USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 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 23 GLN : amide:sc= 0.17 X(o=-2,f=-2.4) USER MOD Set 1.2: A 51 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 1.3: A 53 SER OG : rot -110:sc= -2.13! USER MOD Set 2.1: A 34 SER OG : rot -64:sc= 0.806 USER MOD Set 2.2: A 37 GLN : amide:sc= 1.01 K(o=1.8,f=-7.8!) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 11 GLN : amide:sc= -0.797 X(o=-0.8,f=-0.64) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0347 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-0.42) USER MOD Single : A 10 GLN : amide:sc= 0.0393 K(o=0.039,f=-4.6!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.18 USER MOD Single : A 14 HIS : no HD1:sc= -2.42! K(o=-2.4!,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -170:sc= 0.51 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 79:sc= 1.27 USER MOD Single : A 31 GLN : amide:sc= 0.673 K(o=0.67,f=-0.48) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 40 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.5!) USER MOD Single : A 44 ASN : amide:sc= 1.14 K(o=1.1,f=-0.052) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0159) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -2:sc= 0.938 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.844! K(o=-0.84!,f=-1.9) USER MOD Single : A 61 LYS NZ :NH3+ -138:sc= 0.986 (180deg=-0.135) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.0273 (180deg=-0.191) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -0.269 (180deg=-2.25!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -175:sc= -2.13 (180deg=-2.36) USER MOD Single : A 68 LYS NZ :NH3+ 139:sc= 0.429 (180deg=0.00169) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -148:sc= 0.825 USER MOD Single : A 73 LYS NZ :NH3+ -111:sc= 0.0809 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.967 -4.901 0.449 1.00 0.00 N ATOM 2 CA GLY A 1 14.790 -4.228 1.012 1.00 0.00 C ATOM 3 C GLY A 1 14.827 -2.742 0.744 1.00 0.00 C ATOM 4 O GLY A 1 15.305 -2.320 -0.314 1.00 0.00 O ATOM 0 H1 GLY A 1 15.667 -5.758 -0.058 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.451 -4.259 -0.211 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.618 -5.163 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.884 -4.655 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.747 -4.405 2.087 1.00 0.00 H new ATOM 10 N HIS A 2 14.325 -1.953 1.691 1.00 0.00 N ATOM 11 CA HIS A 2 14.275 -0.480 1.618 1.00 0.00 C ATOM 12 C HIS A 2 13.332 0.045 0.550 1.00 0.00 C ATOM 13 O HIS A 2 12.283 0.604 0.876 1.00 0.00 O ATOM 14 CB HIS A 2 15.674 0.174 1.554 1.00 0.00 C ATOM 15 CG HIS A 2 15.656 1.663 1.335 1.00 0.00 C ATOM 16 ND1 HIS A 2 15.069 2.562 2.194 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.099 2.389 0.281 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.161 3.769 1.646 1.00 0.00 C ATOM 19 NE2 HIS A 2 15.781 3.722 0.481 1.00 0.00 N ATOM 0 H HIS A 2 13.930 -2.322 2.556 1.00 0.00 H new ATOM 0 HA HIS A 2 13.841 -0.167 2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 2 16.203 -0.038 2.483 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.243 -0.292 0.750 1.00 0.00 H new ATOM 0 HD2 HIS A 2 16.618 1.992 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 2 14.778 4.673 2.096 1.00 0.00 H new ATOM 0 HE2 HIS A 2 15.983 4.504 -0.142 1.00 0.00 H new ATOM 27 N MET A 3 13.695 -0.112 -0.698 1.00 0.00 N ATOM 28 CA MET A 3 12.859 0.350 -1.762 1.00 0.00 C ATOM 29 C MET A 3 11.727 -0.607 -1.946 1.00 0.00 C ATOM 30 O MET A 3 11.873 -1.804 -1.706 1.00 0.00 O ATOM 31 CB MET A 3 13.603 0.611 -3.056 1.00 0.00 C ATOM 32 CG MET A 3 14.579 1.777 -2.991 1.00 0.00 C ATOM 33 SD MET A 3 15.209 2.249 -4.615 1.00 0.00 S ATOM 34 CE MET A 3 16.304 3.597 -4.170 1.00 0.00 C ATOM 0 H MET A 3 14.564 -0.556 -0.996 1.00 0.00 H new ATOM 0 HA MET A 3 12.467 1.326 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.149 -0.290 -3.336 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.878 0.803 -3.847 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.085 2.634 -2.534 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.415 1.510 -2.345 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.772 3.997 -5.069 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.732 4.383 -3.678 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.075 3.231 -3.492 1.00 0.00 H new ATOM 44 N VAL A 4 10.640 -0.109 -2.422 1.00 0.00 N ATOM 45 CA VAL A 4 9.396 -0.839 -2.357 1.00 0.00 C ATOM 46 C VAL A 4 9.331 -1.993 -3.343 1.00 0.00 C ATOM 47 O VAL A 4 8.700 -3.005 -3.080 1.00 0.00 O ATOM 48 CB VAL A 4 8.187 0.105 -2.469 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.420 1.303 -1.579 1.00 0.00 C ATOM 50 CG2 VAL A 4 7.926 0.552 -3.879 1.00 0.00 C ATOM 0 H VAL A 4 10.574 0.807 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 4 9.354 -1.302 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 4 7.302 -0.446 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.569 1.980 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.536 0.972 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.324 1.822 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.062 1.216 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.799 1.083 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.728 -0.318 -4.506 1.00 0.00 H new ATOM 60 N HIS A 5 10.044 -1.872 -4.432 1.00 0.00 N ATOM 61 CA HIS A 5 10.117 -2.944 -5.427 1.00 0.00 C ATOM 62 C HIS A 5 10.886 -4.166 -4.875 1.00 0.00 C ATOM 63 O HIS A 5 10.841 -5.253 -5.438 1.00 0.00 O ATOM 64 CB HIS A 5 10.728 -2.435 -6.752 1.00 0.00 C ATOM 65 CG HIS A 5 11.997 -1.655 -6.597 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.026 -0.293 -6.529 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.279 -2.060 -6.459 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.266 0.091 -6.345 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.088 -0.943 -6.299 1.00 0.00 N ATOM 0 H HIS A 5 10.590 -1.043 -4.666 1.00 0.00 H new ATOM 0 HA HIS A 5 9.100 -3.271 -5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.920 -3.290 -7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.993 -1.810 -7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.619 -3.085 -6.471 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.576 1.121 -6.244 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.100 -0.924 -6.173 1.00 0.00 H new ATOM 77 N GLU A 6 11.549 -3.967 -3.743 1.00 0.00 N ATOM 78 CA GLU A 6 12.309 -5.012 -3.066 1.00 0.00 C ATOM 79 C GLU A 6 11.479 -5.620 -1.944 1.00 0.00 C ATOM 80 O GLU A 6 11.935 -6.505 -1.217 1.00 0.00 O ATOM 81 CB GLU A 6 13.558 -4.411 -2.457 1.00 0.00 C ATOM 82 CG GLU A 6 14.499 -3.771 -3.461 1.00 0.00 C ATOM 83 CD GLU A 6 15.124 -4.799 -4.365 1.00 0.00 C ATOM 84 OE1 GLU A 6 16.021 -5.531 -3.902 1.00 0.00 O ATOM 85 OE2 GLU A 6 14.750 -4.899 -5.549 1.00 0.00 O ATOM 0 H GLU A 6 11.575 -3.067 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 6 12.569 -5.781 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.265 -3.661 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.096 -5.191 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.953 -3.042 -4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.281 -3.226 -2.932 1.00 0.00 H new ATOM 92 N TRP A 7 10.278 -5.120 -1.779 1.00 0.00 N ATOM 93 CA TRP A 7 9.409 -5.600 -0.740 1.00 0.00 C ATOM 94 C TRP A 7 8.714 -6.849 -1.190 1.00 0.00 C ATOM 95 O TRP A 7 8.373 -6.985 -2.365 1.00 0.00 O ATOM 96 CB TRP A 7 8.418 -4.525 -0.286 1.00 0.00 C ATOM 97 CG TRP A 7 9.081 -3.359 0.390 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.389 -3.266 0.770 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.465 -2.145 0.800 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.623 -2.067 1.357 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.469 -1.356 1.389 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.173 -1.639 0.714 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.227 -0.097 1.892 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.922 -0.385 1.218 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.948 0.381 1.801 1.00 0.00 C ATOM 0 H TRP A 7 9.882 -4.378 -2.355 1.00 0.00 H new ATOM 0 HA TRP A 7 10.016 -5.843 0.132 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.859 -4.166 -1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.696 -4.971 0.398 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.131 -4.037 0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.523 -1.750 1.717 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.383 -2.219 0.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.015 0.490 2.