS A 21 5.127 -14.856 -5.159 1.00 0.00 C ATOM 286 C LYS A 21 3.742 -14.637 -5.767 1.00 0.00 C ATOM 287 O LYS A 21 2.927 -15.550 -5.888 1.00 0.00 O ATOM 288 CB LYS A 21 5.349 -16.299 -4.685 1.00 0.00 C ATOM 289 CG LYS A 21 6.758 -16.471 -4.105 1.00 0.00 C ATOM 290 CD LYS A 21 7.014 -17.939 -3.745 1.00 0.00 C ATOM 291 CE LYS A 21 8.364 -18.120 -3.040 1.00 0.00 C ATOM 292 NZ LYS A 21 9.494 -17.716 -3.895 1.00 0.00 N ATOM 0 H LYS A 21 6.177 -13.440 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 21 5.878 -14.675 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.606 -16.557 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.208 -16.986 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.500 -16.133 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.871 -15.848 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.214 -18.301 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.991 -18.546 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.375 -17.531 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.484 -19.164 -2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.389 -17.949 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.441 -18.222 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.450 -16.691 -4.067 1.00 0.00 H new ATOM 306 N GLU A 22 3.496 -13.381 -6.136 1.00 0.00 N ATOM 307 CA GLU A 22 2.196 -12.854 -6.503 1.00 0.00 C ATOM 308 C GLU A 22 1.664 -13.293 -7.876 1.00 0.00 C ATOM 309 O GLU A 22 1.064 -12.486 -8.587 1.00 0.00 O ATOM 310 CB GLU A 22 2.247 -11.324 -6.341 1.00 0.00 C ATOM 311 CG GLU A 22 3.179 -10.563 -7.299 1.00 0.00 C ATOM 312 CD GLU A 22 4.636 -10.435 -6.862 1.00 0.00 C ATOM 313 OE1 GLU A 22 5.036 -11.156 -5.920 1.00 0.00 O ATOM 314 OE2 GLU A 22 5.314 -9.583 -7.472 1.00 0.00 O ATOM 0 H GLU A 22 4.233 -12.678 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 22 1.460 -13.289 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.237 -10.934 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.551 -11.099 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.155 -11.061 -8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.776 -9.561 -7.445 1.00 0.00 H new ATOM 321 N GLU A 23 1.805 -14.581 -8.213 1.00 0.00 N ATOM 322 CA GLU A 23 1.300 -15.182 -9.444 1.00 0.00 C ATOM 323 C GLU A 23 -0.156 -14.757 -9.646 1.00 0.00 C ATOM 324 O GLU A 23 -0.525 -14.254 -10.707 1.00 0.00 O ATOM 325 CB GLU A 23 1.444 -16.708 -9.346 1.00 0.00 C ATOM 326 CG GLU A 23 1.059 -17.405 -10.659 1.00 0.00 C ATOM 327 CD GLU A 23 1.208 -18.917 -10.539 1.00 0.00 C ATOM 328 OE1 GLU A 23 0.336 -19.518 -9.876 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.193 -19.442 -11.101 1.00 0.00 O ATOM 0 H GLU A 23 2.289 -15.250 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 23 1.871 -14.843 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.473 -16.960 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.814 -17.081 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.030 -17.157 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.689 -17.037 -11.469 1.00 0.00 H new ATOM 336 N HIS A 24 -0.970 -14.941 -8.602 1.00 0.00 N ATOM 337 CA HIS A 24 -2.355 -14.508 -8.576 1.00 0.00 C ATOM 338 C HIS A 24 -2.638 -13.831 -7.232 1.00 0.00 C ATOM 339 O HIS A 24 -3.494 -14.276 -6.471 1.00 0.00 O ATOM 340 CB HIS A 24 -3.297 -15.694 -8.842 1.00 0.00 C ATOM 341 CG HIS A 24 -4.738 -15.259 -8.930 1.00 0.00 C ATOM 342 ND1 HIS A 24 -5.799 -16.088 -8.560 1.00 0.00 N ATOM 343 CD2 HIS A 24 -5.242 -14.045 -9.308 1.00 0.00 C ATOM 344 CE1 HIS A 24 -6.895 -15.334 -8.728 1.00 0.00 C ATOM 345 NE2 HIS A 24 -6.605 -14.094 -9.149 1.00 0.00 N ATOM 0 H HIS A 24 -0.673 -15.403 -7.742 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.536 -13.783 -9.370 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.009 -16.185 -9.771 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.188 -16.430 -8.045 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -5.751 -17.053 -8.234 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.671 -13.201 -9.666 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.899 -15.686 -8.545 1.00 0.00 H new ATOM 353 N LYS A 25 -1.889 -12.769 -6.917 1.00 0.00 N ATOM 354 CA LYS A 25 -2.099 -11.990 -5.700 1.00 0.00 C ATOM 355 C LYS A 25 -1.963 -10.507 -6.043 1.00 0.00 C ATOM 356 O LYS A 25 -0.958 -10.122 -6.638 1.00 0.00 O ATOM 357 CB LYS A 25 -1.077 -12.357 -4.619 1.00 0.00 C ATOM 358 CG LYS A 25 -1.022 -13.862 -4.344 1.00 0.00 C ATOM 359 CD LYS A 25 -0.266 -14.105 -3.035 1.00 0.00 C ATOM 360 CE LYS A 25 -0.022 -15.598 -2.811 1.00 0.00 C ATOM 361 NZ LYS A 25 1.048 -16.112 -3.687 1.00 0.00 N ATOM 0 H LYS A 25 -1.123 -12.429 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.093 -12.208 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.090 -12.012 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.326 -11.832 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.031 -14.269 -4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.525 -14.377 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.687 -13.577 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.836 -13.697 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.246 -15.771 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.943 -16.150 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.244 -17.105 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.745 -16.047 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.910 -15.546 -3.550 1.00 0.00 H new ATOM 375 N PRO A 26 -2.939 -9.654 -5.714 1.00 0.00 N ATOM 376 CA PRO A 26 -2.819 -8.241 -6.006 1.00 0.00 C ATOM 377 C PRO A 26 -1.833 -7.538 -5.069 1.00 0.00 C ATOM 378 O PRO A 26 -2.133 -7.294 -3.897 1.00 0.00 O ATOM 379 CB PRO A 26 -4.235 -7.664 -5.927 1.00 0.00 C ATOM 380 CG PRO A 26 -5.035 -8.690 -5.126 1.00 0.00 C ATOM 381 CD PRO A 26 -4.286 -10.009 -5.304 1.00 0.00 C ATOM 0 HA PRO A 26 -2.401 -8.080 -7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.238 -6.691 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.659 -7.521 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.094 -8.409 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.058 -8.766 -5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.273 -10.579 -4.375 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.770 -10.634 -6.054 1.00 0.00 H new ATOM 389 N ILE A 27 -0.642 -7.216 -5.586 1.00 0.00 N ATOM 390 CA ILE A 27 0.256 -6.292 -4.910 1.00 0.00 C ATOM 391 C ILE A 27 -0.227 -4.942 -5.401 1.00 0.00 C ATOM 392 O ILE A 27 -0.211 -4.697 -6.605 1.00 0.00 O ATOM 393 CB ILE A 27 1.733 -6.528 -5.252 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.133 -7.894 -4.693 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.605 -5.406 -4.663 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.636 -8.165 -4.750 1.00 0.00 C ATOM 0 H ILE A 27 -0.284 -7.584 -6.468 1.00 0.00 H new ATOM 0 HA ILE A 27 0.227 -6.401 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 27 1.882 -6.517 -6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.799 -7.965 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.611 -8.672 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.650 -5.588 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.293 -4.447 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.490 -5.387 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.844 -9.152 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.974 -8.127 -5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.164 -7.409 -4.168 1.00 0.00 H new ATOM 408 N VAL A 28 -0.684 -4.095 -4.486 1.00 0.00 N ATOM 409 CA VAL A 28 -1.265 -2.804 -4.798 1.00 0.00 C ATOM 410 C VAL A 28 -0.365 -1.779 -4.139 1.00 0.00 C ATOM 411 O VAL A 28 -0.142 -1.837 -2.930 1.00 0.00 O ATOM 412 CB VAL A 28 -2.717 -2.717 -4.298 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.381 -1.461 -4.880 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.523 -3.947 -4.733 1.00 0.00 C ATOM 0 H VAL A 28 -0.658 -4.295 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.321 -2.631 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.701 -2.672 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.410 -1.397 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.831 -0.576 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.373 -1.517 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.546 -3.860 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.532 -4.010 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.065 -4.846 -4.321 1.00 0.00 H new ATOM 424 N VAL A 29 0.176 -0.865 -4.937 1.00 0.00 N ATOM 425 CA VAL A 29 1.119 0.126 -4.483 1.00 0.00 C ATOM 426 C VAL A 29 0.486 1.503 -4.537 1.00 0.00 C ATOM 427 O VAL A 29 0.253 2.018 -5.628 1.00 0.00 O ATOM 428 CB VAL A 29 2.374 0.132 -5.363 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.479 0.753 -4.511 1.00 0.00 C ATOM 430 CG2 VAL A 29 2.759 -1.252 -5.889 1.00 0.00 C ATOM 0 H VAL A 29 -0.038 -0.799 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 29 1.399 -0.122 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 29 2.194 0.710 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.405 0.786 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.193 1.765 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.629 0.151 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.656 -1.171 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.954 -1.919 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.943 -1.653 -6.489 1.00 0.00 H new ATOM 440 N ASP A 30 0.224 2.094 -3.376 1.00 0.00 N ATOM 441 CA ASP A 30 -0.201 3.475 -3.293 1.00 0.00 C ATOM 442 C ASP A 30 1.083 4.288 -3.210 1.00 0.00 C ATOM 443 O ASP A 30 1.648 4.441 -2.124 1.00 0.00 O ATOM 444 CB ASP A 30 -1.081 3.697 -2.063 1.00 0.00 C ATOM 445 CG ASP A 30 -1.461 5.160 -1.864 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.359 5.928 -2.846 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.842 5.487 -0.719 1.00 0.00 O ATOM 0 H ASP A 30 0.302 1.626 -2.473 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.803 3.770 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.988 3.101 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.556 3.339 -1.177 1.00 0.00 H new ATOM 452 N PHE A 31 1.581 4.742 -4.360 1.00 0.00 N ATOM 453 CA PHE A 31 2.738 5.613 -4.390 1.00 0.00 C ATOM 454 C PHE A 31 2.198 6.996 -4.050 1.00 0.00 C ATOM 455 O PHE A 31 1.683 7.683 -4.930 1.00 0.00 O ATOM 456 CB PHE A 31 3.416 5.593 -5.760 1.00 0.00 C ATOM 457 CG PHE A 31 4.195 4.330 -6.065 