USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 525 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 41 THR OG1 : rot -49:sc= 2.27 USER MOD Set 1.2: A 45 SER OG : rot 103:sc= 1.03 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.487 USER MOD Set 2.2: A 33 ASN : amide:sc= 0.0736 K(o=-0.41,f=-2.5!) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ 168:sc=0.000951 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-1.8) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.0359 (180deg=-0.486) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0617 (180deg=-0.509) USER MOD Single : A 14 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.33) USER MOD Single : A 29 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.011) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.735 K(o=-0.74,f=-4.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.645 K(o=-0.64,f=-5.3!) USER MOD Single : A 46 ASN : amide:sc= -0.658 K(o=-0.66,f=-5.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.661 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.18 (180deg=-0.984) USER MOD Single : A 52 ASN : amide:sc= 0.189 X(o=0.19,f=-0.0052) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0118 (180deg=-0.229) USER MOD Single : A 63 ASN : amide:sc= -2.72 K(o=-2.7,f=-6.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.644 -3.397 -0.295 1.00 0.00 N ATOM 2 CA THR A 1 -2.310 -3.854 0.186 1.00 0.00 C ATOM 3 C THR A 1 -1.632 -2.709 0.941 1.00 0.00 C ATOM 4 O THR A 1 -2.007 -1.547 0.783 1.00 0.00 O ATOM 5 CB THR A 1 -1.467 -4.293 -1.021 1.00 0.00 C ATOM 6 OG1 THR A 1 -0.941 -5.590 -0.780 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.314 -3.312 -1.259 1.00 0.00 C ATOM 0 H1 THR A 1 -4.023 -4.087 -0.975 1.00 0.00 H new ATOM 0 H2 THR A 1 -4.294 -3.313 0.512 1.00 0.00 H new ATOM 0 H3 THR A 1 -3.547 -2.471 -0.759 1.00 0.00 H new ATOM 0 HA THR A 1 -2.416 -4.701 0.863 1.00 0.00 H new ATOM 0 HB THR A 1 -2.102 -4.307 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 1 -0.404 -5.873 -1.549 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.271 -3.640 -2.118 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.716 -2.318 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.324 -3.280 -0.376 1.00 0.00 H new ATOM 17 N PRO A 2 -0.653 -3.014 1.754 1.00 0.00 N ATOM 18 CA PRO A 2 0.082 -1.986 2.547 1.00 0.00 C ATOM 19 C PRO A 2 1.014 -1.144 1.679 1.00 0.00 C ATOM 20 O PRO A 2 1.398 -1.556 0.584 1.00 0.00 O ATOM 21 CB PRO A 2 0.875 -2.810 3.562 1.00 0.00 C ATOM 22 CG PRO A 2 1.068 -4.144 2.921 1.00 0.00 C ATOM 23 CD PRO A 2 -0.135 -4.369 2.004 1.00 0.00 C ATOM 0 HA PRO A 2 -0.594 -1.267 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.832 -2.340 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.334 -2.901 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.998 -4.169 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.133 -4.929 3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.157 -4.862 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.885 -5.002 2.478 1.00 0.00 H new ATOM 31 N ILE A 3 1.373 0.035 2.175 1.00 0.00 N ATOM 32 CA ILE A 3 2.259 0.927 1.436 1.00 0.00 C ATOM 33 C ILE A 3 3.493 0.173 0.948 1.00 0.00 C ATOM 34 O ILE A 3 4.137 -0.546 1.712 1.00 0.00 O ATOM 35 CB ILE A 3 2.687 2.095 2.330 1.00 0.00 C ATOM 36 CG1 ILE A 3 3.519 3.090 1.514 1.00 0.00 C ATOM 37 CG2 ILE A 3 3.526 1.567 3.495 1.00 0.00 C ATOM 38 CD1 ILE A 3 2.627 3.781 0.480 1.00 0.00 C ATOM 0 H ILE A 3 1.067 0.394 3.079 1.00 0.00 H new ATOM 0 HA ILE A 3 1.720 1.312 0.571 1.00 0.00 H new ATOM 0 HB ILE A 3 1.800 2.596 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.968 3.831 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.337 2.571 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.830 2.399 4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.935 0.861 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.412 1.064 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.221 4.488 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.199 3.034 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.824 4.314 0.990 1.00 0.00 H new ATOM 50 N GLU A 4 3.814 0.341 -0.330 1.00 0.00 N ATOM 51 CA GLU A 4 4.971 -0.329 -0.912 1.00 0.00 C ATOM 52 C GLU A 4 6.257 0.400 -0.539 1.00 0.00 C ATOM 53 O GLU A 4 6.222 1.475 0.059 1.00 0.00 O ATOM 54 CB GLU A 4 4.833 -0.381 -2.435 1.00 0.00 C ATOM 55 CG GLU A 4 4.847 1.042 -2.999 1.00 0.00 C ATOM 56 CD GLU A 4 4.595 1.008 -4.502 1.00 0.00 C ATOM 57 OE1 GLU A 4 4.538 -0.081 -5.049 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.462 2.072 -5.085 1.00 0.00 O ATOM 0 H GLU A 4 3.293 0.931 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 4 5.016 -1.344 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.649 -0.962 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.905 -0.883 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.083 1.645 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.808 1.514 -2.793 1.00 0.00 H new ATOM 65 N SER A 5 7.392 -0.192 -0.897 1.00 0.00 N ATOM 66 CA SER A 5 8.685 0.409 -0.594 1.00 0.00 C ATOM 67 C SER A 5 8.821 1.763 -1.285 1.00 0.00 C ATOM 68 O SER A 5 8.234 1.993 -2.342 1.00 0.00 O ATOM 69 CB SER A 5 9.811 -0.516 -1.056 1.00 0.00 C ATOM 70 OG SER A 5 9.738 -1.739 -0.335 1.00 0.00 O ATOM 0 H SER A 5 7.443 -1.081 -1.394 1.00 0.00 H new ATOM 0 HA SER A 5 8.754 0.555 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.726 -0.705 -2.126 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.778 -0.041 -0.892 1.00 0.00 H new ATOM 0 HG SER A 5 10.457 -2.336 -0.630 1.00 0.00 H new ATOM 76 N HIS A 6 9.598 2.655 -0.679 1.00 0.00 N ATOM 77 CA HIS A 6 9.803 3.984 -1.244 1.00 0.00 C ATOM 78 C HIS A 6 10.445 3.888 -2.625 1.00 0.00 C ATOM 79 O HIS A 6 10.290 4.784 -3.454 1.00 0.00 O ATOM 80 CB HIS A 6 10.699 4.812 -0.321 1.00 0.00 C ATOM 81 CG HIS A 6 12.094 4.253 -0.342 1.00 0.00 C ATOM 82 ND1 HIS A 6 13.023 4.621 -1.303 1.00 0.00 N ATOM 83 CD2 HIS A 6 12.734 3.351 0.472 1.00 0.00 C ATOM 84 CE1 HIS A 6 14.161 3.949 -1.046 1.00 0.00 C ATOM 85 NE2 HIS A 6 14.039 3.161 0.025 1.00 0.00 N ATOM 0 H HIS A 6 10.093 2.484 0.196 1.00 0.00 H new ATOM 0 HA HIS A 6 8.832 4.469 -1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 6 10.708 5.853 -0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 6 10.305 4.797 0.695 1.00 0.00 H new ATOM 0 HD2 HIS A 6 12.292 2.863 1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 6 15.062 4.037 -1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 6 14.749 2.551 0.429 1.00 0.00 H new ATOM 94 N GLN A 7 11.165 2.797 -2.865 1.00 0.00 N ATOM 95 CA GLN A 7 11.824 2.598 -4.150 1.00 0.00 C ATOM 96 C GLN A 7 10.898 1.872 -5.120 1.00 0.00 C ATOM 97 O GLN A 7 10.910 0.644 -5.205 1.00 0.00 O ATOM 98 CB GLN A 7 13.106 1.784 -3.960 1.00 0.00 C ATOM 99 CG GLN A 7 13.809 1.616 -5.308 1.00 0.00 C ATOM 100 CD GLN A 7 15.088 0.804 -5.132 1.00 0.00 C ATOM 101 OE1 GLN A 7 15.044 -0.324 -4.640 1.00 0.00 O ATOM 102 NE2 GLN A 7 16.230 1.312 -5.505 1.00 0.00 N ATOM 0 H GLN A 7 11.306 2.043 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 7 12.072 3.575 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 7 13.767 2.286 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.870 0.808 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.145 1.116 -6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.044 2.593 -5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.264 2.247 -5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.089 0.775 -5.389 1.00 0.00 H new ATOM 111 N VAL A 8 10.095 2.640 -5.849 1.00 0.00 N ATOM 112 CA VAL A 8 9.165 2.061 -6.811 1.00 0.00 C ATOM 113 C VAL A 8 9.125 2.897 -8.085 1.00 0.00 C ATOM 114 O VAL A 8 9.260 4.120 -8.041 1.00 0.00 O ATOM 115 CB VAL A 8 7.764 1.986 -6.203 1.00 0.00 C ATOM 116 CG1 VAL A 8 7.262 3.400 -5.902 1.00 0.00 C ATOM 117 CG2 VAL A 8 6.816 1.308 -7.194 1.00 0.00 C ATOM 0 H VAL A 8 10.069 3.658 -5.793 1.00 0.00 H new ATOM 0 HA VAL A 8 9.506 1.056 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 8 7.798 1.409 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.263 3.347 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.938 3.884 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.226 