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.922 0.019 1.166 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.722 1.365 2.184 1.00 0.00 H new ATOM 116 N SER A 8 8.520 -7.754 -0.270 1.00 0.00 N ATOM 117 CA SER A 8 7.966 -9.036 -0.569 1.00 0.00 C ATOM 118 C SER A 8 6.470 -9.066 -0.221 1.00 0.00 C ATOM 119 O SER A 8 5.622 -9.031 -1.096 1.00 0.00 O ATOM 120 CB SER A 8 8.741 -10.053 0.246 1.00 0.00 C ATOM 121 OG SER A 8 10.134 -9.766 0.156 1.00 0.00 O ATOM 0 H SER A 8 8.746 -7.616 0.715 1.00 0.00 H new ATOM 0 HA SER A 8 8.048 -9.262 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.419 -10.024 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.541 -11.059 -0.122 1.00 0.00 H new ATOM 0 HG SER A 8 10.638 -10.421 0.683 1.00 0.00 H new ATOM 127 N VAL A 9 6.170 -9.116 1.062 1.00 0.00 N ATOM 128 CA VAL A 9 4.794 -9.096 1.558 1.00 0.00 C ATOM 129 C VAL A 9 4.783 -8.292 2.845 1.00 0.00 C ATOM 130 O VAL A 9 4.296 -7.198 2.889 1.00 0.00 O ATOM 131 CB VAL A 9 4.242 -10.542 1.855 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.852 -10.473 2.449 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.200 -11.400 0.606 1.00 0.00 C ATOM 0 H VAL A 9 6.873 -9.172 1.799 1.00 0.00 H new ATOM 0 HA VAL A 9 4.154 -8.656 0.793 1.00 0.00 H new ATOM 0 HB VAL A 9 4.928 -10.999 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.490 -11.482 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.882 -9.910 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.181 -9.977 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.813 -12.388 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.551 -10.933 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.206 -11.497 0.197 1.00 0.00 H new ATOM 143 N GLN A 10 5.453 -8.817 3.844 1.00 0.00 N ATOM 144 CA GLN A 10 5.525 -8.228 5.184 1.00 0.00 C ATOM 145 C GLN A 10 6.130 -6.819 5.173 1.00 0.00 C ATOM 146 O GLN A 10 5.804 -5.986 6.005 1.00 0.00 O ATOM 147 CB GLN A 10 6.298 -9.162 6.155 1.00 0.00 C ATOM 148 CG GLN A 10 7.806 -9.400 5.858 1.00 0.00 C ATOM 149 CD GLN A 10 8.108 -10.026 4.490 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.300 -10.759 3.924 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.256 -9.752 3.963 1.00 0.00 N ATOM 0 H GLN A 10 5.980 -9.686 3.758 1.00 0.00 H new ATOM 0 HA GLN A 10 4.501 -8.126 5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.212 -8.750 7.161 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.798 -10.130 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.329 -8.446 5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.216 -10.046 6.634 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.909 -9.141 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.509 -10.147 3.057 1.00 0.00 H new ATOM 160 N GLN A 11 6.971 -6.554 4.189 1.00 0.00 N ATOM 161 CA GLN A 11 7.604 -5.259 4.064 1.00 0.00 C ATOM 162 C GLN A 11 6.612 -4.178 3.594 1.00 0.00 C ATOM 163 O GLN A 11 6.844 -2.988 3.796 1.00 0.00 O ATOM 164 CB GLN A 11 8.827 -5.317 3.145 1.00 0.00 C ATOM 165 CG GLN A 11 9.991 -6.145 3.666 1.00 0.00 C ATOM 166 CD GLN A 11 11.267 -5.954 2.845 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.066 -5.067 3.131 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.475 -6.770 1.829 1.00 0.00 N ATOM 0 H GLN A 11 7.230 -7.223 3.464 1.00 0.00 H new ATOM 0 HA GLN A 11 7.947 -4.978 5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.518 -5.721 2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.176 -4.300 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.188 -5.875 4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.714 -7.199 3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.795 -7.499 1.613 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.316 -6.672 1.260 1.00 0.00 H new ATOM 177 N VAL A 12 5.491 -4.602 3.011 1.00 0.00 N ATOM 178 CA VAL A 12 4.495 -3.665 2.490 1.00 0.00 C ATOM 179 C VAL A 12 3.649 -3.119 3.656 1.00 0.00 C ATOM 180 O VAL A 12 3.162 -1.976 3.622 1.00 0.00 O ATOM 181 CB VAL A 12 3.561 -4.362 1.424 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.342 -5.050 2.035 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.158 -3.406 0.332 1.00 0.00 C ATOM 0 H VAL A 12 5.250 -5.585 2.888 1.00 0.00 H new ATOM 0 HA VAL A 12 5.014 -2.844 1.996 1.00 0.00 H new ATOM 0 HB VAL A 12 4.163 -5.155 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.747 -5.506 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.671 -5.821 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.737 -4.315 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.516 -3.920 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.617 -2.565 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.049 -3.040 -0.178 1.00 0.00 H new ATOM 193 N SER A 13 3.527 -3.931 4.707 1.00 0.00 N ATOM 194 CA SER A 13 2.716 -3.607 5.846 1.00 0.00 C ATOM 195 C SER A 13 3.316 -2.441 6.606 1.00 0.00 C ATOM 196 O SER A 13 2.587 -1.582 7.105 1.00 0.00 O ATOM 197 CB SER A 13 2.590 -4.834 6.737 1.00 0.00 C ATOM 198 OG SER A 13 2.538 -6.005 5.923 1.00 0.00 O ATOM 0 H SER A 13 3.997 -4.833 4.777 1.00 0.00 H new ATOM 0 HA SER A 13 1.721 -3.309 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.437 -4.890 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.691 -4.762 7.349 1.00 0.00 H new ATOM 0 HG SER A 13 2.459 -6.797 6.494 1.00 0.00 H new ATOM 204 N HIS A 14 4.654 -2.383 6.624 1.00 0.00 N ATOM 205 CA HIS A 14 5.390 -1.320 7.323 1.00 0.00 C ATOM 206 C HIS A 14 4.995 0.030 6.757 1.00 0.00 C ATOM 207 O HIS A 14 4.879 1.016 7.487 1.00 0.00 O ATOM 208 CB HIS A 14 6.916 -1.490 7.190 1.00 0.00 C ATOM 209 CG HIS A 14 7.453 -2.841 7.581 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.065 -3.543 8.702 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.344 -3.632 6.942 1.00 0.00 C ATOM 212 CE1 HIS A 14 7.710 -4.709 8.707 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.505 -4.815 7.653 1.00 0.00 N ATOM 0 H HIS A 14 5.253 -3.065 6.159 1.00 0.00 H new ATOM 0 HA HIS A 14 5.131 -1.384 8.380 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.198 -1.292 6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.404 -0.733 7.804 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.852 -3.383 6.022 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.599 -5.466 9.469 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.109 -5.601 7.413 1.00 0.00 H new ATOM 221 N TRP A 15 4.768 0.058 5.454 1.00 0.00 N ATOM 222 CA TRP A 15 4.318 1.245 4.789 1.00 0.00 C ATOM 223 C TRP A 15 2.920 1.583 5.241 1.00 0.00 C ATOM 224 O TRP A 15 2.718 2.637 5.826 1.00 0.00 O ATOM 225 CB TRP A 15 4.391 1.089 3.259 1.00 0.00 C ATOM 226 CG TRP A 15 3.572 2.099 2.500 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.802 3.434 2.378 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.372 1.828 1.766 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.813 4.009 1.614 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.923 3.039 1.226 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.643 0.671 1.514 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.761 3.120 0.448 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.506 0.760 0.743 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.078 1.968 0.227 1.00 0.00 C ATOM 0 H TRP A 15 4.894 -0.746 4.839 1.00 0.00 H new ATOM 0 HA TRP A 15 4.979 2.069 5.058 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.432 1.171 2.945 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.055 0.088 2.990 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.636 3.963 2.815 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.751 4.998 1.374 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.963 -0.279 1.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.422 4.061 0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.064 -0.134 0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.823 1.996 -0.368 1.00 0.00 H new ATOM 245 N LEU A 16 1.988 0.646 5.025 1.00 0.00 N ATOM 246 CA LEU A 16 0.559 0.805 5.353 1.00 0.00 C ATOM 247 C LEU A 16 0.349 1.355 6.752 1.00 0.00 C ATOM 248 O LEU A 16 -0.369 2.335 6.933 1.00 0.00 O ATOM 249 CB LEU A 16 -0.150 -0.533 5.222 1.00 0.00 C ATOM 250 CG LEU A 16 -0.309 -1.091 3.800 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.542 -2.571 3.831 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.491 -0.443 3.110 1.00 0.00 C ATOM 0 H LEU A 16 2.206 -0.260 4.611 1.00 0.00 H new ATOM 0 HA LEU A 16 0.141 1.524 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.394 -1.267 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.142 -0.437 5.663 1.00 0.00 H new ATOM 0 HG LEU A 16 0.611 -0.874 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.652 -2.943 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.306 -3.063 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.450 -2.785 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.591 -0.848 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.400 -0.648 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.334 0.634 3.054 1.00 0.00 H new ATOM 264 N VAL A 17 1.017 0.768 7.724 1.00 0.00 N ATOM 265 CA VAL A 17 0.880 1.165 9.119 1.00 0.00 C ATOM 266 C VAL A 17 1.310 2.641 9.327 1.00 0.00 C ATOM 267 O VAL A 17 0.781 3.340 10.202 1.00 0.00 O ATOM 268 CB VAL A 17 1.715 0.229 10.035 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.600 0.617 11.499 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.326 -1.230 9.860 1.00 0.00 C ATOM 0 H VAL A 17 1.672 0.001 7.573 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.172 1.077 9.390 1.00 0.00 H new ATOM 0 