USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 7 SER OG : rot 180:sc= 0.057 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0942 USER MOD Single : A 13 GLN : amide:sc= -1.89 K(o=-1.9,f=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.963 K(o=0.96,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.03 K(o=-1,f=-3.7!) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.12 (180deg=0.986) USER MOD Single : A 27 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=-0.0016) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 34 CYS SG : rot 75:sc= 0.207 USER MOD Single : A 43 THR OG1 : rot 116:sc= -0.133 USER MOD Single : A 46 GLN : amide:sc= -0.427 K(o=-0.43,f=-3.2!) USER MOD Single : A 47 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 48 GLN : amide:sc= -1.45 K(o=-1.4,f=-4.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.35 K(o=-1.3,f=0.23) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 66 SER OG : rot -150:sc= -0.313 USER MOD Single : A 68 CYS SG : rot 180:sc= 0.22 USER MOD Single : A 70 SER OG : rot 180:sc= 0.117 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.830 8.167 -9.638 1.00 0.00 N ATOM 2 CA MET A 1 20.250 6.981 -9.025 1.00 0.00 C ATOM 3 C MET A 1 20.300 5.791 -9.973 1.00 0.00 C ATOM 4 O MET A 1 19.374 5.556 -10.752 1.00 0.00 O ATOM 5 CB MET A 1 18.806 7.252 -8.597 1.00 0.00 C ATOM 6 CG MET A 1 18.448 6.643 -7.249 1.00 0.00 C ATOM 7 SD MET A 1 16.702 6.843 -6.832 1.00 0.00 S ATOM 8 CE MET A 1 16.799 8.149 -5.608 1.00 0.00 C ATOM 0 H1 MET A 1 20.782 8.962 -8.969 1.00 0.00 H new ATOM 0 H2 MET A 1 21.823 7.980 -9.884 1.00 0.00 H new ATOM 0 H3 MET A 1 20.299 8.407 -10.500 1.00 0.00 H new ATOM 0 HA MET A 1 20.842 6.738 -8.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.644 8.329 -8.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.130 6.858 -9.356 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.695 5.581 -7.258 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.058 7.106 -6.473 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.797 8.388 -5.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.413 7.818 -4.771 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.245 9.036 -6.057 1.00 0.00 H new ATOM 18 N SER A 2 21.390 5.049 -9.908 1.00 0.00 N ATOM 19 CA SER A 2 21.540 3.839 -10.699 1.00 0.00 C ATOM 20 C SER A 2 21.038 2.634 -9.910 1.00 0.00 C ATOM 21 O SER A 2 21.824 1.880 -9.338 1.00 0.00 O ATOM 22 CB SER A 2 23.010 3.654 -11.087 1.00 0.00 C ATOM 23 OG SER A 2 23.818 4.671 -10.509 1.00 0.00 O ATOM 0 H SER A 2 22.190 5.264 -9.312 1.00 0.00 H new ATOM 0 HA SER A 2 20.946 3.927 -11.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.358 2.675 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.110 3.677 -12.172 1.00 0.00 H new ATOM 0 HG SER A 2 24.753 4.533 -10.768 1.00 0.00 H new ATOM 29 N ALA A 3 19.723 2.465 -9.867 1.00 0.00 N ATOM 30 CA ALA A 3 19.118 1.388 -9.099 1.00 0.00 C ATOM 31 C ALA A 3 17.845 0.889 -9.773 1.00 0.00 C ATOM 32 O ALA A 3 17.577 1.211 -10.931 1.00 0.00 O ATOM 33 CB ALA A 3 18.821 1.853 -7.679 1.00 0.00 C ATOM 0 H ALA A 3 19.055 3.061 -10.356 1.00 0.00 H new ATOM 0 HA ALA A 3 19.826 0.560 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.368 1.037 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.749 2.158 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.133 2.698 -7.709 1.00 0.00 H new ATOM 39 N GLN A 4 17.062 0.116 -9.035 1.00 0.00 N ATOM 40 CA GLN A 4 15.827 -0.457 -9.548 1.00 0.00 C ATOM 41 C GLN A 4 14.785 -0.503 -8.436 1.00 0.00 C ATOM 42 O GLN A 4 15.103 -0.232 -7.276 1.00 0.00 O ATOM 43 CB GLN A 4 16.085 -1.869 -10.089 1.00 0.00 C ATOM 44 CG GLN A 4 15.130 -2.288 -11.192 1.00 0.00 C ATOM 45 CD GLN A 4 15.672 -2.005 -12.579 1.00 0.00 C ATOM 46 OE1 GLN A 4 16.388 -2.824 -13.159 1.00 0.00 O ATOM 47 NE2 GLN A 4 15.330 -0.848 -13.124 1.00 0.00 N ATOM 0 H GLN A 4 17.264 -0.131 -8.066 1.00 0.00 H new ATOM 0 HA GLN A 4 15.455 0.165 -10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 4 17.106 -1.922 -10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 4 16.011 -2.582 -9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 4 14.921 -3.354 -11.099 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.182 -1.765 -11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 4 14.735 -0.198 -12.610 1.00 0.00 H new ATOM 0 HE22 GLN A 4 15.661 -0.607 -14.058 1.00 0.00 H new ATOM 56 N THR A 5 13.556 -0.868 -8.779 1.00 0.00 N ATOM 57 CA THR A 5 12.477 -0.960 -7.803 1.00 0.00 C ATOM 58 C THR A 5 12.581 -2.234 -6.956 1.00 0.00 C ATOM 59 O THR A 5 11.578 -2.752 -6.469 1.00 0.00 O ATOM 60 CB THR A 5 11.102 -0.922 -8.494 1.00 0.00 C ATOM 61 OG1 THR A 5 11.252 -0.515 -9.864 1.00 0.00 O ATOM 62 CG2 THR A 5 10.162 0.039 -7.778 1.00 0.00 C ATOM 0 H THR A 5 13.280 -1.106 -9.732 1.00 0.00 H new ATOM 0 HA THR A 5 12.576 -0.097 -7.145 1.00 0.00 H new ATOM 0 HB THR A 5 10.674 -1.924 -8.455 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.373 -0.495 -10.297 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.197 0.049 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.027 -0.285 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.588 1.042 -7.790 1.00 0.00 H new ATOM 70 N VAL A 6 13.797 -2.734 -6.789 1.00 0.00 N ATOM 71 CA VAL A 6 14.037 -3.892 -5.946 1.00 0.00 C ATOM 72 C VAL A 6 14.207 -3.450 -4.499 1.00 0.00 C ATOM 73 O VAL A 6 13.798 -4.142 -3.567 1.00 0.00 O ATOM 74 CB VAL A 6 15.285 -4.685 -6.398 1.00 0.00 C ATOM 75 CG1 VAL A 6 14.952 -5.562 -7.596 1.00 0.00 C ATOM 76 CG2 VAL A 6 16.446 -3.751 -6.721 1.00 0.00 C ATOM 0 H VAL A 6 14.635 -2.353 -7.229 1.00 0.00 H new ATOM 0 HA VAL A 6 13.173 -4.551 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 6 15.594 -5.326 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.841 -6.113 -7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.164 -6.265 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.611 -4.937 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.309 -4.338 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.156 -3.074 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.705 -3.172 -5.834 1.00 0.00 H new ATOM 86 N SER A 7 14.800 -2.278 -4.325 1.00 0.00 N ATOM 87 CA SER A 7 14.996 -1.700 -3.009 1.00 0.00 C ATOM 88 C SER A 7 13.753 -0.924 -2.579 1.00 0.00 C ATOM 89 O SER A 7 13.751 0.311 -2.543 1.00 0.00 O ATOM 90 CB SER A 7 16.217 -0.785 -3.033 1.00 0.00 C ATOM 91 OG SER A 7 16.948 -0.954 -4.240 1.00 0.00 O ATOM 0 H SER A 7 15.156 -1.705 -5.090 1.00 0.00 H new ATOM 0 HA SER A 7 15.164 -2.499 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.901 0.254 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.859 -1.004 -2.180 1.00 0.00 H new ATOM 0 HG SER A 7 17.726 -0.358 -4.238 1.00 0.00 H new ATOM 97 N GLY A 8 12.689 -1.654 -2.279 1.00 0.00 N ATOM 98 CA GLY A 8 11.455 -1.026 -1.864 1.00 0.00 C ATOM 99 C GLY A 8 11.140 -1.300 -0.408 1.00 0.00 C ATOM 100 O GLY A 8 11.991 -1.095 0.463 1.00 0.00 O ATOM 0 H GLY A 8 12.660 -2.673 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.524 0.050 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.637 -1.388 -2.486 1.00 0.00 H new ATOM 104 N PRO A 9 9.920 -1.762 -0.110 1.00 0.00 N ATOM 105 CA PRO A 9 9.505 -2.092 1.248 1.00 0.00 C ATOM 106 C PRO A 9 10.026 -3.455 1.688 1.00 0.00 C ATOM 107 O PRO A 9 9.816 -4.465 1.013 1.00 0.00 O ATOM 108 CB PRO A 9 7.968 -2.100 1.176 1.00 0.00 C ATOM 109 CG PRO A 9 7.618 -1.720 -0.231 1.00 0.00 C ATOM 110 CD PRO A 9 8.836 -1.992 -1.063 1.00 0.00 C ATOM 0 HA PRO A 9 9.898 -1.382 1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.571 -3.084 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.540 -1.395 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.767 -2.300 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.335 -0.669 -0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.845 -3.011 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.900 -1.323 -1.921 1.00 0.00 H new ATOM 118 N THR A 10 10.718 -3.468 2.812 1.00 0.00 N ATOM 119 CA THR A 10 11.252 -4.694 3.368 1.00 0.00 C ATOM 120 C THR A 10 10.145 -5.502 4.042 1.00 0.00 C ATOM 121 O THR A 10 9.032 -5.007 4.218 1.00 0.00 O ATOM 122 CB THR A 10 12.368 -4.385 4.381 1.00 0.00 C ATOM 123 OG1 THR A 10 12.149 -3.094 4.969 1.00 0.00 O ATOM 124 CG2 THR A 10 13.724 -4.400 3.699 1.00 0.00 C ATOM 0 H THR A 10 10.924 -2.634 3.361 1.00 0.00 H new ATOM 0 HA THR A 10 11.671 -5.284 2.553 1.00 0.00 H new ATOM 0 HB THR A 10 12.351 -5.150 5.157 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.861 -2.903 5.614 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.502 -4.179 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.902 -5.384 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.743 -3.647 2.911 1.00 0.00 H new ATOM 132 N GLU A 11 10.455 -6.739 4.415 1.00 0.00 N ATOM 133 CA GLU A 11 9.470 -7.656 4.993 1.00 0.00 C ATOM 134 C GLU A 11 8.740 -7.039 6.186 1.00 0.00 C ATOM 135 O GLU A 11 7.510 -7.103 6.272 1.00 0.00 O ATOM 136 CB GLU A 11 10.144 -8.958 5.424 1.00 0.00 C ATOM 137 CG GLU A 11 11.119 -9.512 4.396 1.00 0.00 C ATOM 138 CD GLU A 11 12.512 -8.950 4.555 1.00 0.00 C ATOM 139 OE1 GLU A 11 13.258 -9.441 5.426 1.00 0.00 O ATOM 140 OE2 GLU A 11 12.859 -8.000 3.824 1.00 0.00 O ATOM 0 H GLU A 11 11.390 -7.136 4.327 1.00 0.00 H new ATOM 0 HA GLU A 11 8.732 -7.862 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.675 -8.789 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.376 -9.706 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.157 -10.598 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.752 -9.287 3.395 1.00 0.00 H new ATOM 147 N ASP A 12 9.492 -6.427 7.093 1.00 0.00 N ATOM 148 CA ASP A 12 8.906 -5.834 8.292 1.00 0.00 C ATOM 149 C ASP A 12 8.124 -4.576 7.937 1.00 0.00 C ATOM 150 O ASP A 12 7.140 -4.236 8.593 1.00 0.00 O ATOM 151 CB ASP A 12 9.985 -5.518 9.343 1.00 0.00 C ATOM 152 CG ASP A 12 11.054 -4.563 8.846 1.00 0.00 C ATOM 153 OD1 ASP A 12 11.628 -4.813 7.766 1.00 0.00 O ATOM 154 OD2 ASP A 12 11.341 -3.567 9.547 1.00 0.00 O ATOM 0 H ASP A 12 10.505 -6.328 7.023 1.00 0.00 H new ATOM 0 HA ASP A 12 8.220 -6.562 8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.508 -5.089 10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.458 -6.448 9.657 1.00 0.00 H new ATOM 159 N GLN A 13 8.545 -3.900 6.880 1.00 0.00 N ATOM 160 CA GLN A 13 7.848 -2.710 6.416 1.00 0.00 C ATOM 161 C GLN A 13 6.533 -3.084 5.743 1.00 0.00 C ATOM 162 O GLN A 13 5.520 -2.404 5.915 1.00 0.00 O ATOM 163 CB GLN A 13 8.731 -1.910 5.464 1.00 0.00 C ATOM 164 CG GLN A 13 9.781 -1.090 6.187 1.00 0.00 C ATOM 165 CD GLN A 13 9.228 -0.397 7.420 1.00 0.00 C ATOM 166 OE1 GLN A 13 9.707 -0.607 8.531 1.00 0.00 O ATOM 167 NE2 GLN A 13 8.210 0.429 7.235 1.00 0.00 N ATOM 0 H GLN A 13 9.364 -4.154 6.328 1.00 0.00 H new ATOM 0 HA GLN A 13 7.622 -2.086 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.223 -2.593 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.106 -1.246 4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.607 -1.739 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.187 -0.343 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.839 0.579 6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.797 0.916 8.031 1.00 0.00 H new ATOM 176 N VAL A 14 6.554 -4.175 4.988 1.00 0.00 N ATOM 177 CA VAL A 14 5.355 -4.693 4.343 1.00 0.00 C ATOM 178 C VAL A 14 4.351 -5.138 5.402 1.00 0.00 C ATOM 179 O VAL A 14 3.141 -5.082 5.196 1.00 0.00 O ATOM 180 CB VAL A 14 5.691 -5.874 3.401 1.00 0.00 C ATOM 181 CG1 VAL A 14 4.427 -6.541 2.878 1.00 0.00 C ATOM 182 CG2 VAL A 14 6.559 -5.401 2.244 1.00 0.00 C ATOM 0 H VAL A 14 7.396 -4.722 4.807 1.00 0.00 H new ATOM 0 HA VAL A 14 4.919 -3.896 3.741 1.00 0.00 H new ATOM 0 HB VAL A 14 6.246 -6.614 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.697 -7.366 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.843 -6.922 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.834 -5.813 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.786 -6.244 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.026 -4.637 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.487 -4.983 2.633 1.00 0.00 H new ATOM 192 N GLU A 15 4.872 -5.543 6.553 1.00 0.00 N ATOM 193 CA GLU A 15 4.039 -5.942 7.681 1.00 0.00 C ATOM 194 C GLU A 15 3.173 -4.767 8.134 1.00 0.00 C ATOM 195 O GLU A 15 1.958 -4.897 8.297 1.00 0.00 O ATOM 196 CB GLU A 15 4.922 -6.423 8.834 1.00 0.00 C ATOM 197 CG GLU A 15 4.157 -7.095 9.961 1.00 0.00 C ATOM 198 CD GLU A 15 3.331 -8.273 9.491 1.00 0.00 C ATOM 199 OE1 GLU A 15 3.777 -8.997 8.579 1.00 0.00 O ATOM 200 OE2 GLU A 15 2.231 -8.484 10.043 1.00 0.00 O ATOM 0 H GLU A 15 5.875 -5.604 6.731 1.00 0.00 H new ATOM 0 HA GLU A 15 3.387 -6.758 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.662 -7.122 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.470 -5.572 9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.862 -7.432 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.502 -6.364 10.435 1.00 0.00 H new ATOM 207 N ILE A 16 3.812 -3.620 8.317 1.00 0.00 N ATOM 208 CA ILE A 16 3.118 -2.399 8.702 1.00 0.00 C ATOM 209 C ILE A 16 2.246 -1.897 7.550 1.00 0.00 C ATOM 210 O ILE A 16 1.165 -1.345 7.758 1.00 0.00 O ATOM 211 CB ILE A 16 4.126 -1.299 9.107 1.00 0.00 C ATOM 212 CG1 ILE A 16 5.079 -1.823 10.183 1.00 0.00 C ATOM 213 CG2 ILE A 16 3.406 -0.052 9.598 1.00 0.00 C ATOM 214 CD1 ILE A 16 6.432 -1.146 10.178 1.00 0.00 C ATOM 0 H ILE A 16 4.820 -3.510 8.204 1.00 0.00 H new ATOM 0 HA ILE A 16 2.484 -2.627 9.559 1.00 0.00 H new ATOM 0 HB ILE A 16 4.706 -1.028 8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.618 -1.687 11.161 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.218 -2.895 10.042 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.139 0.705 9.876 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.767 0.335 8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.796 -0.302 10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.053 -1.569 10.967 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.914 -1.303 9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.305 -0.077 10.350 1.00 0.00 H new ATOM 226 N LEU A 17 2.724 -2.113 6.333 1.00 0.00 N ATOM 227 CA LEU A 17 2.033 -1.656 5.135 1.00 0.00 C ATOM 228 C LEU A 17 0.734 -2.428 4.906 1.00 0.00 C ATOM 229 O LEU A 17 -0.323 -1.828 4.700 1.00 0.00 O ATOM 230 CB LEU A 17 2.952 -1.802 3.917 1.00 0.00 C ATOM 231 CG LEU A 17 3.326 -0.498 3.211 1.00 0.00 C ATOM 232 CD1 LEU A 17 3.321 0.669 4.183 1.00 0.00 C ATOM 233 CD2 LEU A 17 4.686 -0.630 2.548 1.00 0.00 C ATOM 0 H LEU A 17 3.597 -2.607 6.148 1.00 0.00 H new ATOM 0 HA LEU A 17 1.776 -0.606 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.869 -2.299 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.467 -2.459 3.195 1.00 0.00 H new ATOM 0 HG LEU A 17 2.578 -0.300 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.590 1.584 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.326 0.779 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.043 0.483 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.940 0.305 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.439 -0.854 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.657 -1.436 1.815 1.00 0.00 H new ATOM 245 N GLU A 18 0.817 -3.754 4.959 1.00 0.00 N ATOM 246 CA GLU A 18 -0.343 -4.609 4.723 1.00 0.00 C ATOM 247 C GLU A 18 -1.434 -4.337 5.750 1.00 0.00 C ATOM 248 O GLU A 18 -2.620 -4.276 5.409 1.00 0.00 O ATOM 249 CB GLU A 18 0.058 -6.082 4.769 1.00 0.00 C ATOM 250 CG GLU A 18 0.386 -6.666 3.402 1.00 0.00 C ATOM 251 CD GLU A 18 -0.848 -7.026 2.599 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.929 -7.202 3.199 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.740 -7.152 1.359 1.00 0.00 O ATOM 0 H GLU A 18 1.678 -4.261 5.164 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.733 -4.380 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.925 -6.194 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.753 -6.657 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.982 -5.947 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.001 -7.557 3.532 1.00 0.00 H new ATOM 260 N TYR A 19 -1.027 -4.159 7.002 1.00 0.00 N ATOM 261 CA TYR A 19 -1.967 -3.849 8.069 1.00 0.00 C ATOM 262 C TYR A 19 -2.663 -2.518 7.788 1.00 0.00 C ATOM 263 O TYR A 19 -3.865 -2.382 8.009 1.00 0.00 O ATOM 264 CB TYR A 19 -1.245 -3.827 9.430 1.00 0.00 C ATOM 265 CG TYR A 19 -1.538 -2.616 10.294 1.00 0.00 C ATOM 266 CD1 TYR A 19 -2.722 -2.517 11.019 1.00 0.00 C ATOM 267 CD2 TYR A 19 -0.625 -1.573 10.384 1.00 0.00 C ATOM 268 CE1 TYR A 19 -2.984 -1.413 11.804 1.00 0.00 C ATOM 269 CE2 TYR A 19 -0.881 -0.466 11.168 1.00 0.00 C ATOM 270 CZ TYR A 19 -2.059 -0.391 11.875 1.00 0.00 C ATOM 271 OH TYR A 19 -2.320 0.711 12.653 1.00 0.00 O ATOM 0 H TYR A 19 -0.054 -4.224 7.301 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.729 -4.627 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.520 -4.724 9.984 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.170 -3.877 9.255 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.446 -3.316 10.966 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.301 -1.629 9.831 