3.978 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.817 1.254 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.781 1.886 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.174 0.301 -7.409 1.00 0.00 H new ATOM 127 N GLU A 9 8.939 2.231 -9.219 1.00 0.00 N ATOM 128 CA GLU A 9 8.882 2.925 -10.500 1.00 0.00 C ATOM 129 C GLU A 9 7.801 2.322 -11.392 1.00 0.00 C ATOM 130 O GLU A 9 7.399 1.173 -11.206 1.00 0.00 O ATOM 131 CB GLU A 9 10.239 2.843 -11.207 1.00 0.00 C ATOM 132 CG GLU A 9 10.937 1.530 -10.842 1.00 0.00 C ATOM 133 CD GLU A 9 10.011 0.350 -11.116 1.00 0.00 C ATOM 134 OE1 GLU A 9 9.513 0.258 -12.227 1.00 0.00 O ATOM 135 OE2 GLU A 9 9.812 -0.445 -10.212 1.00 0.00 O ATOM 0 H GLU A 9 8.826 1.219 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 9 8.638 3.970 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.101 2.904 -12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.862 3.689 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.855 1.424 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.223 1.541 -9.790 1.00 0.00 H new ATOM 142 N LYS A 10 7.334 3.105 -12.358 1.00 0.00 N ATOM 143 CA LYS A 10 6.298 2.638 -13.272 1.00 0.00 C ATOM 144 C LYS A 10 6.594 3.096 -14.697 1.00 0.00 C ATOM 145 O LYS A 10 7.351 4.043 -14.910 1.00 0.00 O ATOM 146 CB LYS A 10 4.933 3.176 -12.835 1.00 0.00 C ATOM 147 CG LYS A 10 4.931 4.703 -12.929 1.00 0.00 C ATOM 148 CD LYS A 10 3.580 5.242 -12.453 1.00 0.00 C ATOM 149 CE LYS A 10 3.548 6.762 -12.622 1.00 0.00 C ATOM 150 NZ LYS A 10 4.600 7.380 -11.766 1.00 0.00 N ATOM 0 H LYS A 10 7.653 4.059 -12.528 1.00 0.00 H new ATOM 0 HA LYS A 10 6.284 1.548 -13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.148 2.761 -13.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.718 2.864 -11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.735 5.117 -12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.117 5.015 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.772 4.785 -13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.419 4.978 -11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.713 7.026 -13.667 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.567 7.149 -12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.384 8.387 -11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.626 6.898 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.525 7.287 -12.232 1.00 0.00 H new ATOM 164 N ARG A 11 5.992 2.417 -15.668 1.00 0.00 N ATOM 165 CA ARG A 11 6.198 2.763 -17.070 1.00 0.00 C ATOM 166 C ARG A 11 4.876 3.155 -17.722 1.00 0.00 C ATOM 167 O ARG A 11 3.867 2.467 -17.563 1.00 0.00 O ATOM 168 CB ARG A 11 6.806 1.575 -17.818 1.00 0.00 C ATOM 169 CG ARG A 11 8.084 1.121 -17.109 1.00 0.00 C ATOM 170 CD ARG A 11 7.764 -0.052 -16.180 1.00 0.00 C ATOM 171 NE ARG A 11 8.998 -0.644 -15.671 1.00 0.00 N ATOM 172 CZ ARG A 11 9.728 -1.487 -16.404 1.00 0.00 C ATOM 173 NH1 ARG A 11 9.360 -1.812 -17.618 1.00 0.00 N ATOM 174 NH2 ARG A 11 10.822 -1.994 -15.906 1.00 0.00 N ATOM 0 H ARG A 11 5.362 1.630 -15.512 1.00 0.00 H new ATOM 0 HA ARG A 11 6.882 3.610 -17.120 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.090 0.754 -17.860 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.029 1.856 -18.847 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.833 0.824 -17.843 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.508 1.946 -16.537 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.147 0.290 -15.349 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.186 -0.804 -16.718 1.00 0.00 H new ATOM 0 HE ARG A 11 9.311 -0.407 -14.730 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.506 -1.420 -18.014 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.927 -2.458 -18.167 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.115 -1.746 -14.961 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.384 -2.639 -16.461 1.00 0.00 H new ATOM 188 N LYS A 12 4.887 4.263 -18.455 1.00 0.00 N ATOM 189 CA LYS A 12 3.681 4.734 -19.125 1.00 0.00 C ATOM 190 C LYS A 12 3.241 3.741 -20.195 1.00 0.00 C ATOM 191 O LYS A 12 4.075 3.207 -20.927 1.00 0.00 O ATOM 192 CB LYS A 12 3.938 6.101 -19.765 1.00 0.00 C ATOM 193 CG LYS A 12 5.023 5.971 -20.837 1.00 0.00 C ATOM 194 CD LYS A 12 5.335 7.351 -21.417 1.00 0.00 C ATOM 195 CE LYS A 12 6.457 7.229 -22.450 1.00 0.00 C ATOM 196 NZ LYS A 12 6.002 6.370 -23.579 1.00 0.00 N ATOM 0 H LYS A 12 5.710 4.847 -18.600 1.00 0.00 H new ATOM 0 HA LYS A 12 2.887 4.826 -18.383 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.019 6.485 -20.208 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.248 6.817 -19.004 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.924 5.534 -20.407 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.689 5.299 -21.628 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.443 7.772 -21.881 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.632 8.033 -20.621 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.735 8.216 -22.819 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.346 6.800 -21.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.616 6.526 -24.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.050 5.370 -23.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.022 6.613 -23.827 1.00 0.00 H new ATOM 210 N CYS A 13 1.923 3.516 -20.270 1.00 0.00 N ATOM 211 CA CYS A 13 1.325 2.590 -21.242 1.00 0.00 C ATOM 212 C CYS A 13 2.250 1.417 -21.561 1.00 0.00 C ATOM 213 O CYS A 13 2.930 1.412 -22.587 1.00 0.00 O ATOM 214 CB CYS A 13 0.994 3.339 -22.533 1.00 0.00 C ATOM 215 SG CYS A 13 -0.603 4.170 -22.353 1.00 0.00 S ATOM 0 H CYS A 13 1.242 3.969 -19.661 1.00 0.00 H new ATOM 0 HA CYS A 13 0.416 2.188 -20.794 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.773 4.069 -22.753 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.962 2.644 -23.372 1.00 0.00 H new ATOM 220 N ASN A 14 2.270 0.427 -20.675 1.00 0.00 N ATOM 221 CA ASN A 14 3.115 -0.745 -20.871 1.00 0.00 C ATOM 222 C ASN A 14 2.275 -1.949 -21.285 1.00 0.00 C ATOM 223 O ASN A 14 2.616 -3.091 -20.974 1.00 0.00 O ATOM 224 CB ASN A 14 3.872 -1.066 -19.580 1.00 0.00 C ATOM 225 CG ASN A 14 2.888 -1.258 -18.431 1.00 0.00 C ATOM 226 OD1 ASN A 14 1.903 -1.984 -18.569 1.00 0.00 O ATOM 227 ND2 ASN A 14 3.096 -0.647 -17.297 1.00 0.00 N ATOM 0 H ASN A 14 1.715 0.412 -19.820 1.00 0.00 H new ATOM 0 HA ASN A 14 3.829 -0.526 -21.665 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.468 -1.969 -19.713 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.565 -0.258 -19.345 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.442 -0.771 -16.524 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.912 -0.046 -17.184 1.00 0.00 H new ATOM 234 N THR A 15 1.176 -1.689 -21.986 1.00 0.00 N ATOM 235 CA THR A 15 0.299 -2.765 -22.434 1.00 0.00 C ATOM 236 C THR A 15 -0.266 -2.461 -23.820 1.00 0.00 C ATOM 237 O THR A 15 -0.482 -1.302 -24.174 1.00 0.00 O ATOM 238 CB THR A 15 -0.849 -2.953 -21.438 1.00 0.00 C ATOM 239 OG1 THR A 15 -1.619 -4.086 -21.815 1.00 0.00 O ATOM 240 CG2 THR A 15 -1.737 -1.709 -21.432 1.00 0.00 C ATOM 0 H THR A 15 0.873 -0.752 -22.254 1.00 0.00 H new ATOM 0 HA THR A 15 0.884 -3.683 -22.490 1.00 0.00 H new ATOM 0 HB THR A 15 -0.440 -3.106 -20.439 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.353 -4.209 -21.178 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.552 -1.847 -20.722 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.145 -0.841 -21.141 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.147 -1.550 -22.429 1.00 0.00 H new ATOM 248 N ALA A 16 -0.492 -3.513 -24.600 1.00 0.00 N ATOM 249 CA ALA A 16 -1.022 -3.361 -25.952 1.00 0.00 C ATOM 250 C ALA A 16 -2.382 -2.669 -25.936 1.00 0.00 C ATOM 251 O ALA A 16 -2.774 -2.031 -26.914 1.00 0.00 O ATOM 252 CB ALA A 16 -1.159 -4.734 -26.611 1.00 0.00 C ATOM 0 H ALA A 16 -0.317 -4.478 -24.321 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.327 -2.744 -26.521 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.555 -4.616 -27.