HB VAL A 17 2.753 0.351 9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.199 -0.063 12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.961 1.637 11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.557 0.557 11.811 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.934 -1.850 10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.273 -1.358 10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.492 -1.529 8.825 1.00 0.00 H new ATOM 280 N GLY A 18 2.182 3.129 8.454 1.00 0.00 N ATOM 281 CA GLY A 18 2.716 4.469 8.578 1.00 0.00 C ATOM 282 C GLY A 18 1.698 5.512 8.203 1.00 0.00 C ATOM 283 O GLY A 18 1.712 6.630 8.713 1.00 0.00 O ATOM 0 H GLY A 18 2.533 2.609 7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.046 4.635 9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.594 4.571 7.940 1.00 0.00 H new ATOM 287 N LEU A 19 0.793 5.146 7.324 1.00 0.00 N ATOM 288 CA LEU A 19 -0.250 6.059 6.915 1.00 0.00 C ATOM 289 C LEU A 19 -1.578 5.659 7.547 1.00 0.00 C ATOM 290 O LEU A 19 -2.625 6.117 7.136 1.00 0.00 O ATOM 291 CB LEU A 19 -0.378 6.188 5.365 1.00 0.00 C ATOM 292 CG LEU A 19 -0.617 4.922 4.548 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.219 5.269 3.219 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.666 4.206 4.291 1.00 0.00 C ATOM 0 H LEU A 19 0.758 4.228 6.881 1.00 0.00 H new ATOM 0 HA LEU A 19 0.032 7.048 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.196 6.877 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.535 6.655 4.994 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.291 4.285 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.385 4.357 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.170 5.779 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.540 5.923 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.470 3.307 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.342 4.858 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.125 3.929 5.240 1.00 0.00 H new ATOM 306 N SER A 20 -1.497 4.806 8.579 1.00 0.00 N ATOM 307 CA SER A 20 -2.671 4.291 9.315 1.00 0.00 C ATOM 308 C SER A 20 -3.545 3.389 8.452 1.00 0.00 C ATOM 309 O SER A 20 -4.676 3.111 8.766 1.00 0.00 O ATOM 310 CB SER A 20 -3.475 5.431 9.960 1.00 0.00 C ATOM 311 OG SER A 20 -2.652 6.168 10.865 1.00 0.00 O ATOM 0 H SER A 20 -0.609 4.449 8.932 1.00 0.00 H new ATOM 0 HA SER A 20 -2.292 3.666 10.123 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.862 6.095 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.336 5.023 10.490 1.00 0.00 H new ATOM 0 HG SER A 20 -3.175 6.892 11.268 1.00 0.00 H new ATOM 317 N LEU A 21 -2.957 2.861 7.425 1.00 0.00 N ATOM 318 CA LEU A 21 -3.607 1.950 6.504 1.00 0.00 C ATOM 319 C LEU A 21 -3.294 0.526 6.911 1.00 0.00 C ATOM 320 O LEU A 21 -3.436 -0.399 6.123 1.00 0.00 O ATOM 321 CB LEU A 21 -3.110 2.203 5.086 1.00 0.00 C ATOM 322 CG LEU A 21 -3.856 3.229 4.191 1.00 0.00 C ATOM 323 CD1 LEU A 21 -5.084 2.610 3.602 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.248 4.489 4.946 1.00 0.00 C ATOM 0 H LEU A 21 -1.983 3.050 7.187 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.685 2.110 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.071 2.524 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.114 1.247 4.562 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.161 3.515 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.596 3.342 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.803 1.749 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.749 2.288 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.766 5.171 4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.907 4.227 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.352 4.974 5.334 1.00 0.00 H new ATOM 336 N ASP A 22 -2.889 0.354 8.174 1.00 0.00 N ATOM 337 CA ASP A 22 -2.621 -0.963 8.785 1.00 0.00 C ATOM 338 C ASP A 22 -3.830 -1.889 8.666 1.00 0.00 C ATOM 339 O ASP A 22 -3.705 -3.102 8.710 1.00 0.00 O ATOM 340 CB ASP A 22 -2.220 -0.806 10.263 1.00 0.00 C ATOM 341 CG ASP A 22 -3.249 -0.077 11.095 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.343 1.159 10.976 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.981 -0.720 11.879 1.00 0.00 O ATOM 0 H ASP A 22 -2.734 1.133 8.814 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.792 -1.414 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.052 -1.794 10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.273 -0.269 10.319 1.00 0.00 H new ATOM 348 N GLN A 23 -4.975 -1.297 8.463 1.00 0.00 N ATOM 349 CA GLN A 23 -6.230 -1.999 8.271 1.00 0.00 C ATOM 350 C GLN A 23 -6.246 -2.746 6.920 1.00 0.00 C ATOM 351 O GLN A 23 -6.970 -3.711 6.741 1.00 0.00 O ATOM 352 CB GLN A 23 -7.355 -0.977 8.354 1.00 0.00 C ATOM 353 CG GLN A 23 -7.350 0.053 7.230 1.00 0.00 C ATOM 354 CD GLN A 23 -7.935 1.337 7.655 1.00 0.00 C ATOM 355 OE1 GLN A 23 -9.148 1.515 7.627 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.090 2.276 7.971 1.00 0.00 N ATOM 0 H GLN A 23 -5.071 -0.282 8.424 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.360 -2.755 9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.310 -1.503 8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.287 -0.456 9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.327 0.215 6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.909 -0.336 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.089 2.079 7.980 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.429 3.208 8.209 1.00 0.00 H new ATOM 365 N TYR A 24 -5.416 -2.306 5.999 1.00 0.00 N ATOM 366 CA TYR A 24 -5.332 -2.914 4.693 1.00 0.00 C ATOM 367 C TYR A 24 -4.348 -4.071 4.683 1.00 0.00 C ATOM 368 O TYR A 24 -4.427 -4.944 3.821 1.00 0.00 O ATOM 369 CB TYR A 24 -4.964 -1.878 3.626 1.00 0.00 C ATOM 370 CG TYR A 24 -6.133 -1.363 2.804 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.938 -0.310 3.228 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.407 -1.932 1.576 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.985 0.148 2.425 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.435 -1.489 0.784 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.221 -0.459 1.199 1.00 0.00 C ATOM 376 OH TYR A 24 -9.245 -0.024 0.373 1.00 0.00 O ATOM 0 H TYR A 24 -4.783 -1.518 6.136 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.318 -3.313 4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.481 -1.031 4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.230 -2.318 2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.752 0.156 4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.793 -2.750 1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.606 0.968 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.621 -1.958 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.363 -0.659 -0.364 1.00 0.00 H new ATOM 386 N VAL A 25 -3.439 -4.085 5.660 1.00 0.00 N ATOM 387 CA VAL A 25 -2.401 -5.140 5.780 1.00 0.00 C ATOM 388 C VAL A 25 -2.991 -6.548 5.750 1.00 0.00 C ATOM 389 O VAL A 25 -2.418 -7.441 5.117 1.00 0.00 O ATOM 390 CB VAL A 25 -1.482 -4.983 7.043 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.482 -6.105 7.134 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.790 -3.648 7.037 1.00 0.00 C ATOM 0 H VAL A 25 -3.392 -3.376 6.391 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.775 -5.000 4.899 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.118 -5.033 7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.139 -5.968 8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.008 -7.057 7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.148 -6.104 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.159 -3.561 7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.174 -3.561 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.535 -2.852 7.044 1.00 0.00 H new ATOM 402 N SER A 26 -4.147 -6.723 6.379 1.00 0.00 N ATOM 403 CA SER A 26 -4.814 -8.019 6.456 1.00 0.00 C ATOM 404 C SER A 26 -5.014 -8.627 5.052 1.00 0.00 C ATOM 405 O SER A 26 -4.741 -9.810 4.828 1.00 0.00 O ATOM 406 CB SER A 26 -6.163 -7.870 7.196 1.00 0.00 C ATOM 407 OG SER A 26 -6.828 -9.112 7.344 1.00 0.00 O ATOM 0 H SER A 26 -4.649 -5.971 6.850 1.00 0.00 H new ATOM 0 HA SER A 26 -4.180 -8.705 7.018 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.991 -7.432 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.803 -7.179 6.647 1.00 0.00 H new ATOM 0 HG SER A 26 -7.675 -8.975 7.818 1.00 0.00 H new ATOM 413 N GLU A 27 -5.389 -7.797 4.105 1.00 0.00 N ATOM 414 CA GLU A 27 -5.659 -8.275 2.774 1.00 0.00 C ATOM 415 C GLU A 27 -4.424 -8.084 1.879 1.00 0.00 C ATOM 416 O GLU A 27 -4.176 -8.885 0.986 1.00 0.00 O ATOM 417 CB GLU A 27 -6.883 -7.579 2.202 1.00 0.00 C ATOM 418 CG GLU A 27 -7.346 -8.098 0.845 1.00 0.00 C ATOM 419 CD GLU A 27 -7.903 -9.490 0.861 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.977 -9.704 1.445 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.325 -10.377 0.220 1.00 0.00 O ATOM 0 H GLU A 27 -5.513 -6.793 4.234 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.876 -9.342 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.704 -7.680 