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.908 -1.349 12.360 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.161 0.337 11.226 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.569 1.338 12.595 1.00 0.00 H new ATOM 281 N ASN A 20 -1.904 -1.555 7.273 1.00 0.00 N ATOM 282 CA ASN A 20 -2.429 -0.220 7.018 1.00 0.00 C ATOM 283 C ASN A 20 -3.418 -0.216 5.863 1.00 0.00 C ATOM 284 O ASN A 20 -4.556 0.203 6.032 1.00 0.00 O ATOM 285 CB ASN A 20 -1.292 0.761 6.737 1.00 0.00 C ATOM 286 CG ASN A 20 -1.303 1.928 7.702 1.00 0.00 C ATOM 287 OD1 ASN A 20 -2.218 2.750 7.687 1.00 0.00 O ATOM 288 ND2 ASN A 20 -0.294 2.000 8.555 1.00 0.00 N ATOM 0 H ASN A 20 -0.922 -1.676 7.024 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.960 0.097 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.337 0.240 6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.377 1.133 5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.254 2.759 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.444 1.296 8.532 1.00 0.00 H new ATOM 295 N PHE A 21 -2.991 -0.706 4.702 1.00 0.00 N ATOM 296 CA PHE A 21 -3.841 -0.713 3.503 1.00 0.00 C ATOM 297 C PHE A 21 -5.152 -1.455 3.774 1.00 0.00 C ATOM 298 O PHE A 21 -6.206 -1.093 3.251 1.00 0.00 O ATOM 299 CB PHE A 21 -3.076 -1.344 2.324 1.00 0.00 C ATOM 300 CG PHE A 21 -3.835 -1.430 1.020 1.00 0.00 C ATOM 301 CD1 PHE A 21 -4.800 -2.405 0.804 1.00 0.00 C ATOM 302 CD2 PHE A 21 -3.555 -0.541 -0.004 1.00 0.00 C ATOM 303 CE1 PHE A 21 -5.473 -2.479 -0.404 1.00 0.00 C ATOM 304 CE2 PHE A 21 -4.221 -0.614 -1.211 1.00 0.00 C ATOM 305 CZ PHE A 21 -5.181 -1.583 -1.412 1.00 0.00 C ATOM 0 H PHE A 21 -2.063 -1.104 4.561 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.093 0.314 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.166 -0.768 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.769 -2.350 2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.028 -3.113 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.804 0.221 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.226 -3.238 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.990 0.088 -1.998 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.703 -1.641 -2.356 1.00 0.00 H new ATOM 315 N ASN A 22 -5.083 -2.478 4.615 1.00 0.00 N ATOM 316 CA ASN A 22 -6.260 -3.270 4.959 1.00 0.00 C ATOM 317 C ASN A 22 -7.113 -2.563 6.011 1.00 0.00 C ATOM 318 O ASN A 22 -8.254 -2.951 6.264 1.00 0.00 O ATOM 319 CB ASN A 22 -5.834 -4.643 5.478 1.00 0.00 C ATOM 320 CG ASN A 22 -5.682 -5.661 4.367 1.00 0.00 C ATOM 321 OD1 ASN A 22 -6.656 -6.266 3.926 1.00 0.00 O ATOM 322 ND2 ASN A 22 -4.454 -5.857 3.910 1.00 0.00 N ATOM 0 H ASN A 22 -4.223 -2.781 5.073 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.860 -3.392 4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.888 -4.549 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.571 -5.001 6.196 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.289 -6.532 3.163 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.673 -5.333 4.305 1.00 0.00 H new ATOM 329 N LYS A 23 -6.557 -1.518 6.611 1.00 0.00 N ATOM 330 CA LYS A 23 -7.223 -0.805 7.695 1.00 0.00 C ATOM 331 C LYS A 23 -7.783 0.537 7.227 1.00 0.00 C ATOM 332 O LYS A 23 -8.975 0.809 7.385 1.00 0.00 O ATOM 333 CB LYS A 23 -6.251 -0.582 8.856 1.00 0.00 C ATOM 334 CG LYS A 23 -6.898 -0.672 10.227 1.00 0.00 C ATOM 335 CD LYS A 23 -6.903 -2.097 10.749 1.00 0.00 C ATOM 336 CE LYS A 23 -6.763 -2.129 12.264 1.00 0.00 C ATOM 337 NZ LYS A 23 -8.079 -2.280 12.941 1.00 0.00 N ATOM 0 H LYS A 23 -5.641 -1.143 6.364 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.058 -1.421 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.451 -1.320 8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.789 0.399 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.362 -0.030 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.921 -0.300 10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.830 -2.591 10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.086 -2.657 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.111 -2.954 12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.284 -1.211 12.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.939 -2.297 13.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.693 -1.480 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.526 -3.169 12.637 1.00 0.00 H new ATOM 351 N VAL A 24 -6.926 1.374 6.649 1.00 0.00 N ATOM 352 CA VAL A 24 -7.326 2.722 6.259 1.00 0.00 C ATOM 353 C VAL A 24 -8.207 2.711 5.015 1.00 0.00 C ATOM 354 O VAL A 24 -9.400 3.012 5.090 1.00 0.00 O ATOM 355 CB VAL A 24 -6.110 3.673 6.032 1.00 0.00 C ATOM 356 CG1 VAL A 24 -5.003 3.021 5.218 1.00 0.00 C ATOM 357 CG2 VAL A 24 -6.550 4.961 5.354 1.00 0.00 C ATOM 0 H VAL A 24 -5.954 1.144 6.441 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.901 3.111 7.099 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.707 3.899 7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.182 3.726 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.642 2.134 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.391 2.734 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.685 5.608 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.999 4.729 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.282 5.471 5.981 1.00 0.00 H new ATOM 367 N ASN A 25 -7.631 2.331 3.888 1.00 0.00 N ATOM 368 CA ASN A 25 -8.280 2.513 2.607 1.00 0.00 C ATOM 369 C ASN A 25 -7.435 1.889 1.509 1.00 0.00 C ATOM 370 O ASN A 25 -6.235 1.680 1.686 1.00 0.00 O ATOM 371 CB ASN A 25 -8.456 4.014 2.355 1.00 0.00 C ATOM 372 CG ASN A 25 -9.246 4.340 1.108 1.00 0.00 C ATOM 373 OD1 ASN A 25 -10.036 3.530 0.616 1.00 0.00 O ATOM 374 ND2 ASN A 25 -9.028 5.534 0.588 1.00 0.00 N ATOM 0 H ASN A 25 -6.711 1.893 3.837 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.256 2.027 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.954 4.460 3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.472 4.477 2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.523 5.821 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.365 6.170 1.031 1.00 0.00 H new ATOM 381 N LYS A 26 -8.057 1.608 0.377 1.00 0.00 N ATOM 382 CA LYS A 26 -7.357 1.021 -0.754 1.00 0.00 C ATOM 383 C LYS A 26 -6.864 2.110 -1.701 1.00 0.00 C ATOM 384 O LYS A 26 -6.729 1.892 -2.899 1.00 0.00 O ATOM 385 CB LYS A 26 -8.268 0.043 -1.503 1.00 0.00 C ATOM 386 CG LYS A 26 -9.716 0.492 -1.591 1.00 0.00 C ATOM 387 CD LYS A 26 -10.661 -0.649 -1.261 1.00 0.00 C ATOM 388 CE LYS A 26 -11.300 -0.465 0.109 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.068 -1.638 0.991 1.00 0.00 N ATOM 0 H LYS A 26 -9.050 1.778 0.216 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.495 0.472 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.880 -0.099 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.228 -0.927 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.886 1.320 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.925 0.863 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.439 -0.710 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.116 -1.593 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.895 0.430 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.372 -0.306 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.547 -1.488 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.447 -2.494 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.047 -1.755 1.152 1.00 0.00 H new ATOM 403 N HIS A 27 -6.602 3.289 -1.159 1.00 0.00 N ATOM 404 CA HIS A 27 -6.138 4.409 -1.960 1.00 0.00 C ATOM 405 C HIS A 27 -5.060 5.175 -1.210 1.00 0.00 C ATOM 406 O HIS A 27 -5.222 5.484 -0.030 1.00 0.00 O ATOM 407 CB HIS A 27 -7.303 5.343 -2.297 1.00 0.00 C ATOM 408 CG HIS A 27 -7.935 5.068 -3.629 1.00 0.00 C ATOM 409 ND1 HIS A 27 -9.287 4.852 -3.789 1.00 0.00 N ATOM 410 CD2 HIS A 27 -7.395 4.969 -4.866 1.00 0.00 C ATOM 411 CE1 HIS A 27 -9.549 4.634 -5.063 1.00 0.00 C ATOM 412 NE2 HIS A 27 -8.420 4.698 -5.738 1.00 0.00 N ATOM 0 H HIS A 27 -6.703 3.495 -0.165 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.719 4.022 -2.889 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.063 5.256 -1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.947 6.373 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.351 5.082 -5.120 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.525 4.436 -5.482 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.323 4.567 -6.745 1.00 0.00 H new ATOM 421 N PRO A 28 -3.941 5.478 -1.882 1.00 0.00 N ATOM 422 CA PRO A 28 -2.845 6.248 -1.293 1.00 0.00 C ATOM 423 C PRO A 28 -3.207 