USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 90 THR OG1 : rot 180:sc= 0.225 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 85 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 105 THR OG1 : rot -120:sc= 0.555 USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0.301 USER MOD Set 3.2: A 41 THR OG1 : rot -26:sc= 0.359 USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 15 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.0063) USER MOD Set 5.1: A 5 THR OG1 : rot 28:sc= 0.52 USER MOD Set 5.2: A 10 ASN : amide:sc= 0.298 X(o=0.82,f=1.1) USER MOD Single : A 2 SER OG : rot -59:sc= 0.146 USER MOD Single : A 4 THR OG1 : rot 54:sc= 0.675 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -44:sc= 0.601 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.00053) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.26) USER MOD Single : A 29 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.085) USER MOD Single : A 32 THR OG1 : rot 47:sc= 1 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -23:sc= 0.87 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.065) USER MOD Single : A 42 TYR OH : rot 15:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 44 ASN : amide:sc= 0.23 X(o=0.23,f=0) USER MOD Single : A 45 TYR OH : rot -80:sc= 0.278 USER MOD Single : A 56 TYR OH : rot -48:sc= 0.174 USER MOD Single : A 57 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.6!) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc=-0.00517 (180deg=-0.128) USER MOD Single : A 63 SER OG : rot -22:sc= 0.138 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -60:sc= 0.436 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.589 K(o=-0.59,f=-3.6) USER MOD Single : A 81 THR OG1 : rot -27:sc= 0.766 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.965 K(o=-0.96,f=-2.7) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.7!) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.189 11.338 -5.326 1.00 0.00 N ATOM 16 CA SER A 2 6.440 10.872 -4.734 1.00 0.00 C ATOM 17 C SER A 2 7.457 12.017 -4.672 1.00 0.00 C ATOM 18 O SER A 2 8.529 11.938 -5.269 1.00 0.00 O ATOM 19 CB SER A 2 6.960 9.677 -5.542 1.00 0.00 C ATOM 20 OG SER A 2 8.115 9.129 -4.939 1.00 0.00 O ATOM 0 HA SER A 2 6.272 10.542 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.184 8.915 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.190 9.993 -6.560 1.00 0.00 H new ATOM 0 HG SER A 2 8.813 9.815 -4.886 1.00 0.00 H new ATOM 26 N ALA A 3 7.091 13.081 -3.950 1.00 0.00 N ATOM 27 CA ALA A 3 7.871 14.295 -3.714 1.00 0.00 C ATOM 28 C ALA A 3 8.017 15.143 -4.977 1.00 0.00 C ATOM 29 O ALA A 3 8.086 14.617 -6.088 1.00 0.00 O ATOM 30 CB ALA A 3 9.235 13.986 -3.081 1.00 0.00 C ATOM 0 H ALA A 3 6.183 13.117 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 3 7.308 14.890 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.782 14.916 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.087 13.485 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.806 13.338 -3.746 1.00 0.00 H new ATOM 36 N THR A 4 8.067 16.469 -4.797 1.00 0.00 N ATOM 37 CA THR A 4 8.214 17.423 -5.889 1.00 0.00 C ATOM 38 C THR A 4 8.735 18.747 -5.325 1.00 0.00 C ATOM 39 O THR A 4 8.563 19.016 -4.138 1.00 0.00 O ATOM 40 CB THR A 4 6.893 17.541 -6.674 1.00 0.00 C ATOM 41 OG1 THR A 4 7.138 18.163 -7.915 1.00 0.00 O ATOM 42 CG2 THR A 4 5.793 18.312 -5.939 1.00 0.00 C ATOM 0 H THR A 4 8.005 16.908 -3.878 1.00 0.00 H new ATOM 0 HA THR A 4 8.951 17.080 -6.615 1.00 0.00 H new ATOM 0 HB THR A 4 6.526 16.523 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.852 17.685 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.898 18.349 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.563 17.810 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.135 19.327 -5.734 1.00 0.00 H new ATOM 50 N THR A 5 9.385 19.571 -6.158 1.00 0.00 N ATOM 51 CA THR A 5 9.952 20.840 -5.771 1.00 0.00 C ATOM 52 C THR A 5 9.616 21.856 -6.865 1.00 0.00 C ATOM 53 O THR A 5 9.973 21.666 -8.024 1.00 0.00 O ATOM 54 CB THR A 5 11.457 20.592 -5.577 1.00 0.00 C ATOM 55 OG1 THR A 5 11.723 20.261 -4.230 1.00 0.00 O ATOM 56 CG2 THR A 5 12.305 21.770 -6.030 1.00 0.00 C ATOM 0 H THR A 5 9.527 19.354 -7.144 1.00 0.00 H new ATOM 0 HA THR A 5 9.555 21.249 -4.842 1.00 0.00 H new ATOM 0 HB THR A 5 11.736 19.751 -6.212 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.934 19.833 -3.836 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.359 21.542 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.130 21.958 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.035 22.656 -5.455 1.00 0.00 H new ATOM 64 N CYS A 6 8.919 22.934 -6.498 1.00 0.00 N ATOM 65 CA CYS A 6 8.501 23.991 -7.408 1.00 0.00 C ATOM 66 C CYS A 6 9.428 25.182 -7.192 1.00 0.00 C ATOM 67 O CYS A 6 9.168 26.037 -6.347 1.00 0.00 O ATOM 68 CB CYS A 6 7.033 24.324 -7.136 1.00 0.00 C ATOM 69 SG CYS A 6 5.808 23.326 -8.043 1.00 0.00 S ATOM 0 H CYS A 6 8.625 23.095 -5.535 1.00 0.00 H new ATOM 0 HA CYS A 6 8.572 23.689 -8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.847 24.210 -6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.868 25.374 -7.378 1.00 0.00 H new ATOM 74 N GLY A 7 10.517 25.213 -7.970 1.00 0.00 N ATOM 75 CA GLY A 7 11.530 26.252 -7.908 1.00 0.00 C ATOM 76 C GLY A 7 12.284 26.148 -6.586 1.00 0.00 C ATOM 77 O GLY A 7 13.081 25.230 -6.395 1.00 0.00 O ATOM 0 H GLY A 7 10.714 24.499 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.223 26.150 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.065 27.234 -7.998 1.00 0.00 H new ATOM 81 N SER A 8 12.014 27.092 -5.678 1.00 0.00 N ATOM 82 CA SER A 8 12.614 27.159 -4.356 1.00 0.00 C ATOM 83 C SER A 8 11.749 26.441 -3.320 1.00 0.00 C ATOM 84 O SER A 8 12.287 25.854 -2.382 1.00 0.00 O ATOM 85 CB SER A 8 12.800 28.630 -3.967 1.00 0.00 C ATOM 86 OG SER A 8 13.751 29.234 -4.818 1.00 0.00 O ATOM 0 H SER A 8 11.353 27.848 -5.855 1.00 0.00 H new ATOM 0 HA SER A 8 13.582 26.658 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.849 29.157 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.128 28.703 -2.930 1.00 0.00 H new ATOM 0 HG SER A 8 13.865 30.174 -4.566 1.00 0.00 H new ATOM 92 N THR A 9 10.419 26.474 -3.487 1.00 0.00 N ATOM 93 CA THR A 9 9.481 25.856 -2.562 1.00 0.00 C ATOM 94 C THR A 9 9.491 24.332 -2.734 1.00 0.00 C ATOM 95 O THR A 9 8.907 23.804 -3.679 1.00 0.00 O ATOM 96 CB THR A 9 8.087 26.473 -2.755 1.00 0.00 C ATOM 97 OG1 THR A 9 8.185 27.877 -2.888 1.00 0.00 O ATOM 98 CG2 THR A 9 7.220 26.166 -1.532 1.00 0.00 C ATOM 0 H THR A 9 9.969 26.936 -4.277 1.00 0.00 H new ATOM 0 HA THR A 9 9.783 26.053 -1.533 1.00 0.00 H new ATOM 0 HB THR A 9 7.643 26.049 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.290 28.257 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.231 26.603 -1.668 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.126 25.086 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.684 26.589 -0.641 1.00 0.00 H new