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.668 -6.514 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.106 -7.422 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.504 -8.066 0.153 1.00 0.00 H new ATOM 428 N PHE A 28 -3.627 -7.035 2.147 1.00 0.00 N ATOM 429 CA PHE A 28 -2.372 -6.805 1.414 1.00 0.00 C ATOM 430 C PHE A 28 -1.465 -8.031 1.511 1.00 0.00 C ATOM 431 O PHE A 28 -0.877 -8.473 0.517 1.00 0.00 O ATOM 432 CB PHE A 28 -1.645 -5.551 1.934 1.00 0.00 C ATOM 433 CG PHE A 28 -1.870 -4.291 1.113 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.121 -3.715 1.004 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.807 -3.682 0.448 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.309 -2.564 0.253 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.998 -2.536 -0.296 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.251 -1.981 -0.391 1.00 0.00 C ATOM 0 H PHE A 28 -3.829 -6.337 2.862 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.620 -6.637 0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.967 -5.362 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.575 -5.758 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.962 -4.166 1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.181 -4.114 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.293 -2.126 0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.163 -2.076 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.401 -1.084 -0.974 1.00 0.00 H new ATOM 448 N SER A 29 -1.443 -8.626 2.692 1.00 0.00 N ATOM 449 CA SER A 29 -0.649 -9.807 2.950 1.00 0.00 C ATOM 450 C SER A 29 -1.259 -11.024 2.244 1.00 0.00 C ATOM 451 O SER A 29 -0.543 -11.916 1.783 1.00 0.00 O ATOM 452 CB SER A 29 -0.576 -10.064 4.455 1.00 0.00 C ATOM 453 OG SER A 29 -0.119 -8.915 5.150 1.00 0.00 O ATOM 0 H SER A 29 -1.977 -8.300 3.497 1.00 0.00 H new ATOM 0 HA SER A 29 0.357 -9.645 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.560 -10.349 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.094 -10.901 4.652 1.00 0.00 H new ATOM 0 HG SER A 29 -0.858 -8.279 5.252 1.00 0.00 H new ATOM 459 N ALA A 30 -2.572 -11.015 2.101 1.00 0.00 N ATOM 460 CA ALA A 30 -3.299 -12.130 1.532 1.00 0.00 C ATOM 461 C ALA A 30 -3.053 -12.257 0.044 1.00 0.00 C ATOM 462 O ALA A 30 -2.968 -13.367 -0.494 1.00 0.00 O ATOM 463 CB ALA A 30 -4.782 -11.993 1.814 1.00 0.00 C ATOM 0 H ALA A 30 -3.163 -10.231 2.378 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.931 -13.040 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.315 -12.839 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.947 -11.974 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.152 -11.067 1.374 1.00 0.00 H new ATOM 469 N GLN A 31 -2.915 -11.139 -0.630 1.00 0.00 N ATOM 470 CA GLN A 31 -2.702 -11.187 -2.071 1.00 0.00 C ATOM 471 C GLN A 31 -1.231 -11.048 -2.405 1.00 0.00 C ATOM 472 O GLN A 31 -0.863 -11.038 -3.581 1.00 0.00 O ATOM 473 CB GLN A 31 -3.528 -10.139 -2.839 1.00 0.00 C ATOM 474 CG GLN A 31 -4.654 -9.523 -2.042 1.00 0.00 C ATOM 475 CD GLN A 31 -5.716 -8.859 -2.901 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.444 -8.355 -3.993 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.931 -8.865 -2.423 1.00 0.00 N ATOM 0 H GLN A 31 -2.944 -10.204 -0.224 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.053 -12.166 -2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.861 -9.345 -3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.944 -10.606 -3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.122 -10.297 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.240 -8.784 -1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.120 -9.291 -1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.691 -8.444 -2.957 1.00 0.00 H new ATOM 486 N ASN A 32 -0.383 -10.965 -1.353 1.00 0.00 N ATOM 487 CA ASN A 32 1.066 -10.846 -1.496 1.00 0.00 C ATOM 488 C ASN A 32 1.398 -9.563 -2.208 1.00 0.00 C ATOM 489 O ASN A 32 2.338 -9.509 -3.018 1.00 0.00 O ATOM 490 CB ASN A 32 1.663 -12.036 -2.273 1.00 0.00 C ATOM 491 CG ASN A 32 1.376 -13.391 -1.658 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.120 -13.878 -0.816 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.319 -14.020 -2.099 1.00 0.00 N ATOM 0 H ASN A 32 -0.697 -10.980 -0.383 1.00 0.00 H new ATOM 0 HA ASN A 32 1.502 -10.845 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.273 -12.022 -3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.743 -11.904 -2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.091 -14.948 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.278 -13.583 -2.801 1.00 0.00 H new ATOM 500 N ILE A 33 0.637 -8.522 -1.901 1.00 0.00 N ATOM 501 CA ILE A 33 0.828 -7.245 -2.525 1.00 0.00 C ATOM 502 C ILE A 33 2.162 -6.677 -2.075 1.00 0.00 C ATOM 503 O ILE A 33 2.339 -6.368 -0.916 1.00 0.00 O ATOM 504 CB ILE A 33 -0.316 -6.236 -2.175 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.683 -6.773 -2.633 1.00 0.00 C ATOM 506 CG2 ILE A 33 -0.053 -4.864 -2.814 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.794 -7.009 -4.132 1.00 0.00 C ATOM 0 H ILE A 33 -0.120 -8.550 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 33 0.812 -7.390 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.332 -6.120 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.884 -7.710 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.457 -6.068 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.862 -4.181 -2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.891 -4.465 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.001 -4.971 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.789 -7.387 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.627 -6.071 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.046 -7.738 -4.442 1.00 0.00 H new ATOM 519 N SER A 34 3.104 -6.607 -2.971 1.00 0.00 N ATOM 520 CA SER A 34 4.381 -6.080 -2.637 1.00 0.00 C ATOM 521 C SER A 34 4.440 -4.642 -3.105 1.00 0.00 C ATOM 522 O SER A 34 3.426 -4.090 -3.570 1.00 0.00 O ATOM 523 CB SER A 34 5.475 -6.896 -3.319 1.00 0.00 C ATOM 524 OG SER A 34 5.453 -6.714 -4.717 1.00 0.00 O ATOM 0 H SER A 34 3.004 -6.911 -3.939 1.00 0.00 H new ATOM 0 HA SER A 34 4.536 -6.128 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.449 -6.602 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.343 -7.952 -3.085 1.00 0.00 H new ATOM 0 HG SER A 34 4.607 -7.053 -5.078 1.00 0.00 H new ATOM 530 N GLY A 35 5.627 -4.059 -3.064 1.00 0.00 N ATOM 531 CA GLY A 35 5.815 -2.703 -3.497 1.00 0.00 C ATOM 532 C GLY A 35 5.590 -2.576 -4.980 1.00 0.00 C ATOM 533 O GLY A 35 5.238 -1.511 -5.469 1.00 0.00 O ATOM 0 H GLY A 35 6.475 -4.517 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.126 -2.048 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.824 -2.375 -3.249 1.00 0.00 H new ATOM 537 N GLU A 36 5.746 -3.694 -5.668 1.00 0.00 N ATOM 538 CA GLU A 36 5.543 -3.802 -7.092 1.00 0.00 C ATOM 539 C GLU A 36 4.105 -3.416 -7.434 1.00 0.00 C ATOM 540 O GLU A 36 3.852 -2.608 -8.339 1.00 0.00 O ATOM 541 CB GLU A 36 5.815 -5.243 -7.494 1.00 0.00 C ATOM 542 CG GLU A 36 5.643 -5.555 -8.955 1.00 0.00 C ATOM 543 CD GLU A 36 5.915 -7.000 -9.236 1.00 0.00 C ATOM 544 OE1 GLU A 36 4.975 -7.813 -9.154 1.00 0.00 O ATOM 545 OE2 GLU A 36 7.085 -7.360 -9.529 1.00 0.00 O ATOM 0 H GLU A 36 6.025 -4.574 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 36 6.214 -3.133 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.835 -5.495 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.152 -5.892 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.628 -5.306 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.318 -4.934 -9.544 1.00 0.00 H new ATOM 552 N GLN A 37 3.169 -3.953 -6.669 1.00 0.00 N ATOM 553 CA GLN A 37 1.776 -3.667 -6.897 1.00 0.00 C ATOM 554 C GLN A 37 1.328 -2.440 -6.136 1.00 0.00 C ATOM 555 O GLN A 37 0.331 -1.831 -6.484 1.00 0.00 O ATOM 556 CB GLN A 37 0.832 -4.874 -6.656 1.00 0.00 C ATOM 557 CG GLN A 37 1.368 -6.075 -5.877 1.00 0.00 C ATOM 558 CD GLN A 37 2.473 -6.883 -6.562 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.279 -7.502 -5.886 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.542 -6.862 -7.870 1.00 0.00 N ATOM 0 H GLN A 37 3.354 -4.585 -5.890 1.00 0.00 H new ATOM 0 HA GLN A 37 1.695 -3.452 -7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.050 -4.506 -6.132 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.497 -5.233 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.746 -5.721 -4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.535 -6.745 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.854 -6.336 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.284 -7.372 -8.350 1.00 0.00 H new ATOM 569 N LEU A 38 2.095 -2.092 -5.117 1.00 0.00 N ATOM 570 CA LEU A 38 1.868 -0.916 -4.270 1.00 0.00 C ATOM 571 C LEU A 38 1.983 0.352 -5.135 1.00 0.00 C ATOM 572 O LEU A 38 1.109 1.203 -5.129 1.00 0.00 O ATOM 573 CB LEU A 38 2.961 -0.918 -3.177 1.00 0.00 C ATOM 574 CG LEU A 38 2.792 -0.074 -1.896 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.023 -0.230 -1.026 