7.723 -1.155 1.00 0.00 C ATOM 424 O PRO A 28 -2.692 8.574 -1.883 1.00 0.00 O ATOM 425 CB PRO A 28 -1.686 6.063 -2.291 1.00 0.00 C ATOM 426 CG PRO A 28 -2.145 5.018 -3.255 1.00 0.00 C ATOM 427 CD PRO A 28 -3.641 5.096 -3.264 1.00 0.00 C ATOM 0 HA PRO A 28 -2.599 5.911 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.459 6.997 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.775 5.751 -1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.739 5.199 -4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.807 4.028 -2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.006 5.834 -3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.097 4.142 -3.531 1.00 0.00 H new ATOM 435 N ASP A 29 -4.118 8.017 -0.233 1.00 0.00 N ATOM 436 CA ASP A 29 -4.548 9.388 0.017 1.00 0.00 C ATOM 437 C ASP A 29 -3.382 10.224 0.518 1.00 0.00 C ATOM 438 O ASP A 29 -2.522 9.725 1.249 1.00 0.00 O ATOM 439 CB ASP A 29 -5.678 9.425 1.048 1.00 0.00 C ATOM 440 CG ASP A 29 -7.039 9.143 0.441 1.00 0.00 C ATOM 441 OD1 ASP A 29 -7.532 9.982 -0.340 1.00 0.00 O ATOM 442 OD2 ASP A 29 -7.629 8.084 0.753 1.00 0.00 O ATOM 0 H ASP A 29 -4.575 7.320 0.356 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.914 9.801 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.475 8.692 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.695 10.404 1.526 1.00 0.00 H new ATOM 447 N PRO A 30 -3.343 11.506 0.136 1.00 0.00 N ATOM 448 CA PRO A 30 -2.268 12.425 0.523 1.00 0.00 C ATOM 449 C PRO A 30 -2.126 12.531 2.036 1.00 0.00 C ATOM 450 O PRO A 30 -1.014 12.586 2.567 1.00 0.00 O ATOM 451 CB PRO A 30 -2.710 13.769 -0.066 1.00 0.00 C ATOM 452 CG PRO A 30 -3.662 13.419 -1.152 1.00 0.00 C ATOM 453 CD PRO A 30 -4.353 12.163 -0.706 1.00 0.00 C ATOM 0 HA PRO A 30 -1.296 12.090 0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.186 14.394 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.859 14.329 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.380 14.223 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.138 13.263 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.263 12.381 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.640 11.539 -1.552 1.00 0.00 H new ATOM 461 N THR A 31 -3.259 12.545 2.721 1.00 0.00 N ATOM 462 CA THR A 31 -3.286 12.622 4.169 1.00 0.00 C ATOM 463 C THR A 31 -2.704 11.357 4.796 1.00 0.00 C ATOM 464 O THR A 31 -1.958 11.416 5.768 1.00 0.00 O ATOM 465 CB THR A 31 -4.730 12.809 4.660 1.00 0.00 C ATOM 466 OG1 THR A 31 -5.641 12.415 3.621 1.00 0.00 O ATOM 467 CG2 THR A 31 -4.989 14.257 5.050 1.00 0.00 C ATOM 0 H THR A 31 -4.182 12.503 2.288 1.00 0.00 H new ATOM 0 HA THR A 31 -2.679 13.476 4.471 1.00 0.00 H new ATOM 0 HB THR A 31 -4.882 12.186 5.542 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.563 12.532 3.933 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.018 14.363 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.307 14.546 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.827 14.901 4.186 1.00 0.00 H new ATOM 475 N THR A 32 -3.046 10.215 4.219 1.00 0.00 N ATOM 476 CA THR A 32 -2.616 8.936 4.748 1.00 0.00 C ATOM 477 C THR A 32 -1.132 8.684 4.491 1.00 0.00 C ATOM 478 O THR A 32 -0.402 8.295 5.401 1.00 0.00 O ATOM 479 CB THR A 32 -3.443 7.796 4.128 1.00 0.00 C ATOM 480 OG1 THR A 32 -4.829 8.169 4.105 1.00 0.00 O ATOM 481 CG2 THR A 32 -3.272 6.504 4.915 1.00 0.00 C ATOM 0 H THR A 32 -3.623 10.151 3.380 1.00 0.00 H new ATOM 0 HA THR A 32 -2.775 8.963 5.826 1.00 0.00 H new ATOM 0 HB THR A 32 -3.088 7.625 3.112 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.356 7.444 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.868 5.716 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.222 6.213 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.604 6.657 5.942 1.00 0.00 H new ATOM 489 N LEU A 33 -0.690 8.955 3.265 1.00 0.00 N ATOM 490 CA LEU A 33 0.648 8.572 2.815 1.00 0.00 C ATOM 491 C LEU A 33 1.746 9.105 3.731 1.00 0.00 C ATOM 492 O LEU A 33 2.474 8.330 4.347 1.00 0.00 O ATOM 493 CB LEU A 33 0.889 9.082 1.393 1.00 0.00 C ATOM 494 CG LEU A 33 0.388 8.167 0.278 1.00 0.00 C ATOM 495 CD1 LEU A 33 0.727 8.756 -1.081 1.00 0.00 C ATOM 496 CD2 LEU A 33 0.979 6.774 0.422 1.00 0.00 C ATOM 0 H LEU A 33 -1.243 9.442 2.560 1.00 0.00 H new ATOM 0 HA LEU A 33 0.691 7.483 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.407 10.054 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.959 9.240 1.258 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.696 8.086 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.364 8.093 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.253 9.732 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.808 8.866 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.610 6.137 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.066 6.833 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.686 6.352 1.383 1.00 0.00 H new ATOM 508 N CYS A 34 1.846 10.418 3.835 1.00 0.00 N ATOM 509 CA CYS A 34 2.929 11.041 4.586 1.00 0.00 C ATOM 510 C CYS A 34 2.790 10.808 6.089 1.00 0.00 C ATOM 511 O CYS A 34 3.783 10.795 6.816 1.00 0.00 O ATOM 512 CB CYS A 34 2.974 12.537 4.284 1.00 0.00 C ATOM 513 SG CYS A 34 2.480 12.951 2.594 1.00 0.00 S ATOM 0 H CYS A 34 1.192 11.076 3.410 1.00 0.00 H new ATOM 0 HA CYS A 34 3.863 10.577 4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.321 13.060 4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.986 12.904 4.458 1.00 0.00 H new ATOM 0 HG CYS A 34 1.190 12.842 2.480 1.00 0.00 H new ATOM 519 N LEU A 35 1.563 10.614 6.554 1.00 0.00 N ATOM 520 CA LEU A 35 1.319 10.426 7.977 1.00 0.00 C ATOM 521 C LEU A 35 1.690 9.016 8.420 1.00 0.00 C ATOM 522 O LEU A 35 2.404 8.833 9.406 1.00 0.00 O ATOM 523 CB LEU A 35 -0.140 10.726 8.314 1.00 0.00 C ATOM 524 CG LEU A 35 -0.403 12.153 8.799 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.891 12.379 9.037 1.00 0.00 C ATOM 526 CD2 LEU A 35 0.393 12.437 10.065 1.00 0.00 C ATOM 0 H LEU A 35 0.727 10.583 5.971 1.00 0.00 H new ATOM 0 HA LEU A 35 1.954 11.126 8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.749 10.539 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.472 10.028 9.083 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.077 12.845 8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.053 13.400 9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.437 12.218 8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.249 11.680 9.793 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.196 13.456 10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.097 11.736 10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.457 12.322 9.859 1.00 0.00 H new ATOM 538 N ILE A 36 1.223 8.015 7.684 1.00 0.00 N ATOM 539 CA ILE A 36 1.490 6.629 8.047 1.00 0.00 C ATOM 540 C ILE A 36 2.934 6.249 7.733 1.00 0.00 C ATOM 541 O ILE A 36 3.492 5.344 8.350 1.00 0.00 O ATOM 542 CB ILE A 36 0.526 5.643 7.350 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.811 5.565 5.850 1.00 0.00 C ATOM 544 CG2 ILE A 36 -0.920 6.051 7.604 1.00 0.00 C ATOM 545 CD1 ILE A 36 0.629 4.180 5.276 1.00 0.00 C ATOM 0 H ILE A 36 0.663 8.135 6.840 1.00 0.00 H new ATOM 0 HA ILE A 36 1.325 6.553 9.122 1.00 0.00 H new ATOM 0 HB ILE A 36 0.687 4.651 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.152 6.257 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.833 5.896 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.589 5.348 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.117 6.044 8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.090 7.053 7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.847 4.197 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.308 3.488 5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.400 3.854 5.431 1.00 0.00 H new ATOM 557 N ALA A 37 3.537 6.950 6.775 1.00 0.00 N ATOM 558 CA ALA A 37 4.936 6.729 6.433 1.00 0.00 C ATOM 559 C ALA A 37 5.830 7.035 7.628 1.00 0.00 C ATOM 560 O ALA A 37 6.826 6.354 7.858 1.00 0.00 O ATOM 561 CB ALA A 37 5.340 7.580 5.240 1.00 0.00 C ATOM 0 H ALA A 37 3.077 7.675 6.224 1.00 0.00 H new ATOM 0 HA ALA A 37 5.060 5.680 6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.388 7.399 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.723 7.318 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.199 8.634 5.480 1.00 0.00 H new ATOM 567 N ALA A 38 5.454 8.053 8.392 1.00 0.00 N ATOM 568 CA ALA A 38 6.190 8.423 9.592 1.00 0.00 C ATOM 569 C ALA A 38 6.068 7.334 10.654 1.00 0.00 C ATOM 570 O ALA A 38 7.040 6.992 11.330 1.00 0.00 O ATOM 571 CB ALA A 38 5.681 9.751 10.132 1.00 0.00 C ATOM 0 H ALA