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.181 -5.214 -26.659 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.839 -5.353 -26.025 1.00 0.00 H new ATOM 258 N THR A 17 -3.103 -2.806 -24.829 1.00 0.00 N ATOM 259 CA THR A 17 -4.423 -2.196 -24.708 1.00 0.00 C ATOM 260 C THR A 17 -4.347 -0.684 -24.908 1.00 0.00 C ATOM 261 O THR A 17 -5.231 -0.086 -25.521 1.00 0.00 O ATOM 262 CB THR A 17 -5.017 -2.501 -23.331 1.00 0.00 C ATOM 263 OG1 THR A 17 -5.138 -3.908 -23.172 1.00 0.00 O ATOM 264 CG2 THR A 17 -6.396 -1.852 -23.213 1.00 0.00 C ATOM 0 H THR A 17 -2.799 -3.330 -24.008 1.00 0.00 H new ATOM 0 HA THR A 17 -5.063 -2.617 -25.483 1.00 0.00 H new ATOM 0 HB THR A 17 -4.363 -2.101 -22.556 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.517 -4.106 -22.290 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.818 -2.070 -22.232 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.302 -0.773 -23.336 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.053 -2.250 -23.987 1.00 0.00 H new ATOM 272 N CYS A 18 -3.290 -0.071 -24.384 1.00 0.00 N ATOM 273 CA CYS A 18 -3.120 1.372 -24.511 1.00 0.00 C ATOM 274 C CYS A 18 -3.053 1.784 -25.978 1.00 0.00 C ATOM 275 O CYS A 18 -3.685 2.758 -26.386 1.00 0.00 O ATOM 276 CB CYS A 18 -1.841 1.816 -23.799 1.00 0.00 C ATOM 277 SG CYS A 18 -1.641 3.605 -23.991 1.00 0.00 S ATOM 0 H CYS A 18 -2.546 -0.545 -23.873 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.981 1.856 -24.049 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.890 1.555 -22.742 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.979 1.295 -24.216 1.00 0.00 H new ATOM 282 N ALA A 19 -2.282 1.043 -26.766 1.00 0.00 N ATOM 283 CA ALA A 19 -2.142 1.352 -28.184 1.00 0.00 C ATOM 284 C ALA A 19 -3.497 1.297 -28.883 1.00 0.00 C ATOM 285 O ALA A 19 -3.826 2.166 -29.687 1.00 0.00 O ATOM 286 CB ALA A 19 -1.185 0.357 -28.843 1.00 0.00 C ATOM 0 H ALA A 19 -1.749 0.232 -26.451 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.739 2.361 -28.278 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.086 0.595 -29.902 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.208 0.420 -28.364 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.578 -0.654 -28.733 1.00 0.00 H new ATOM 292 N THR A 20 -4.273 0.266 -28.581 1.00 0.00 N ATOM 293 CA THR A 20 -5.586 0.104 -29.197 1.00 0.00 C ATOM 294 C THR A 20 -6.459 1.336 -28.968 1.00 0.00 C ATOM 295 O THR A 20 -7.140 1.801 -29.883 1.00 0.00 O ATOM 296 CB THR A 20 -6.283 -1.127 -28.615 1.00 0.00 C ATOM 297 OG1 THR A 20 -5.503 -2.284 -28.885 1.00 0.00 O ATOM 298 CG2 THR A 20 -7.665 -1.282 -29.251 1.00 0.00 C ATOM 0 H THR A 20 -4.021 -0.467 -27.918 1.00 0.00 H new ATOM 0 HA THR A 20 -5.442 -0.023 -30.270 1.00 0.00 H new ATOM 0 HB THR A 20 -6.393 -1.006 -27.537 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.948 -3.073 -28.511 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.160 -2.159 -28.835 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.263 -0.395 -29.043 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.558 -1.402 -30.329 1.00 0.00 H new ATOM 306 N GLN A 21 -6.450 1.852 -27.743 1.00 0.00 N ATOM 307 CA GLN A 21 -7.262 3.018 -27.410 1.00 0.00 C ATOM 308 C GLN A 21 -6.679 4.302 -28.003 1.00 0.00 C ATOM 309 O GLN A 21 -7.363 5.022 -28.730 1.00 0.00 O ATOM 310 CB GLN A 21 -7.368 3.158 -25.890 1.00 0.00 C ATOM 311 CG GLN A 21 -7.558 4.630 -25.522 1.00 0.00 C ATOM 312 CD GLN A 21 -8.065 4.749 -24.089 1.00 0.00 C ATOM 313 OE1 GLN A 21 -9.239 5.047 -23.868 1.00 0.00 O ATOM 314 NE2 GLN A 21 -7.245 4.534 -23.097 1.00 0.00 N ATOM 0 H GLN A 21 -5.895 1.485 -26.970 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.252 2.868 -27.841 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.206 2.569 -25.518 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.468 2.767 -25.415 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.614 5.164 -25.628 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.267 5.096 -26.207 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.273 4.287 -23.283 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.576 4.613 -22.135 1.00 0.00 H new ATOM 323 N ARG A 22 -5.422 4.592 -27.680 1.00 0.00 N ATOM 324 CA ARG A 22 -4.777 5.804 -28.180 1.00 0.00 C ATOM 325 C ARG A 22 -4.765 5.838 -29.707 1.00 0.00 C ATOM 326 O ARG A 22 -4.750 6.913 -30.308 1.00 0.00 O ATOM 327 CB ARG A 22 -3.344 5.902 -27.641 1.00 0.00 C ATOM 328 CG ARG A 22 -2.435 4.906 -28.364 1.00 0.00 C ATOM 329 CD ARG A 22 -1.726 5.607 -29.524 1.00 0.00 C ATOM 330 NE ARG A 22 -0.338 5.891 -29.171 1.00 0.00 N ATOM 331 CZ ARG A 22 0.605 4.948 -29.215 1.00 0.00 C ATOM 332 NH1 ARG A 22 0.314 3.724 -29.579 1.00 0.00 N ATOM 333 NH2 ARG A 22 1.833 5.249 -28.893 1.00 0.00 N ATOM 0 H ARG A 22 -4.834 4.012 -27.081 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.353 6.660 -27.828 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.966 6.915 -27.777 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.337 5.700 -26.570 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.701 4.498 -27.669 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.022 4.067 -28.737 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.761 4.978 -30.414 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.244 6.535 -29.768 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.082 6.836 -28.883 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.644 3.482 -29.833 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.045 3.013 -29.608 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.067 6.200 -28.610 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.559 4.533 -28.924 1.00 0.00 H new ATOM 347 N LEU A 23 -4.771 4.666 -30.332 1.00 0.00 N ATOM 348 CA LEU A 23 -4.761 4.596 -31.791 1.00 0.00 C ATOM 349 C LEU A 23 -6.108 5.035 -32.355 1.00 0.00 C ATOM 350 O LEU A 23 -6.170 5.838 -33.286 1.00 0.00 O ATOM 351 CB LEU A 23 -4.451 3.166 -32.248 1.00 0.00 C ATOM 352 CG LEU A 23 -4.431 3.096 -33.779 1.00 0.00 C ATOM 353 CD1 LEU A 23 -3.292 3.962 -34.321 1.00 0.00 C ATOM 354 CD2 LEU A 23 -4.215 1.645 -34.216 1.00 0.00 C ATOM 0 H LEU A 23 -4.783 3.762 -29.860 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.987 5.268 -32.163 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.487 2.849 -31.849 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.200 2.479 -31.854 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.380 3.462 -34.170 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.281 3.909 -35.410 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.441 4.996 -34.009 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.341 3.599 -33.931 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.200 1.591 -35.305 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.265 1.284 -33.822 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.026 1.025 -33.833 1.00 0.00 H new ATOM 366 N ALA A 24 -7.183 4.495 -31.793 1.00 0.00 N ATOM 367 CA ALA A 24 -8.525 4.831 -32.255 1.00 0.00 C ATOM 368 C ALA A 24 -8.793 6.325 -32.111 1.00 0.00 C ATOM 369 O ALA A 24 -9.373 6.946 -33.001 1.00 0.00 O ATOM 370 CB ALA A 24 -9.563 4.046 -31.451 1.00 0.00 C ATOM 0 H ALA A 24 -7.153 3.827 -31.022 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.599 4.565 -33.309 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.563 4.301 -31.801 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.394 2.977 -31.584 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.472 4.299 -30.395 1.00 0.00 H new ATOM 376 N ASN A 25 -8.374 6.898 -30.987 1.00 0.00 N ATOM 377 CA ASN A 25 -8.582 8.321 -30.743 1.00 0.00 C ATOM 378 C ASN A 25 -7.819 9.166 -31.759 1.00 0.00 C ATOM 379 O ASN A 25 -8.314 10.192 -32.225 1.00 0.00 O ATOM 380 CB ASN A 25 -8.116 8.678 -29.330 1.00 0.00 C ATOM 381 CG ASN A 25 -9.070 8.081 -28.301 1.00 0.00 C ATOM 382 OD1 ASN A 25 -8.661 7.266 -27.474 1.00 0.00 O ATOM 383 ND2 ASN A 25 -10.324 8.440 -28.303 1.00 0.00 N ATOM 0 H ASN A 25 -7.892 6.404 -30.236 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.646 8.533 -30.845 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.107 8.301 -29.165 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.074 9.761 -29.214 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.969 8.045 -27.618 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.660 9.116 -28.989 1.00 0.00 H new ATOM 390 N PHE A 26 -6.608 8.733 -32.091 1.00 0.00 N ATOM 391 CA PHE A 26 -5.783 9.461 -33.048 1.00 0.00 C ATOM 392 C PHE A 26 -6.331 9.313 -34.465 