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.526 4.219 -5.623 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.661 3.349 -6.922 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.345 3.181 -6.097 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.487 2.316 -7.403 1.00 0.00 C ATOM 462 CZ PHE A 31 5.830 2.237 -7.001 1.00 0.00 C ATOM 0 H PHE A 31 1.197 4.517 -5.278 1.00 0.00 H new ATOM 0 HA PHE A 31 3.506 5.295 -3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.655 5.728 -6.528 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.092 6.445 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.920 4.935 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.621 3.389 -7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.371 3.109 -5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.086 1.581 -8.085 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.465 1.453 -7.386 1.00 0.00 H new ATOM 472 N THR A 32 2.262 7.362 -2.771 1.00 0.00 N ATOM 473 CA THR A 32 1.750 8.611 -2.226 1.00 0.00 C ATOM 474 C THR A 32 2.920 9.427 -1.680 1.00 0.00 C ATOM 475 O THR A 32 4.071 9.138 -1.996 1.00 0.00 O ATOM 476 CB THR A 32 0.674 8.295 -1.172 1.00 0.00 C ATOM 477 OG1 THR A 32 0.134 9.505 -0.686 1.00 0.00 O ATOM 478 CG2 THR A 32 1.209 7.477 0.010 1.00 0.00 C ATOM 0 H THR A 32 2.690 6.770 -2.060 1.00 0.00 H new ATOM 0 HA THR A 32 1.269 9.218 -2.993 1.00 0.00 H new ATOM 0 HB THR A 32 -0.087 7.689 -1.664 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.754 9.338 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.401 7.288 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.603 6.528 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.004 8.033 0.507 1.00 0.00 H new ATOM 486 N ALA A 33 2.651 10.455 -0.874 1.00 0.00 N ATOM 487 CA ALA A 33 3.693 11.269 -0.278 1.00 0.00 C ATOM 488 C ALA A 33 3.201 11.905 1.017 1.00 0.00 C ATOM 489 O ALA A 33 2.030 12.262 1.138 1.00 0.00 O ATOM 490 CB ALA A 33 4.142 12.354 -1.257 1.00 0.00 C ATOM 0 H ALA A 33 1.705 10.740 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 33 4.543 10.626 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.924 12.958 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.529 11.889 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.294 12.990 -1.509 1.00 0.00 H new ATOM 496 N THR A 34 4.120 12.077 1.963 1.00 0.00 N ATOM 497 CA THR A 34 3.866 12.631 3.281 1.00 0.00 C ATOM 498 C THR A 34 3.410 14.095 3.225 1.00 0.00 C ATOM 499 O THR A 34 2.473 14.494 3.911 1.00 0.00 O ATOM 500 CB THR A 34 5.175 12.512 4.083 1.00 0.00 C ATOM 501 OG1 THR A 34 5.726 11.223 3.897 1.00 0.00 O ATOM 502 CG2 THR A 34 4.947 12.735 5.578 1.00 0.00 C ATOM 0 H THR A 34 5.098 11.823 1.823 1.00 0.00 H new ATOM 0 HA THR A 34 3.054 12.078 3.753 1.00 0.00 H new ATOM 0 HB THR A 34 5.856 13.281 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.647 11.305 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.895 12.643 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.537 13.732 5.739 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.246 11.990 5.954 1.00 0.00 H new ATOM 510 N TRP A 35 4.108 14.903 2.425 1.00 0.00 N ATOM 511 CA TRP A 35 3.953 16.351 2.394 1.00 0.00 C ATOM 512 C TRP A 35 2.614 16.847 1.835 1.00 0.00 C ATOM 513 O TRP A 35 1.997 17.728 2.432 1.00 0.00 O ATOM 514 CB TRP A 35 5.130 16.954 1.614 1.00 0.00 C ATOM 515 CG TRP A 35 5.273 16.530 0.182 1.00 0.00 C ATOM 516 CD1 TRP A 35 5.879 15.401 -0.247 1.00 0.00 C ATOM 517 CD2 TRP A 35 4.824 17.222 -1.023 1.00 0.00 C ATOM 518 NE1 TRP A 35 5.815 15.326 -1.624 1.00 0.00 N ATOM 519 CE2 TRP A 35 5.173 16.427 -2.154 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.160 18.442 -1.276 1.00 0.00 C ATOM 521 CZ2 TRP A 35 4.873 16.817 -3.468 1.00 0.00 C ATOM 522 CZ3 TRP A 35 3.865 18.849 -2.591 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.213 18.037 -3.685 1.00 0.00 C ATOM 0 H TRP A 35 4.809 14.559 1.769 1.00 0.00 H new ATOM 0 HA TRP A 35 3.953 16.689 3.430 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.036 18.040 1.640 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.052 16.701 2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.345 14.666 0.393 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.193 14.557 -2.178 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.874 19.073 -0.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.146 16.187 -4.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.367 19.792 -2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.973 18.351 -4.690 1.00 0.00 H new ATOM 534 N CYS A 36 2.158 16.332 0.688 1.00 0.00 N ATOM 535 CA CYS A 36 0.952 16.846 0.032 1.00 0.00 C ATOM 536 C CYS A 36 -0.330 16.346 0.701 1.00 0.00 C ATOM 537 O CYS A 36 -1.133 15.681 0.061 1.00 0.00 O ATOM 538 CB CYS A 36 0.973 16.558 -1.482 1.00 0.00 C ATOM 539 SG CYS A 36 1.378 14.898 -2.087 1.00 0.00 S ATOM 0 H CYS A 36 2.606 15.560 0.195 1.00 0.00 H new ATOM 0 HA CYS A 36 0.954 17.929 0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.012 16.814 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.685 17.249 -1.933 1.00 0.00 H new ATOM 544 N GLY A 37 -0.545 16.741 1.963 1.00 0.00 N ATOM 545 CA GLY A 37 -1.696 16.471 2.831 1.00 0.00 C ATOM 546 C GLY A 37 -2.678 15.410 2.312 1.00 0.00 C ATOM 547 O GLY A 37 -2.582 14.261 2.744 1.00 0.00 O ATOM 0 H GLY A 37 0.149 17.311 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.327 16.154 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.241 17.403 2.983 1.00 0.00 H new ATOM 551 N PRO A 38 -3.634 15.762 1.428 1.00 0.00 N ATOM 552 CA PRO A 38 -4.591 14.831 0.833 1.00 0.00 C ATOM 553 C PRO A 38 -3.968 13.486 0.451 1.00 0.00 C ATOM 554 O PRO A 38 -4.510 12.429 0.765 1.00 0.00 O ATOM 555 CB PRO A 38 -5.160 15.564 -0.383 1.00 0.00 C ATOM 556 CG PRO A 38 -5.150 17.018 0.084 1.00 0.00 C ATOM 557 CD PRO A 38 -3.865 17.105 0.911 1.00 0.00 C ATOM 0 HA PRO A 38 -5.367 14.564 1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.546 15.417 -1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.165 15.223 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.137 17.712 -0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.031 17.256 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.027 17.438 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.971 17.824 1.723 1.00 0.00 H new ATOM 565 N CYS A 39 -2.807 13.540 -0.206 1.00 0.00 N ATOM 566 CA CYS A 39 -2.000 12.390 -0.589 1.00 0.00 C ATOM 567 C CYS A 39 -1.878 11.431 0.592 1.00 0.00 C ATOM 568 O CYS A 39 -2.141 10.235 0.477 1.00 0.00 O ATOM 569 CB CYS A 39 -0.589 12.853 -0.982 1.00 0.00 C ATOM 570 SG CYS A 39 -0.428 13.916 -2.432 1.00 0.00 S ATOM 0 H CYS A 39 -2.391 14.425 -0.495 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.479 11.891 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.160 13.381 -0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.021 11.965 -1.148 1.00 0.00 H new ATOM 575 N LYS A 40 -1.473 11.971 1.743 1.00 0.00 N ATOM 576 CA LYS A 40 -1.270 11.192 2.944 1.00 0.00 C ATOM 577 C LYS A 40 -2.617 10.767 3.522 1.00 0.00 C ATOM 578 O LYS A 40 -2.758 9.622 3.931 1.00 0.00 O ATOM 579 CB LYS A 40 -0.419 11.994 3.939 1.00 0.00 C ATOM 580 CG LYS A 40 0.133 11.151 5.097 1.00 0.00 C ATOM 581 CD LYS A 40 0.944 9.942 4.603 1.00 0.00 C ATOM 582 CE LYS A 40 1.841 9.385 5.713 1.00 0.00 C ATOM 583 NZ LYS A 40 2.600 8.215 5.240 1.00 0.00 N ATOM 0 H LYS A 40 -1.279 12.966 1.858 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.722 10.278 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.414 12.452 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.021 12.806 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.764 11.775 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.694 10.803 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.265 9.163 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.556 10.235 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.531 10.158 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.231 9.105 6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.433 8.073 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.995 7.370 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.909 8.375 4.260 1.00 0.00 H new ATOM 597 N MET A 41 -3.616 11.654 3.531 1.00 0.00 N ATOM 598 CA MET A 41 -4.955 11.346 4.049 1.00 0.00 C ATOM 599 C MET A 41 -5.624 10.203 3.281 1.00 0.00 C ATOM 600 O MET A 41 -6.471 9.501 3.831 1.00 0.00 O ATOM 601 CB MET A 41 -5.836 12.602 4.034 1.00 0.00 C ATOM 602 CG MET A 41 -5.296 13.712 4.943 1.00 0.00 C ATOM 603 SD MET A 41 -5.197 13.295 6.703 1.00 0.00 S ATOM 604 CE MET A 41 -4.450 14.811 7.335 1.00 0.00 C ATOM 0 H MET A 41 -3.521 12.607 3.180 1.00 0.00 H new ATOM 0 HA MET A 41 -4.837 11.010 5.079 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.910 12.977 3.013 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.845 12.337 4.350 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.301 13.990 4.596 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.930 14.591 4.830 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.316 14.728 8.414 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.481 14.965 6.859 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.101 15.657 7.114 1.00 0.00 H new ATOM 614 N ILE A 42 -5.243 9.984 2.024 1.00 0.00 N ATOM 615 CA ILE A 42 -5.740 8.848 1.261 1.00 0.00 C ATOM 616 C ILE A 42 -5.136 7.540 1.809 1.00 0.00 C ATOM 617 O ILE A 42 -5.767 6.486 1.707 1.00 0.00 O ATOM 618 CB ILE A 42 -5.442 9.084 -0.230 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.383 10.185 -0.755 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.647 7.804 -1.048 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.838 10.851 -2.019 1.00 0.00 C ATOM 0 H ILE A 42 -4.591 10.581 1.515 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.820 8.749 1.365 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.400 9.388 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.362 9.755 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.526 10.939 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.429 8.004 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.978 7.026 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.680 7.471 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.534 11.620 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.871 11.305 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.720 10.103 -2.803 1.00 0.00 H new ATOM 633 N ALA A 43 -3.943 7.578 2.419 1.00 0.00 N ATOM 634 CA ALA A 43 -3.315 6.373 