ATOM 106 N ASN A 10 10.154 23.635 -1.801 1.00 0.00 N ATOM 107 CA ASN A 10 10.304 22.185 -1.791 1.00 0.00 C ATOM 108 C ASN A 10 9.140 21.501 -1.070 1.00 0.00 C ATOM 109 O ASN A 10 8.542 22.100 -0.177 1.00 0.00 O ATOM 110 CB ASN A 10 11.628 21.823 -1.104 1.00 0.00 C ATOM 111 CG ASN A 10 12.811 22.640 -1.624 1.00 0.00 C ATOM 112 OD1 ASN A 10 13.442 23.369 -0.863 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.114 22.524 -2.919 1.00 0.00 N ATOM 0 H ASN A 10 10.613 24.086 -1.010 1.00 0.00 H new ATOM 0 HA ASN A 10 10.305 21.832 -2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.529 21.980 -0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.831 20.763 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.895 23.052 -3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.565 21.907 -3.518 1.00 0.00 H new ATOM 120 N TYR A 11 8.825 20.251 -1.455 1.00 0.00 N ATOM 121 CA TYR A 11 7.752 19.467 -0.848 1.00 0.00 C ATOM 122 C TYR A 11 8.111 17.988 -0.726 1.00 0.00 C ATOM 123 O TYR A 11 8.609 17.377 -1.672 1.00 0.00 O ATOM 124 CB TYR A 11 6.457 19.546 -1.665 1.00 0.00 C ATOM 125 CG TYR A 11 6.081 20.928 -2.133 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.685 21.905 -1.206 1.00 0.00 C ATOM 127 CD2 TYR A 11 6.124 21.229 -3.501 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.353 23.193 -1.652 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.789 22.511 -3.948 1.00 0.00 C ATOM 130 CZ TYR A 11 5.414 23.497 -3.022 1.00 0.00 C ATOM 131 OH TYR A 11 5.108 24.746 -3.459 1.00 0.00 O ATOM 0 H TYR A 11 9.316 19.760 -2.202 1.00 0.00 H new ATOM 0 HA TYR A 11 7.610 19.901 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.555 18.898 -2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.640 19.148 -1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.636 21.666 -0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.416 20.470 -4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.051 23.950 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.819 22.742 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 11 4.303 25.065 -3.001 1.00 0.00 H new ATOM 141 N SER A 12 7.829 17.434 0.456 1.00 0.00 N ATOM 142 CA SER A 12 8.031 16.037 0.796 1.00 0.00 C ATOM 143 C SER A 12 6.911 15.248 0.157 1.00 0.00 C ATOM 144 O SER A 12 5.843 15.799 -0.110 1.00 0.00 O ATOM 145 CB SER A 12 8.009 15.872 2.318 1.00 0.00 C ATOM 146 OG SER A 12 9.016 16.667 2.906 1.00 0.00 O ATOM 0 H SER A 12 7.438 17.974 1.228 1.00 0.00 H new ATOM 0 HA SER A 12 8.994 15.679 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.033 16.160 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.162 14.825 2.580 1.00 0.00 H new ATOM 0 HG SER A 12 8.993 16.556 3.879 1.00 0.00 H new ATOM 152 N ALA A 13 7.159 13.957 -0.100 1.00 0.00 N ATOM 153 CA ALA A 13 6.139 13.082 -0.655 1.00 0.00 C ATOM 154 C ALA A 13 4.933 13.083 0.289 1.00 0.00 C ATOM 155 O ALA A 13 3.842 12.687 -0.109 1.00 0.00 O ATOM 156 CB ALA A 13 6.697 11.666 -0.817 1.00 0.00 C ATOM 0 H ALA A 13 8.057 13.504 0.070 1.00 0.00 H new ATOM 0 HA ALA A 13 5.832 13.438 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.927 11.017 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.555 11.688 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.007 11.284 0.155 1.00 0.00 H new ATOM 162 N SER A 14 5.142 13.543 1.534 1.00 0.00 N ATOM 163 CA SER A 14 4.107 13.632 2.548 1.00 0.00 C ATOM 164 C SER A 14 3.126 14.752 2.184 1.00 0.00 C ATOM 165 O SER A 14 1.918 14.559 2.297 1.00 0.00 O ATOM 166 CB SER A 14 4.746 13.883 3.917 1.00 0.00 C ATOM 167 OG SER A 14 5.553 12.786 4.292 1.00 0.00 O ATOM 0 H SER A 14 6.054 13.866 1.858 1.00 0.00 H new ATOM 0 HA SER A 14 3.555 12.693 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.348 14.791 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.969 14.043 4.664 1.00 0.00 H new ATOM 0 HG SER A 14 5.956 12.961 5.168 1.00 0.00 H new ATOM 173 N GLN A 15 3.637 15.910 1.738 1.00 0.00 N ATOM 174 CA GLN A 15 2.830 17.068 1.370 1.00 0.00 C ATOM 175 C GLN A 15 2.049 16.867 0.078 1.00 0.00 C ATOM 176 O GLN A 15 0.856 17.161 0.037 1.00 0.00 O ATOM 177 CB GLN A 15 3.682 18.342 1.282 1.00 0.00 C ATOM 178 CG GLN A 15 3.902 18.983 2.656 1.00 0.00 C ATOM 179 CD GLN A 15 4.986 18.282 3.467 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.690 17.399 4.269 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.244 18.682 3.265 1.00 0.00 N ATOM 0 H GLN A 15 4.639 16.063 1.624 1.00 0.00 H new ATOM 0 HA GLN A 15 2.100 17.186 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.647 18.102 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.194 19.059 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.173 20.030 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.966 18.964 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.442 19.419 2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.006 18.250 3.787 1.00 0.00 H new ATOM 190 N VAL A 16 2.714 16.369 -0.965 1.00 0.00 N ATOM 191 CA VAL A 16 2.100 16.144 -2.266 1.00 0.00 C ATOM 192 C VAL A 16 0.942 15.152 -2.099 1.00 0.00 C ATOM 193 O VAL A 16 -0.151 15.377 -2.616 1.00 0.00 O ATOM 194 CB VAL A 16 3.124 15.617 -3.279 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.554 15.732 -4.692 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.446 16.389 -3.256 1.00 0.00 C ATOM 0 H VAL A 16 3.700 16.110 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 16 1.721 17.090 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 16 3.323 14.582 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.283 15.357 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.639 15.145 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.333 16.777 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.127 15.967 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.260 17.437 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.894 16.314 -2.265 1.00 0.00 H new ATOM 206 N ARG A 17 1.198 14.063 -1.360 1.00 0.00 N ATOM 207 CA ARG A 17 0.245 12.996 -1.094 1.00 0.00 C ATOM 208 C ARG A 17 -0.900 13.465 -0.200 1.00 0.00 C ATOM 209 O ARG A 17 -2.041 13.085 -0.446 1.00 0.00 O ATOM 210 CB ARG A 17 0.984 11.809 -0.468 1.00 0.00 C ATOM 211 CG ARG A 17 0.103 10.564 -0.325 1.00 0.00 C ATOM 212 CD ARG A 17 0.929 9.436 0.301 1.00 0.00 C ATOM 213 NE ARG A 17 0.174 8.178 0.347 1.00 0.00 N ATOM 214 CZ ARG A 17 0.038 7.318 -0.677 1.00 0.00 C ATOM 215 NH1 ARG A 17 0.574 7.573 -1.881 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.650 6.182 -0.492 1.00 0.00 N ATOM 0 H ARG A 17 2.105 13.903 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.205 12.687 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.852 11.565 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.358 12.098 0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.764 10.786 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.275 10.257 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.844 9.292 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.228 