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.585 1.385 -2.187 1.00 0.00 C ATOM 0 H LEU A 38 2.917 -2.629 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 38 0.879 -0.938 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.100 -1.953 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.890 -0.600 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 38 1.901 -0.439 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.906 0.365 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.148 -1.279 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.901 0.111 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.472 1.930 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.446 1.773 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.687 1.512 -2.791 1.00 0.00 H new ATOM 588 N LEU A 39 3.064 0.438 -5.883 1.00 0.00 N ATOM 589 CA LEU A 39 3.351 1.600 -6.733 1.00 0.00 C ATOM 590 C LEU A 39 2.256 1.847 -7.751 1.00 0.00 C ATOM 591 O LEU A 39 1.865 2.981 -7.995 1.00 0.00 O ATOM 592 CB LEU A 39 4.665 1.382 -7.469 1.00 0.00 C ATOM 593 CG LEU A 39 5.908 1.306 -6.607 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.058 0.723 -7.411 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.266 2.696 -6.076 1.00 0.00 C ATOM 0 H LEU A 39 3.776 -0.291 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 39 3.413 2.472 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.588 0.458 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.794 2.192 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 39 5.715 0.654 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.949 0.671 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.794 -0.278 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.257 1.358 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.161 2.630 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.452 3.368 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.440 3.081 -5.478 1.00 0.00 H new ATOM 607 N GLN A 40 1.771 0.787 -8.329 1.00 0.00 N ATOM 608 CA GLN A 40 0.785 0.901 -9.383 1.00 0.00 C ATOM 609 C GLN A 40 -0.665 0.720 -8.860 1.00 0.00 C ATOM 610 O GLN A 40 -1.595 0.517 -9.646 1.00 0.00 O ATOM 611 CB GLN A 40 1.155 -0.063 -10.544 1.00 0.00 C ATOM 612 CG GLN A 40 1.088 -1.548 -10.215 1.00 0.00 C ATOM 613 CD GLN A 40 -0.275 -2.140 -10.491 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.975 -1.724 -11.422 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.676 -3.072 -9.701 1.00 0.00 N ATOM 0 H GLN A 40 2.037 -0.169 -8.094 1.00 0.00 H new ATOM 0 HA GLN A 40 0.804 1.917 -9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.488 0.135 -11.383 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.166 0.171 -10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.837 -2.081 -10.800 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.339 -1.696 -9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.074 -3.392 -8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.596 -3.491 -9.833 1.00 0.00 H new ATOM 624 N LEU A 41 -0.848 0.824 -7.538 1.00 0.00 N ATOM 625 CA LEU A 41 -2.164 0.746 -6.912 1.00 0.00 C ATOM 626 C LEU A 41 -3.130 1.792 -7.451 1.00 0.00 C ATOM 627 O LEU A 41 -2.730 2.863 -7.927 1.00 0.00 O ATOM 628 CB LEU A 41 -2.073 0.915 -5.407 1.00 0.00 C ATOM 629 CG LEU A 41 -1.645 -0.282 -4.593 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.446 0.157 -3.190 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.696 -1.380 -4.642 1.00 0.00 C ATOM 0 H LEU A 41 -0.085 0.965 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.545 -0.246 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.376 1.727 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.050 1.235 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.720 -0.686 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.136 -0.694 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.676 0.927 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.380 0.560 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.362 -2.230 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.636 -1.002 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.845 -1.696 -5.675 1.00 0.00 H new ATOM 643 N ASP A 42 -4.385 1.482 -7.353 1.00 0.00 N ATOM 644 CA ASP A 42 -5.460 2.333 -7.802 1.00 0.00 C ATOM 645 C ASP A 42 -6.696 1.870 -7.080 1.00 0.00 C ATOM 646 O ASP A 42 -6.645 0.794 -6.458 1.00 0.00 O ATOM 647 CB ASP A 42 -5.647 2.209 -9.330 1.00 0.00 C ATOM 648 CG ASP A 42 -6.778 3.060 -9.857 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.702 4.293 -9.751 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.802 2.499 -10.318 1.00 0.00 O ATOM 0 H ASP A 42 -4.707 0.604 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.248 3.381 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.721 2.496 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.836 1.166 -9.584 1.00 0.00 H new ATOM 655 N GLY A 43 -7.784 2.650 -7.138 1.00 0.00 N ATOM 656 CA GLY A 43 -9.039 2.283 -6.504 1.00 0.00 C ATOM 657 C GLY A 43 -9.462 0.903 -6.875 1.00 0.00 C ATOM 658 O GLY A 43 -9.896 0.169 -6.025 1.00 0.00 O ATOM 0 H GLY A 43 -7.810 3.546 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.934 2.352 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.814 2.992 -6.795 1.00 0.00 H new ATOM 662 N ASN A 44 -9.274 0.539 -8.142 1.00 0.00 N ATOM 663 CA ASN A 44 -9.604 -0.794 -8.634 1.00 0.00 C ATOM 664 C ASN A 44 -8.984 -1.879 -7.788 1.00 0.00 C ATOM 665 O ASN A 44 -9.678 -2.800 -7.344 1.00 0.00 O ATOM 666 CB ASN A 44 -9.213 -0.962 -10.091 1.00 0.00 C ATOM 667 CG ASN A 44 -10.137 -0.232 -11.047 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.160 -0.769 -11.461 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.786 0.975 -11.417 1.00 0.00 N ATOM 0 H ASN A 44 -8.889 1.160 -8.854 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.687 -0.896 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.195 -0.598 -10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.209 -2.023 -10.339 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.370 1.499 -12.069 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.929 1.391 -11.053 1.00 0.00 H new ATOM 676 N LYS A 45 -7.699 -1.750 -7.520 1.00 0.00 N ATOM 677 CA LYS A 45 -7.011 -2.701 -6.676 1.00 0.00 C ATOM 678 C LYS A 45 -7.508 -2.592 -5.250 1.00 0.00 C ATOM 679 O LYS A 45 -7.859 -3.568 -4.654 1.00 0.00 O ATOM 680 CB LYS A 45 -5.501 -2.497 -6.710 1.00 0.00 C ATOM 681 CG LYS A 45 -4.944 -2.411 -8.103 1.00 0.00 C ATOM 682 CD LYS A 45 -3.496 -2.885 -8.188 1.00 0.00 C ATOM 683 CE LYS A 45 -3.309 -4.345 -7.742 1.00 0.00 C ATOM 684 NZ LYS A 45 -4.134 -5.304 -8.516 1.00 0.00 N ATOM 0 H LYS A 45 -7.112 -0.995 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.226 -3.697 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.253 -1.583 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.018 -3.320 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.559 -3.012 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.006 -1.380 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.145 -2.778 -9.214 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.872 -2.240 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.258 -4.617 -7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.561 -4.430 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.925 -6.273 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.142 -5.099 -8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.914 -5.213 -9.528 1.00 0.00 H new ATOM 698 N LEU A 46 -7.599 -1.374 -4.756 1.00 0.00 N ATOM 699 CA LEU A 46 -8.016 -1.085 -3.371 1.00 0.00 C ATOM 700 C LEU A 46 -9.427 -1.624 -3.061 1.00 0.00 C ATOM 701 O LEU A 46 -9.779 -1.895 -1.887 1.00 0.00 O ATOM 702 CB LEU A 46 -7.972 0.415 -3.156 1.00 0.00 C ATOM 703 CG LEU A 46 -6.598 1.080 -3.324 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.722 2.596 -3.330 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.642 0.626 -2.229 1.00 0.00 C ATOM 0 H LEU A 46 -7.386 -0.538 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.329 -1.590 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.667 0.882 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.336 0.629 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.191 0.770 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.734 3.041 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.363 2.905 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.158 2.929 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.675 1.109 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.048 0.899 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.518 -0.456 -2.280 1.00 0.00 H new ATOM 717 N LYS A 47 -10.228 -1.740 -4.094 1.00 0.00 N ATOM 718 CA LYS A 47 -11.547 -2.313 -3.998 1.00 0.00 C ATOM 719 C LYS A 47 -11.447 -3.839 -3.979 1.00 0.00 C ATOM 720 O LYS A 47 -12.146 -4.505 -3.225 1.00 0.00 O ATOM 721 CB LYS A 47 -12.427 -1.829 -5.159 1.00 0.00 C ATOM 722 CG LYS A 47 -12.714 -0.326 -5.131 1.00 0.00 C ATOM 723 CD LYS A 47 -13.228 0.190 -6.478 1.00 0.00 C ATOM 724 CE LYS A 47 -14.557 -0.447 -6.874 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.025 