2.952 1.00 0.00 C ATOM 635 C ALA A 43 -4.242 5.682 3.970 1.00 0.00 C ATOM 636 O ALA A 43 -4.482 4.495 3.787 1.00 0.00 O ATOM 637 CB ALA A 43 -1.900 6.656 3.475 1.00 0.00 C ATOM 0 H ALA A 43 -3.399 8.430 2.553 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.175 5.658 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.465 5.735 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.281 7.035 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.948 7.399 4.271 1.00 0.00 H new ATOM 643 N PRO A 44 -4.795 6.345 5.008 1.00 0.00 N ATOM 644 CA PRO A 44 -5.799 5.762 5.891 1.00 0.00 C ATOM 645 C PRO A 44 -6.928 5.048 5.146 1.00 0.00 C ATOM 646 O PRO A 44 -7.339 3.955 5.530 1.00 0.00 O ATOM 647 CB PRO A 44 -6.365 6.926 6.703 1.00 0.00 C ATOM 648 CG PRO A 44 -5.178 7.869 6.827 1.00 0.00 C ATOM 649 CD PRO A 44 -4.376 7.628 5.548 1.00 0.00 C ATOM 0 HA PRO A 44 -5.335 4.995 6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.205 7.400 6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.724 6.600 7.679 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.500 8.907 6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.586 7.650 7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.555 8.425 4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.307 7.625 5.760 1.00 0.00 H new ATOM 657 N LEU A 45 -7.446 5.666 4.082 1.00 0.00 N ATOM 658 CA LEU A 45 -8.521 5.055 3.303 1.00 0.00 C ATOM 659 C LEU A 45 -8.026 3.719 2.746 1.00 0.00 C ATOM 660 O LEU A 45 -8.611 2.665 2.991 1.00 0.00 O ATOM 661 CB LEU A 45 -8.986 5.980 2.167 1.00 0.00 C ATOM 662 CG LEU A 45 -9.447 7.374 2.627 1.00 0.00 C ATOM 663 CD1 LEU A 45 -9.968 8.145 1.408 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.553 7.301 3.686 1.00 0.00 C ATOM 0 H LEU A 45 -7.141 6.579 3.744 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.381 4.888 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.170 6.098 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.806 5.497 1.635 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.593 7.879 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.299 9.136 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.171 8.243 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.805 7.605 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.844 8.310 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.417 6.779 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.186 6.762 4.559 1.00 0.00 H new ATOM 676 N PHE A 46 -6.904 3.762 2.031 1.00 0.00 N ATOM 677 CA PHE A 46 -6.275 2.576 1.463 1.00 0.00 C ATOM 678 C PHE A 46 -5.953 1.557 2.572 1.00 0.00 C ATOM 679 O PHE A 46 -6.068 0.349 2.366 1.00 0.00 O ATOM 680 CB PHE A 46 -5.048 3.053 0.682 1.00 0.00 C ATOM 681 CG PHE A 46 -4.215 1.996 -0.022 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.760 1.161 -1.015 1.00 0.00 C ATOM 683 CD2 PHE A 46 -2.830 1.977 0.201 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.914 0.343 -1.791 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.001 1.082 -0.496 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.532 0.301 -1.530 1.00 0.00 C ATOM 0 H PHE A 46 -6.404 4.628 1.829 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.937 2.046 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.383 3.772 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.397 3.591 1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.827 1.147 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.396 2.659 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.329 -0.254 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.957 0.997 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.885 -0.329 -2.123 1.00 0.00 H new ATOM 696 N GLU A 47 -5.590 2.029 3.770 1.00 0.00 N ATOM 697 CA GLU A 47 -5.311 1.199 4.935 1.00 0.00 C ATOM 698 C GLU A 47 -6.604 0.547 5.433 1.00 0.00 C ATOM 699 O GLU A 47 -6.584 -0.588 5.899 1.00 0.00 O ATOM 700 CB GLU A 47 -4.617 2.030 6.021 1.00 0.00 C ATOM 701 CG GLU A 47 -3.969 1.128 7.084 1.00 0.00 C ATOM 702 CD GLU A 47 -2.974 1.893 7.954 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.288 3.054 8.296 1.00 0.00 O ATOM 704 OE2 GLU A 47 -1.907 1.308 8.248 1.00 0.00 O ATOM 0 H GLU A 47 -5.481 3.026 3.955 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.627 0.395 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.856 2.664 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.342 2.692 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.746 0.696 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.459 0.299 6.594 1.00 0.00 H new ATOM 711 N THR A 48 -7.741 1.236 5.320 1.00 0.00 N ATOM 712 CA THR A 48 -9.026 0.647 5.669 1.00 0.00 C ATOM 713 C THR A 48 -9.254 -0.537 4.721 1.00 0.00 C ATOM 714 O THR A 48 -9.554 -1.643 5.166 1.00 0.00 O ATOM 715 CB THR A 48 -10.145 1.697 5.590 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.783 2.844 6.337 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.449 1.143 6.172 1.00 0.00 C ATOM 0 H THR A 48 -7.794 2.200 4.990 1.00 0.00 H new ATOM 0 HA THR A 48 -9.032 0.289 6.699 1.00 0.00 H new ATOM 0 HB THR A 48 -10.290 1.954 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.012 3.279 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.228 1.902 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.753 0.261 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.295 0.871 7.216 1.00 0.00 H new ATOM 725 N LEU A 49 -9.044 -0.335 3.415 1.00 0.00 N ATOM 726 CA LEU A 49 -9.163 -1.442 2.472 1.00 0.00 C ATOM 727 C LEU A 49 -8.158 -2.542 2.831 1.00 0.00 C ATOM 728 O LEU A 49 -8.500 -3.717 2.748 1.00 0.00 O ATOM 729 CB LEU A 49 -8.964 -0.984 1.023 1.00 0.00 C ATOM 730 CG LEU A 49 -10.151 -0.254 0.381 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.461 -1.037 0.525 1.00 0.00 C ATOM 732 CD2 LEU A 49 -10.342 1.182 0.874 1.00 0.00 C ATOM 0 H LEU A 49 -8.797 0.563 2.999 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.175 -1.839 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.095 -0.327 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.728 -1.858 0.415 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.891 -0.193 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.271 -0.480 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.360 -2.008 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.685 -1.181 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.201 1.628 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.513 1.177 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.449 1.765 0.651 1.00 0.00 H new ATOM 744 N SER A 50 -6.940 -2.172 3.237 1.00 0.00 N ATOM 745 CA SER A 50 -5.933 -3.128 3.705 1.00 0.00 C ATOM 746 C SER A 50 -6.519 -3.996 4.823 1.00 0.00 C ATOM 747 O SER A 50 -6.469 -5.220 4.750 1.00 0.00 O ATOM 748 CB SER A 50 -4.655 -2.413 4.160 1.00 0.00 C ATOM 749 OG SER A 50 -4.189 -1.474 3.211 1.00 0.00 O ATOM 0 H SER A 50 -6.625 -1.202 3.250 1.00 0.00 H new ATOM 0 HA SER A 50 -5.655 -3.777 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.845 -1.905 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.876 -3.153 4.346 1.00 0.00 H new ATOM 0 HG SER A 50 -4.437 -1.769 2.310 1.00 0.00 H new ATOM 755 N ASN A 51 -7.092 -3.361 5.849 1.00 0.00 N ATOM 756 CA ASN A 51 -7.744 -4.057 6.952 1.00 0.00 C ATOM 757 C ASN A 51 -8.821 -5.003 6.421 1.00 0.00 C ATOM 758 O ASN A 51 -8.900 -6.153 6.844 1.00 0.00 O ATOM 759 CB ASN A 51 -8.355 -3.031 7.922 1.00 0.00 C ATOM 760 CG ASN A 51 -9.407 -3.650 8.842 1.00 0.00 C ATOM 761 OD1 ASN A 51 -9.087 -4.089 9.941 1.00 0.00 O ATOM 762 ND2 ASN A 51 -10.673 -3.679 8.427 1.00 0.00 N ATOM 0 H ASN A 51 -7.115 -2.345 5.935 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.004 -4.651 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.562 -2.590 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.808 -2.221 7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.398 -4.072 9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.917 -3.308 7.509 1.00 0.00 H new ATOM 769 N ASP A 52 -9.659 -4.507 5.510 1.00 0.00 N ATOM 770 CA ASP A 52 -10.777 -5.269 4.971 1.00 0.00 C ATOM 771 C ASP A 52 -10.265 -6.491 4.200 1.00 0.00 C ATOM 772 O ASP A 52 -10.495 -7.633 4.594 1.00 0.00 O ATOM 773 CB ASP A 52 -11.648 -4.356 4.091 1.00 0.00 C ATOM 774 CG ASP A 52 -12.156 -3.112 4.823 1.00 0.00 C ATOM 775 OD1 ASP A 52 -12.104 -3.101 6.075 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.580 -2.179 4.106 1.00 0.00 O ATOM 0 H ASP A 52 -9.578 -3.565 5.127 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.397 -5.639 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.071 -4.046 3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.501 -4.925 3.722 1.00 0.00 H new ATOM 781 N TYR A 53 -9.552 -6.263 3.097 1.00 0.00 N ATOM 782 CA TYR A 53 -8.964 -7.309 2.272 1.00 0.00 C ATOM 783 C TYR A 53 -7.661 -7.787 2.928 1.00 0.00 C ATOM 784 O TYR A 53 -6.591 -7.722 2.325 1.00 0.00 O ATOM 785 CB TYR A 53 -8.694 -6.754 0.870 1.00 0.00 C ATOM 786 CG TYR A 53 -9.896 -6.431 0.002 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.400 -7.421 -0.861 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.280 -5.089 -0.187 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.233 -7.068 -1.936 1.00 0.00 C ATOM 790 CE2 TYR A 53 -11.090 -4.731 -1.280 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.555 -5.720 -2.164 1.00 0.00 C ATOM 792 OH TYR A 53 -12.243 -5.374 -3.289 1.00 0.00 O ATOM 0 H TYR A 53 -9.365 -5.323 2.748 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.647 -8.154 2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.102 -5.845 0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.077 -7.476 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.145 -8.458 -0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.951 -4.332 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.626 -7.834 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.355 -3.696 -1.440 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.388 -4.405 -3.299 1.00 0.00 H new ATOM 802 N ALA A 54 -7.758 -8.306 4.154 1.00 0.00 N ATOM 803 CA ALA A 54 -6.606 -8.757 4.927 1.00 0.00 C ATOM 804 C ALA A 54 -5.855 -9.919 4.262 1.00 0.00 C ATOM 805 O ALA A 54 -4.659 -10.081 4.499 1.00 0.00 O ATOM 806 CB ALA A 54 -7.081 -9.187 6.317 1.00 0.00 C ATOM 0 H ALA A 54 -8.647 -8.425 4.639 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.907 -7.923 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.228 -9.526 6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.553 -8.342 