9.719 1.310 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.284 7.937 1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.098 8.435 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.457 6.905 -2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.063 5.978 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.760 5.521 -1.261 1.00 0.00 H new ATOM 230 N ALA A 18 -0.618 14.272 0.834 1.00 0.00 N ATOM 231 CA ALA A 18 -1.651 14.776 1.732 1.00 0.00 C ATOM 232 C ALA A 18 -2.617 15.675 0.965 1.00 0.00 C ATOM 233 O ALA A 18 -3.833 15.502 1.046 1.00 0.00 O ATOM 234 CB ALA A 18 -1.012 15.530 2.901 1.00 0.00 C ATOM 0 H ALA A 18 0.324 14.587 1.064 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.214 13.935 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.793 15.902 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.356 14.857 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.431 16.369 2.519 1.00 0.00 H new ATOM 240 N ALA A 19 -2.060 16.628 0.210 1.00 0.00 N ATOM 241 CA ALA A 19 -2.817 17.579 -0.580 1.00 0.00 C ATOM 242 C ALA A 19 -3.625 16.884 -1.671 1.00 0.00 C ATOM 243 O ALA A 19 -4.725 17.329 -1.984 1.00 0.00 O ATOM 244 CB ALA A 19 -1.867 18.610 -1.181 1.00 0.00 C ATOM 0 H ALA A 19 -1.051 16.754 0.136 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.529 18.083 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.435 19.326 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.347 19.136 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.139 18.107 -1.818 1.00 0.00 H new ATOM 250 N ALA A 20 -3.087 15.804 -2.254 1.00 0.00 N ATOM 251 CA ALA A 20 -3.781 15.057 -3.291 1.00 0.00 C ATOM 252 C ALA A 20 -4.893 14.200 -2.715 1.00 0.00 C ATOM 253 O ALA A 20 -5.965 14.113 -3.311 1.00 0.00 O ATOM 254 CB ALA A 20 -2.798 14.251 -4.141 1.00 0.00 C ATOM 0 H ALA A 20 -2.167 15.433 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.261 15.774 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.345 13.703 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.088 14.928 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.260 13.547 -3.506 1.00 0.00 H new ATOM 260 N ASN A 21 -4.643 13.561 -1.569 1.00 0.00 N ATOM 261 CA ASN A 21 -5.645 12.759 -0.896 1.00 0.00 C ATOM 262 C ASN A 21 -6.767 13.701 -0.435 1.00 0.00 C ATOM 263 O ASN A 21 -7.899 13.255 -0.235 1.00 0.00 O ATOM 264 CB ASN A 21 -5.008 12.033 0.296 1.00 0.00 C ATOM 265 CG ASN A 21 -6.023 11.172 1.048 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.744 10.385 0.439 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.086 11.324 2.374 1.00 0.00 N ATOM 0 H ASN A 21 -3.742 13.590 -1.091 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.055 12.002 -1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.190 11.405 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.577 12.765 0.979 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.751 10.775 2.919 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.469 11.989 2.841 1.00 0.00 H new ATOM 274 N ALA A 22 -6.458 15.005 -0.293 1.00 0.00 N ATOM 275 CA ALA A 22 -7.435 15.979 0.163 1.00 0.00 C ATOM 276 C ALA A 22 -8.283 16.292 -1.054 1.00 0.00 C ATOM 277 O ALA A 22 -9.479 16.028 -1.034 1.00 0.00 O ATOM 278 CB ALA A 22 -6.778 17.225 0.764 1.00 0.00 C ATOM 0 H ALA A 22 -5.537 15.395 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.044 15.586 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.550 17.922 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.165 16.937 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.150 17.704 0.012 1.00 0.00 H new ATOM 284 N ALA A 23 -7.647 16.836 -2.101 1.00 0.00 N ATOM 285 CA ALA A 23 -8.269 17.179 -3.373 1.00 0.00 C ATOM 286 C ALA A 23 -9.230 16.071 -3.816 1.00 0.00 C ATOM 287 O ALA A 23 -10.361 16.360 -4.189 1.00 0.00 O ATOM 288 CB ALA A 23 -7.173 17.396 -4.421 1.00 0.00 C ATOM 0 H ALA A 23 -6.651 17.054 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.847 18.096 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.629 17.653 -5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.519 18.207 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.590 16.482 -4.532 1.00 0.00 H new ATOM 294 N CYS A 24 -8.773 14.812 -3.756 1.00 0.00 N ATOM 295 CA CYS A 24 -9.522 13.617 -4.116 1.00 0.00 C ATOM 296 C CYS A 24 -10.815 13.467 -3.313 1.00 0.00 C ATOM 297 O CYS A 24 -11.896 13.568 -3.891 1.00 0.00 O ATOM 298 CB CYS A 24 -8.623 12.380 -3.959 1.00 0.00 C ATOM 299 SG CYS A 24 -9.493 10.781 -3.930 1.00 0.00 S ATOM 0 H CYS A 24 -7.827 14.598 -3.440 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.825 13.715 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.904 12.368 -4.778 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.053 12.481 -3.035 1.00 0.00 H new ATOM 304 N GLN A 25 -10.710 13.240 -1.996 1.00 0.00 N ATOM 305 CA GLN A 25 -11.866 13.040 -1.125 1.00 0.00 C ATOM 306 C GLN A 25 -12.805 14.255 -1.060 1.00 0.00 C ATOM 307 O GLN A 25 -13.988 14.115 -0.751 1.00 0.00 O ATOM 308 CB GLN A 25 -11.366 12.636 0.271 1.00 0.00 C ATOM 309 CG GLN A 25 -12.475 12.027 1.143 1.00 0.00 C ATOM 310 CD GLN A 25 -12.688 12.815 2.433 1.00 0.00 C ATOM 311 OE1 GLN A 25 -13.505 13.733 2.473 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.958 12.452 3.492 1.00 0.00 N ATOM 0 H GLN A 25 -9.816 13.191 -1.508 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.473 12.241 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.554 11.916 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.954 13.512 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.406 11.999 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.219 10.996 1.386 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.292 11.684 3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.067 12.943 4.379 1.00 0.00 H new ATOM 321 N TYR A 26 -12.275 15.442 -1.364 1.00 0.00 N ATOM 322 CA TYR A 26 -12.958 16.729 -1.341 1.00 0.00 C ATOM 323 C TYR A 26 -13.519 17.147 -2.709 1.00 0.00 C ATOM 324 O TYR A 26 -14.025 18.259 -2.834 1.00 0.00 O ATOM 325 CB TYR A 26 -11.892 17.728 -0.894 1.00 0.00 C ATOM 326 CG TYR A 26 -12.351 19.047 -0.309 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.055 19.062 0.909 1.00 0.00 C ATOM 328 CD2 TYR A 26 -12.064 20.258 -0.963 1.00 0.00 C ATOM 329 CE1 TYR A 26 -13.476 20.282 1.466 1.00 0.00 C ATOM 330 CE2 TYR A 26 -12.483 21.478 -0.406 1.00 0.00 C ATOM 331 CZ TYR A 26 -13.197 21.491 0.804 1.00 0.00 C ATOM 332 OH TYR A 26 -13.613 22.676 1.338 1.00 0.00 O ATOM 0 H TYR A 26 -11.300 15.531 -1.649 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.823 16.683 -0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.263 17.235 -0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -11.259 17.947 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.272 18.134 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.520 20.250 -1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.014 20.291 2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.256 