1.00 0.00 C ATOM 393 O PHE A 26 -6.269 10.248 -35.264 1.00 0.00 O ATOM 394 CB PHE A 26 -4.344 8.942 -32.998 1.00 0.00 C ATOM 395 CG PHE A 26 -3.471 9.793 -33.889 1.00 0.00 C ATOM 396 CD1 PHE A 26 -3.017 11.039 -33.442 1.00 0.00 C ATOM 397 CD2 PHE A 26 -3.115 9.335 -35.164 1.00 0.00 C ATOM 398 CE1 PHE A 26 -2.207 11.827 -34.268 1.00 0.00 C ATOM 399 CE2 PHE A 26 -2.306 10.123 -35.990 1.00 0.00 C ATOM 400 CZ PHE A 26 -1.852 11.369 -35.542 1.00 0.00 C ATOM 0 H PHE A 26 -6.178 7.888 -31.715 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.800 10.517 -32.778 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.972 8.968 -31.974 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.310 7.902 -33.323 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.292 11.393 -32.459 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.465 8.373 -35.510 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.856 12.788 -33.922 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.032 9.770 -36.973 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.228 11.977 -36.180 1.00 0.00 H new ATOM 410 N LEU A 27 -6.856 8.132 -34.775 1.00 0.00 N ATOM 411 CA LEU A 27 -7.399 7.871 -36.104 1.00 0.00 C ATOM 412 C LEU A 27 -8.605 8.770 -36.377 1.00 0.00 C ATOM 413 O LEU A 27 -8.604 9.551 -37.328 1.00 0.00 O ATOM 414 CB LEU A 27 -7.793 6.383 -36.203 1.00 0.00 C ATOM 415 CG LEU A 27 -8.436 6.027 -37.564 1.00 0.00 C ATOM 416 CD1 LEU A 27 -9.950 6.299 -37.533 1.00 0.00 C ATOM 417 CD2 LEU A 27 -7.784 6.820 -38.708 1.00 0.00 C ATOM 0 H LEU A 27 -6.917 7.345 -34.129 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.642 8.094 -36.856 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.908 5.766 -36.051 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.491 6.142 -35.401 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.270 4.965 -37.743 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.386 6.043 -38.499 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.413 5.693 -36.754 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.126 7.354 -37.324 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.256 6.550 -39.653 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.913 7.888 -38.530 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.720 6.586 -38.753 1.00 0.00 H new ATOM 429 N VAL A 28 -9.634 8.656 -35.542 1.00 0.00 N ATOM 430 CA VAL A 28 -10.842 9.460 -35.717 1.00 0.00 C ATOM 431 C VAL A 28 -10.508 10.943 -35.862 1.00 0.00 C ATOM 432 O VAL A 28 -11.296 11.711 -36.415 1.00 0.00 O ATOM 433 CB VAL A 28 -11.777 9.269 -34.520 1.00 0.00 C ATOM 434 CG1 VAL A 28 -12.215 7.806 -34.439 1.00 0.00 C ATOM 435 CG2 VAL A 28 -11.048 9.656 -33.232 1.00 0.00 C ATOM 0 H VAL A 28 -9.657 8.021 -34.744 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.334 9.125 -36.630 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.655 9.903 -34.644 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.881 7.672 -33.586 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.739 7.532 -35.355 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.338 7.170 -34.318 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.715 9.519 -32.381 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.168 9.025 -33.108 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.740 10.700 -33.288 1.00 0.00 H new ATOM 445 N HIS A 29 -9.345 11.345 -35.359 1.00 0.00 N ATOM 446 CA HIS A 29 -8.936 12.743 -35.438 1.00 0.00 C ATOM 447 C HIS A 29 -8.055 12.984 -36.660 1.00 0.00 C ATOM 448 O HIS A 29 -8.052 14.075 -37.230 1.00 0.00 O ATOM 449 CB HIS A 29 -8.171 13.133 -34.171 1.00 0.00 C ATOM 450 CG HIS A 29 -7.675 14.546 -34.299 1.00 0.00 C ATOM 451 ND1 HIS A 29 -8.527 15.638 -34.240 1.00 0.00 N ATOM 452 CD2 HIS A 29 -6.416 15.063 -34.484 1.00 0.00 C ATOM 453 CE1 HIS A 29 -7.777 16.746 -34.386 1.00 0.00 C ATOM 454 NE2 HIS A 29 -6.483 16.452 -34.538 1.00 0.00 N ATOM 0 H HIS A 29 -8.675 10.730 -34.897 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.832 13.357 -35.529 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.819 13.042 -33.300 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.332 12.454 -34.017 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.511 14.480 -34.574 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.173 17.751 -34.381 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.710 17.105 -34.666 1.00 0.00 H new ATOM 463 N SER A 30 -7.306 11.960 -37.052 1.00 0.00 N ATOM 464 CA SER A 30 -6.416 12.065 -38.204 1.00 0.00 C ATOM 465 C SER A 30 -7.050 11.450 -39.449 1.00 0.00 C ATOM 466 O SER A 30 -6.351 11.120 -40.407 1.00 0.00 O ATOM 467 CB SER A 30 -5.093 11.359 -37.903 1.00 0.00 C ATOM 468 OG SER A 30 -4.113 11.779 -38.843 1.00 0.00 O ATOM 0 H SER A 30 -7.296 11.050 -36.591 1.00 0.00 H new ATOM 0 HA SER A 30 -6.235 13.123 -38.397 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.765 11.592 -36.890 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.224 10.278 -37.955 1.00 0.00 H new ATOM 0 HG SER A 30 -3.263 11.330 -38.652 1.00 0.00 H new ATOM 474 N SER A 31 -8.373 11.299 -39.434 1.00 0.00 N ATOM 475 CA SER A 31 -9.076 10.725 -40.577 1.00 0.00 C ATOM 476 C SER A 31 -8.641 11.414 -41.867 1.00 0.00 C ATOM 477 O SER A 31 -8.288 10.755 -42.845 1.00 0.00 O ATOM 478 CB SER A 31 -10.586 10.886 -40.394 1.00 0.00 C ATOM 479 OG SER A 31 -11.255 10.360 -41.533 1.00 0.00 O ATOM 0 H SER A 31 -8.973 11.563 -38.652 1.00 0.00 H new ATOM 0 HA SER A 31 -8.830 9.665 -40.641 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.912 10.366 -39.494 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.838 11.938 -40.263 1.00 0.00 H new ATOM 0 HG SER A 31 -12.223 10.460 -41.419 1.00 0.00 H new ATOM 485 N ASN A 32 -8.677 12.745 -41.857 1.00 0.00 N ATOM 486 CA ASN A 32 -8.289 13.526 -43.028 1.00 0.00 C ATOM 487 C ASN A 32 -6.972 13.011 -43.600 1.00 0.00 C ATOM 488 O ASN A 32 -6.874 12.717 -44.791 1.00 0.00 O ATOM 489 CB ASN A 32 -8.144 15.001 -42.651 1.00 0.00 C ATOM 490 CG ASN A 32 -7.338 15.135 -41.363 1.00 0.00 C ATOM 491 OD1 ASN A 32 -7.787 14.701 -40.301 1.00 0.00 O ATOM 492 ND2 ASN A 32 -6.168 15.711 -41.392 1.00 0.00 N ATOM 0 H ASN A 32 -8.970 13.302 -41.055 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.067 13.423 -43.785 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.650 15.544 -43.457 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.129 15.450 -42.522 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.623 15.803 -40.535 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.798 16.070 -42.272 1.00 0.00 H new ATOM 499 N ASN A 33 -5.966 12.898 -42.741 1.00 0.00 N ATOM 500 CA ASN A 33 -4.662 12.409 -43.171 1.00 0.00 C ATOM 501 C ASN A 33 -4.795 11.029 -43.805 1.00 0.00 C ATOM 502 O ASN A 33 -4.212 10.763 -44.856 1.00 0.00 O ATOM 503 CB ASN A 33 -3.705 12.339 -41.979 1.00 0.00 C ATOM 504 CG ASN A 33 -3.294 13.746 -41.556 1.00 0.00 C ATOM 505 OD1 ASN A 33 -3.435 14.693 -42.329 1.00 0.00 O ATOM 506 ND2 ASN A 33 -2.788 13.939 -40.368 1.00 0.00 N ATOM 0 H ASN A 33 -6.027 13.136 -41.751 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.261 13.101 -43.911 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.186 11.826 -41.146 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.822 11.758 -42.245 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.509 14.876 -40.079 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.672 13.152 -39.729 1.00 0.00 H new ATOM 513 N PHE A 34 -5.563 10.152 -43.167 1.00 0.00 N ATOM 514 CA PHE A 34 -5.756 8.804 -43.691 1.00 0.00 C ATOM 515 C PHE A 34 -6.315 8.859 -45.110 1.00 0.00 C ATOM 516 O PHE A 34 -5.844 8.153 -46.001 1.00 0.00 O ATOM 517 CB PHE A 34 -6.719 8.026 -42.792 1.00 0.00 C ATOM 518 CG PHE A 34 -6.916 6.636 -43.347 1.00 0.00 C ATOM 519 CD1 PHE A 34 -5.884 5.694 -43.257 1.00 0.00 C ATOM 520 CD2 PHE A 34 -8.130 6.288 -43.952 1.00 0.00 C ATOM 521 CE1 PHE A 34 -6.066 4.404 -43.772 1.00 0.00 C ATOM 522 CE2 PHE A 34 -8.312 4.999 -44.467 1.00 0.00 C ATOM 523 CZ PHE A 34 -7.280 4.057 -44.376 1.00 0.00 C ATOM 0 H PHE A 34 -6.057 10.347 -42.296 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.790 8.299 -43.710 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.322 7.971 -41.778 