6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.801 -10.000 6.220 1.00 0.00 H new ATOM 812 N GLY A 55 -6.558 -10.725 3.455 1.00 0.00 N ATOM 813 CA GLY A 55 -6.072 -11.947 2.822 1.00 0.00 C ATOM 814 C GLY A 55 -4.893 -11.786 1.852 1.00 0.00 C ATOM 815 O GLY A 55 -3.927 -11.070 2.124 1.00 0.00 O ATOM 0 H GLY A 55 -7.530 -10.527 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.778 -12.645 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.900 -12.405 2.281 1.00 0.00 H new ATOM 819 N LYS A 56 -4.964 -12.468 0.703 1.00 0.00 N ATOM 820 CA LYS A 56 -3.890 -12.563 -0.286 1.00 0.00 C ATOM 821 C LYS A 56 -3.638 -11.268 -1.080 1.00 0.00 C ATOM 822 O LYS A 56 -3.360 -11.332 -2.273 1.00 0.00 O ATOM 823 CB LYS A 56 -4.217 -13.729 -1.239 1.00 0.00 C ATOM 824 CG LYS A 56 -5.497 -13.499 -2.069 1.00 0.00 C ATOM 825 CD LYS A 56 -5.353 -14.093 -3.479 1.00 0.00 C ATOM 826 CE LYS A 56 -6.461 -13.573 -4.402 1.00 0.00 C ATOM 827 NZ LYS A 56 -6.324 -14.104 -5.771 1.00 0.00 N ATOM 0 H LYS A 56 -5.799 -12.985 0.429 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.962 -12.740 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.376 -13.883 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.329 -14.644 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.349 -13.954 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.702 -12.431 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.378 -13.833 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.397 -15.181 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.433 -13.855 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.431 -12.484 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.918 -13.549 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.330 -14.039 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.627 -15.099 -5.789 1.00 0.00 H new ATOM 841 N VAL A 57 -3.722 -10.099 -0.446 1.00 0.00 N ATOM 842 CA VAL A 57 -3.514 -8.805 -1.077 1.00 0.00 C ATOM 843 C VAL A 57 -2.378 -8.117 -0.328 1.00 0.00 C ATOM 844 O VAL A 57 -2.345 -8.198 0.903 1.00 0.00 O ATOM 845 CB VAL A 57 -4.805 -7.976 -0.991 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.669 -6.678 -1.802 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.033 -8.788 -1.431 1.00 0.00 C ATOM 0 H VAL A 57 -3.943 -10.029 0.547 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.258 -8.914 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.960 -7.708 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.593 -6.105 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.843 -6.087 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.474 -6.920 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.926 -8.167 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.903 -9.114 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.142 -9.660 -0.786 1.00 0.00 H new ATOM 857 N ILE A 58 -1.448 -7.475 -1.043 1.00 0.00 N ATOM 858 CA ILE A 58 -0.355 -6.742 -0.405 1.00 0.00 C ATOM 859 C ILE A 58 -0.620 -5.253 -0.654 1.00 0.00 C ATOM 860 O ILE A 58 -0.484 -4.799 -1.787 1.00 0.00 O ATOM 861 CB ILE A 58 1.019 -7.174 -0.963 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.238 -8.702 -1.035 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.127 -6.528 -0.124 1.00 0.00 C ATOM 864 CD1 ILE A 58 1.073 -9.447 0.292 1.00 0.00 C ATOM 0 H ILE A 58 -1.432 -7.449 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.321 -6.954 0.664 1.00 0.00 H new ATOM 0 HB ILE A 58 1.049 -6.829 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.537 -9.120 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.241 -8.892 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.100 -6.829 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.036 -5.443 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.034 -6.852 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.247 -10.512 0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.792 -9.064 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.062 -9.296 0.671 1.00 0.00 H new ATOM 876 N PHE A 59 -1.013 -4.500 0.379 1.00 0.00 N ATOM 877 CA PHE A 59 -1.266 -3.069 0.274 1.00 0.00 C ATOM 878 C PHE A 59 -0.029 -2.332 0.745 1.00 0.00 C ATOM 879 O PHE A 59 0.294 -2.297 1.931 1.00 0.00 O ATOM 880 CB PHE A 59 -2.467 -2.633 1.111 1.00 0.00 C ATOM 881 CG PHE A 59 -3.825 -3.077 0.616 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.239 -4.411 0.768 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.758 -2.106 0.216 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.570 -4.763 0.488 1.00 0.00 C ATOM 885 CE2 PHE A 59 -6.043 -2.481 -0.197 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.461 -3.810 -0.037 1.00 0.00 C ATOM 0 H PHE A 59 -1.164 -4.874 1.316 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.494 -2.834 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.332 -3.010 2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.464 -1.545 1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.537 -5.162 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.482 -1.062 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.911 -5.770 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.707 -1.751 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.463 -4.100 -0.316 1.00 0.00 H new ATOM 896 N LEU A 60 0.636 -1.712 -0.218 1.00 0.00 N ATOM 897 CA LEU A 60 1.927 -1.098 -0.059 1.00 0.00 C ATOM 898 C LEU A 60 1.816 0.421 -0.154 1.00 0.00 C ATOM 899 O LEU A 60 1.602 0.979 -1.227 1.00 0.00 O ATOM 900 CB LEU A 60 2.799 -1.746 -1.141 1.00 0.00 C ATOM 901 CG LEU A 60 3.917 -2.550 -0.483 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.421 -3.572 -1.491 1.00 0.00 C ATOM 903 CD2 LEU A 60 5.049 -1.649 0.026 1.00 0.00 C ATOM 0 H LEU A 60 0.269 -1.624 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 60 2.375 -1.261 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.192 -2.396 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.222 -0.979 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 60 3.528 -3.061 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.222 -4.160 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.603 -4.233 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.799 -3.056 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.823 -2.263 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.476 -1.094 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.654 -0.950 0.763 1.00 0.00 H new ATOM 915 N LYS A 61 1.920 1.088 0.996 1.00 0.00 N ATOM 916 CA LYS A 61 1.853 2.544 1.106 1.00 0.00 C ATOM 917 C LYS A 61 3.257 3.101 0.923 1.00 0.00 C ATOM 918 O LYS A 61 3.998 3.246 1.891 1.00 0.00 O ATOM 919 CB LYS A 61 1.234 2.925 2.458 1.00 0.00 C ATOM 920 CG LYS A 61 -0.285 2.884 2.286 1.00 0.00 C ATOM 921 CD LYS A 61 -1.092 2.838 3.589 1.00 0.00 C ATOM 922 CE LYS A 61 -1.364 1.387 4.001 1.00 0.00 C ATOM 923 NZ LYS A 61 -2.395 0.758 3.158 1.00 0.00 N ATOM 0 H LYS A 61 2.056 0.622 1.893 1.00 0.00 H new ATOM 0 HA LYS A 61 1.216 2.974 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.552 2.231 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.560 3.919 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.593 3.762 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.543 2.010 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.545 3.351 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.035 3.368 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.440 0.812 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.682 1.360 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.634 -0.179 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.246 1.355 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.034 0.653 2.188 1.00 0.00 H new ATOM 937 N VAL A 62 3.622 3.409 -0.322 1.00 0.00 N ATOM 938 CA VAL A 62 4.958 3.862 -0.660 1.00 0.00 C ATOM 939 C VAL A 62 4.994 5.394 -0.690 1.00 0.00 C ATOM 940 O VAL A 62 4.514 6.024 -1.631 1.00 0.00 O ATOM 941 CB VAL A 62 5.397 3.203 -1.983 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.808 3.660 -2.364 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.432 1.677 -1.820 1.00 0.00 C ATOM 0 H VAL A 62 2.992 3.349 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 62 5.679 3.556 0.098 1.00 0.00 H new ATOM 0 HB VAL A 62 4.685 3.493 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.104 3.186 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.819 4.743 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.507 3.377 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.743 1.218 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.139 1.411 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.439 1.317 -1.551 1.00 0.00 H new ATOM 953 N ASP A 63 5.559 6.002 0.356 1.00 0.00 N ATOM 954 CA ASP A 63 5.756 7.443 0.436 1.00 0.00 C ATOM 955 C ASP A 63 6.957 7.799 -0.441 1.00 0.00 C ATOM 956 O ASP A 63 8.100 7.624 -0.020 1.00 0.00 O ATOM 957 CB ASP A 63 5.989 7.867 1.891 1.00 0.00 C ATOM 958 CG ASP A 63 4.722 7.721 2.721 1.00 0.00 C ATOM 959 OD1 ASP A 63 3.842 8.601 2.583 1.00 0.00 O ATOM 960 OD2 ASP A 63 4.642 6.724 3.469 1.00 0.00 O ATOM 0 H ASP A 63 5.894 5.498 1.177 1.00 0.00 H new ATOM 0 HA ASP A 63 4.871 7.972 0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.783 7.260 2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.328 8.903 1.920 1.00 0.00 H new ATOM 965 N VAL A 64 6.714 8.296 -1.658 1.00 0.00 N ATOM 966 CA VAL A 64 7.762 8.609 -2.626 1.00 0.00 C ATOM 967 C VAL A 64 8.814 9.561 -2.050 1.00 0.00 C ATOM 968 O VAL A 64 9.984 9.460 -2.405 1.00 0.00 O ATOM 969 CB VAL A 64 7.163 9.175 -3.928 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.125 8.222 -4.535 1.00 0.00 C ATOM 971 CG2 VAL A 64 6.559 10.574 -3.760 1.00 0.00 C ATOM 0 H VAL A 64 5.773 8.493 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 64 8.269 7.673 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 64 8.003 9.268 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.725 8.656 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.597 7.266 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.314 8.066 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.155 10.913 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.760 10.539 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.332 11.266 -3.427 1.00 0.00 H new ATOM 981 N ASP A 65 8.424 10.483 -1.161 1.00 0.00 N ATOM 982 CA ASP A 65 9.373 11.403 -0.539 1.00 0.00 C ATOM 983 C ASP A 65 10.449 10.639 0.242 1.00 0.00 C ATOM 984 O ASP A 65 11.561 11.137 0.385 1.00 0.00 O ATOM 985 CB ASP A 65 8.644 