0.010 -8.200 1.00 0.00 N ATOM 0 H LYS A 47 -9.978 -1.435 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.014 -1.986 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.939 -2.079 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.373 -2.371 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.451 -0.113 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.805 0.211 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.347 1.272 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.486 -0.014 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.449 -1.532 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.310 -0.208 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.930 -0.449 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.154 1.042 -8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.320 -0.241 -8.922 1.00 0.00 H new ATOM 739 N ALA A 48 -10.509 -4.371 -4.756 1.00 0.00 N ATOM 740 CA ALA A 48 -10.256 -5.817 -4.832 1.00 0.00 C ATOM 741 C ALA A 48 -9.562 -6.313 -3.558 1.00 0.00 C ATOM 742 O ALA A 48 -9.417 -7.517 -3.329 1.00 0.00 O ATOM 743 CB ALA A 48 -9.419 -6.148 -6.056 1.00 0.00 C ATOM 0 H ALA A 48 -9.898 -3.815 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.215 -6.327 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.242 -7.223 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.949 -5.834 -6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.465 -5.625 -5.996 1.00 0.00 H new ATOM 749 N LEU A 49 -9.137 -5.365 -2.736 1.00 0.00 N ATOM 750 CA LEU A 49 -8.579 -5.636 -1.432 1.00 0.00 C ATOM 751 C LEU A 49 -9.725 -5.836 -0.430 1.00 0.00 C ATOM 752 O LEU A 49 -9.505 -5.988 0.759 1.00 0.00 O ATOM 753 CB LEU A 49 -7.664 -4.479 -0.971 1.00 0.00 C ATOM 754 CG LEU A 49 -6.133 -4.538 -1.299 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.457 -5.689 -0.614 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.847 -4.612 -2.774 1.00 0.00 C ATOM 0 H LEU A 49 -9.173 -4.372 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.972 -6.540 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.057 -3.558 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.765 -4.392 0.111 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.728 -3.600 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.397 -5.692 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.570 -5.588 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.912 -6.624 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.770 -4.650 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.308 -5.508 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.256 -3.731 -3.269 1.00 0.00 H new ATOM 768 N GLY A 50 -10.958 -5.740 -0.928 1.00 0.00 N ATOM 769 CA GLY A 50 -12.149 -6.018 -0.134 1.00 0.00 C ATOM 770 C GLY A 50 -12.413 -5.022 0.978 1.00 0.00 C ATOM 771 O GLY A 50 -13.346 -5.193 1.752 1.00 0.00 O ATOM 0 H GLY A 50 -11.156 -5.468 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.014 -6.041 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.055 -7.013 0.302 1.00 0.00 H new ATOM 775 N MET A 51 -11.612 -3.988 1.060 1.00 0.00 N ATOM 776 CA MET A 51 -11.794 -3.010 2.116 1.00 0.00 C ATOM 777 C MET A 51 -12.640 -1.865 1.599 1.00 0.00 C ATOM 778 O MET A 51 -13.613 -1.469 2.227 1.00 0.00 O ATOM 779 CB MET A 51 -10.458 -2.516 2.636 1.00 0.00 C ATOM 780 CG MET A 51 -10.553 -1.693 3.913 1.00 0.00 C ATOM 781 SD MET A 51 -11.234 -2.626 5.302 1.00 0.00 S ATOM 782 CE MET A 51 -11.225 -1.364 6.580 1.00 0.00 C ATOM 0 H MET A 51 -10.839 -3.799 0.422 1.00 0.00 H new ATOM 0 HA MET A 51 -12.310 -3.480 2.953 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.811 -3.374 2.817 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.980 -1.914 1.863 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.561 -1.328 4.179 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.176 -0.818 3.730 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.534 -1.804 7.528 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.220 -0.955 6.680 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.916 -0.566 6.308 1.00 0.00 H new ATOM 792 N THR A 52 -12.255 -1.354 0.418 1.00 0.00 N ATOM 793 CA THR A 52 -12.967 -0.316 -0.369 1.00 0.00 C ATOM 794 C THR A 52 -13.176 1.048 0.355 1.00 0.00 C ATOM 795 O THR A 52 -13.748 1.977 -0.230 1.00 0.00 O ATOM 796 CB THR A 52 -14.333 -0.852 -0.897 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.236 -1.141 0.180 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.139 -2.116 -1.711 1.00 0.00 C ATOM 0 H THR A 52 -11.399 -1.664 -0.042 1.00 0.00 H new ATOM 0 HA THR A 52 -12.295 -0.104 -1.200 1.00 0.00 H new ATOM 0 HB THR A 52 -14.758 -0.068 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.790 -0.971 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.106 -2.471 -2.068 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.493 -1.905 -2.563 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.679 -2.883 -1.088 1.00 0.00 H new ATOM 806 N SER A 53 -12.659 1.165 1.548 1.00 0.00 N ATOM 807 CA SER A 53 -12.843 2.293 2.426 1.00 0.00 C ATOM 808 C SER A 53 -12.445 3.640 1.795 1.00 0.00 C ATOM 809 O SER A 53 -11.317 3.832 1.357 1.00 0.00 O ATOM 810 CB SER A 53 -12.059 1.993 3.650 1.00 0.00 C ATOM 811 OG SER A 53 -12.456 0.741 4.168 1.00 0.00 O ATOM 0 H SER A 53 -12.068 0.441 1.956 1.00 0.00 H new ATOM 0 HA SER A 53 -13.902 2.420 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.994 1.982 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.215 2.773 4.395 1.00 0.00 H new ATOM 0 HG SER A 53 -12.943 0.874 5.008 1.00 0.00 H new ATOM 817 N SER A 54 -13.393 4.554 1.781 1.00 0.00 N ATOM 818 CA SER A 54 -13.278 5.827 1.115 1.00 0.00 C ATOM 819 C SER A 54 -12.146 6.727 1.657 1.00 0.00 C ATOM 820 O SER A 54 -11.346 7.244 0.859 1.00 0.00 O ATOM 821 CB SER A 54 -14.633 6.551 1.142 1.00 0.00 C ATOM 822 OG SER A 54 -14.616 7.763 0.398 1.00 0.00 O ATOM 0 H SER A 54 -14.290 4.424 2.248 1.00 0.00 H new ATOM 0 HA SER A 54 -12.994 5.615 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.402 5.892 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.906 6.766 2.175 1.00 0.00 H new ATOM 0 HG SER A 54 -15.499 8.187 0.443 1.00 0.00 H new ATOM 828 N GLN A 55 -12.044 6.895 2.994 1.00 0.00 N ATOM 829 CA GLN A 55 -11.035 7.808 3.568 1.00 0.00 C ATOM 830 C GLN A 55 -9.665 7.268 3.253 1.00 0.00 C ATOM 831 O GLN A 55 -8.731 8.004 2.897 1.00 0.00 O ATOM 832 CB GLN A 55 -11.230 7.991 5.125 1.00 0.00 C ATOM 833 CG GLN A 55 -10.445 7.023 6.047 1.00 0.00 C ATOM 834 CD GLN A 55 -8.958 7.411 6.256 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.612 8.592 6.272 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.070 6.429 6.321 1.00 0.00 N ATOM 0 H GLN A 55 -12.633 6.423 3.680 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.153 8.796 3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.948 9.011 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.292 7.887 5.349 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.939 6.983 7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.491 6.019 5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.382 5.458 6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.075 6.645 6.386 1.00 0.00 H new ATOM 845 N ASP A 56 -9.590 5.969 3.326 1.00 0.00 N ATOM 846 CA ASP A 56 -8.385 5.229 3.193 1.00 0.00 C ATOM 847 C ASP A 56 -7.921 5.288 1.793 1.00 0.00 C ATOM 848 O ASP A 56 -6.783 5.637 1.543 1.00 0.00 O ATOM 849 CB ASP A 56 -8.637 3.803 3.652 1.00 0.00 C ATOM 850 CG ASP A 56 -9.215 3.804 5.048 1.00 0.00 C ATOM 851 OD1 ASP A 56 -10.456 3.864 5.195 1.00 0.00 O ATOM 852 OD2 ASP A 56 -8.461 3.860 6.006 1.00 0.00 O ATOM 0 H ASP A 56 -10.407 5.380 3.487 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.597 5.654 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.323 3.307 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.706 3.237 3.636 1.00 0.00 H new ATOM 857 N ARG A 57 -8.835 5.051 0.866 1.00 0.00 N ATOM 858 CA ARG A 57 -8.533 5.089 -0.552 1.00 0.00 C ATOM 859 C ARG A 57 -8.215 6.471 -1.067 1.00 0.00 C ATOM 860 O ARG A 57 -7.764 6.623 -2.183 1.00 0.00 O ATOM 861 CB ARG A 57 -9.614 4.462 -1.369 1.00 0.00 C ATOM 862 CG ARG A 57 -9.742 2.984 -1.131 1.00 0.00 C ATOM 863 CD ARG A 57 -10.543 2.363 -2.216 1.00 0.00 C ATOM 864 NE ARG A 57 -11.944 2.804 -2.220 1.00 0.00 N ATOM 865 CZ ARG A 57 -12.570 3.320 -3.271 1.00 0.00 C ATOM 866 NH1 ARG A 57 -11.874 3.809 -4.281 1.00 0.00 N ATOM 867 NH2 ARG A 57 -13.891 3.426 -3.266 1.00 0.00 N ATOM 0 H ARG A 57 -9.807 4.827 1.078 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.624 4.497 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.563 4.946 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.413 4.639 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.753 2.527 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.217 2.802 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.090 2.603 -3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.510 1.279 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.474 2.707 -1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.855 