A 38 4.641 8.638 8.200 1.00 0.00 H new ATOM 0 HA ALA A 38 7.243 8.532 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.239 10.017 11.030 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.816 10.526 9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.622 9.663 10.376 1.00 0.00 H new ATOM 577 N GLU A 39 4.867 6.782 10.777 1.00 0.00 N ATOM 578 CA GLU A 39 4.592 5.724 11.744 1.00 0.00 C ATOM 579 C GLU A 39 5.307 4.430 11.360 1.00 0.00 C ATOM 580 O GLU A 39 5.729 3.657 12.221 1.00 0.00 O ATOM 581 CB GLU A 39 3.081 5.480 11.830 1.00 0.00 C ATOM 582 CG GLU A 39 2.626 4.901 13.158 1.00 0.00 C ATOM 583 CD GLU A 39 1.426 5.630 13.727 1.00 0.00 C ATOM 584 OE1 GLU A 39 0.286 5.327 13.311 1.00 0.00 O ATOM 585 OE2 GLU A 39 1.615 6.507 14.594 1.00 0.00 O ATOM 0 H GLU A 39 4.061 7.052 10.214 1.00 0.00 H new ATOM 0 HA GLU A 39 4.965 6.043 12.717 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.560 6.422 11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.786 4.802 11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.378 3.848 13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.448 4.948 13.872 1.00 0.00 H new ATOM 592 N ALA A 40 5.439 4.197 10.061 1.00 0.00 N ATOM 593 CA ALA A 40 6.066 2.981 9.562 1.00 0.00 C ATOM 594 C ALA A 40 7.578 3.138 9.431 1.00 0.00 C ATOM 595 O ALA A 40 8.312 2.150 9.432 1.00 0.00 O ATOM 596 CB ALA A 40 5.462 2.601 8.219 1.00 0.00 C ATOM 0 H ALA A 40 5.119 4.836 9.333 1.00 0.00 H new ATOM 0 HA ALA A 40 5.878 2.187 10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.936 1.691 7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.392 2.431 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.625 3.408 7.505 1.00 0.00 H new ATOM 602 N GLY A 41 8.037 4.376 9.318 1.00 0.00 N ATOM 603 CA GLY A 41 9.454 4.631 9.128 1.00 0.00 C ATOM 604 C GLY A 41 9.860 4.519 7.668 1.00 0.00 C ATOM 605 O GLY A 41 10.958 4.059 7.349 1.00 0.00 O ATOM 0 H GLY A 41 7.453 5.212 9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.696 5.628 9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.033 3.923 9.721 1.00 0.00 H new ATOM 609 N LEU A 42 8.971 4.945 6.783 1.00 0.00 N ATOM 610 CA LEU A 42 9.207 4.856 5.348 1.00 0.00 C ATOM 611 C LEU A 42 9.096 6.231 4.706 1.00 0.00 C ATOM 612 O LEU A 42 8.855 7.225 5.394 1.00 0.00 O ATOM 613 CB LEU A 42 8.201 3.900 4.701 1.00 0.00 C ATOM 614 CG LEU A 42 8.636 2.434 4.635 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.650 1.628 3.810 1.00 0.00 C ATOM 616 CD2 LEU A 42 10.035 2.310 4.058 1.00 0.00 C ATOM 0 H LEU A 42 8.073 5.359 7.035 1.00 0.00 H new ATOM 0 HA LEU A 42 10.215 4.471 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.263 3.958 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.996 4.246 3.688 1.00 0.00 H new ATOM 0 HG LEU A 42 8.651 2.036 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.972 0.587 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.662 1.685 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.607 2.032 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.322 1.259 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.051 2.726 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.738 2.856 4.687 1.00 0.00 H new ATOM 628 N THR A 43 9.278 6.287 3.397 1.00 0.00 N ATOM 629 CA THR A 43 9.139 7.531 2.663 1.00 0.00 C ATOM 630 C THR A 43 7.895 7.487 1.780 1.00 0.00 C ATOM 631 O THR A 43 7.333 6.413 1.544 1.00 0.00 O ATOM 632 CB THR A 43 10.381 7.818 1.797 1.00 0.00 C ATOM 633 OG1 THR A 43 10.733 6.656 1.035 1.00 0.00 O ATOM 634 CG2 THR A 43 11.561 8.242 2.660 1.00 0.00 C ATOM 0 H THR A 43 9.523 5.482 2.821 1.00 0.00 H new ATOM 0 HA THR A 43 9.040 8.335 3.392 1.00 0.00 H new ATOM 0 HB THR A 43 10.137 8.635 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.633 6.849 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.425 8.439 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.303 9.146 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.802 7.445 3.364 1.00 0.00 H new ATOM 642 N GLU A 44 7.470 8.646 1.297 1.00 0.00 N ATOM 643 CA GLU A 44 6.245 8.757 0.508 1.00 0.00 C ATOM 644 C GLU A 44 6.280 7.868 -0.737 1.00 0.00 C ATOM 645 O GLU A 44 5.341 7.117 -0.991 1.00 0.00 O ATOM 646 CB GLU A 44 6.011 10.211 0.099 1.00 0.00 C ATOM 647 CG GLU A 44 5.544 11.102 1.239 1.00 0.00 C ATOM 648 CD GLU A 44 6.299 12.414 1.288 1.00 0.00 C ATOM 649 OE1 GLU A 44 6.181 13.208 0.333 1.00 0.00 O ATOM 650 OE2 GLU A 44 7.014 12.655 2.282 1.00 0.00 O ATOM 0 H GLU A 44 7.958 9.531 1.438 1.00 0.00 H new ATOM 0 HA GLU A 44 5.423 8.415 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.936 10.617 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.269 10.239 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.478 11.302 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.672 10.576 2.185 1.00 0.00 H new ATOM 657 N GLU A 45 7.372 7.944 -1.490 1.00 0.00 N ATOM 658 CA GLU A 45 7.491 7.221 -2.759 1.00 0.00 C ATOM 659 C GLU A 45 7.299 5.719 -2.570 1.00 0.00 C ATOM 660 O GLU A 45 6.519 5.090 -3.290 1.00 0.00 O ATOM 661 CB GLU A 45 8.853 7.479 -3.409 1.00 0.00 C ATOM 662 CG GLU A 45 9.505 8.790 -2.997 1.00 0.00 C ATOM 663 CD GLU A 45 10.354 8.653 -1.750 1.00 0.00 C ATOM 664 OE1 GLU A 45 10.777 7.521 -1.432 1.00 0.00 O ATOM 665 OE2 GLU A 45 10.582 9.674 -1.074 1.00 0.00 O ATOM 0 H GLU A 45 8.192 8.500 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 45 6.702 7.594 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.524 6.658 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.733 7.471 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.125 9.156 -3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.731 9.538 -2.824 1.00 0.00 H new ATOM 672 N GLN A 46 8.005 5.155 -1.597 1.00 0.00 N ATOM 673 CA GLN A 46 7.956 3.718 -1.338 1.00 0.00 C ATOM 674 C GLN A 46 6.547 3.284 -0.943 1.00 0.00 C ATOM 675 O GLN A 46 6.025 2.293 -1.453 1.00 0.00 O ATOM 676 CB GLN A 46 8.946 3.344 -0.230 1.00 0.00 C ATOM 677 CG GLN A 46 10.371 3.808 -0.498 1.00 0.00 C ATOM 678 CD GLN A 46 11.405 2.797 -0.056 1.00 0.00 C ATOM 679 OE1 GLN A 46 11.517 2.476 1.128 1.00 0.00 O ATOM 680 NE2 GLN A 46 12.178 2.297 -1.004 1.00 0.00 N ATOM 0 H GLN A 46 8.622 5.673 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 46 8.234 3.199 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.604 3.775 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.944 2.261 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.491 4.003 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.546 4.751 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.051 2.590 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.901 1.618 -0.767 1.00 0.00 H new ATOM 689 N THR A 47 5.933 4.049 -0.050 1.00 0.00 N ATOM 690 CA THR A 47 4.604 3.733 0.454 1.00 0.00 C ATOM 691 C THR A 47 3.540 3.881 -0.640 1.00 0.00 C ATOM 692 O THR A 47 2.629 3.057 -0.749 1.00 0.00 O ATOM 693 CB THR A 47 4.246 4.639 1.650 1.00 0.00 C ATOM 694 OG1 THR A 47 5.402 4.831 2.480 1.00 0.00 O ATOM 695 CG2 THR A 47 3.126 4.032 2.479 1.00 0.00 C ATOM 0 H THR A 47 6.338 4.899 0.342 1.00 0.00 H new ATOM 0 HA THR A 47 4.619 2.694 0.782 1.00 0.00 H new ATOM 0 HB THR A 47 3.908 5.599 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.942 5.566 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.894 4.691 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.239 3.908 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.441 3.060 2.860 1.00 0.00 H new ATOM 703 N GLN A 48 3.676 4.921 -1.457 1.00 0.00 N ATOM 704 CA GLN A 48 2.709 5.206 -2.512 1.00 0.00 C ATOM 705 C GLN A 48 2.692 4.093 -3.560 1.00 0.00 C ATOM 706 O GLN A 48 1.623 3.624 -3.955 1.00 0.00 O ATOM 707 CB GLN A 48 3.025 6.566 -3.155 1.00 0.00 C ATOM 708 CG GLN A 48 2.672 6.666 -4.635 1.00 0.00 C ATOM 709 CD GLN A 48 1.421 7.484 -4.889 1.00 0.00 C ATOM 710 OE1 GLN A 48 0.423 6.972 -5.387 1.00 0.00 O ATOM 711 NE2 GLN A 48 1.468 8.766 -4.556 1.00 0.00 N ATOM 0 H GLN A 48 4.450 5.583 -1.408 1.00 0.00 H new ATOM 0 HA GLN A 48 1.714 5.251 -2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.486 7.343 -2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.088 6.772 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.508 7.113 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.533 5.663 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.316 9.155 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.656 9.363 -4.712 1.00 0.00 H new ATOM 720 N LYS A 49 3.875 3.668 -3.992 1.00 0.00 N ATOM 721 CA LYS A 49 3.991 2.624 -5.006 1.00 0.00 C ATOM 722 C LYS A 49 3.401 1.311 -4.499 1.00 0.00 C ATOM 723 O LYS A 49 2.706 0.603 -5.232 1.00 