12.414 0.357 1.00 0.00 C ATOM 986 CG ASP A 65 7.719 11.767 1.379 1.00 0.00 C ATOM 987 OD1 ASP A 65 6.632 11.331 0.945 1.00 0.00 O ATOM 988 OD2 ASP A 65 8.073 11.742 2.577 1.00 0.00 O ATOM 0 H ASP A 65 7.458 10.608 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 65 9.875 11.960 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.382 13.021 0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.063 13.090 -0.270 1.00 0.00 H new ATOM 993 N ALA A 66 10.127 9.441 0.743 1.00 0.00 N ATOM 994 CA ALA A 66 11.069 8.582 1.441 1.00 0.00 C ATOM 995 C ALA A 66 11.641 7.567 0.448 1.00 0.00 C ATOM 996 O ALA A 66 12.840 7.549 0.172 1.00 0.00 O ATOM 997 CB ALA A 66 10.351 7.891 2.605 1.00 0.00 C ATOM 0 H ALA A 66 9.191 9.043 0.670 1.00 0.00 H new ATOM 0 HA ALA A 66 11.895 9.163 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.052 7.245 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.963 8.644 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.526 7.292 2.219 1.00 0.00 H new ATOM 1003 N VAL A 67 10.775 6.731 -0.128 1.00 0.00 N ATOM 1004 CA VAL A 67 11.148 5.666 -1.053 1.00 0.00 C ATOM 1005 C VAL A 67 11.295 6.252 -2.474 1.00 0.00 C ATOM 1006 O VAL A 67 10.685 5.802 -3.446 1.00 0.00 O ATOM 1007 CB VAL A 67 10.117 4.533 -0.871 1.00 0.00 C ATOM 1008 CG1 VAL A 67 10.236 3.402 -1.891 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.285 3.906 0.523 1.00 0.00 C ATOM 0 H VAL A 67 9.770 6.779 0.042 1.00 0.00 H new ATOM 0 HA VAL A 67 12.125 5.224 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 67 9.144 5.004 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.474 2.649 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.095 3.801 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.224 2.947 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.557 3.105 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.292 3.500 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.126 4.668 1.286 1.00 0.00 H new ATOM 1019 N ALA A 68 12.178 7.249 -2.589 1.00 0.00 N ATOM 1020 CA ALA A 68 12.419 8.012 -3.807 1.00 0.00 C ATOM 1021 C ALA A 68 12.925 7.144 -4.959 1.00 0.00 C ATOM 1022 O ALA A 68 12.334 7.153 -6.034 1.00 0.00 O ATOM 1023 CB ALA A 68 13.412 9.137 -3.499 1.00 0.00 C ATOM 0 H ALA A 68 12.761 7.553 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 68 11.468 8.429 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.600 9.715 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.996 9.790 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.348 8.708 -3.142 1.00 0.00 H new ATOM 1029 N ALA A 69 14.015 6.399 -4.741 1.00 0.00 N ATOM 1030 CA ALA A 69 14.647 5.565 -5.764 1.00 0.00 C ATOM 1031 C ALA A 69 13.620 4.689 -6.490 1.00 0.00 C ATOM 1032 O ALA A 69 13.556 4.657 -7.718 1.00 0.00 O ATOM 1033 CB ALA A 69 15.723 4.696 -5.107 1.00 0.00 C ATOM 0 H ALA A 69 14.487 6.359 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 69 15.103 6.215 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.198 4.072 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.473 5.335 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.265 4.061 -4.348 1.00 0.00 H new ATOM 1039 N VAL A 70 12.808 3.977 -5.711 1.00 0.00 N ATOM 1040 CA VAL A 70 11.777 3.100 -6.236 1.00 0.00 C ATOM 1041 C VAL A 70 10.743 3.932 -6.995 1.00 0.00 C ATOM 1042 O VAL A 70 10.366 3.578 -8.108 1.00 0.00 O ATOM 1043 CB VAL A 70 11.131 2.342 -5.072 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.019 1.396 -5.528 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.161 1.540 -4.268 1.00 0.00 C ATOM 0 H VAL A 70 12.852 3.996 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 70 12.207 2.376 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 70 10.694 3.112 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.597 0.886 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.237 1.968 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.429 0.659 -6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.660 1.018 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.646 0.813 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.911 2.217 -3.859 1.00 0.00 H new ATOM 1055 N ALA A 71 10.272 5.030 -6.395 1.00 0.00 N ATOM 1056 CA ALA A 71 9.275 5.892 -7.017 1.00 0.00 C ATOM 1057 C ALA A 71 9.729 6.379 -8.399 1.00 0.00 C ATOM 1058 O ALA A 71 8.980 6.270 -9.372 1.00 0.00 O ATOM 1059 CB ALA A 71 8.984 7.077 -6.098 1.00 0.00 C ATOM 0 H ALA A 71 10.572 5.340 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 71 8.363 5.313 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.238 7.723 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.605 6.713 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.901 7.643 -5.932 1.00 0.00 H new ATOM 1065 N GLU A 72 10.946 6.922 -8.501 1.00 0.00 N ATOM 1066 CA GLU A 72 11.440 7.399 -9.786 1.00 0.00 C ATOM 1067 C GLU A 72 11.624 6.210 -10.735 1.00 0.00 C ATOM 1068 O GLU A 72 11.202 6.290 -11.885 1.00 0.00 O ATOM 1069 CB GLU A 72 12.704 8.258 -9.624 1.00 0.00 C ATOM 1070 CG GLU A 72 13.924 7.531 -9.051 1.00 0.00 C ATOM 1071 CD GLU A 72 15.072 8.495 -8.780 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.693 8.932 -9.772 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.303 8.783 -7.585 1.00 0.00 O ATOM 0 H GLU A 72 11.593 7.039 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 72 10.703 8.064 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.971 8.668 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.468 9.102 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.646 7.025 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.251 6.761 -9.750 1.00 0.00 H new ATOM 1080 N ALA A 73 12.192 5.091 -10.263 1.00 0.00 N ATOM 1081 CA ALA A 73 12.366 3.902 -11.096 1.00 0.00 C ATOM 1082 C ALA A 73 11.022 3.433 -11.672 1.00 0.00 C ATOM 1083 O ALA A 73 10.939 3.068 -12.841 1.00 0.00 O ATOM 1084 CB ALA A 73 13.022 2.787 -10.276 1.00 0.00 C ATOM 0 H ALA A 73 12.537 4.989 -9.309 1.00 0.00 H new ATOM 0 HA ALA A 73 13.016 4.155 -11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.150 1.903 -10.901 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.996 3.123 -9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.388 2.541 -9.424 1.00 0.00 H new ATOM 1090 N ALA A 74 9.966 3.457 -10.854 1.00 0.00 N ATOM 1091 CA ALA A 74 8.617 3.076 -11.254 1.00 0.00 C ATOM 1092 C ALA A 74 7.964 4.139 -12.152 1.00 0.00 C ATOM 1093 O ALA A 74 6.895 3.891 -12.707 1.00 0.00 O ATOM 1094 CB ALA A 74 7.777 2.833 -9.995 1.00 0.00 C ATOM 0 H ALA A 74 10.030 3.748 -9.878 1.00 0.00 H new ATOM 0 HA ALA A 74 8.672 2.161 -11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.765 2.547 -10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.227 2.033 -9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.741 3.745 -9.400 1.00 0.00 H new ATOM 1100 N GLY A 75 8.585 5.315 -12.300 1.00 0.00 N ATOM 1101 CA GLY A 75 8.100 6.394 -13.143 1.00 0.00 C ATOM 1102 C GLY A 75 6.940 7.153 -12.504 1.00 0.00 C ATOM 1103 O GLY A 75 6.030 7.586 -13.208 1.00 0.00 O ATOM 0 H GLY A 75 9.458 5.540 -11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.916 7.087 -13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.780 5.987 -14.102 1.00 0.00 H new ATOM 1107 N ILE A 76 6.955 7.332 -11.179 1.00 0.00 N ATOM 1108 CA ILE A 76 5.897 8.078 -10.507 1.00 0.00 C ATOM 1109 C ILE A 76 6.148 9.573 -10.691 1.00 0.00 C ATOM 1110 O ILE A 76 7.291 10.027 -10.645 1.00 0.00 O ATOM 1111 CB ILE A 76 5.830 7.718 -9.015 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.687 6.202 -8.813 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.659 8.457 -8.346 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.412 5.589 -9.391 1.00 0.00 C ATOM 0 H ILE A 76 7.682 6.973 -10.560 1.00 0.00 H new ATOM 0 HA ILE A 76 4.937 7.813 -10.950 1.00 0.00 H new ATOM 0 HB ILE A 76 6.764 8.031 -8.549 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.547 5.708 -9.266 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.723 5.988 -7.745 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.620 8.195 -7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.802 9.533 -8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.724 8.168 -8.826 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.404 4.516 -9.198 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.542 6.049 -8.922 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.379 5.764 -10.466 1.00 0.00 H new ATOM 1126 N THR A 77 5.069 10.329 -10.895 1.00 0.00 N ATOM 1127 CA THR A 77 5.105 11.770 -11.094 1.00 0.00 C ATOM 1128 C THR A 77 3.982 12.428 -10.285 1.00 0.00 C ATOM 1129 O THR A 77 4.203 12.915 -9.177 1.00 0.00 O ATOM 1130 CB THR A 77 4.990 12.068 -12.600 1.00 0.00 C ATOM 1131 OG1 THR A 77 3.844 11.427 -13.135 1.00 0.00 O ATOM 1132 CG2 THR A 77 6.222 11.571 -13.364 1.00 0.00 C ATOM 0 H THR A 77 4.125 9.943 -10.926 1.00 0.00 H new ATOM 0 HA THR A 77 6.048 12.186 -10.739 1.00 0.00 H new ATOM 0 HB THR A 77 4.912 13.149 -12.714 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.777 11.623 -14.093 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.108 11.797 -14.424 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.113 12.068 -12.980 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.322 10.494 -13.232 1.00 0.00 H new ATOM 1140 N ALA A 78 2.769 12.432 -10.837 1.00 0.00 N ATOM 1141 CA ALA A 78 1.596 13.058 -10.241 1.00 0.00 C ATOM 1142 C ALA A 78 1.061 12.226 -9.073 1.00 0.00 C ATOM 1143 O ALA A 78 0.017 11.586 -9.185 1.00 0.00 O ATOM 1144 CB ALA A 78 0.534 13.254 -11.329 1.00 0.00 C ATOM 0 H ALA A 78 2.573 11.988 -11.734 1.00 0.00 H new ATOM 0 HA ALA A 78 1.869 14.031 -9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.350 13.722 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.933 13.893 -12.116 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.262 12.286 -11.750 1.00 0.00 H new ATOM 1150 N MET A 79 1.781 12.235 -7.950 1.00 0.00 N ATOM 1151 CA MET A 79 1.366 11.536 -6.741 1.00 0.00 C ATOM 1152 C MET A 79 0.010 12.095 -6.250 1.00 0.00 C ATOM 1153 O MET A 79 -0.235 13.292 -6.395 1.00 0.00 O ATOM 1154 CB MET A 79 2.461 11.645 -5.659 1.00 0.00 C ATOM 1155 CG MET A 79 2.660 13.044 -5.048 1.00 0.00 C ATOM 1156 SD MET A 79 3.461 14.297 -6.087 1.00 0.00 S ATOM 1157 CE MET A 79 2.317 15.678 -5.872 1.00 0.00 C ATOM 0 H MET A 79 2.669 12.729 -7.857 1.00 0.00 H new ATOM 0 HA MET A 79 1.229 10.477 -6.960 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.222 10.948 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.407 11.320 -6.092 