22.407 -0.908 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.337 23.413 0.754 1.00 0.00 H new ATOM 342 N TYR A 27 -13.424 16.280 -3.726 1.00 0.00 N ATOM 343 CA TYR A 27 -13.893 16.524 -5.092 1.00 0.00 C ATOM 344 C TYR A 27 -14.436 15.237 -5.713 1.00 0.00 C ATOM 345 O TYR A 27 -14.033 14.847 -6.809 1.00 0.00 O ATOM 346 CB TYR A 27 -12.733 17.078 -5.926 1.00 0.00 C ATOM 347 CG TYR A 27 -13.078 17.551 -7.329 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.911 18.668 -7.509 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.565 16.876 -8.454 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.218 19.125 -8.802 1.00 0.00 C ATOM 351 CE2 TYR A 27 -12.876 17.332 -9.748 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.694 18.462 -9.924 1.00 0.00 C ATOM 353 OH TYR A 27 -13.984 18.910 -11.182 1.00 0.00 O ATOM 0 H TYR A 27 -13.003 15.358 -3.614 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.705 17.251 -5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.289 17.912 -5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.968 16.305 -6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.318 19.178 -6.649 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.934 16.010 -8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.857 19.986 -8.933 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.485 16.812 -10.610 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.541 18.338 -11.843 1.00 0.00 H new ATOM 363 N GLN A 28 -15.350 14.564 -5.010 1.00 0.00 N ATOM 364 CA GLN A 28 -15.952 13.331 -5.490 1.00 0.00 C ATOM 365 C GLN A 28 -17.277 13.628 -6.186 1.00 0.00 C ATOM 366 O GLN A 28 -17.324 13.636 -7.413 1.00 0.00 O ATOM 367 CB GLN A 28 -16.056 12.336 -4.332 1.00 0.00 C ATOM 368 CG GLN A 28 -14.654 12.137 -3.743 1.00 0.00 C ATOM 369 CD GLN A 28 -14.642 11.058 -2.663 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.056 9.995 -2.852 1.00 0.00 O ATOM 371 NE2 GLN A 28 -15.283 11.338 -1.524 1.00 0.00 N ATOM 0 H GLN A 28 -15.689 14.862 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.325 12.860 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.739 12.710 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.459 11.386 -4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.961 11.863 -4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.300 13.078 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.756 12.235 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.299 10.655 -0.767 1.00 0.00 H new ATOM 380 N ASN A 29 -18.332 13.884 -5.403 1.00 0.00 N ATOM 381 CA ASN A 29 -19.690 14.169 -5.867 1.00 0.00 C ATOM 382 C ASN A 29 -20.636 14.147 -4.667 1.00 0.00 C ATOM 383 O ASN A 29 -21.210 15.173 -4.308 1.00 0.00 O ATOM 384 CB ASN A 29 -20.177 13.167 -6.940 1.00 0.00 C ATOM 385 CG ASN A 29 -20.252 13.783 -8.337 1.00 0.00 C ATOM 386 OD1 ASN A 29 -19.516 13.388 -9.237 1.00 0.00 O ATOM 387 ND2 ASN A 29 -21.157 14.750 -8.519 1.00 0.00 N ATOM 0 H ASN A 29 -18.257 13.898 -4.386 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.683 15.153 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.504 12.310 -6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -21.162 12.792 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.256 15.190 -9.434 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.748 15.048 -7.743 1.00 0.00 H new ATOM 394 N ASP A 30 -20.786 12.963 -4.058 1.00 0.00 N ATOM 395 CA ASP A 30 -21.638 12.716 -2.907 1.00 0.00 C ATOM 396 C ASP A 30 -20.774 12.955 -1.674 1.00 0.00 C ATOM 397 O ASP A 30 -20.418 12.023 -0.955 1.00 0.00 O ATOM 398 CB ASP A 30 -22.220 11.298 -2.989 1.00 0.00 C ATOM 399 CG ASP A 30 -23.202 11.018 -1.852 1.00 0.00 C ATOM 400 OD1 ASP A 30 -24.318 11.578 -1.911 1.00 0.00 O ATOM 401 OD2 ASP A 30 -22.824 10.245 -0.944 1.00 0.00 O ATOM 0 H ASP A 30 -20.295 12.126 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 30 -22.500 13.381 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.726 11.168 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.409 10.570 -2.956 1.00 0.00 H new ATOM 406 N ASP A 31 -20.459 14.242 -1.491 1.00 0.00 N ATOM 407 CA ASP A 31 -19.653 14.894 -0.465 1.00 0.00 C ATOM 408 C ASP A 31 -18.387 15.397 -1.154 1.00 0.00 C ATOM 409 O ASP A 31 -17.596 14.603 -1.663 1.00 0.00 O ATOM 410 CB ASP A 31 -19.336 14.033 0.768 1.00 0.00 C ATOM 411 CG ASP A 31 -20.587 13.603 1.539 1.00 0.00 C ATOM 412 OD1 ASP A 31 -21.508 14.440 1.660 1.00 0.00 O ATOM 413 OD2 ASP A 31 -20.598 12.441 2.000 1.00 0.00 O ATOM 0 H ASP A 31 -20.813 14.937 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.235 15.711 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.788 13.145 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.680 14.592 1.435 1.00 0.00 H new ATOM 418 N THR A 32 -18.216 16.723 -1.169 1.00 0.00 N ATOM 419 CA THR A 32 -17.095 17.400 -1.795 1.00 0.00 C ATOM 420 C THR A 32 -16.734 18.658 -1.001 1.00 0.00 C ATOM 421 O THR A 32 -15.639 18.725 -0.449 1.00 0.00 O ATOM 422 CB THR A 32 -17.366 17.649 -3.296 1.00 0.00 C ATOM 423 OG1 THR A 32 -16.632 18.754 -3.780 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.839 17.866 -3.636 1.00 0.00 C ATOM 0 H THR A 32 -18.877 17.365 -0.732 1.00 0.00 H new ATOM 0 HA THR A 32 -16.213 16.760 -1.769 1.00 0.00 H new ATOM 0 HB THR A 32 -17.042 16.730 -3.784 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.700 18.683 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.944 18.034 -4.708 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.412 16.985 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.213 18.735 -3.094 1.00 0.00 H new ATOM 432 N ALA A 33 -17.645 19.640 -0.933 1.00 0.00 N ATOM 433 CA ALA A 33 -17.471 20.916 -0.237 1.00 0.00 C ATOM 434 C ALA A 33 -16.396 21.796 -0.887 1.00 0.00 C ATOM 435 O ALA A 33 -15.577 21.319 -1.673 1.00 0.00 O ATOM 436 CB ALA A 33 -17.238 20.712 1.266 1.00 0.00 C ATOM 0 H ALA A 33 -18.558 19.560 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.407 21.465 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.113 21.681 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.095 20.197 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.340 20.113 1.417 1.00 0.00 H new ATOM 442 N GLY A 34 -16.403 23.093 -0.548 1.00 0.00 N ATOM 443 CA GLY A 34 -15.474 24.075 -1.088 1.00 0.00 C ATOM 444 C GLY A 34 -15.933 24.429 -2.500 1.00 0.00 C ATOM 445 O GLY A 34 -15.782 23.618 -3.411 1.00 0.00 O ATOM 0 H GLY A 34 -17.067 23.487 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.452 24.965 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.461 23.673 -1.106 1.00 0.00 H new ATOM 449 N SER A 35 -16.501 25.628 -2.688 1.00 0.00 N ATOM 450 CA SER A 35 -16.997 26.056 -3.990 1.00 0.00 C ATOM 451 C SER A 35 -16.670 27.520 -4.278 1.00 0.00 C ATOM 452 O SER A 35 -17.574 28.316 -4.530 1.00 0.00 O ATOM 453 CB SER A 35 -18.501 25.764 -4.082 1.00 0.00 C ATOM 454 OG SER A 35 -18.744 24.384 -3.908 1.00 0.00 O ATOM 0 H SER A 35 -16.626 26.317 -1.947 