3.790 -4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.356 4.205 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.425 3.111 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.374 3.822 -4.072 1.00 0.00 H new ATOM 881 N ALA A 58 -8.476 7.469 -0.278 1.00 0.00 N ATOM 882 CA ALA A 58 -8.091 8.810 -0.632 1.00 0.00 C ATOM 883 C ALA A 58 -6.677 9.073 -0.123 1.00 0.00 C ATOM 884 O ALA A 58 -5.893 9.799 -0.739 1.00 0.00 O ATOM 885 CB ALA A 58 -9.067 9.812 -0.039 1.00 0.00 C ATOM 0 H ALA A 58 -8.955 7.384 0.618 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.110 8.921 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.764 10.822 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.068 9.616 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.070 9.718 1.047 1.00 0.00 H new ATOM 891 N LEU A 59 -6.328 8.421 0.967 1.00 0.00 N ATOM 892 CA LEU A 59 -5.046 8.644 1.595 1.00 0.00 C ATOM 893 C LEU A 59 -3.972 7.773 0.985 1.00 0.00 C ATOM 894 O LEU A 59 -2.863 8.241 0.693 1.00 0.00 O ATOM 895 CB LEU A 59 -5.089 8.407 3.094 1.00 0.00 C ATOM 896 CG LEU A 59 -3.789 8.779 3.804 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.442 10.239 3.548 1.00 0.00 C ATOM 898 CD2 LEU A 59 -3.863 8.492 5.280 1.00 0.00 C ATOM 0 H LEU A 59 -6.916 7.732 1.435 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.804 9.692 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.907 8.986 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.309 7.356 3.282 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.993 8.158 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.513 10.488 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.320 10.402 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.244 10.875 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.921 8.769 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.674 9.070 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.048 7.429 5.435 1.00 0.00 H new ATOM 910 N VAL A 60 -4.292 6.506 0.784 1.00 0.00 N ATOM 911 CA VAL A 60 -3.371 5.568 0.156 1.00 0.00 C ATOM 912 C VAL A 60 -3.053 6.037 -1.265 1.00 0.00 C ATOM 913 O VAL A 60 -1.962 5.868 -1.754 1.00 0.00 O ATOM 914 CB VAL A 60 -3.938 4.100 0.134 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.306 4.059 -0.507 1.00 0.00 C ATOM 916 CG2 VAL A 60 -3.000 3.208 -0.626 1.00 0.00 C ATOM 0 H VAL A 60 -5.189 6.099 1.048 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.458 5.547 0.751 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.028 3.751 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.676 3.034 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.992 4.690 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.239 4.423 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.395 2.192 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.900 3.572 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.023 3.211 -0.142 1.00 0.00 H new ATOM 926 N LYS A 61 -3.984 6.764 -1.821 1.00 0.00 N ATOM 927 CA LYS A 61 -3.938 7.220 -3.199 1.00 0.00 C ATOM 928 C LYS A 61 -2.927 8.346 -3.317 1.00 0.00 C ATOM 929 O LYS A 61 -2.298 8.557 -4.349 1.00 0.00 O ATOM 930 CB LYS A 61 -5.330 7.687 -3.592 1.00 0.00 C ATOM 931 CG LYS A 61 -5.524 8.045 -5.049 1.00 0.00 C ATOM 932 CD LYS A 61 -5.233 6.869 -5.975 1.00 0.00 C ATOM 933 CE LYS A 61 -5.639 7.231 -7.374 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.266 6.210 -8.396 1.00 0.00 N ATOM 0 H LYS A 61 -4.820 7.068 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.630 6.417 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.041 6.902 -3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.583 8.558 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.548 8.383 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.871 8.878 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.172 6.620 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.778 5.985 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.718 7.380 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.179 8.182 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.899 6.686 -9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.534 5.582 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.105 5.649 -8.649 1.00 0.00 H new ATOM 948 N LYS A 62 -2.757 9.013 -2.221 1.00 0.00 N ATOM 949 CA LYS A 62 -1.821 10.087 -2.098 1.00 0.00 C ATOM 950 C LYS A 62 -0.450 9.501 -1.837 1.00 0.00 C ATOM 951 O LYS A 62 0.522 9.842 -2.495 1.00 0.00 O ATOM 952 CB LYS A 62 -2.260 11.012 -0.941 1.00 0.00 C ATOM 953 CG LYS A 62 -1.227 12.050 -0.516 1.00 0.00 C ATOM 954 CD LYS A 62 -1.729 12.946 0.619 1.00 0.00 C ATOM 955 CE LYS A 62 -2.881 13.840 0.188 1.00 0.00 C ATOM 956 NZ LYS A 62 -2.488 14.775 -0.887 1.00 0.00 N ATOM 0 H LYS A 62 -3.277 8.822 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.785 10.678 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.172 11.530 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.509 10.395 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.316 11.542 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.964 12.669 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.049 12.324 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.908 13.565 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.710 13.221 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.240 14.407 1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.213 15.514 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.576 15.214 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.398 14.255 -1.783 1.00 0.00 H new ATOM 970 N LYS A 63 -0.417 8.561 -0.934 1.00 0.00 N ATOM 971 CA LYS A 63 0.804 7.956 -0.491 1.00 0.00 C ATOM 972 C LYS A 63 1.462 7.137 -1.606 1.00 0.00 C ATOM 973 O LYS A 63 2.663 7.219 -1.807 1.00 0.00 O ATOM 974 CB LYS A 63 0.526 7.072 0.700 1.00 0.00 C ATOM 975 CG LYS A 63 1.518 7.264 1.837 1.00 0.00 C ATOM 976 CD LYS A 63 1.401 8.649 2.489 1.00 0.00 C ATOM 977 CE LYS A 63 0.022 8.899 3.131 1.00 0.00 C ATOM 978 NZ LYS A 63 0.013 10.178 3.898 1.00 0.00 N ATOM 0 H LYS A 63 -1.251 8.189 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 63 1.495 8.751 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.480 7.275 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.546 6.030 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.354 6.495 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.531 7.128 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.174 8.752 3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.590 9.415 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.744 8.930 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.230 8.071 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.522 10.050 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.990 10.455 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.435 10.922 3.326 1.00 0.00 H new ATOM 992 N LEU A 64 0.652 6.389 -2.347 1.00 0.00 N ATOM 993 CA LEU A 64 1.133 5.512 -3.404 1.00 0.00 C ATOM 994 C LEU A 64 1.818 6.279 -4.525 1.00 0.00 C ATOM 995 O LEU A 64 2.760 5.784 -5.151 1.00 0.00 O ATOM 996 CB LEU A 64 -0.001 4.581 -3.931 1.00 0.00 C ATOM 997 CG LEU A 64 -1.153 5.203 -4.770 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.766 5.379 -6.229 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.421 4.375 -4.659 1.00 0.00 C ATOM 0 H LEU A 64 -0.361 6.375 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 64 1.898 4.871 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.465 3.804 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.450 4.088 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.344 6.193 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.601 5.816 -6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.099 6.038 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.518 4.409 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.209 4.834 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.230 3.366 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.736 4.329 -3.616 1.00 0.00 H new ATOM 1011 N LYS A 65 1.388 7.494 -4.755 1.00 0.00 N ATOM 1012 CA LYS A 65 1.969 8.251 -5.858 1.00 0.00 C ATOM 1013 C LYS A 65 3.226 9.005 -5.425 1.00 0.00 C ATOM 1014 O LYS A 65 3.985 9.505 -6.259 1.00 0.00 O ATOM 1015 CB LYS A 65 0.948 9.186 -6.515 1.00 0.00 C ATOM 1016 CG LYS A 65 0.450 10.305 -5.625 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.650 11.132 -6.309 1.00 0.00 C ATOM 1018 CE LYS A 65 -0.205 11.731 -7.655 1.00 0.00 C ATOM 1019 NZ LYS A 65 0.924 12.682 -7.532 1.00 0.00 N ATOM 0 H LYS A 65 0.665 7.975 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 65 2.269 7.527 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.397 9.622 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.094 8.595 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.065 9.886 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.283 10.956 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.524 10.501 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.957 11.938 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.083 10.922 