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.683 13.425 -4.752 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.249 12.934 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.667 16.534 -6.449 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.326 15.387 -6.219 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.267 15.948 -4.817 1.00 0.00 H new ATOM 1167 N PRO A 80 -0.872 11.274 -5.654 1.00 0.00 N ATOM 1168 CA PRO A 80 -0.700 9.852 -5.426 1.00 0.00 C ATOM 1169 C PRO A 80 -0.897 9.081 -6.731 1.00 0.00 C ATOM 1170 O PRO A 80 -1.456 9.589 -7.700 1.00 0.00 O ATOM 1171 CB PRO A 80 -1.736 9.472 -4.369 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.873 10.451 -4.650 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.152 11.715 -5.126 1.00 0.00 C ATOM 0 HA PRO A 80 0.304 9.605 -5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.059 8.436 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.344 9.585 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.553 10.067 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.468 10.641 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.733 12.230 -5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.013 12.418 -4.304 1.00 0.00 H new ATOM 1181 N THR A 81 -0.385 7.858 -6.796 1.00 0.00 N ATOM 1182 CA THR A 81 -0.451 7.034 -7.990 1.00 0.00 C ATOM 1183 C THR A 81 -0.544 5.576 -7.541 1.00 0.00 C ATOM 1184 O THR A 81 0.354 5.068 -6.870 1.00 0.00 O ATOM 1185 CB THR A 81 0.799 7.330 -8.831 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.778 8.667 -9.299 1.00 0.00 O ATOM 1187 CG2 THR A 81 0.905 6.411 -10.047 1.00 0.00 C ATOM 0 H THR A 81 0.091 7.409 -6.013 1.00 0.00 H new ATOM 0 HA THR A 81 -1.322 7.245 -8.610 1.00 0.00 H new ATOM 0 HB THR A 81 1.656 7.161 -8.179 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.582 8.840 -9.832 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.804 6.657 -10.612 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.957 5.374 -9.716 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.029 6.546 -10.682 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.639 4.907 -7.895 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.913 3.528 -7.528 1.00 0.00 C ATOM 1197 C PHE A 82 -1.441 2.600 -8.640 1.00 0.00 C ATOM 1198 O PHE A 82 -1.913 2.742 -9.763 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.416 3.366 -7.293 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.870 4.051 -6.021 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -4.153 5.431 -6.024 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -3.834 3.350 -4.803 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -4.445 6.093 -4.821 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.185 3.999 -3.608 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.465 5.374 -3.614 1.00 0.00 C ATOM 0 H PHE A 82 -2.378 5.325 -8.461 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.379 3.270 -6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.962 3.779 -8.141 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.662 2.305 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.145 5.981 -6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.536 2.312 -4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.654 7.153 -4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.239 3.440 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.696 5.881 -2.689 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.523 1.671 -8.357 1.00 0.00 N ATOM 1216 CA HIS A 83 -0.065 0.667 -9.317 1.00 0.00 C ATOM 1217 C HIS A 83 -0.493 -0.706 -8.812 1.00 0.00 C ATOM 1218 O HIS A 83 -0.636 -0.882 -7.604 1.00 0.00 O ATOM 1219 CB HIS A 83 1.463 0.687 -9.429 1.00 0.00 C ATOM 1220 CG HIS A 83 2.057 1.808 -10.240 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.409 1.797 -10.571 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.488 2.939 -10.757 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.606 2.922 -11.261 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.481 3.635 -11.416 1.00 0.00 N ATOM 0 H HIS A 83 -0.073 1.596 -7.445 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.496 0.882 -10.295 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.879 0.735 -8.423 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.787 -0.259 -9.864 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.453 3.233 -10.666 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.566 3.225 -11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.379 4.516 -11.920 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.680 -1.677 -9.709 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.980 -3.055 -9.345 1.00 0.00 C ATOM 1234 C VAL A 84 0.060 -3.943 -10.021 1.00 0.00 C ATOM 1235 O VAL A 84 0.216 -3.862 -11.240 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.397 -3.467 -9.771 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.716 -4.830 -9.140 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.449 -2.452 -9.312 1.00 0.00 C ATOM 0 H VAL A 84 -0.626 -1.523 -10.716 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.941 -3.162 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.428 -3.514 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.720 -5.140 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.993 -5.569 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.662 -4.750 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.437 -2.781 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.429 -2.373 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.231 -1.478 -9.750 1.00 0.00 H new ATOM 1248 N TYR A 85 0.770 -4.772 -9.250 1.00 0.00 N ATOM 1249 CA TYR A 85 1.801 -5.670 -9.755 1.00 0.00 C ATOM 1250 C TYR A 85 1.337 -7.125 -9.650 1.00 0.00 C ATOM 1251 O TYR A 85 1.250 -7.665 -8.548 1.00 0.00 O ATOM 1252 CB TYR A 85 3.113 -5.473 -8.981 1.00 0.00 C ATOM 1253 CG TYR A 85 3.926 -4.260 -9.397 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.491 -2.962 -9.074 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.150 -4.436 -10.074 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.280 -1.849 -9.417 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.931 -3.322 -10.424 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.498 -2.028 -10.090 1.00 0.00 C ATOM 1259 OH TYR A 85 6.267 -0.945 -10.396 1.00 0.00 O ATOM 0 H TYR A 85 0.639 -4.835 -8.240 1.00 0.00 H new ATOM 0 HA TYR A 85 1.979 -5.435 -10.804 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.882 -5.390 -7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.728 -6.364 -9.105 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.551 -2.820 -8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.488 -5.431 -10.324 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.947 -0.854 -9.162 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.864 -3.460 -10.950 1.00 0.00 H new ATOM 0 HH TYR A 85 7.078 -1.240 -10.860 1.00 0.00 H new ATOM 1269 N LYS A 86 0.974 -7.738 -10.781 1.00 0.00 N ATOM 1270 CA LYS A 86 0.689 -9.170 -10.848 1.00 0.00 C ATOM 1271 C LYS A 86 1.978 -9.893 -11.235 1.00 0.00 C ATOM 1272 O LYS A 86 2.767 -9.337 -12.000 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.409 -9.472 -11.871 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.781 -8.919 -11.471 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.375 -9.511 -10.182 1.00 0.00 C ATOM 1276 CE LYS A 86 -2.401 -11.044 -10.138 1.00 0.00 C ATOM 1277 NZ LYS A 86 -3.059 -11.630 -11.323 1.00 0.00 N ATOM 0 H LYS A 86 0.870 -7.254 -11.673 1.00 0.00 H new ATOM 0 HA LYS A 86 0.332 -9.513 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.123 -9.052 -12.835 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.485 -10.551 -12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.699 -7.839 -11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.479 -9.097 -12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.800 -9.146 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.393 -9.140 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.380 -11.420 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.922 -11.370 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.097 -12.664 -11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.025 -11.254 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.519 -11.384 -12.177 1.00 0.00 H new ATOM 1291 N ASP A 87 2.162 -11.122 -10.743 1.00 0.00 N ATOM 1292 CA ASP A 87 3.272 -12.051 -10.969 1.00 0.00 C ATOM 1293 C ASP A 87 4.602 -11.493 -10.465 1.00 0.00 C ATOM 1294 O ASP A 87 5.211 -12.026 -9.541 1.00 0.00 O ATOM 1295 CB ASP A 87 3.343 -12.440 -12.450 1.00 0.00 C ATOM 1296 CG ASP A 87 4.410 -13.504 -12.667 1.00 0.00 C ATOM 1297 OD1 ASP A 87 4.110 -14.676 -12.351 1.00 0.00 O ATOM 1298 OD2 ASP A 87 5.504 -13.123 -13.133 1.00 0.00 O ATOM 0 H ASP A 87 1.469 -11.530 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 87 3.080 -12.952 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.374 -12.814 -12.781 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.569 -11.561 -13.053 1.00 0.00 H new ATOM 1303 N GLY A 88 5.016 -10.404 -11.092 1.00 0.00 N ATOM 1304 CA GLY A 88 6.209 -9.632 -10.803 1.00 0.00 C ATOM 1305 C GLY A 88 6.354 -8.480 -11.796 1.00 0.00 C ATOM 1306 O GLY A 88 7.475 -8.117 -12.144 1.00 0.00 O ATOM 0 H GLY A 88 4.488 -10.010 -11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.159 -9.240 -9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.087 -10.276 -10.853 1.00 0.00 H new ATOM 1310 N VAL A 89 5.241 -7.895 -12.259 1.00 0.00 N ATOM 1311 CA VAL A 89 5.274 -6.809 -13.227 1.00 0.00 C ATOM 1312 C VAL A 89 4.027 -5.936 -13.073 1.00 0.00 C ATOM 1313 O VAL A 89 2.950 -6.429 -12.736 1.00 0.00 O ATOM 1314 CB VAL A 89 5.408 -7.390 -14.650 1.00 0.00 C ATOM 1315 CG1 VAL A 89 4.248 -8.320 -15.032 1.00 0.00 C ATOM 1316 CG2 VAL A 89 5.546 -6.284 -15.703 1.00 0.00 C ATOM 0 H VAL A 89 4.301 -8.165 -11.970 1.00 0.00 H new ATOM 0 HA VAL A 89 6.140 -6.172 -13.047 1.00 0.00 H new ATOM 0 HB VAL A 89 6.320 -7.986 -14.634 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.401 -8.696 -16.044 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.209 -9.158 -14.336 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.309 -7.768 -14.988 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.638 -6.733 -16.692 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.664 -5.644 -15.676 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.434 -5.688 -15.491 1.00 0.00 H new ATOM 1326 N LYS A 90 4.199 -4.629 -13.295 