1.00 0.00 H new ATOM 0 HA SER A 35 -16.485 25.485 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.036 26.333 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.883 26.088 -5.050 1.00 0.00 H new ATOM 0 HG SER A 35 -19.707 24.211 -3.967 1.00 0.00 H new ATOM 460 N SER A 36 -15.378 27.872 -4.240 1.00 0.00 N ATOM 461 CA SER A 36 -14.902 29.212 -4.533 1.00 0.00 C ATOM 462 C SER A 36 -14.400 29.118 -5.973 1.00 0.00 C ATOM 463 O SER A 36 -15.069 29.578 -6.896 1.00 0.00 O ATOM 464 CB SER A 36 -13.825 29.624 -3.522 1.00 0.00 C ATOM 465 OG SER A 36 -14.401 29.726 -2.237 1.00 0.00 O ATOM 0 H SER A 36 -14.632 27.219 -4.001 1.00 0.00 H new ATOM 0 HA SER A 36 -15.663 29.987 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.019 28.890 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.385 30.578 -3.812 1.00 0.00 H new ATOM 0 HG SER A 36 -13.713 29.988 -1.590 1.00 0.00 H new ATOM 471 N THR A 37 -13.222 28.508 -6.145 1.00 0.00 N ATOM 472 CA THR A 37 -12.572 28.262 -7.424 1.00 0.00 C ATOM 473 C THR A 37 -11.523 27.138 -7.271 1.00 0.00 C ATOM 474 O THR A 37 -10.548 27.087 -8.016 1.00 0.00 O ATOM 475 CB THR A 37 -12.120 29.581 -8.087 1.00 0.00 C ATOM 476 OG1 THR A 37 -11.359 29.345 -9.255 1.00 0.00 O ATOM 477 CG2 THR A 37 -11.361 30.518 -7.146 1.00 0.00 C ATOM 0 H THR A 37 -12.676 28.159 -5.357 1.00 0.00 H new ATOM 0 HA THR A 37 -13.275 27.866 -8.157 1.00 0.00 H new ATOM 0 HB THR A 37 -13.044 30.090 -8.359 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.967 28.448 -9.214 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.077 31.422 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.999 30.783 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.465 30.018 -6.779 1.00 0.00 H new ATOM 485 N TYR A 38 -11.733 26.240 -6.287 1.00 0.00 N ATOM 486 CA TYR A 38 -10.928 25.067 -5.942 1.00 0.00 C ATOM 487 C TYR A 38 -11.724 24.272 -4.895 1.00 0.00 C ATOM 488 O TYR A 38 -12.174 24.870 -3.918 1.00 0.00 O ATOM 489 CB TYR A 38 -9.529 25.350 -5.343 1.00 0.00 C ATOM 490 CG TYR A 38 -8.838 26.652 -5.681 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.268 27.822 -5.038 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.775 26.708 -6.607 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.647 29.045 -5.313 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.160 27.937 -6.894 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.601 29.109 -6.248 1.00 0.00 C ATOM 496 OH TYR A 38 -7.015 30.309 -6.521 1.00 0.00 O ATOM 0 H TYR A 38 -12.538 26.331 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.743 24.542 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.618 25.297 -4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.869 24.538 -5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.081 27.779 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.435 25.806 -7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.972 29.941 -4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.351 27.984 -7.608 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.059 30.882 -5.728 1.00 0.00 H new ATOM 506 N PRO A 39 -11.924 22.955 -5.060 1.00 0.00 N ATOM 507 CA PRO A 39 -11.501 22.146 -6.186 1.00 0.00 C ATOM 508 C PRO A 39 -12.475 22.378 -7.337 1.00 0.00 C ATOM 509 O PRO A 39 -13.689 22.345 -7.136 1.00 0.00 O ATOM 510 CB PRO A 39 -11.549 20.706 -5.684 1.00 0.00 C ATOM 511 CG PRO A 39 -12.688 20.729 -4.668 1.00 0.00 C ATOM 512 CD PRO A 39 -12.644 22.144 -4.098 1.00 0.00 C ATOM 0 HA PRO A 39 -10.503 22.388 -6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.746 20.004 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.606 20.408 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.648 20.518 -5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.544 19.980 -3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.651 22.530 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.144 22.156 -3.129 1.00 0.00 H new ATOM 520 N HIS A 40 -11.944 22.623 -8.539 1.00 0.00 N ATOM 521 CA HIS A 40 -12.752 22.876 -9.723 1.00 0.00 C ATOM 522 C HIS A 40 -12.077 22.270 -10.946 1.00 0.00 C ATOM 523 O HIS A 40 -10.869 22.044 -10.945 1.00 0.00 O ATOM 524 CB HIS A 40 -12.979 24.383 -9.908 1.00 0.00 C ATOM 525 CG HIS A 40 -11.790 25.129 -10.461 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.906 26.045 -11.496 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.451 25.102 -10.152 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.673 26.513 -11.755 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.739 25.974 -10.968 1.00 0.00 N ATOM 0 H HIS A 40 -10.939 22.650 -8.712 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.727 22.406 -9.597 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.828 24.531 -10.575 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.250 24.818 -8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.012 24.487 -9.380 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.460 27.247 -12.518 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.736 26.159 -10.966 1.00 0.00 H new ATOM 537 N THR A 41 -12.876 22.021 -11.988 1.00 0.00 N ATOM 538 CA THR A 41 -12.469 21.467 -13.251 1.00 0.00 C ATOM 539 C THR A 41 -11.353 22.310 -13.874 1.00 0.00 C ATOM 540 O THR A 41 -11.466 23.534 -13.947 1.00 0.00 O ATOM 541 CB THR A 41 -13.729 21.449 -14.120 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.796 20.842 -13.414 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.486 20.658 -15.389 1.00 0.00 C ATOM 0 H THR A 41 -13.876 22.217 -11.955 1.00 0.00 H new ATOM 0 HA THR A 41 -12.059 20.463 -13.146 1.00 0.00 H new ATOM 0 HB THR A 41 -13.981 22.479 -14.371 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.436 20.220 -12.748 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.392 20.655 -15.995 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.673 21.116 -15.953 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.218 19.633 -15.133 1.00 0.00 H new ATOM 551 N TYR A 42 -10.277 21.647 -14.312 1.00 0.00 N ATOM 552 CA TYR A 42 -9.133 22.285 -14.941 1.00 0.00 C ATOM 553 C TYR A 42 -9.484 22.570 -16.402 1.00 0.00 C ATOM 554 O TYR A 42 -9.810 21.647 -17.147 1.00 0.00 O ATOM 555 CB TYR A 42 -7.917 21.358 -14.812 1.00 0.00 C ATOM 556 CG TYR A 42 -6.569 21.963 -15.163 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.122 23.119 -14.496 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.751 21.368 -16.142 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.869 23.677 -14.806 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.504 21.932 -16.463 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.059 23.084 -15.790 1.00 0.00 C ATOM 562 OH TYR A 42 -2.844 23.624 -16.095 1.00 0.00 O ATOM 0 H TYR A 42 -10.183 20.634 -14.234 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.886 23.230 -14.458 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.872 20.994 -13.786 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.079 20.490 -15.451 