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.676 8.544 -42.732 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.948 5.962 -42.790 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.926 7.014 -44.021 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.270 3.678 -43.703 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.248 4.731 -44.934 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.421 3.062 -44.772 1.00 0.00 H new ATOM 533 N GLY A 35 -7.320 9.706 -45.309 1.00 0.00 N ATOM 534 CA GLY A 35 -7.935 9.850 -46.624 1.00 0.00 C ATOM 535 C GLY A 35 -6.920 10.355 -47.643 1.00 0.00 C ATOM 536 O GLY A 35 -6.785 9.798 -48.732 1.00 0.00 O ATOM 0 H GLY A 35 -7.723 10.299 -44.583 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.337 8.891 -46.949 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.774 10.544 -46.564 1.00 0.00 H new ATOM 540 N ALA A 36 -6.217 11.422 -47.281 1.00 0.00 N ATOM 541 CA ALA A 36 -5.220 12.013 -48.167 1.00 0.00 C ATOM 542 C ALA A 36 -4.161 10.986 -48.557 1.00 0.00 C ATOM 543 O ALA A 36 -3.746 10.919 -49.714 1.00 0.00 O ATOM 544 CB ALA A 36 -4.547 13.199 -47.473 1.00 0.00 C ATOM 0 H ALA A 36 -6.318 11.895 -46.383 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.726 12.353 -49.071 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.803 13.636 -48.139 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.298 13.949 -47.225 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.060 12.857 -46.560 1.00 0.00 H new ATOM 550 N ILE A 37 -3.727 10.190 -47.587 1.00 0.00 N ATOM 551 CA ILE A 37 -2.713 9.172 -47.845 1.00 0.00 C ATOM 552 C ILE A 37 -3.230 8.123 -48.825 1.00 0.00 C ATOM 553 O ILE A 37 -2.550 7.781 -49.792 1.00 0.00 O ATOM 554 CB ILE A 37 -2.302 8.495 -46.536 1.00 0.00 C ATOM 555 CG1 ILE A 37 -1.486 9.475 -45.688 1.00 0.00 C ATOM 556 CG2 ILE A 37 -1.453 7.261 -46.843 1.00 0.00 C ATOM 557 CD1 ILE A 37 -1.330 8.918 -44.272 1.00 0.00 C ATOM 0 H ILE A 37 -4.057 10.228 -46.623 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.846 9.663 -48.287 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.195 8.195 -45.988 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.506 9.633 -46.138 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.982 10.445 -45.656 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.161 6.779 -45.910 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.032 6.562 -47.446 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.560 7.561 -47.392 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.749 9.616 -43.669 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.314 8.783 -43.824 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.815 7.958 -44.313 1.00 0.00 H new ATOM 569 N LEU A 38 -4.430 7.611 -48.571 1.00 0.00 N ATOM 570 CA LEU A 38 -5.013 6.597 -49.443 1.00 0.00 C ATOM 571 C LEU A 38 -5.238 7.160 -50.844 1.00 0.00 C ATOM 572 O LEU A 38 -5.029 6.470 -51.841 1.00 0.00 O ATOM 573 CB LEU A 38 -6.345 6.112 -48.859 1.00 0.00 C ATOM 574 CG LEU A 38 -6.950 5.030 -49.759 1.00 0.00 C ATOM 575 CD1 LEU A 38 -6.039 3.800 -49.773 1.00 0.00 C ATOM 576 CD2 LEU A 38 -8.326 4.635 -49.219 1.00 0.00 C ATOM 0 H LEU A 38 -5.013 7.878 -47.777 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.321 5.758 -49.511 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.189 5.716 -47.856 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.037 6.949 -48.767 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.049 5.417 -50.773 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.473 3.033 -50.414 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.057 4.079 -50.155 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.937 3.411 -48.760 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.760 3.865 -49.857 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.222 4.250 -48.205 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.978 5.509 -49.210 1.00 0.00 H new ATOM 588 N SER A 39 -5.669 8.414 -50.909 1.00 0.00 N ATOM 589 CA SER A 39 -5.926 9.060 -52.191 1.00 0.00 C ATOM 590 C SER A 39 -4.740 8.876 -53.133 1.00 0.00 C ATOM 591 O SER A 39 -4.906 8.812 -54.351 1.00 0.00 O ATOM 592 CB SER A 39 -6.185 10.551 -51.981 1.00 0.00 C ATOM 593 OG SER A 39 -6.397 11.174 -53.241 1.00 0.00 O ATOM 0 H SER A 39 -5.847 9.001 -50.094 1.00 0.00 H new ATOM 0 HA SER A 39 -6.806 8.597 -52.639 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.056 10.694 -51.341 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.337 11.011 -51.473 1.00 0.00 H new ATOM 0 HG SER A 39 -6.565 12.130 -53.109 1.00 0.00 H new ATOM 599 N SER A 40 -3.544 8.796 -52.559 1.00 0.00 N ATOM 600 CA SER A 40 -2.333 8.624 -53.353 1.00 0.00 C ATOM 601 C SER A 40 -2.015 7.143 -53.544 1.00 0.00 C ATOM 602 O SER A 40 -0.849 6.748 -53.560 1.00 0.00 O ATOM 603 CB SER A 40 -1.156 9.314 -52.663 1.00 0.00 C ATOM 604 OG SER A 40 -1.413 10.710 -52.582 1.00 0.00 O ATOM 0 H SER A 40 -3.388 8.847 -51.552 1.00 0.00 H new ATOM 0 HA SER A 40 -2.499 9.074 -54.332 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.011 8.901 -51.665 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.236 9.133 -53.219 1.00 0.00 H new ATOM 0 HG SER A 40 -0.661 11.156 -52.139 1.00 0.00 H new ATOM 610 N THR A 41 -3.057 6.329 -53.688 1.00 0.00 N ATOM 611 CA THR A 41 -2.871 4.893 -53.877 1.00 0.00 C ATOM 612 C THR A 41 -2.647 4.553 -55.351 1.00 0.00 C ATOM 613 O THR A 41 -2.758 3.393 -55.747 1.00 0.00 O ATOM 614 CB THR A 41 -4.098 4.136 -53.360 1.00 0.00 C ATOM 615 OG1 THR A 41 -3.897 2.740 -53.534 1.00 0.00 O ATOM 616 CG2 THR A 41 -5.342 4.574 -54.135 1.00 0.00 C ATOM 0 H THR A 41 -4.030 6.635 -53.678 1.00 0.00 H new ATOM 0 HA THR A 41 -1.987 4.591 -53.315 1.00 0.00 H new ATOM 0 HB THR A 41 -4.240 4.357 -52.302 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.593 2.565 -54.449 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.212 4.032 -53.763 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.496 5.645 -54.000 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.206 4.358 -55.195 1.00 0.00 H new ATOM 624 N ASN A 42 -2.330 5.561 -56.160 1.00 0.00 N ATOM 625 CA ASN A 42 -2.094 5.336 -57.581 1.00 0.00 C ATOM 626 C ASN A 42 -0.610 5.096 -57.858 1.00 0.00 C ATOM 627 O ASN A 42 -0.167 5.168 -59.004 1.00 0.00 O ATOM 628 CB ASN A 42 -2.575 6.545 -58.386 1.00 0.00 C ATOM 629 CG ASN A 42 -1.696 7.754 -58.084 1.00 0.00 C ATOM 630 OD1 ASN A 42 -0.904 7.728 -57.142 1.00 0.00 O ATOM 631 ND2 ASN A 42 -1.788 8.819 -58.833 1.00 0.00 N ATOM 0 H ASN A 42 -2.232 6.531 -55.859 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.651 4.449 -57.882 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.543 6.319 -59.452 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.613 6.768 -58.138 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.203 9.632 -58.638 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.445 8.839 -59.613 1.00 0.00 H new ATOM 638 N VAL A 43 0.155 4.809 -56.806 1.00 0.00 N ATOM 639 CA VAL A 43 1.583 4.560 -56.959 1.00 0.00 C ATOM 640 C VAL A 43 1.852 3.072 -57.189 1.00 0.00 C ATOM 641 O VAL A 43 2.968 2.595 -56.986 1.00 0.00 O ATOM 642 CB VAL A 43 2.327 5.040 -55.708 1.00 0.00 C ATOM 643 CG1 VAL A 43 2.152 4.020 -54.577 1.00 0.00 C ATOM 644 CG2 VAL A 43 3.817 5.208 -56.024 1.00 0.00 C ATOM 0 H VAL A 43 -0.188 4.744 -55.848 1.00 0.00 H new ATOM 0 HA VAL A 43 1.942 5.111 -57.828 1.00 0.00 H new ATOM 0 HB VAL A 43 1.916 5.999 -55.394 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.683 4.366 -53.690 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.092 3.911 -54.346 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.556 3.057 -54.890 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.342 5.549 -55.132 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.231 4.252 -56.345 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.940 5.942 -56.820 1.00 0.00 H new ATOM 654 N GLY A 44 0.824 2.343 -57.617 1.00 0.00 N ATOM 655 CA GLY A 44 0.969 0.914 -57.869 1.00 0.00 C ATOM 656 C GLY A 44 0.237 0.091 -56.813 1.00 0.00 C ATOM 657 O GLY A 44 0.532 -1.088 -56.619 1.00 0.00 O ATOM 0 H GLY A 44 -0.109 2.715 -57.795 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.576 0.675 -58.857 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.026 0.648 -57.873 1.00 0.00 H new ATOM 661 N SER A 45 -0.719 0.718 -56.132 1.00 0.00 N ATOM 662 CA SER A 45 -1.484 0.029 -55.100 1.00 0.00 C ATOM 663 C SER A 45 -2.980 0.141 -55.380 1.00 0.00 C ATOM 664 O SER A 45 -3.797 0.121 -54.459 1.00 0.00 O ATOM 665 CB SER A 45 -1.173 0.631 -53.729 1.00 0.00 C ATOM 666 OG SER A 45 -1.489 2.016 -53.742 1.00 0.00 O ATOM 0 H SER A 45 -0.980 1.694 -56.275 1.00 0.00 H new ATOM 0 HA SER A 45 -1.202 -1.024 -55.106 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.749 0.122 -52.956 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.120 0.489 -53.487 1.00 0.00 H new ATOM 0 HG SER A 45 -2.338 2.162 -53.274 1.00 0.00 H new ATOM 672 N ASN A 46 -3.330 0.263 -56.656 1.00 0.00 N ATOM 673 CA ASN A 46 -4.730 0.381 -57.046 1.00 0.00 C ATOM 674 C ASN A 46 -5.311 -0.985 -57.407 1.00 0.00 C ATOM 675 O ASN A 46 -6.305 -1.075 -58.127 1.00 0.00 O ATOM 676 CB ASN A 46 -4.859 1.324 -58.244 1.00 0.00 C ATOM 677 CG ASN A 46 -4.206 0.700 -59.473 1.00 0.00 C ATOM 678 OD1 ASN A 46 -3.508 -0.308 -59.362 1.00 0.00 O ATOM 679 ND2 ASN A 46 -4.393 1.241 -60.646 1.00 0.00 N ATOM 0 H ASN A 46 -2.669 0.283 -57.433 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.287 0.784 -56.201 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.911 1.528 -58.445 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.387 2.280 -58.017 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.961 0.829 -61.473 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.972 2.076 -60.736 1.00 0.00 H new ATOM 686 N THR A 47 -4.685 -2.045 -56.904 1.00 0.00 N ATOM 687 CA THR A 47 -5.152 -3.398 -57.183 1.00 0.00 C ATOM 688 C THR A 47 -6.095 -3.879 -56.083 1.00 0.00 C ATOM 689 O THR A 47 -6.223 -5.079 -55.844 1.00 0.00 O ATOM 690 CB THR A 47 -3.959 -4.351 -57.288 1.00 0.00 C ATOM 691 OG1 THR A 47 -2.862 -3.669 -57.879 1.00 0.00 O ATOM 692 CG2 THR A 47 -4.339 -5.555 -58.151 1.00 0.00 C ATOM 0 H THR A 47 -3.860 -1.994 -56.306 1.00 0.00 H new ATOM 0 HA THR A 47 -5.693 -3.387 -58.129 1.00 0.00 H new ATOM 0 HB THR A 47 -3.680 -4.696 -56.292 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.096 -4.277 -57.946 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.488 -6.233 -58.225 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.181 -6.077 -57.696 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.619 -5.214 -59.148 1.00 0.00 H new ATOM 700 N TYR A 48 -6.751 -2.933 -55.418 1.00 0.00 N ATOM 701 CA TYR A 48 -7.679 -3.272 -54.344 1.00 0.00 C ATOM 702 C TYR A 48 -9.091 -2.796 -54.677 1.00 0.00 C ATOM 703 O TYR A 48 -9.917 -2.606 -53.785 1.00 0.00 O ATOM 704 CB TYR A 48 -7.215 -2.629 -53.034 1.00 0.00 C ATOM 705 CG TYR A 48 -7.470 -1.141 -53.081 1.00 0.00 C ATOM 706 CD1 TYR A 48 -8.540 -0.590 -52.365 1.00 0.00 C ATOM 707 CD2 TYR A 48 -6.637 -0.311 -53.841 1.00 0.00 C ATOM 708 CE1 TYR A 48 -8.777 0.789 -52.409 1.00 0.00 C ATOM 709 CE2 TYR A 48 -6.874 1.068 -53.886 1.00 0.00 C ATOM 710 CZ TYR A 48 -7.944 1.618 -53.169 1.00 0.00 C ATOM 711 OH TYR A 48 -8.178 2.977 -53.213 1.00 0.00 O ATOM 0 H TYR A 48 -6.659 -1.934 -55.601 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.695 -4.356 -54.233 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.746 -3.073 -52.192 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.153 -2.821 -52.879 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.183 -1.229 -51.778 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.811 -0.735 -54.393 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.602 1.213 -51.857 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.232 1.708 -54.473 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.587 3.266 -52.371 1.00 0.00 H new ATOM 721 N GLY A 49 -9.362 -2.606 -55.966 1.00 0.00 N ATOM 722 CA GLY A 49 -10.679 -2.151 -56.400 1.00 0.00 C ATOM 723 C GLY A 49 -11.784 -2.980 -55.755 1.00 0.00 C ATOM 724 O GLY A 49 -11.985 -4.144 -56.102 1.00 0.00 O ATOM 0 H GLY A 49 -8.694 -2.758 -56.721 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.809 -1.101 -56.140 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.753 -2.222 -57.485 1.00 0.00 H new ATOM 728 N LYS A 50 -12.499 -2.372 -54.813 1.00 0.00 N ATOM 729 CA LYS A 50 -13.583 -3.061 -54.124 1.00 0.00 C ATOM 730 C LYS A 50 -14.761 -3.283 -55.068 1.00 0.00 C ATOM 731 O LYS A 50 -15.536 -4.224 -54.898 1.00 0.00 O ATOM 732 CB LYS A 50 -14.042 -2.240 -52.918 1.00 0.00 C ATOM 733 CG LYS A 50 -12.953 -2.258 -51.843 1.00 0.00 C ATOM 734 CD LYS A 50 -13.479 -1.596 -50.568 1.00 0.00 C ATOM 735 CE LYS A 50 -13.602 -0.086 -50.787 1.00 0.00 C ATOM 736 NZ LYS A 50 -12.261 0.480 -51.109 1.00 0.00 N ATOM 0 H LYS A 50 -12.348 -1.409 -54.511 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.215 -4.029 -53.785 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.251 -1.214 -53.221 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.970 -2.649 -52.518 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.651 -3.284 -51.634 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.067 -1.732 -52.199 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.449 -2.015 -50.302 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.805 -1.799 -49.736 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.300 0.119 -51.599 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.005 0.390 -49.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.237 1.486 -50.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.530 -0.034 -50.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.079 0.383 -52.128 1.00 0.00 H new ATOM 750 N ARG A 51 -14.888 -2.410 -56.061 1.00 0.00 N ATOM 751 CA ARG A 51 -15.976 -2.519 -57.026 1.00 0.00 C ATOM 752 C ARG A 51 -15.920 -3.856 -57.763 1.00 0.00 C ATOM 753 O ARG A 51 -16.911 -4.292 -58.350 1.00 0.00 O ATOM 754 CB ARG A 51 -15.897 -1.372 -58.038 1.00 0.00 C ATOM 755 CG ARG A 51 -14.689 -1.575 -58.956 1.00 0.00 C ATOM 756 CD ARG A 51 -14.517 -0.347 -59.851 1.00 0.00 C ATOM 757 NE ARG A 51 -13.412 -0.551 -60.783 1.00 0.00 N ATOM 758 CZ ARG A 51 -12.140 -0.386 -60.412 1.00 0.00 C ATOM 759 NH1 ARG A 51 -11.838 -0.036 -59.187 1.00 0.00 N ATOM 760 NH2 ARG A 51 -11.186 -0.576 -61.281 1.00 0.00 N ATOM 0 H ARG A 51 -14.256 -1.625 -56.219 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.919 -2.461 -56.482 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -16.812 -1.332 -58.629 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.813 -0.419 -57.516 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.789 -1.734 -58.361 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.829 -2.467 -59.567 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.438 -0.159 -60.403 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.327 0.534 -59.238 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.617 -0.827 -61.743 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.579 0.114 -58.502 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.862 0.086 -58.918 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.414 -0.849 -62.237 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.212 -0.452 -61.005 1.00 0.00 H new ATOM 774 N ASN A 52 -14.760 -4.507 -57.727 1.00 0.00 N ATOM 775 CA ASN A 52 -14.599 -5.794 -58.393 1.00 0.00 C ATOM 776 C ASN A 52 -15.115 -6.924 -57.508 1.00 0.00 C ATOM 777 O ASN A 52 -15.513 -7.980 -58.001 1.00 0.00 O ATOM 778 CB ASN A 52 -13.124 -6.033 -58.720 1.00 0.00 C ATOM 779 CG ASN A 52 -12.999 -6.761 -60.054 1.00 0.00 C ATOM 780 OD1 ASN A 52 -12.057 -6.519 -60.809 1.00 0.00 O ATOM 781 ND2 ASN A 52 -13.898 -7.645 -60.392 1.00 0.00 N ATOM 0 H ASN A 52 -13.926 -4.168 -57.248 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.177 -5.778 -59.317 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.594 -5.082 -58.764 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.658 -6.622 -57.930 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.821 -8.136 -61.283 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.678 -7.845 -59.766 1.00 0.00 H new ATOM 788 N ALA A 53 -15.105 -6.695 -56.198 1.00 0.00 N ATOM 789 CA ALA A 53 -15.572 -7.701 -55.251 1.00 0.00 C ATOM 790 C ALA A 53 -17.042 -8.030 -55.488 1.00 0.00 C ATOM 791 O ALA A 53 -17.430 -9.197 -55.495 1.00 0.00 O ATOM 792 CB ALA A 53 -15.388 -7.192 -53.820 1.00 