1.00 0.00 N ATOM 1327 CA LYS A 90 3.146 -3.626 -13.266 1.00 0.00 C ATOM 1328 C LYS A 90 2.073 -4.029 -14.286 1.00 0.00 C ATOM 1329 O LYS A 90 2.288 -3.919 -15.490 1.00 0.00 O ATOM 1330 CB LYS A 90 3.770 -2.259 -13.593 1.00 0.00 C ATOM 1331 CG LYS A 90 2.826 -1.087 -13.296 1.00 0.00 C ATOM 1332 CD LYS A 90 3.321 0.215 -13.947 1.00 0.00 C ATOM 1333 CE LYS A 90 4.754 0.582 -13.541 1.00 0.00 C ATOM 1334 NZ LYS A 90 5.135 1.907 -14.064 1.00 0.00 N ATOM 0 H LYS A 90 5.114 -4.232 -13.508 1.00 0.00 H new ATOM 0 HA LYS A 90 2.676 -3.557 -12.285 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.687 -2.136 -13.016 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.050 -2.236 -14.646 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.827 -1.321 -13.663 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.745 -0.948 -12.218 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.271 0.114 -15.031 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.651 1.030 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.839 0.579 -12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.445 -0.172 -13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.754 2.386 -13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.640 1.792 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.280 2.479 -14.216 1.00 0.00 H new ATOM 1348 N ALA A 91 0.932 -4.515 -13.800 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.158 -5.027 -14.615 1.00 0.00 C ATOM 1350 C ALA A 91 -1.196 -3.959 -14.941 1.00 0.00 C ATOM 1351 O ALA A 91 -1.762 -3.965 -16.031 1.00 0.00 O ATOM 1352 CB ALA A 91 -0.819 -6.181 -13.860 1.00 0.00 C ATOM 0 H ALA A 91 0.739 -4.563 -12.800 1.00 0.00 H new ATOM 0 HA ALA A 91 0.253 -5.364 -15.566 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.641 -6.581 -14.454 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.085 -6.967 -13.681 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.203 -5.819 -12.906 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.481 -3.073 -13.987 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.507 -2.045 -14.129 1.00 0.00 C ATOM 1360 C ASP A 92 -2.174 -0.885 -13.192 1.00 0.00 C ATOM 1361 O ASP A 92 -1.300 -1.033 -12.335 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.862 -2.683 -13.787 1.00 0.00 C ATOM 1363 CG ASP A 92 -5.088 -1.846 -14.135 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.920 -0.764 -14.739 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.189 -2.329 -13.790 1.00 0.00 O ATOM 0 H ASP A 92 -1.001 -3.050 -13.087 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.549 -1.652 -15.145 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.936 -3.638 -14.307 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.883 -2.900 -12.719 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.842 0.261 -13.350 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.628 1.428 -12.509 1.00 0.00 C ATOM 1372 C ASP A 93 -3.801 2.403 -12.577 1.00 0.00 C ATOM 1373 O ASP A 93 -4.750 2.221 -13.338 1.00 0.00 O ATOM 1374 CB ASP A 93 -1.332 2.152 -12.908 1.00 0.00 C ATOM 1375 CG ASP A 93 -1.417 2.805 -14.283 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -1.825 3.987 -14.322 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -1.052 2.121 -15.262 1.00 0.00 O ATOM 0 H ASP A 93 -3.550 0.400 -14.071 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.544 1.071 -11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.103 2.914 -12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.507 1.440 -12.900 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.699 3.448 -11.756 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.611 4.569 -11.636 1.00 0.00 C ATOM 1384 C LEU A 94 -3.807 5.721 -11.041 1.00 0.00 C ATOM 1385 O LEU A 94 -3.394 5.651 -9.887 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.796 4.160 -10.747 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.770 5.271 -10.314 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -6.305 6.123 -9.126 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.193 6.159 -11.486 1.00 0.00 C ATOM 0 H LEU A 94 -2.914 3.532 -11.111 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.028 4.877 -12.595 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.368 3.398 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.397 3.692 -9.847 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.641 4.724 -9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.060 6.876 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.158 5.484 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.366 6.616 -9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.880 6.927 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.312 6.632 -11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.689 5.551 -12.243 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.538 6.766 -11.823 1.00 0.00 N ATOM 1402 CA VAL A 95 -2.839 7.945 -11.337 1.00 0.00 C ATOM 1403 C VAL A 95 -3.872 8.839 -10.645 1.00 0.00 C ATOM 1404 O VAL A 95 -5.020 8.897 -11.084 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.171 8.697 -12.498 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.139 9.715 -11.998 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.478 7.755 -13.494 1.00 0.00 C ATOM 0 H VAL A 95 -3.799 6.815 -12.808 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.052 7.658 -10.640 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.983 9.214 -13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.689 10.226 -12.850 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.630 10.445 -11.355 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.363 9.199 -11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.023 8.341 -14.293 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.706 7.184 -12.978 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.212 7.070 -13.919 1.00 0.00 H new ATOM 1417 N GLY A 96 -3.487 9.547 -9.584 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.389 10.436 -8.878 1.00 0.00 C ATOM 1419 C GLY A 96 -5.154 9.686 -7.787 1.00 0.00 C ATOM 1420 O GLY A 96 -4.720 8.633 -7.318 1.00 0.00 O ATOM 0 H GLY A 96 -2.544 9.516 -9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.824 11.255 -8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.093 10.879 -9.582 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.294 10.245 -7.371 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.142 9.713 -6.314 1.00 0.00 C ATOM 1426 C ALA A 97 -8.504 9.323 -6.885 1.00 0.00 C ATOM 1427 O ALA A 97 -9.189 10.158 -7.473 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.306 10.785 -5.233 1.00 0.00 C ATOM 0 H ALA A 97 -6.659 11.107 -7.777 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.685 8.823 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.939 10.401 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.328 11.046 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.767 11.672 -5.667 1.00 0.00 H new ATOM 1434 N SER A 98 -8.898 8.057 -6.727 1.00 0.00 N ATOM 1435 CA SER A 98 -10.180 7.530 -7.179 1.00 0.00 C ATOM 1436 C SER A 98 -10.481 6.279 -6.351 1.00 0.00 C ATOM 1437 O SER A 98 -10.240 5.163 -6.801 1.00 0.00 O ATOM 1438 CB SER A 98 -10.133 7.223 -8.684 1.00 0.00 C ATOM 1439 OG SER A 98 -9.798 8.367 -9.444 1.00 0.00 O ATOM 0 H SER A 98 -8.317 7.355 -6.269 1.00 0.00 H new ATOM 0 HA SER A 98 -10.975 8.261 -7.036 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.403 6.436 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.102 6.843 -9.008 1.00 0.00 H new ATOM 0 HG SER A 98 -9.776 8.133 -10.395 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.980 6.458 -5.125 1.00 0.00 N ATOM 1446 CA GLN A 99 -11.262 5.350 -4.209 1.00 0.00 C ATOM 1447 C GLN A 99 -12.222 4.325 -4.835 1.00 0.00 C ATOM 1448 O GLN A 99 -12.117 3.132 -4.563 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.764 5.849 -2.839 1.00 0.00 C ATOM 1450 CG GLN A 99 -12.740 7.035 -2.855 1.00 0.00 C ATOM 1451 CD GLN A 99 -12.001 8.369 -2.898 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -11.784 8.920 -3.972 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -11.567 8.881 -1.749 1.00 0.00 N ATOM 0 H GLN A 99 -11.200 7.376 -4.739 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.318 4.835 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.248 5.016 -2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.898 6.129 -2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -13.397 6.954 -3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -13.374 6.998 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.762 8.401 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.039 9.754 -1.747 1.00 0.00 H new ATOM 1462 N ASP A 100 -13.153 4.766 -5.682 1.00 0.00 N ATOM 1463 CA ASP A 100 -14.044 3.868 -6.406 1.00 0.00 C ATOM 1464 C ASP A 100 -13.209 2.941 -7.300 1.00 0.00 C ATOM 1465 O ASP A 100 -13.351 1.718 -7.261 1.00 0.00 O ATOM 1466 CB ASP A 100 -15.057 4.687 -7.224 1.00 0.00 C ATOM 1467 CG ASP A 100 -14.422 5.572 -8.298 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -13.357 6.161 -7.999 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -15.002 5.633 -9.402 1.00 0.00 O ATOM 0 H ASP A 100 -13.308 5.754 -5.883 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.607 3.251 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.760 4.004 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.633 5.315 -6.545 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.305 3.531 -8.087 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.420 2.787 -8.965 1.00 0.00 C ATOM 1476 C LYS A 101 -10.508 1.898 -8.118 1.00 0.00 C ATOM 1477 O LYS A 101 -10.211 0.782 -8.516 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.615 3.757 -9.839 1.00 0.00 C ATOM 1479 CG LYS A 101 -9.733 3.074 -10.900 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.512 2.302 -11.973 1.00 0.00 C ATOM 1481 CE LYS A 101 -9.566 1.561 -12.929 1.00 0.00 C ATOM 1482 NZ LYS A 101 -8.601 2.461 -13.588 1.00 0.00 N ATOM 0 H LYS A 101 -12.172 4.541 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.999 2.149 -9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.306 4.435 -10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.981 4.367 -9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.121 3.832 -11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.051 2.387 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.181 1.587 -11.495 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.136 2.993 -12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.023 0.796 -12.375 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.154 1.047 -13.