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.744 23.580 -13.743 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.083 20.474 -16.649 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.529 24.561 -14.288 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.888 21.481 -17.226 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.583 24.258 -15.395 1.00 0.00 H new ATOM 572 N ASN A 43 -9.427 23.847 -16.802 1.00 0.00 N ATOM 573 CA ASN A 43 -9.746 24.300 -18.152 1.00 0.00 C ATOM 574 C ASN A 43 -8.870 25.495 -18.538 1.00 0.00 C ATOM 575 O ASN A 43 -8.070 25.966 -17.730 1.00 0.00 O ATOM 576 CB ASN A 43 -11.246 24.617 -18.245 1.00 0.00 C ATOM 577 CG ASN A 43 -11.658 25.765 -17.325 1.00 0.00 C ATOM 578 OD1 ASN A 43 -11.971 25.543 -16.157 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.670 26.993 -17.851 1.00 0.00 N ATOM 0 H ASN A 43 -9.151 24.606 -16.179 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.528 23.508 -18.869 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.497 24.872 -19.274 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.819 23.726 -17.988 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.946 27.790 -17.278 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.403 27.133 -18.825 1.00 0.00 H new ATOM 586 N ASN A 44 -9.035 25.981 -19.779 1.00 0.00 N ATOM 587 CA ASN A 44 -8.289 27.095 -20.353 1.00 0.00 C ATOM 588 C ASN A 44 -6.801 26.745 -20.335 1.00 0.00 C ATOM 589 O ASN A 44 -6.032 27.273 -19.533 1.00 0.00 O ATOM 590 CB ASN A 44 -8.638 28.418 -19.651 1.00 0.00 C ATOM 591 CG ASN A 44 -8.118 29.631 -20.424 1.00 0.00 C ATOM 592 OD1 ASN A 44 -8.876 30.280 -21.142 1.00 0.00 O ATOM 593 ND2 ASN A 44 -6.829 29.946 -20.279 1.00 0.00 N ATOM 0 H ASN A 44 -9.718 25.590 -20.427 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.573 27.255 -21.393 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.720 28.495 -19.540 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.214 28.419 -18.647 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.442 30.750 -20.773 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.231 29.383 -19.674 1.00 0.00 H new ATOM 600 N TYR A 45 -6.413 25.832 -21.232 1.00 0.00 N ATOM 601 CA TYR A 45 -5.050 25.344 -21.359 1.00 0.00 C ATOM 602 C TYR A 45 -4.202 26.309 -22.183 1.00 0.00 C ATOM 603 O TYR A 45 -4.148 26.207 -23.409 1.00 0.00 O ATOM 604 CB TYR A 45 -5.065 23.934 -21.968 1.00 0.00 C ATOM 605 CG TYR A 45 -5.927 22.898 -21.259 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.233 23.005 -19.887 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.424 21.805 -21.996 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.043 22.040 -19.268 1.00 0.00 C ATOM 609 CE2 TYR A 45 -7.233 20.839 -21.373 1.00 0.00 C ATOM 610 CZ TYR A 45 -7.547 20.958 -20.009 1.00 0.00 C ATOM 611 OH TYR A 45 -8.343 20.031 -19.404 1.00 0.00 O ATOM 0 H TYR A 45 -7.057 25.408 -21.900 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.594 25.286 -20.371 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.405 24.012 -23.001 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.040 23.564 -21.997 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.843 23.831 -19.311 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.182 21.709 -23.044 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.280 22.130 -18.218 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.613 20.005 -21.943 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.786 19.400 -18.902 1.00 0.00 H new ATOM 621 N GLU A 46 -3.549 27.256 -21.497 1.00 0.00 N ATOM 622 CA GLU A 46 -2.670 28.241 -22.112 1.00 0.00 C ATOM 623 C GLU A 46 -1.515 27.483 -22.771 1.00 0.00 C ATOM 624 O GLU A 46 -1.214 27.699 -23.944 1.00 0.00 O ATOM 625 CB GLU A 46 -2.198 29.231 -21.034 1.00 0.00 C ATOM 626 CG GLU A 46 -1.318 30.370 -21.573 1.00 0.00 C ATOM 627 CD GLU A 46 0.102 29.921 -21.914 1.00 0.00 C ATOM 628 OE1 GLU A 46 0.782 29.422 -20.991 1.00 0.00 O ATOM 629 OE2 GLU A 46 0.486 30.084 -23.093 1.00 0.00 O ATOM 0 H GLU A 46 -3.622 27.355 -20.484 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.177 28.826 -22.879 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.071 29.661 -20.543 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.641 28.685 -20.273 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.784 30.790 -22.465 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.272 31.168 -20.831 1.00 0.00 H new ATOM 636 N GLY A 47 -0.884 26.586 -22.004 1.00 0.00 N ATOM 637 CA GLY A 47 0.217 25.756 -22.455 1.00 0.00 C ATOM 638 C GLY A 47 0.529 24.679 -21.417 1.00 0.00 C ATOM 639 O GLY A 47 1.699 24.419 -21.149 1.00 0.00 O ATOM 0 H GLY A 47 -1.138 26.420 -21.030 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.036 25.290 -23.407 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.100 26.372 -22.626 1.00 0.00 H new ATOM 643 N PHE A 48 -0.513 24.055 -20.843 1.00 0.00 N ATOM 644 CA PHE A 48 -0.372 23.020 -19.828 1.00 0.00 C ATOM 645 C PHE A 48 -1.528 22.021 -19.859 1.00 0.00 C ATOM 646 O PHE A 48 -2.679 22.380 -20.099 1.00 0.00 O ATOM 647 CB PHE A 48 -0.228 23.641 -18.429 1.00 0.00 C ATOM 648 CG PHE A 48 1.214 23.701 -17.974 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.806 22.560 -17.401 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.966 24.880 -18.131 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.148 22.594 -16.990 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.309 24.913 -17.724 1.00 0.00 C ATOM 653 CZ PHE A 48 3.901 23.767 -17.164 1.00 0.00 C ATOM 0 H PHE A 48 -1.483 24.263 -21.079 1.00 0.00 H new ATOM 0 HA PHE A 48 0.539 22.468 -20.059 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.647 24.647 -18.436 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.809 23.059 -17.714 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.227 21.657 -17.277 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.510 25.758 -18.564 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.600 21.721 -16.542 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.887 25.818 -17.841 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.939 23.789 -16.866 1.00 0.00 H new ATOM 663 N ASP A 49 -1.176 20.758 -19.596 1.00 0.00 N ATOM 664 CA ASP A 49 -2.056 19.601 -19.540 1.00 0.00 C ATOM 665 C ASP A 49 -1.324 18.497 -18.773 1.00 0.00 C ATOM 666 O ASP A 49 -0.188 18.697 -18.341 1.00 0.00 O ATOM 667 CB ASP A 49 -2.433 19.152 -20.960 1.00 0.00 C ATOM 668 CG ASP A 49 -1.213 18.694 -21.759 1.00 0.00 C ATOM 669 OD1 ASP A 49 -0.592 19.569 -22.401 1.00 0.00 O ATOM 670 OD2 ASP A 49 -0.919 17.480 -21.710 1.00 0.00 O ATOM 0 H ASP A 49 -0.206 20.508 -19.405 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.987 19.843 -19.027 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.155 18.338 -20.903 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.921 19.975 -21.483 1.00 0.00 H new ATOM 675 N PHE A 50 -1.971 17.337 -18.601 1.00 0.00 N ATOM 676 CA PHE A 50 -1.397 16.192 -17.905 1.00 0.00 C ATOM 677 C