0.00 O ATOM 724 CB LYS A 49 5.458 2.425 -5.402 1.00 0.00 C ATOM 725 CG LYS A 49 5.657 1.414 -6.522 1.00 0.00 C ATOM 726 CD LYS A 49 6.465 1.997 -7.671 1.00 0.00 C ATOM 727 CE LYS A 49 6.577 1.014 -8.829 1.00 0.00 C ATOM 728 NZ LYS A 49 6.902 1.696 -10.110 1.00 0.00 N ATOM 0 H LYS A 49 4.767 4.030 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 49 3.429 2.939 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.875 3.383 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.021 2.100 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.165 0.533 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.686 1.084 -6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.995 2.917 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.462 2.261 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.348 0.277 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.638 0.471 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.969 0.991 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.154 2.382 -10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.811 2.193 -10.018 1.00 0.00 H new ATOM 742 N TRP A 50 3.669 1.004 -3.238 1.00 0.00 N ATOM 743 CA TRP A 50 3.193 -0.233 -2.635 1.00 0.00 C ATOM 744 C TRP A 50 1.667 -0.246 -2.539 1.00 0.00 C ATOM 745 O TRP A 50 1.018 -1.212 -2.953 1.00 0.00 O ATOM 746 CB TRP A 50 3.815 -0.424 -1.249 1.00 0.00 C ATOM 747 CG TRP A 50 3.470 -1.741 -0.626 1.00 0.00 C ATOM 748 CD1 TRP A 50 4.194 -2.895 -0.686 1.00 0.00 C ATOM 749 CD2 TRP A 50 2.305 -2.037 0.148 1.00 0.00 C ATOM 750 NE1 TRP A 50 3.550 -3.889 0.007 1.00 0.00 N ATOM 751 CE2 TRP A 50 2.386 -3.388 0.526 1.00 0.00 C ATOM 752 CE3 TRP A 50 1.203 -1.287 0.559 1.00 0.00 C ATOM 753 CZ2 TRP A 50 1.404 -4.005 1.294 1.00 0.00 C ATOM 754 CZ3 TRP A 50 0.229 -1.896 1.316 1.00 0.00 C ATOM 755 CH2 TRP A 50 0.333 -3.245 1.679 1.00 0.00 C ATOM 0 H TRP A 50 4.215 1.596 -2.611 1.00 0.00 H new ATOM 0 HA TRP A 50 3.499 -1.061 -3.275 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.899 -0.340 -1.329 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.480 0.380 -0.593 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.135 -3.010 -1.203 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.884 -4.846 0.118 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.116 -0.245 0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.484 -5.045 1.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.630 -1.325 1.636 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.448 -3.694 2.275 1.00 0.00 H new ATOM 766 N PHE A 51 1.096 0.828 -1.998 1.00 0.00 N ATOM 767 CA PHE A 51 -0.356 0.925 -1.842 1.00 0.00 C ATOM 768 C PHE A 51 -1.046 0.771 -3.197 1.00 0.00 C ATOM 769 O PHE A 51 -2.038 0.055 -3.324 1.00 0.00 O ATOM 770 CB PHE A 51 -0.747 2.268 -1.209 1.00 0.00 C ATOM 771 CG PHE A 51 -0.914 2.219 0.287 1.00 0.00 C ATOM 772 CD1 PHE A 51 0.188 2.119 1.116 1.00 0.00 C ATOM 773 CD2 PHE A 51 -2.175 2.285 0.865 1.00 0.00 C ATOM 774 CE1 PHE A 51 0.042 2.086 2.488 1.00 0.00 C ATOM 775 CE2 PHE A 51 -2.329 2.250 2.238 1.00 0.00 C ATOM 776 CZ PHE A 51 -1.220 2.152 3.051 1.00 0.00 C ATOM 0 H PHE A 51 1.613 1.641 -1.661 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.681 0.121 -1.182 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.015 3.008 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.680 2.610 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.176 2.066 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.047 2.365 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.913 2.009 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.316 2.299 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.336 2.127 4.124 1.00 0.00 H new ATOM 786 N LYS A 52 -0.490 1.429 -4.212 1.00 0.00 N ATOM 787 CA LYS A 52 -1.036 1.367 -5.563 1.00 0.00 C ATOM 788 C LYS A 52 -0.975 -0.054 -6.120 1.00 0.00 C ATOM 789 O LYS A 52 -1.869 -0.484 -6.850 1.00 0.00 O ATOM 790 CB LYS A 52 -0.277 2.321 -6.485 1.00 0.00 C ATOM 791 CG LYS A 52 -0.886 3.712 -6.553 1.00 0.00 C ATOM 792 CD LYS A 52 -0.991 4.204 -7.984 1.00 0.00 C ATOM 793 CE LYS A 52 -0.274 5.531 -8.167 1.00 0.00 C ATOM 794 NZ LYS A 52 -1.184 6.590 -8.677 1.00 0.00 N ATOM 0 H LYS A 52 0.341 2.013 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.082 1.670 -5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.755 2.401 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.247 1.897 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.876 3.699 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.277 4.405 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.564 3.462 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.041 4.315 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.152 5.847 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.557 5.402 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.655 7.479 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.571 6.301 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.963 6.732 -8.003 1.00 0.00 H new ATOM 808 N GLN A 53 0.078 -0.785 -5.763 1.00 0.00 N ATOM 809 CA GLN A 53 0.246 -2.156 -6.225 1.00 0.00 C ATOM 810 C GLN A 53 -0.798 -3.077 -5.588 1.00 0.00 C ATOM 811 O GLN A 53 -1.223 -4.062 -6.195 1.00 0.00 O ATOM 812 CB GLN A 53 1.679 -2.648 -5.941 1.00 0.00 C ATOM 813 CG GLN A 53 1.787 -3.716 -4.863 1.00 0.00 C ATOM 814 CD GLN A 53 2.978 -4.631 -5.063 1.00 0.00 C ATOM 815 OE1 GLN A 53 4.109 -4.271 -4.743 1.00 0.00 O ATOM 816 NE2 GLN A 53 2.731 -5.822 -5.590 1.00 0.00 N ATOM 0 H GLN A 53 0.826 -0.449 -5.156 1.00 0.00 H new ATOM 0 HA GLN A 53 0.090 -2.180 -7.304 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.103 -3.041 -6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.290 -1.794 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.863 -3.235 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.874 -4.311 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.777 -6.081 -5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.495 -6.480 -5.744 1.00 0.00 H new ATOM 825 N ARG A 54 -1.220 -2.752 -4.368 1.00 0.00 N ATOM 826 CA ARG A 54 -2.263 -3.523 -3.696 1.00 0.00 C ATOM 827 C ARG A 54 -3.628 -3.133 -4.237 1.00 0.00 C ATOM 828 O ARG A 54 -4.564 -3.925 -4.217 1.00 0.00 O ATOM 829 CB ARG A 54 -2.226 -3.307 -2.183 1.00 0.00 C ATOM 830 CG ARG A 54 -0.878 -3.611 -1.565 1.00 0.00 C ATOM 831 CD ARG A 54 -0.678 -5.105 -1.343 1.00 0.00 C ATOM 832 NE ARG A 54 0.276 -5.683 -2.288 1.00 0.00 N ATOM 833 CZ ARG A 54 0.917 -6.837 -2.089 1.00 0.00 C ATOM 834 NH1 ARG A 54 0.739 -7.521 -0.963 1.00 0.00 N ATOM 835 NH2 ARG A 54 1.742 -7.303 -3.021 1.00 0.00 N ATOM 0 H ARG A 54 -0.859 -1.966 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.080 -4.579 -3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.493 -2.273 -1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.982 -3.937 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.088 -3.231 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.789 -3.087 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.327 -5.275 -0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.636 -5.616 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 54 0.463 -5.174 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.109 -7.165 -0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.232 -8.402 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.884 -6.779 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.234 -8.184 -2.873 1.00 0.00 H new ATOM 849 N LEU A 55 -3.726 -1.905 -4.726 1.00 0.00 N ATOM 850 CA LEU A 55 -4.954 -1.410 -5.332 1.00 0.00 C ATOM 851 C LEU A 55 -5.306 -2.235 -6.566 1.00 0.00 C ATOM 852 O LEU A 55 -6.475 -2.423 -6.893 1.00 0.00 O ATOM 853 CB LEU A 55 -4.791 0.067 -5.692 1.00 0.00 C ATOM 854 CG LEU A 55 -5.988 0.721 -6.393 1.00 0.00 C ATOM 855 CD1 LEU A 55 -7.251 0.574 -5.563 1.00 0.00 C ATOM 856 CD2 LEU A 55 -5.696 2.187 -6.661 1.00 0.00 C ATOM 0 H LEU A 55 -2.963 -1.228 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.772 -1.507 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.582 0.623 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.917 0.170 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.150 0.213 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.085 1.046 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.468 -0.484 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.108 1.054 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.552 2.643 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.510 2.699 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.817 2.272 -7.300 1.00 0.00 H new ATOM 868 N ALA A 56 -4.284 -2.740 -7.242 1.00 0.00 N ATOM 869 CA ALA A 56 -4.491 -3.623 -8.379 1.00 0.00 C ATOM 870 C ALA A 56 -5.036 -4.970 -7.915 1.00 0.00 C ATOM 871 O ALA A 56 -5.843 -5.599 -8.600 1.00 0.00 O ATOM 872 CB ALA A 56 -3.191 -3.817 -9.141 1.00 0.00 C ATOM 0 H ALA A 56 -3.305 -2.553 -7.023 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.221 -3.163 -9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.362 -4.480 -9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.833 -2.853 -9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.444 -4.258 -8.480 1.00 0.00 H new ATOM 878 N GLU A 57 -4.602 -5.390 -6.732 1.00 0.00 N ATOM 879 CA GLU A 57 -5.015 -6.666 -6.163 1.00 0.00 C ATOM 880 C GLU A 57 -6.416 -6.569 -5.561 1.00 0.00 C ATOM 881 O GLU A 57 -7.125 -7.572 -5.464 1.00 0.00 O ATOM 882 CB GLU A 57 -4.016 -7.115 -5.095 1.00 0.00 C ATOM 883 CG GLU A 57 -3.827 -8.621 -5.031 1.00 0.00 C ATOM 884 CD GLU A 57 -2.846 -9.135 -6.065 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.954 -8.366 -6.481 1.00 0.00 O ATOM 886 OE2 GLU A 57 -2.963 -10.313 -6.467 1.00 0.00 O ATOM 0 H GLU A 57 -3.959 -4.860 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.037 -7.404 -6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.052 -6.645 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.353 -6.758 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.477 -8.896 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.790 -9.110 -5.176 1.00 0.00 H new ATOM 893 N TRP A 58 -6.808 -5.358 -5.165 1.00 0.00 N ATOM 894 CA TRP A 58 -8.121 -5.124 -4.567 1.00 0.00 C ATOM 895 C TRP A 58 -9.227 -5.627 -5.492 1.00 0.00 C ATOM 896 O TRP A 58 -10.235 -6.168 -5.035 1.00 0.00 O ATOM 897 CB TRP A 58 -8.318 -3.624 -4.255 1.00 0.00 C ATOM 898 CG TRP A 58 -9.700 -3.107 -4.568 1.00 0.00 C ATOM 899 CD1 TRP A 58 -10.839 -3.335 -3.853 1.00 0.00 C ATOM 900 CD2 TRP A 58 -10.088 -2.284 -5.677 1.00 0.00 C ATOM 901 NE1 TRP A 58 -11.907 -2.721 -4.456 1.00 0.00 N ATOM 902 CE2 TRP A 58 -11.474 -2.066 -5.572 1.00 0.00 C ATOM 903 CE3 TRP A 58 -9.403 -1.713 -6.750 1.00 0.00 C ATOM 904 CZ2 TRP A 58 -12.184 -1.304 -6.496 1.00 0.00 C ATOM 905 CZ3 TRP A 58 -10.107 -0.958 -7.666 1.00 0.00 C ATOM 906 CH2 TRP A 58 -11.485 -0.757 -7.534 1.00 0.00 C ATOM 0 H TRP A 58 -6.231 -4.521 -5.248 1.00 0.00 H new ATOM 0 HA TRP A 58 -8.175 -5.679 -3.630 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -8.108 -3.453 -3.199 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.588 -3.047 -4.823 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -10.892 -3.915 -2.944 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -12.871 -2.749 -4.123 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.339 -1.859 -6.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -13.248 -1.151 -6.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.584 -0.514 -8.500 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.006 -0.158 -8.266 1.00 0.00 H new ATOM 917 N ARG A 59 -9.006 -5.475 -6.794 1.00 0.00 N ATOM 918 CA ARG A 59 -9.997 -5.839 -7.797 1.00 0.00 C ATOM 919 C ARG A 59 -10.304 -7.330 -7.768 1.00 0.00 C ATOM 920 O ARG A 59 -11.355 -7.757 -8.224 1.00 0.00 O ATOM 921 CB ARG A 59 -9.514 -5.435 -9.188 1.00 0.00 C ATOM 922 CG ARG A 59 -9.358 -3.938 -9.358 1.00 0.00 C ATOM 923 CD ARG A 59 -9.254 -3.552 -10.823 1.00 0.00 C ATOM 924 NE ARG A 59 -8.430 -2.360 -11.017 1.00 0.00 N ATOM 925 CZ ARG A 59 -8.142 -1.835 -12.207 1.00 0.00 C ATOM 926 NH1 ARG A 59 -8.566 -2.424 -13.321 1.00 0.00 N ATOM 927 NH2 ARG A 59 -7.414 -0.727 -12.273 1.00 0.00 N ATOM 0 H ARG A 59 -8.140 -5.098 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.916 -5.302 -7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.557 -5.918 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.219 -5.806 -9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.209 -3.429 -8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.467 -3.601 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.830 -4.382 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.252 -3.372 -11.222 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.052 -1.901 -10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.115 -3.282 -13.267 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.343 -2.018 -14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.080 -0.285 -11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.189 -0.318 -13.180 1.00 0.00 H new ATOM 941 N ARG A 60 -9.384 -8.113 -7.235 1.00 0.00 N ATOM 942 CA ARG A 60 -9.566 -9.552 -7.164 1.00 0.00 C ATOM 943 C ARG A 60 -10.410 -9.927 -5.954 1.00 0.00 C ATOM 944 O ARG A 60 -11.299 -10.775 -6.038 1.00 0.00 O ATOM 945 CB ARG A 60 -8.214 -10.259 -7.101 1.00 0.00 C ATOM 946 CG ARG A 60 -7.205 -9.722 -8.100 1.00 0.00 C ATOM 947 CD ARG A 60 -5.925 -10.533 -8.081 1.00 0.00 C ATOM 948 NE ARG A 60 -5.638 -11.136 -9.382 1.00 0.00 N ATOM 949 CZ ARG A 60 -4.451 -11.640 -9.716 1.00 0.00 C ATOM 950 NH1 ARG A 60 -3.437 -11.574 -8.861 1.00 0.00 N ATOM 951 NH2 ARG A 60 -4.268 -12.195 -10.910 1.00 0.00 N ATOM 0 H ARG A 60 -8.503 -7.777 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.088 -9.874 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.807 -10.159 -6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.361 -11.324 -7.281 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.636 -9.742 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.981 -8.680 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.094 -9.892 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.004 -11.317 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.388 -11.173 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.567 -11.137 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.528 -11.960 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.039 -12.237 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.357 -12.579 -11.160 1.00 0.00 H new ATOM 965 N SER A 61 -10.126 -9.292 -4.829 1.00 0.00 N ATOM 966 CA SER A 61 -10.808 -9.601 -3.584 1.00 0.00 C ATOM 967 C SER A 61 -12.128 -8.834 -3.436 1.00 0.00 C ATOM 968 O SER A 61 -13.203 -9.434 -3.434 1.00 0.00 O ATOM 969 CB SER A 61 -9.882 -9.290 -2.408 1.00 0.00 C ATOM 970 OG SER A 61 -8.532 -9.197 -2.841 1.00 0.00 O ATOM 0 H SER A 61 -9.424 -8.556 -4.753 1.00 0.00 H new ATOM 0 HA SER A 61 -11.057 -10.662 -3.594 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.184 -8.353 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.973 -10.069 -1.651 1.00 0.00 H new ATOM 0 HG SER A 61 -7.956 -8.996 -2.074 1.00 0.00 H new ATOM 976 N GLU A 62 -12.040 -7.514 -3.313 1.00 0.00 N ATOM 977 CA GLU A 62 -13.194 -6.697 -2.939 1.00 0.00 C ATOM 978 C GLU A 62 -13.658 -5.764 -4.062 1.00 0.00 C ATOM 979 O GLU A 62 -14.181 -4.680 -3.786 1.00 0.00 O ATOM 980 CB GLU A 62 -12.872 -5.878 -1.683 1.00 0.00 C ATOM 981 CG GLU A 62 -11.437 -6.025 -1.196 1.00 0.00 C ATOM 982 CD GLU A 62 -11.097 -5.046 -0.094 1.00 0.00 C ATOM 983 OE1 GLU A 62 -11.079 -3.832 -0.364 1.00 0.00 O ATOM 984 OE2 GLU A 62 -10.852 -5.490 1.048 1.00 0.00 O ATOM 0 H GLU A 62 -11.182 -6.985 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.015 -7.386 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.069 -4.826 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.548 -6.179 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.281 -7.042 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.755 -5.876 -2.033 1.00 0.00 H new ATOM 991 N GLY A 63 -13.476 -6.158 -5.317 1.00 0.00 N ATOM 992 CA GLY A 63 -13.793 -5.249 -6.402 1.00 0.00 C ATOM 993 C GLY A 63 -14.504 -5.901 -7.573 1.00 0.00 C ATOM 994 O GLY A 63 -15.730 -5.823 -7.690 1.00 0.00 O ATOM 0 H GLY A 63 -13.122 -7.072 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.417 -4.444 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.870 -4.793 -6.760 1.00 0.00 H new ATOM 998 N LEU A 64 -13.735 -6.546 -8.436 1.00 0.00 N ATOM 999 CA LEU A 64 -14.234 -7.020 -9.720 1.00 0.00 C ATOM 1000 C LEU A 64 -14.372 -8.542 -9.724 1.00 0.00 C ATOM 1001 O LEU A 64 -13.803 -9.224 -8.873 1.00 0.00 O ATOM 1002 CB LEU A 64 -13.283 -6.570 -10.842 1.00 0.00 C ATOM 1003 CG LEU A 64 -13.503 -5.144 -11.370 1.00 0.00 C ATOM 1004 CD1 LEU A 64 -14.962 -4.924 -11.741 1.00 0.00 C ATOM 1005 CD2 LEU A 64 -13.045 -4.114 -10.346 1.00 0.00 C ATOM 0 H LEU A 64 -12.751 -6.756 -8.268 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.222 -6.591 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.259 -6.649 -10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.380 -7.265 -11.676 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.902 -5.019 -12.271 