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.080 1.936 -14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.110 3.254 -14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.931 2.829 -12.882 1.00 0.00 H new ATOM 1496 N LEU A 102 -10.062 2.379 -6.956 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.214 1.624 -6.042 1.00 0.00 C ATOM 1498 C LEU A 102 -9.909 0.324 -5.646 1.00 0.00 C ATOM 1499 O LEU A 102 -9.364 -0.764 -5.832 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.914 2.498 -4.820 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.834 1.979 -3.863 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.568 1.537 -4.601 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -7.522 3.127 -2.892 1.00 0.00 C ATOM 0 H LEU A 102 -10.285 3.317 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.273 1.359 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.615 3.486 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.838 2.627 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.195 1.095 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.833 1.178 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.814 0.736 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.154 2.382 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.755 2.808 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.163 3.990 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.426 3.399 -2.347 1.00 0.00 H new ATOM 1515 N LYS A 103 -11.129 0.442 -5.116 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.944 -0.706 -4.751 1.00 0.00 C ATOM 1517 C LYS A 103 -12.039 -1.666 -5.943 1.00 0.00 C ATOM 1518 O LYS A 103 -11.772 -2.865 -5.810 1.00 0.00 O ATOM 1519 CB LYS A 103 -13.334 -0.216 -4.327 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.307 0.525 -2.986 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.654 1.219 -2.746 1.00 0.00 C ATOM 1522 CE LYS A 103 -14.630 2.124 -1.508 1.00 0.00 C ATOM 1523 NZ LYS A 103 -14.380 1.367 -0.270 1.00 0.00 N ATOM 0 H LYS A 103 -11.575 1.340 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.491 -1.242 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.734 0.445 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.010 -1.068 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.100 -0.176 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.503 1.261 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.916 1.812 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.432 0.465 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.857 2.883 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.582 2.649 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.917 1.794 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.682 0.380 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.364 1.392 -0.047 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.399 -1.120 -7.112 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.524 -1.894 -8.338 1.00 0.00 C ATOM 1539 C ALA A 104 -11.211 -2.600 -8.692 1.00 0.00 C ATOM 1540 O ALA A 104 -11.242 -3.759 -9.087 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.979 -0.984 -9.482 1.00 0.00 C ATOM 0 H ALA A 104 -12.610 -0.129 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.275 -2.668 -8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.071 -1.569 -10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.945 -0.543 -9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.246 -0.191 -9.630 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.064 -1.924 -8.565 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.753 -2.488 -8.861 1.00 0.00 C ATOM 1549 C LEU A 105 -8.503 -3.693 -7.961 1.00 0.00 C ATOM 1550 O LEU A 105 -8.154 -4.762 -8.460 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.637 -1.446 -8.662 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.506 -0.433 -9.810 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.722 0.793 -9.336 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -6.752 -1.027 -11.003 1.00 0.00 C ATOM 0 H LEU A 105 -10.025 -0.955 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.741 -2.798 -9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.823 -0.904 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.687 -1.967 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.517 -0.162 -10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.633 1.507 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.246 1.260 -8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.727 0.486 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.679 -0.282 -11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.751 -1.323 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.289 -1.900 -11.375 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.669 -3.535 -6.642 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.425 -4.653 -5.735 1.00 0.00 C ATOM 1568 C VAL A 106 -9.298 -5.837 -6.145 1.00 0.00 C ATOM 1569 O VAL A 106 -8.794 -6.944 -6.306 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.672 -4.273 -4.264 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.326 -5.476 -3.373 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.795 -3.098 -3.819 1.00 0.00 C ATOM 0 H VAL A 106 -8.963 -2.668 -6.192 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.374 -4.930 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.719 -3.986 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.498 -5.216 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.956 -6.323 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.279 -5.743 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.003 -2.864 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.744 -3.366 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.014 -2.227 -4.436 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.597 -5.597 -6.328 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.530 -6.645 -6.729 1.00 0.00 C ATOM 1584 C ALA A 107 -11.059 -7.320 -8.026 1.00 0.00 C ATOM 1585 O ALA A 107 -10.826 -8.531 -8.061 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.931 -6.047 -6.889 1.00 0.00 C ATOM 0 H ALA A 107 -11.026 -4.680 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.566 -7.413 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.628 -6.829 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.253 -5.617 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.909 -5.269 -7.652 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.898 -6.525 -9.087 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.447 -6.952 -10.406 1.00 0.00 C ATOM 1594 C LYS A 108 -9.237 -7.871 -10.283 1.00 0.00 C ATOM 1595 O LYS A 108 -9.285 -9.014 -10.729 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.116 -5.699 -11.240 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.357 -5.972 -12.550 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.037 -4.675 -13.306 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.281 -3.981 -13.872 1.00 0.00 C ATOM 1600 NZ LYS A 108 -9.905 -2.808 -14.683 1.00 0.00 N ATOM 0 H LYS A 108 -11.088 -5.524 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.233 -7.518 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.046 -5.183 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.522 -5.020 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.430 -6.502 -12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.954 -6.625 -13.186 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.521 -3.989 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.351 -4.898 -14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.848 -4.684 -14.482 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.932 -3.670 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.763 -2.354 -15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.384 -2.130 -14.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.302 -3.112 -15.474 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.171 -7.370 -9.658 1.00 0.00 N ATOM 1615 CA HIS A 109 -6.903 -8.078 -9.549 1.00 0.00 C ATOM 1616 C HIS A 109 -6.876 -9.081 -8.390 1.00 0.00 C ATOM 1617 O HIS A 109 -5.803 -9.572 -8.046 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.790 -7.028 -9.463 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.700 -6.202 -10.724 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.145 -6.721 -11.893 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.133 -4.927 -10.973 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.295 -5.755 -12.801 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.883 -4.659 -12.300 1.00 0.00 N ATOM 0 H HIS A 109 -8.167 -6.453 -9.211 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.751 -8.698 -10.433 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -5.973 -6.373 -8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.836 -7.524 -9.284 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.587 -4.255 -10.260 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.977 -5.846 -13.829 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.101 -3.798 -12.802 1.00 0.00 H new ATOM 1631 N ALA A 110 -8.026 -9.348 -7.754 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.184 -10.408 -6.768 1.00 0.00 C ATOM 1633 C ALA A 110 -8.872 -11.571 -7.483 1.00 0.00 C ATOM 1634 O ALA A 110 -8.469 -12.723 -7.329 1.00 0.00 O ATOM 1635 CB ALA A 110 -9.005 -9.933 -5.564 1.00 0.00 C ATOM 0 H ALA A 110 -8.883 -8.820 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.216 -10.714 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.104 -10.748 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.501 -9.091 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.995 -9.622 -5.898 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.932 -11.261 -8.242 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.643 -12.235 -9.057 1.00 0.00 C ATOM 1643 C ALA A 111 -9.693 -12.749 -10.138 1.00 0.00 C ATOM 1644 O ALA A 111 -9.449 -13.950 -10.235 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.892 -11.584 -9.661 1.00 0.00 C ATOM 0 H ALA A 111 -10.317 -10.318 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.972 -13.080 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.424 -12.314 -10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.544 -11.236 -8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.597 -10.738 -10.282 1.00 0.00 H new