PHE A 50 -1.746 14.923 -18.688 1.00 0.00 C ATOM 678 O PHE A 50 -2.929 14.633 -18.857 1.00 0.00 O ATOM 679 CB PHE A 50 -1.893 16.169 -16.456 1.00 0.00 C ATOM 680 CG PHE A 50 -1.520 17.440 -15.713 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.211 17.604 -15.223 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.470 18.461 -15.524 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.148 18.783 -14.547 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.108 19.640 -14.847 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.801 19.800 -14.359 1.00 0.00 C ATOM 0 H PHE A 50 -2.916 17.172 -18.947 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.310 16.259 -17.856 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.976 16.045 -16.444 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.468 15.308 -15.940 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.520 16.822 -15.367 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.476 18.340 -15.898 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.153 18.906 -14.172 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.837 20.424 -14.702 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.526 20.706 -13.839 1.00 0.00 H new ATOM 695 N PRO A 51 -0.746 14.164 -19.180 1.00 0.00 N ATOM 696 CA PRO A 51 -0.952 12.957 -19.963 1.00 0.00 C ATOM 697 C PRO A 51 -1.331 11.752 -19.093 1.00 0.00 C ATOM 698 O PRO A 51 -0.512 10.864 -18.867 1.00 0.00 O ATOM 699 CB PRO A 51 0.373 12.754 -20.711 1.00 0.00 C ATOM 700 CG PRO A 51 1.406 13.260 -19.706 1.00 0.00 C ATOM 701 CD PRO A 51 0.680 14.423 -19.030 1.00 0.00 C ATOM 0 HA PRO A 51 -1.793 13.054 -20.650 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.537 11.707 -20.968 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.403 13.319 -21.642 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.686 12.487 -18.990 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.322 13.586 -20.198 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.953 14.491 -17.977 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.953 15.372 -19.492 1.00 0.00 H new ATOM 709 N VAL A 52 -2.579 11.734 -18.607 1.00 0.00 N ATOM 710 CA VAL A 52 -3.129 10.660 -17.789 1.00 0.00 C ATOM 711 C VAL A 52 -4.535 10.323 -18.300 1.00 0.00 C ATOM 712 O VAL A 52 -4.654 9.479 -19.187 1.00 0.00 O ATOM 713 CB VAL A 52 -3.023 10.937 -16.273 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.645 10.512 -15.745 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.253 12.396 -15.852 1.00 0.00 C ATOM 0 H VAL A 52 -3.245 12.487 -18.779 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.522 9.762 -17.901 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.832 10.349 -15.840 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.587 10.714 -14.675 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.501 9.446 -15.921 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.868 11.074 -16.263 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.156 12.482 -14.770 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.513 13.035 -16.334 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.253 12.708 -16.153 1.00 0.00 H new ATOM 725 N ASP A 53 -5.594 10.958 -17.772 1.00 0.00 N ATOM 726 CA ASP A 53 -6.968 10.715 -18.195 1.00 0.00 C ATOM 727 C ASP A 53 -7.782 12.008 -18.117 1.00 0.00 C ATOM 728 O ASP A 53 -8.014 12.653 -19.139 1.00 0.00 O ATOM 729 CB ASP A 53 -7.609 9.603 -17.342 1.00 0.00 C ATOM 730 CG ASP A 53 -6.946 8.245 -17.556 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.325 7.572 -18.540 1.00 0.00 O ATOM 732 OD2 ASP A 53 -6.067 7.903 -16.734 1.00 0.00 O ATOM 0 H ASP A 53 -5.512 11.658 -17.035 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.961 10.379 -19.232 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.542 9.874 -16.288 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.669 9.528 -17.585 1.00 0.00 H new ATOM 737 N GLY A 54 -8.210 12.380 -16.904 1.00 0.00 N ATOM 738 CA GLY A 54 -9.015 13.562 -16.638 1.00 0.00 C ATOM 739 C GLY A 54 -10.512 13.222 -16.643 1.00 0.00 C ATOM 740 O GLY A 54 -10.871 12.050 -16.764 1.00 0.00 O ATOM 0 H GLY A 54 -7.996 11.847 -16.062 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.738 13.985 -15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.809 14.323 -17.390 1.00 0.00 H new ATOM 744 N PRO A 55 -11.404 14.221 -16.513 1.00 0.00 N ATOM 745 CA PRO A 55 -11.095 15.640 -16.384 1.00 0.00 C ATOM 746 C PRO A 55 -10.287 15.896 -15.114 1.00 0.00 C ATOM 747 O PRO A 55 -10.544 15.294 -14.073 1.00 0.00 O ATOM 748 CB PRO A 55 -12.444 16.367 -16.363 1.00 0.00 C ATOM 749 CG PRO A 55 -13.418 15.297 -15.880 1.00 0.00 C ATOM 750 CD PRO A 55 -12.842 14.019 -16.486 1.00 0.00 C ATOM 0 HA PRO A 55 -10.481 16.001 -17.209 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.427 17.226 -15.692 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.715 16.739 -17.351 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.457 15.247 -14.792 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.433 15.488 -16.227 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.105 13.147 -15.888 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.234 13.848 -17.489 1.00 0.00 H new ATOM 758 N TYR A 56 -9.300 16.790 -15.216 1.00 0.00 N ATOM 759 CA TYR A 56 -8.406 17.142 -14.123 1.00 0.00 C ATOM 760 C TYR A 56 -9.042 18.214 -13.241 1.00 0.00 C ATOM 761 O TYR A 56 -10.099 18.746 -13.578 1.00 0.00 O ATOM 762 CB TYR A 56 -7.031 17.562 -14.681 1.00 0.00 C ATOM 763 CG TYR A 56 -6.681 16.973 -16.041 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.086 15.702 -16.138 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.967 17.698 -17.213 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.780 15.162 -17.401 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.659 17.159 -18.474 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.066 15.889 -18.568 1.00 0.00 C ATOM 769 OH TYR A 56 -5.774 15.358 -19.791 1.00 0.00 O ATOM 0 H TYR A 56 -9.101 17.296 -16.079 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.241 16.272 -13.487 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.002 18.649 -14.754 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.261 17.270 -13.967 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.864 15.140 -15.243 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.425 18.673 -17.143 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.324 14.186 -17.473 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.878 17.721 -19.370 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.859 15.006 -19.785 1.00 0.00 H new ATOM 779 N GLN A 57 -8.402 18.522 -12.105 1.00 0.00 N ATOM 780 CA GLN A 57 -8.908 19.508 -11.163 1.00 0.00 C ATOM 781 C GLN A 57 -7.785 20.136 -10.340 1.00 0.00 C ATOM 782 O GLN A 57 -6.878 19.447 -9.873 1.00 0.00 O ATOM 783 CB GLN A 57 -9.987 18.873 -10.280 1.00 0.00 C ATOM 784 CG GLN A 57 -9.418 17.799 -9.337 1.00 0.00 C ATOM 785 CD GLN A 57 -9.338 