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.051 12.241 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.174 13.048 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.647 13.472 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.746 12.194 -7.121 1.00 0.00 H new ATOM 1033 N GLU A 66 3.468 9.058 -4.134 1.00 0.00 N ATOM 1034 CA GLU A 66 4.635 9.750 -3.622 1.00 0.00 C ATOM 1035 C GLU A 66 5.605 8.760 -3.002 1.00 0.00 C ATOM 1036 O GLU A 66 6.622 9.168 -2.421 1.00 0.00 O ATOM 1037 CB GLU A 66 4.237 10.791 -2.589 1.00 0.00 C ATOM 1038 CG GLU A 66 3.560 10.182 -1.399 1.00 0.00 C ATOM 1039 CD GLU A 66 3.146 11.187 -0.363 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.196 11.955 -0.597 1.00 0.00 O ATOM 1041 OE2 GLU A 66 3.776 11.235 0.722 1.00 0.00 O ATOM 0 H GLU A 66 2.876 8.633 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 66 5.121 10.255 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.125 11.332 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.571 11.520 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.679 9.634 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.232 9.456 -0.941 1.00 0.00 H new ATOM 1048 N MET A 67 5.312 7.448 -3.169 1.00 0.00 N ATOM 1049 CA MET A 67 6.136 6.336 -2.618 1.00 0.00 C ATOM 1050 C MET A 67 7.590 6.538 -2.866 1.00 0.00 C ATOM 1051 O MET A 67 8.396 6.202 -2.056 1.00 0.00 O ATOM 1052 CB MET A 67 5.761 4.985 -3.214 1.00 0.00 C ATOM 1053 CG MET A 67 4.424 4.504 -2.798 1.00 0.00 C ATOM 1054 SD MET A 67 4.273 4.436 -1.017 1.00 0.00 S ATOM 1055 CE MET A 67 5.578 3.286 -0.590 1.00 0.00 C ATOM 0 H MET A 67 4.496 7.126 -3.690 1.00 0.00 H new ATOM 0 HA MET A 67 5.931 6.341 -1.547 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.790 5.056 -4.301 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.510 4.248 -2.923 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.657 5.164 -3.204 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.247 3.513 -3.217 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.545 3.079 0.480 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.440 2.357 -1.144 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.544 3.721 -0.845 1.00 0.00 H new ATOM 1065 N LYS A 68 7.886 7.141 -3.975 1.00 0.00 N ATOM 1066 CA LYS A 68 9.251 7.443 -4.414 1.00 0.00 C ATOM 1067 C LYS A 68 10.079 8.142 -3.324 1.00 0.00 C ATOM 1068 O LYS A 68 11.243 7.816 -3.107 1.00 0.00 O ATOM 1069 CB LYS A 68 9.192 8.269 -5.699 1.00 0.00 C ATOM 1070 CG LYS A 68 8.261 9.487 -5.623 1.00 0.00 C ATOM 1071 CD LYS A 68 8.197 10.263 -6.938 1.00 0.00 C ATOM 1072 CE LYS A 68 7.663 9.430 -8.107 1.00 0.00 C ATOM 1073 NZ LYS A 68 6.281 8.938 -7.893 1.00 0.00 N ATOM 0 H LYS A 68 7.175 7.455 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 68 9.765 6.503 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.198 8.610 -5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.864 7.626 -6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.258 9.156 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.603 10.152 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.562 11.139 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.194 10.627 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.690 10.032 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.324 8.578 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.741 9.024 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.309 7.941 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.822 9.504 -7.151 1.00 0.00 H new ATOM 1087 N MET A 69 9.468 9.056 -2.627 1.00 0.00 N ATOM 1088 CA MET A 69 10.141 9.739 -1.547 1.00 0.00 C ATOM 1089 C MET A 69 9.613 9.244 -0.211 1.00 0.00 C ATOM 1090 O MET A 69 10.305 9.274 0.801 1.00 0.00 O ATOM 1091 CB MET A 69 9.983 11.270 -1.655 1.00 0.00 C ATOM 1092 CG MET A 69 8.541 11.757 -1.716 1.00 0.00 C ATOM 1093 SD MET A 69 8.403 13.551 -1.616 1.00 0.00 S ATOM 1094 CE MET A 69 6.634 13.757 -1.825 1.00 0.00 C ATOM 0 H MET A 69 8.504 9.350 -2.783 1.00 0.00 H new ATOM 0 HA MET A 69 11.205 9.514 -1.618 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.473 11.734 -0.799 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.507 11.614 -2.547 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.086 11.414 -2.645 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.976 11.308 -0.899 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.384 14.817 -1.787 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.331 13.347 -2.789 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.110 13.232 -1.027 1.00 0.00 H new ATOM 1104 N SER A 70 8.412 8.733 -0.222 1.00 0.00 N ATOM 1105 CA SER A 70 7.764 8.323 0.996 1.00 0.00 C ATOM 1106 C SER A 70 8.191 6.930 1.478 1.00 0.00 C ATOM 1107 O SER A 70 8.079 6.631 2.665 1.00 0.00 O ATOM 1108 CB SER A 70 6.270 8.494 0.855 1.00 0.00 C ATOM 1109 OG SER A 70 6.021 9.857 0.533 1.00 0.00 O ATOM 0 H SER A 70 7.858 8.590 -1.067 1.00 0.00 H new ATOM 0 HA SER A 70 8.099 8.978 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.882 7.839 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.764 8.221 1.781 1.00 0.00 H new ATOM 0 HG SER A 70 5.161 10.132 0.915 1.00 0.00 H new ATOM 1115 N LEU A 71 8.715 6.097 0.573 1.00 0.00 N ATOM 1116 CA LEU A 71 9.273 4.801 0.955 1.00 0.00 C ATOM 1117 C LEU A 71 10.464 5.022 1.838 1.00 0.00 C ATOM 1118 O LEU A 71 10.764 4.242 2.736 1.00 0.00 O ATOM 1119 CB LEU A 71 9.689 4.001 -0.305 1.00 0.00 C ATOM 1120 CG LEU A 71 10.858 4.541 -1.208 1.00 0.00 C ATOM 1121 CD1 LEU A 71 12.244 4.158 -0.691 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.697 4.084 -2.635 1.00 0.00 C ATOM 0 H LEU A 71 8.763 6.299 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 71 8.518 4.227 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.963 2.997 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.806 3.902 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 71 10.789 5.628 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.006 4.561 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.385 4.567 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.331 3.072 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.519 4.472 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.704 2.995 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.751 4.454 -3.031 1.00 0.00 H new ATOM 1134 N GLU A 72 11.135 6.104 1.559 1.00 0.00 N ATOM 1135 CA GLU A 72 12.319 6.454 2.243 1.00 0.00 C ATOM 1136 C GLU A 72 12.031 6.938 3.657 1.00 0.00 C ATOM 1137 O GLU A 72 12.716 6.553 4.618 1.00 0.00 O ATOM 1138 CB GLU A 72 13.108 7.502 1.441 1.00 0.00 C ATOM 1139 CG GLU A 72 14.029 8.374 2.285 1.00 0.00 C ATOM 1140 CD GLU A 72 14.951 9.234 1.468 1.00 0.00 C ATOM 1141 OE1 GLU A 72 16.069 8.773 1.139 1.00 0.00 O ATOM 1142 OE2 GLU A 72 14.588 10.389 1.137 1.00 0.00 O ATOM 0 H GLU A 72 10.859 6.769 0.836 1.00 0.00 H new ATOM 0 HA GLU A 72 12.933 5.558 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.703 6.991 0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.403 8.144 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.424 9.013 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.624 7.735 2.938 1.00 0.00 H new ATOM 1149 N LYS A 73 10.987 7.721 3.787 1.00 0.00 N ATOM 1150 CA LYS A 73 10.668 8.393 5.043 1.00 0.00 C ATOM 1151 C LYS A 73 9.766 7.531 5.913 1.00 0.00 C ATOM 1152 O LYS A 73 9.003 8.023 6.753 1.00 0.00 O ATOM 1153 CB LYS A 73 10.013 9.733 4.750 1.00 0.00 C ATOM 1154 CG LYS A 73 10.812 10.612 3.808 1.00 0.00 C ATOM 1155 CD LYS A 73 10.003 11.809 3.381 1.00 0.00 C ATOM 1156 CE LYS A 73 10.688 12.568 2.264 1.00 0.00 C ATOM 1157 NZ LYS A 73 9.840 13.662 1.746 1.00 0.00 N ATOM 0 H LYS A 73 10.330 7.916 3.032 1.00 0.00 H new ATOM 0 HA LYS A 73 11.593 8.560 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.027 9.558 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.862 10.266 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.727 10.942 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.110 10.037 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.016 11.484 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.852 12.471 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.630 12.979 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.931 11.881 1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.527 13.432 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.009 13.778 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.386 14.547 1.731 1.00 0.00 H new ATOM 1171 N ALA A 74 9.872 6.269 5.717 1.00 0.00 N ATOM 1172 CA ALA A 74 9.156 5.312 6.471 1.00 0.00 C ATOM 1173 C ALA A 74 9.913 5.073 7.761 1.00 0.00 C ATOM 1174 O ALA A 74 10.928 4.335 7.735 1.00 0.00 O ATOM 1175 CB ALA A 74 9.046 4.050 5.665 1.00 0.00 C ATOM 1176 OXT ALA A 74 9.544 5.655 8.803 1.00 0.00 O ATOM 0 H ALA A 74 10.479 5.862 5.005 1.00 0.00 H new ATOM 0 HA ALA A 74 8.150 5.658 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.495 3.301 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.519 4.258 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.044 3.673 5.441 1.00 0.00 H new TER 1182 ALA A 74