0.00 C ATOM 0 H ALA A 53 -14.781 -5.827 -55.771 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.984 -8.607 -55.398 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.739 -7.948 -53.117 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.332 -6.990 -53.639 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.962 -6.275 -53.683 1.00 0.00 H new ATOM 798 N VAL A 54 -17.859 -6.999 -55.676 1.00 0.00 N ATOM 799 CA VAL A 54 -19.284 -7.211 -55.906 1.00 0.00 C ATOM 800 C VAL A 54 -19.526 -7.754 -57.311 1.00 0.00 C ATOM 801 O VAL A 54 -20.475 -8.504 -57.540 1.00 0.00 O ATOM 802 CB VAL A 54 -20.053 -5.903 -55.713 1.00 0.00 C ATOM 803 CG1 VAL A 54 -19.726 -4.940 -56.855 1.00 0.00 C ATOM 804 CG2 VAL A 54 -21.556 -6.192 -55.707 1.00 0.00 C ATOM 0 H VAL A 54 -17.565 -6.022 -55.674 1.00 0.00 H new ATOM 0 HA VAL A 54 -19.642 -7.943 -55.182 1.00 0.00 H new ATOM 0 HB VAL A 54 -19.763 -5.451 -54.764 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -20.275 -4.009 -56.715 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.656 -4.732 -56.861 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.013 -5.391 -57.805 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -22.105 -5.260 -55.569 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.843 -6.646 -56.656 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -21.792 -6.876 -54.892 1.00 0.00 H new ATOM 814 N GLU A 55 -18.662 -7.376 -58.248 1.00 0.00 N ATOM 815 CA GLU A 55 -18.792 -7.837 -59.625 1.00 0.00 C ATOM 816 C GLU A 55 -18.606 -9.349 -59.707 1.00 0.00 C ATOM 817 O GLU A 55 -19.375 -10.043 -60.374 1.00 0.00 O ATOM 818 CB GLU A 55 -17.744 -7.145 -60.501 1.00 0.00 C ATOM 819 CG GLU A 55 -18.048 -7.415 -61.976 1.00 0.00 C ATOM 820 CD GLU A 55 -17.486 -8.772 -62.393 1.00 0.00 C ATOM 821 OE1 GLU A 55 -16.476 -9.171 -61.837 1.00 0.00 O ATOM 822 OE2 GLU A 55 -18.074 -9.392 -63.263 1.00 0.00 O ATOM 0 H GLU A 55 -17.870 -6.756 -58.080 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.792 -7.588 -59.981 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.746 -6.072 -60.309 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.748 -7.511 -60.252 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.125 -7.393 -62.142 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.614 -6.629 -62.594 1.00 0.00 H new ATOM 829 N VAL A 56 -17.581 -9.854 -59.028 1.00 0.00 N ATOM 830 CA VAL A 56 -17.306 -11.287 -59.036 1.00 0.00 C ATOM 831 C VAL A 56 -18.293 -12.031 -58.142 1.00 0.00 C ATOM 832 O VAL A 56 -18.644 -13.179 -58.415 1.00 0.00 O ATOM 833 CB VAL A 56 -15.873 -11.553 -58.565 1.00 0.00 C ATOM 834 CG1 VAL A 56 -15.717 -11.121 -57.107 1.00 0.00 C ATOM 835 CG2 VAL A 56 -15.568 -13.048 -58.687 1.00 0.00 C ATOM 0 H VAL A 56 -16.932 -9.299 -58.470 1.00 0.00 H new ATOM 0 HA VAL A 56 -17.420 -11.651 -60.057 1.00 0.00 H new ATOM 0 HB VAL A 56 -15.180 -10.984 -59.184 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -14.696 -11.313 -56.778 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -15.933 -10.056 -57.018 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -16.411 -11.685 -56.484 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.549 -13.240 -58.352 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.265 -13.613 -58.069 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.673 -13.357 -59.727 1.00 0.00 H new ATOM 845 N LEU A 57 -18.742 -11.373 -57.077 1.00 0.00 N ATOM 846 CA LEU A 57 -19.693 -11.987 -56.157 1.00 0.00 C ATOM 847 C LEU A 57 -20.994 -12.325 -56.876 1.00 0.00 C ATOM 848 O LEU A 57 -21.595 -13.372 -56.633 1.00 0.00 O ATOM 849 CB LEU A 57 -19.988 -11.033 -54.997 1.00 0.00 C ATOM 850 CG LEU A 57 -19.394 -11.598 -53.705 1.00 0.00 C ATOM 851 CD1 LEU A 57 -17.893 -11.307 -53.660 1.00 0.00 C ATOM 852 CD2 LEU A 57 -20.077 -10.943 -52.503 1.00 0.00 C ATOM 0 H LEU A 57 -18.465 -10.423 -56.831 1.00 0.00 H new ATOM 0 HA LEU A 57 -19.252 -12.907 -55.772 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -19.565 -10.050 -55.204 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -21.064 -10.900 -54.887 1.00 0.00 H new ATOM 0 HG LEU A 57 -19.554 -12.676 -53.673 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -17.472 -11.710 -52.739 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -17.406 -11.773 -54.516 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -17.730 -10.230 -53.692 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.655 -11.344 -51.582 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.917 -9.865 -52.536 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.146 -11.152 -52.534 1.00 0.00 H new ATOM 864 N LYS A 58 -21.426 -11.431 -57.759 1.00 0.00 N ATOM 865 CA LYS A 58 -22.660 -11.645 -58.506 1.00 0.00 C ATOM 866 C LYS A 58 -22.552 -12.889 -59.381 1.00 0.00 C ATOM 867 O LYS A 58 -23.475 -13.702 -59.436 1.00 0.00 O ATOM 868 CB LYS A 58 -22.959 -10.426 -59.382 1.00 0.00 C ATOM 869 CG LYS A 58 -23.433 -9.265 -58.504 1.00 0.00 C ATOM 870 CD LYS A 58 -24.900 -9.476 -58.123 1.00 0.00 C ATOM 871 CE LYS A 58 -25.403 -8.262 -57.340 1.00 0.00 C ATOM 872 NZ LYS A 58 -24.714 -8.203 -56.019 1.00 0.00 N ATOM 0 H LYS A 58 -20.944 -10.558 -57.974 1.00 0.00 H new ATOM 0 HA LYS A 58 -23.472 -11.788 -57.793 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -22.066 -10.135 -59.935 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -23.724 -10.674 -60.118 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -22.819 -9.201 -57.606 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -23.317 -8.321 -59.037 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -25.503 -9.619 -59.020 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -25.004 -10.379 -57.521 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -25.212 -7.348 -57.903 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -26.482 -8.329 -57.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -25.212 -7.535 -55.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -24.716 -9.148 -55.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.733 -7.885 -56.153 1.00 0.00 H new ATOM 886 N ARG A 59 -21.422 -13.030 -60.066 1.00 0.00 N ATOM 887 CA ARG A 59 -21.209 -14.179 -60.938 1.00 0.00 C ATOM 888 C ARG A 59 -21.048 -15.455 -60.117 1.00 0.00 C ATOM 889 O ARG A 59 -21.532 -16.519 -60.503 1.00 0.00 O ATOM 890 CB ARG A 59 -19.963 -13.959 -61.797 1.00 0.00 C ATOM 891 CG ARG A 59 -19.919 -15.006 -62.912 1.00 0.00 C ATOM 892 CD ARG A 59 -19.022 -16.169 -62.484 1.00 0.00 C ATOM 893 NE ARG A 59 -18.799 -17.075 -63.607 1.00 0.00 N ATOM 894 CZ ARG A 59 -18.146 -18.229 -63.457 1.00 0.00 C ATOM 895 NH1 ARG A 59 -17.679 -18.588 -62.288 1.00 0.00 N ATOM 896 NH2 ARG A 59 -17.972 -19.010 -64.488 1.00 0.00 N ATOM 0 H ARG A 59 -20.646 -12.369 -60.035 1.00 0.00 H new ATOM 0 HA ARG A 59 -22.080 -14.287 -61.584 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -19.976 -12.957 -62.225 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.067 -14.031 -61.181 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.925 -15.368 -63.126 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.539 -14.559 -63.831 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.068 -15.787 -62.121 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.484 -16.709 -61.658 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.151 -16.819 -64.529 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.812 -17.983 -61.478 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.182 -19.473 -62.187 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.334 -18.737 -65.402 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.474 -19.893 -64.380 1.00 0.00 H new ATOM 910 N GLU A 60 -20.362 -15.342 -58.984 1.00 0.00 N ATOM 911 CA GLU A 60 -20.140 -16.495 -58.118 1.00 0.00 C ATOM 912 C GLU A 60 -21.412 -16.829 -57.336 1.00 0.00 C ATOM 913 O GLU A 60 -22.273 -15.970 -57.148 1.00 0.00 O ATOM 914 CB GLU A 60 -18.996 -16.198 -57.143 1.00 0.00 C ATOM 915 CG GLU A 60 -17.654 -16.338 -57.866 1.00 0.00 C ATOM 916 CD GLU A 60 -17.424 -17.791 -58.267 1.00 0.00 C ATOM 917 OE1 GLU A 60 -17.249 -18.037 -59.449 1.00 0.00 O ATOM 918 OE2 GLU A 60 -17.425 -18.635 -57.388 1.00 0.00 O ATOM 0 H GLU A 60 -19.953 -14.471 -58.646 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.875 -17.352 -58.738 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.100 -15.190 -56.741 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -19.038 -16.885 -56.297 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.641 -15.702 -58.751 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.846 -15.999 -57.218 1.00 0.00 H new ATOM 925 N PRO A 61 -21.546 -18.051 -56.879 1.00 0.00 N ATOM 926 CA PRO A 61 -22.743 -18.491 -56.102 1.00 0.00 C ATOM 927 C PRO A 61 -22.772 -17.914 -54.686 1.00 0.00 C ATOM 928 O PRO A 61 -23.743 -18.106 -53.954 1.00 0.00 O ATOM 929 CB PRO A 61 -22.619 -20.014 -56.071 1.00 0.00 C ATOM 930 CG PRO A 61 -21.162 -20.295 -56.223 1.00 0.00 C ATOM 931 CD PRO A 61 -20.577 -19.148 -57.050 1.00 0.00 C ATOM 0 HA PRO A 61 -23.669 -18.143 -56.559 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -23.002 -20.421 -55.135 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -23.194 -20.472 -56.876 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.676 -20.357 -55.249 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -21.002 -21.252 -56.720 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -19.587 -18.864 -56.694 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -20.471 -19.426 -58.099 1.00 0.00 H new ATOM 939 N LEU A 62 -21.713 -17.204 -54.303 1.00 0.00 N ATOM 940 CA LEU A 62 -21.652 -16.609 -52.974 1.00 0.00 C ATOM 941 C LEU A 62 -22.866 -15.716 -52.737 1.00 0.00 C ATOM 942 O LEU A 62 -23.465 -15.737 -51.662 1.00 0.00 O ATOM 943 CB LEU A 62 -20.372 -15.781 -52.832 1.00 0.00 C ATOM 944 CG LEU A 62 -20.111 -15.492 -51.353 1.00 0.00 C ATOM 945 CD1 LEU A 62 -18.603 -15.421 -51.104 1.00 0.00 C ATOM 946 CD2 LEU A 62 -20.753 -14.156 -50.973 1.00 0.00 C ATOM 0 H LEU A 62 -20.896 -17.029 -54.887 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.650 -17.409 -52.234 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -19.528 -16.320 -53.262 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -20.468 -14.846 -53.384 1.00 0.00 H new ATOM 0 HG LEU A 62 -20.542 -16.289 -50.747 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -18.418 -15.215 -50.050 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -18.144 -16.372 -51.374 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -18.171 -14.625 -51.711 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -20.567 -13.950 -49.919 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -20.322 -13.360 -51.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -21.828 -14.206 -51.149 1.00 0.00 H new ATOM 958 N ASN A 63 -23.227 -14.937 -53.752 1.00 0.00 N ATOM 959 CA ASN A 63 -24.376 -14.045 -53.645 1.00 0.00 C ATOM 960 C ASN A 63 -25.678 -14.826 -53.804 1.00 0.00 C ATOM 961 O ASN A 63 -26.732 -14.395 -53.337 1.00 0.00 O ATOM 962 CB ASN A 63 -24.299 -12.959 -54.718 1.00 0.00 C ATOM 963 CG ASN A 63 -24.692 -13.537 -56.073 1.00 0.00 C ATOM 964 OD1 ASN A 63 -24.289 -14.649 -56.415 1.00 0.00 O ATOM 965 ND2 ASN A 63 -25.461 -12.846 -56.869 1.00 0.00 N ATOM 0 H ASN A 63 -22.745 -14.905 -54.650 1.00 0.00 H new ATOM 0 HA ASN A 63 -24.359 -13.582 -52.658 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -24.962 -12.133 -54.460 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -23.288 -12.554 -54.765 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -25.729 -13.227 -57.776 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.794 -11.925 -56.584 1.00 0.00 H new ATOM 972 N TYR A 64 -25.597 -15.976 -54.468 1.00 0.00 N ATOM 973 CA TYR A 64 -26.775 -16.808 -54.685 1.00 0.00 C ATOM 974 C TYR A 64 -27.172 -17.526 -53.399 1.00 0.00 C ATOM 975 O TYR A 64 -28.356 -17.725 -53.129 1.00 0.00 O ATOM 976 CB TYR A 64 -26.490 -17.838 -55.780 1.00 0.00 C ATOM 977 CG TYR A 64 -27.760 -18.583 -56.114 1.00 0.00 C ATOM 978 CD1 TYR A 64 -28.710 -18.001 -56.963 1.00 0.00 C ATOM 979 CD2 TYR A 64 -27.987 -19.855 -55.577 1.00 0.00 C ATOM 980 CE1 TYR A 64 -29.887 -18.692 -57.274 1.00 0.00 C ATOM 981 CE2 TYR A 64 -29.164 -20.546 -55.888 1.00 0.00 C ATOM 982 CZ TYR A 64 -30.114 -19.965 -56.736 1.00 0.00 C ATOM 983 OH TYR A 64 -31.274 -20.646 -57.043 1.00 0.00 O ATOM 0 H TYR A 64 -24.734 -16.350 -54.862 1.00 0.00 H new ATOM 0 HA TYR A 64 -27.598 -16.165 -54.995 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -26.103 -17.341 -56.669 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -25.723 -18.537 -55.446 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -28.534 -17.019 -57.378 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -27.254 -20.304 -54.923 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -30.620 -18.244 -57.929 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -29.339 -21.528 -55.473 1.00 0.00 H new ATOM 0 HH TYR A 64 -31.274 -21.514 -56.589 1.00 0.00 H new ATOM 993 N LEU A 65 -26.176 -17.915 -52.609 1.00 0.00 N ATOM 994 CA LEU A 65 -26.436 -18.611 -51.355 1.00 0.00 C ATOM 995 C LEU A 65 -26.974 -17.635 -50.306 1.00 0.00 C ATOM 996 O LEU A 65 -26.778 -16.426 -50.422 1.00 0.00 O ATOM 997 CB LEU A 65 -25.146 -19.256 -50.843 1.00 0.00 C ATOM 998 CG LEU A 65 -24.684 -20.331 -51.829 1.00 0.00 C ATOM 999 CD1 LEU A 65 -23.275 -20.795 -51.454 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -25.644 -21.524 -51.773 1.00 0.00 C ATOM 0 H LEU A 65 -25.189 -17.761 -52.813 1.00 0.00 H new ATOM 0 HA LEU A 65 -27.183 -19.385 -51.533 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -24.371 -18.499 -50.725 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.313 -19.697 -49.860 1.00 0.00 H new ATOM 0 HG LEU A 65 -24.676 -19.918 -52.838 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -22.945 -21.561 -52.156 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -22.590 -19.948 -51.493 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -23.284 -21.207 -50.445 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -25.314 -22.289 -52.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -25.653 -21.937 -50.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.649 -21.195 -52.039 1.00 0.00 H new ATOM 1012 N PRO A 66 -27.642 -18.130 -49.292 1.00 0.00 N ATOM 1013 CA PRO A 66 -28.210 -17.269 -48.212 1.00 0.00 C ATOM 1014 C PRO A 66 -27.156 -16.352 -47.596 1.00 0.00 C ATOM 1015 O PRO A 66 -26.012 -16.756 -47.390 1.00 0.00 O ATOM 1016 CB PRO A 66 -28.730 -18.270 -47.176 1.00 0.00 C ATOM 1017 CG PRO A 66 -28.954 -19.539 -47.926 1.00 0.00 C ATOM 1018 CD PRO A 66 -27.933 -19.556 -49.060 1.00 0.00 C ATOM 0 HA PRO A 66 -28.985 -16.602 -48.590 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -28.009 -18.412 -46.371 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -29.654 -17.917 -46.718 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -28.825 -20.403 -47.274 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -29.970 -19.584 -48.318 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -27.035 -20.107 -48.782 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -28.336 -20.033 -49.954 1.00 0.00 H new ATOM 1026 N LEU A 67 -27.551 -15.117 -47.306 1.00 0.00 N ATOM 1027 CA LEU A 67 -26.633 -14.151 -46.715 1.00 0.00 C ATOM 1028 C LEU A 67 -27.397 -12.943 -46.181 1.00 0.00 C ATOM 1029 O LEU A 67 -28.545 -13.113 -45.804 1.00 0.00 O ATOM 1030 CB LEU A 67 -25.614 -13.691 -47.760 1.00 0.00 C ATOM 1031 CG LEU A 67 -24.215 -13.685 -47.142 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -23.166 -13.709 -48.254 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -24.035 -12.419 -46.301 1.00 0.00 C ATOM 0 H LEU A 67 -28.494 -14.763 -47.469 1.00 0.00 H new ATOM 0 HA LEU A 67 -26.112 -14.633 -45.887 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -25.638 -14.355 -48.624 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -25.869 -12.693 -48.118 1.00 0.00 H new ATOM 0 HG LEU A 67 -24.094 -14.564 -46.509 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.169 -13.705 -47.814 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.293 -14.609 -48.855 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -23.287 -12.830 -48.887 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.038 -12.414 -45.860 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.156 -11.541 -46.935 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -24.783 -12.400 -45.508 1.00 0.00 H new TER 1045 LEU A 67