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.094 -3.908 -12.112 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.251 -5.634 -12.516 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.588 -5.073 -10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.210 -3.111 -10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.613 -4.240 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.984 -4.253 -10.140 1.00 0.00 H new ATOM 1017 N PRO A 65 -15.149 -9.094 -10.670 1.00 0.00 N ATOM 1018 CA PRO A 65 -15.352 -10.541 -10.790 1.00 0.00 C ATOM 1019 C PRO A 65 -14.088 -11.293 -11.201 1.00 0.00 C ATOM 1020 O PRO A 65 -13.858 -11.549 -12.385 1.00 0.00 O ATOM 1021 CB PRO A 65 -16.422 -10.675 -11.882 1.00 0.00 C ATOM 1022 CG PRO A 65 -17.014 -9.316 -12.024 1.00 0.00 C ATOM 1023 CD PRO A 65 -15.916 -8.358 -11.682 1.00 0.00 C ATOM 0 HA PRO A 65 -15.639 -10.975 -9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.985 -11.013 -12.821 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.180 -11.406 -11.602 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -17.376 -9.151 -13.039 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.867 -9.189 -11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.307 -8.113 -12.552 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.306 -7.418 -11.290 1.00 0.00 H new ATOM 1031 N SER A 66 -13.271 -11.639 -10.217 1.00 0.00 N ATOM 1032 CA SER A 66 -12.130 -12.517 -10.435 1.00 0.00 C ATOM 1033 C SER A 66 -12.486 -13.929 -9.974 1.00 0.00 C ATOM 1034 O SER A 66 -11.635 -14.820 -9.904 1.00 0.00 O ATOM 1035 CB SER A 66 -10.901 -12.001 -9.681 1.00 0.00 C ATOM 1036 OG SER A 66 -10.422 -10.787 -10.240 1.00 0.00 O ATOM 0 H SER A 66 -13.378 -11.323 -9.253 1.00 0.00 H new ATOM 0 HA SER A 66 -11.889 -12.534 -11.498 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.155 -11.845 -8.632 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.112 -12.753 -9.710 1.00 0.00 H new ATOM 0 HG SER A 66 -9.453 -10.724 -10.105 1.00 0.00 H new ATOM 1042 N GLU A 67 -13.759 -14.114 -9.657 1.00 0.00 N ATOM 1043 CA GLU A 67 -14.269 -15.396 -9.207 1.00 0.00 C ATOM 1044 C GLU A 67 -14.905 -16.151 -10.371 1.00 0.00 C ATOM 1045 O GLU A 67 -14.467 -16.030 -11.514 1.00 0.00 O ATOM 1046 CB GLU A 67 -15.293 -15.184 -8.090 1.00 0.00 C ATOM 1047 CG GLU A 67 -15.020 -15.998 -6.836 1.00 0.00 C ATOM 1048 CD GLU A 67 -13.565 -16.391 -6.697 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -12.766 -15.566 -6.209 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -13.219 -17.526 -7.078 1.00 0.00 O ATOM 0 H GLU A 67 -14.465 -13.379 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.441 -15.990 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.314 -14.127 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.284 -15.438 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.321 -15.421 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.635 -16.898 -6.852 1.00 0.00 H new ATOM 1057 N CYS A 68 -15.960 -16.901 -10.079 1.00 0.00 N ATOM 1058 CA CYS A 68 -16.645 -17.703 -11.084 1.00 0.00 C ATOM 1059 C CYS A 68 -17.663 -16.872 -11.868 1.00 0.00 C ATOM 1060 O CYS A 68 -18.763 -17.337 -12.163 1.00 0.00 O ATOM 1061 CB CYS A 68 -17.346 -18.871 -10.397 1.00 0.00 C ATOM 1062 SG CYS A 68 -16.926 -19.034 -8.645 1.00 0.00 S ATOM 0 H CYS A 68 -16.363 -16.970 -9.145 1.00 0.00 H new ATOM 0 HA CYS A 68 -15.905 -18.074 -11.794 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -18.424 -18.745 -10.494 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -17.085 -19.795 -10.913 1.00 0.00 H new ATOM 0 HG CYS A 68 -17.564 -20.047 -8.138 1.00 0.00 H new ATOM 1068 N ARG A 69 -17.300 -15.639 -12.184 1.00 0.00 N ATOM 1069 CA ARG A 69 -18.168 -14.754 -12.949 1.00 0.00 C ATOM 1070 C ARG A 69 -17.484 -14.353 -14.248 1.00 0.00 C ATOM 1071 O ARG A 69 -16.309 -14.664 -14.453 1.00 0.00 O ATOM 1072 CB ARG A 69 -18.520 -13.509 -12.129 1.00 0.00 C ATOM 1073 CG ARG A 69 -19.928 -12.987 -12.385 1.00 0.00 C ATOM 1074 CD ARG A 69 -20.049 -11.501 -12.071 1.00 0.00 C ATOM 1075 NE ARG A 69 -20.221 -11.251 -10.640 1.00 0.00 N ATOM 1076 CZ ARG A 69 -20.267 -10.037 -10.091 1.00 0.00 C ATOM 1077 NH1 ARG A 69 -20.194 -8.950 -10.853 1.00 0.00 N ATOM 1078 NH2 ARG A 69 -20.415 -9.913 -8.778 1.00 0.00 N ATOM 0 H ARG A 69 -16.405 -15.225 -11.921 1.00 0.00 H new ATOM 0 HA ARG A 69 -19.091 -15.284 -13.183 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -18.415 -13.741 -11.069 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -17.803 -12.720 -12.356 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -20.196 -13.161 -13.427 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -20.639 -13.546 -11.776 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -19.157 -10.983 -12.424 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -20.896 -11.084 -12.615 1.00 0.00 H new ATOM 0 HE ARG A 69 -20.312 -12.058 -10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -20.102 -9.042 -11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -20.230 -8.024 -10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -20.493 -10.745 -8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -20.451 -8.986 -8.354 1.00 0.00 H new ATOM 1092 N SER A 70 -18.221 -13.681 -15.123 1.00 0.00 N ATOM 1093 CA SER A 70 -17.651 -13.117 -16.332 1.00 0.00 C ATOM 1094 C SER A 70 -16.577 -12.091 -15.972 1.00 0.00 C ATOM 1095 O SER A 70 -16.885 -10.990 -15.515 1.00 0.00 O ATOM 1096 CB SER A 70 -18.763 -12.479 -17.161 1.00 0.00 C ATOM 1097 OG SER A 70 -20.039 -12.874 -16.675 1.00 0.00 O ATOM 0 H SER A 70 -19.221 -13.514 -15.013 1.00 0.00 H new ATOM 0 HA SER A 70 -17.181 -13.903 -16.923 1.00 0.00 H new ATOM 0 HB2 SER A 70 -18.674 -11.393 -17.124 1.00 0.00 H new ATOM 0 HB3 SER A 70 -18.659 -12.772 -18.206 1.00 0.00 H new ATOM 0 HG SER A 70 -20.740 -12.455 -17.217 1.00 0.00 H new ATOM 1103 N VAL A 71 -15.319 -12.479 -16.162 1.00 0.00 N ATOM 1104 CA VAL A 71 -14.176 -11.678 -15.732 1.00 0.00 C ATOM 1105 C VAL A 71 -14.199 -10.263 -16.307 1.00 0.00 C ATOM 1106 O VAL A 71 -14.290 -10.067 -17.521 1.00 0.00 O ATOM 1107 CB VAL A 71 -12.843 -12.355 -16.108 1.00 0.00 C ATOM 1108 CG1 VAL A 71 -12.540 -13.497 -15.153 1.00 0.00 C ATOM 1109 CG2 VAL A 71 -12.873 -12.848 -17.548 1.00 0.00 C ATOM 0 H VAL A 71 -15.063 -13.355 -16.617 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.255 -11.605 -14.647 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.047 -11.615 -16.023 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.596 -13.964 -15.432 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.467 -13.111 -14.136 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.340 -14.236 -15.204 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.922 -13.322 -17.790 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.680 -13.571 -17.668 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.039 -12.004 -18.218 1.00 0.00 H new ATOM 1119 N THR A 72 -14.132 -9.285 -15.418 1.00 0.00 N ATOM 1120 CA THR A 72 -14.066 -7.890 -15.813 1.00 0.00 C ATOM 1121 C THR A 72 -12.674 -7.326 -15.543 1.00 0.00 C ATOM 1122 O THR A 72 -12.065 -7.628 -14.514 1.00 0.00 O ATOM 1123 CB THR A 72 -15.115 -7.057 -15.056 1.00 0.00 C ATOM 1124 OG1 THR A 72 -16.293 -7.845 -14.838 1.00 0.00 O ATOM 1125 CG2 THR A 72 -15.477 -5.801 -15.829 1.00 0.00 C ATOM 0 H THR A 72 -14.122 -9.436 -14.409 1.00 0.00 H new ATOM 0 HA THR A 72 -14.276 -7.833 -16.881 1.00 0.00 H new ATOM 0 HB THR A 72 -14.688 -6.759 -14.098 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.958 -7.312 -14.354 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.220 -5.232 -15.271 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.585 -5.191 -15.971 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.886 -6.077 -16.801 1.00 0.00 H new ATOM 1133 N ASP A 73 -12.174 -6.519 -16.466 1.00 0.00 N ATOM 1134 CA ASP A 73 -10.846 -5.940 -16.344 1.00 0.00 C ATOM 1135 C ASP A 73 -10.920 -4.427 -16.526 1.00 0.00 C ATOM 1136 O ASP A 73 -11.473 -3.981 -17.552 1.00 0.00 O ATOM 1137 CB ASP A 73 -9.902 -6.560 -17.382 1.00 0.00 C ATOM 1138 CG ASP A 73 -8.594 -5.807 -17.526 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -7.869 -5.660 -16.517 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -8.276 -5.373 -18.654 1.00 0.00 O ATOM 1141 OXT ASP A 73 -10.454 -3.693 -15.633 1.00 0.00 O ATOM 0 H ASP A 73 -12.673 -6.249 -17.314 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.454 -6.154 -15.350 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.691 -7.592 -17.101 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.405 -6.590 -18.349 1.00 0.00 H new TER 1146 ASP A 73