18.278 -7.887 1.00 0.00 C ATOM 786 OE1 GLN A 57 -8.962 19.416 -7.615 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.705 17.409 -6.946 1.00 0.00 N ATOM 0 H GLN A 57 -7.522 18.092 -11.821 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.362 20.325 -11.724 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.473 19.650 -9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.754 18.427 -10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.043 16.907 -9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.423 17.511 -9.677 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.012 16.472 -7.209 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.679 17.680 -5.963 1.00 0.00 H new ATOM 796 N GLU A 58 -7.880 21.457 -10.163 1.00 0.00 N ATOM 797 CA GLU A 58 -6.927 22.288 -9.442 1.00 0.00 C ATOM 798 C GLU A 58 -7.153 22.266 -7.932 1.00 0.00 C ATOM 799 O GLU A 58 -8.291 22.217 -7.476 1.00 0.00 O ATOM 800 CB GLU A 58 -7.075 23.737 -9.950 1.00 0.00 C ATOM 801 CG GLU A 58 -5.915 24.196 -10.833 1.00 0.00 C ATOM 802 CD GLU A 58 -4.642 24.522 -10.057 1.00 0.00 C ATOM 803 OE1 GLU A 58 -4.672 24.414 -8.812 1.00 0.00 O ATOM 804 OE2 GLU A 58 -3.654 24.879 -10.736 1.00 0.00 O ATOM 0 H GLU A 58 -8.661 21.995 -10.538 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.927 21.894 -9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.005 23.823 -10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.157 24.407 -9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.695 23.416 -11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.224 25.079 -11.393 1.00 0.00 H new ATOM 811 N PHE A 59 -6.055 22.309 -7.162 1.00 0.00 N ATOM 812 CA PHE A 59 -6.062 22.333 -5.707 1.00 0.00 C ATOM 813 C PHE A 59 -4.752 23.011 -5.301 1.00 0.00 C ATOM 814 O PHE A 59 -3.682 22.453 -5.517 1.00 0.00 O ATOM 815 CB PHE A 59 -6.262 20.929 -5.125 1.00 0.00 C ATOM 816 CG PHE A 59 -7.034 20.929 -3.814 1.00 0.00 C ATOM 817 CD1 PHE A 59 -8.299 21.546 -3.748 1.00 0.00 C ATOM 818 CD2 PHE A 59 -6.498 20.328 -2.659 1.00 0.00 C ATOM 819 CE1 PHE A 59 -9.019 21.565 -2.543 1.00 0.00 C ATOM 820 CE2 PHE A 59 -7.233 20.325 -1.460 1.00 0.00 C ATOM 821 CZ PHE A 59 -8.492 20.945 -1.400 1.00 0.00 C ATOM 0 H PHE A 59 -5.114 22.328 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.902 22.895 -5.299 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.792 20.313 -5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.288 20.466 -4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.717 22.007 -4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.521 19.869 -2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.979 22.057 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.828 19.844 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.053 20.944 -0.477 1.00 0.00 H new ATOM 831 N PRO A 60 -4.782 24.201 -4.690 1.00 0.00 N ATOM 832 CA PRO A 60 -3.573 24.924 -4.373 1.00 0.00 C ATOM 833 C PRO A 60 -2.873 24.455 -3.097 1.00 0.00 C ATOM 834 O PRO A 60 -3.540 24.066 -2.137 1.00 0.00 O ATOM 835 CB PRO A 60 -4.039 26.369 -4.349 1.00 0.00 C ATOM 836 CG PRO A 60 -5.412 26.268 -3.687 1.00 0.00 C ATOM 837 CD PRO A 60 -5.944 24.937 -4.230 1.00 0.00 C ATOM 0 HA PRO A 60 -2.780 24.757 -5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.360 27.004 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.103 26.791 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.339 26.263 -2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.056 27.104 -3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.475 24.384 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.649 25.102 -5.045 1.00 0.00 H new ATOM 845 N ILE A 61 -1.527 24.486 -3.099 1.00 0.00 N ATOM 846 CA ILE A 61 -0.711 24.083 -1.955 1.00 0.00 C ATOM 847 C ILE A 61 0.123 25.217 -1.389 1.00 0.00 C ATOM 848 O ILE A 61 0.027 26.394 -1.731 1.00 0.00 O ATOM 849 CB ILE A 61 0.144 22.837 -2.211 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.042 21.780 -1.079 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.516 23.086 -2.858 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.893 20.582 -1.426 1.00 0.00 C ATOM 0 H ILE A 61 -0.979 24.794 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.438 23.805 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.329 22.321 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.372 22.212 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.996 21.475 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.033 22.136 -2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.379 23.565 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.110 23.734 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.820 19.841 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.543 20.145 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.932 20.894 -1.538 1.00 0.00 H new ATOM 864 N LYS A 62 0.945 24.711 -0.492 1.00 0.00 N ATOM 865 CA LYS A 62 1.940 25.326 0.373 1.00 0.00 C ATOM 866 C LYS A 62 2.873 24.213 0.864 1.00 0.00 C ATOM 867 O LYS A 62 2.742 23.061 0.453 1.00 0.00 O ATOM 868 CB LYS A 62 1.255 26.097 1.516 1.00 0.00 C ATOM 869 CG LYS A 62 1.636 27.586 1.585 1.00 0.00 C ATOM 870 CD LYS A 62 2.988 27.875 2.264 1.00 0.00 C ATOM 871 CE LYS A 62 4.204 27.918 1.328 1.00 0.00 C ATOM 872 NZ LYS A 62 4.140 29.046 0.383 1.00 0.00 N ATOM 0 H LYS A 62 0.928 23.704 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 62 2.535 26.066 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.174 26.014 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.510 25.623 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.661 27.988 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.854 28.122 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.917 28.831 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.163 27.113 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.115 27.995 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.265 26.983 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.071 29.180 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.432 28.844 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.872 29.912 0.893 1.00 0.00 H new ATOM 886 N SER A 63 3.813 24.547 1.753 1.00 0.00 N ATOM 887 CA SER A 63 4.749 23.597 2.338 1.00 0.00 C ATOM 888 C SER A 63 4.129 23.102 3.645 1.00 0.00 C ATOM 889 O SER A 63 4.687 23.294 4.724 1.00 0.00 O ATOM 890 CB SER A 63 6.107 24.281 2.531 1.00 0.00 C ATOM 891 OG SER A 63 6.658 24.604 1.272 1.00 0.00 O ATOM 0 H SER A 63 3.943 25.502 2.088 1.00 0.00 H new ATOM 0 HA SER A 63 4.929 22.736 1.694 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.989 25.184 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.783 23.623 3.077 1.00 0.00 H new ATOM 0 HG SER A 63 6.263 24.028 0.584 1.00 0.00 H new ATOM 897 N GLY A 64 2.956 22.463 3.522 1.00 0.00 N ATOM 898 CA GLY A 64 2.174 21.934 4.624 1.00 0.00 C ATOM 899 C GLY A 64 1.087 22.945 4.981 1.00 0.00 C ATOM 900 O GLY A 64 1.033 23.424 6.112 1.00 0.00 O ATOM 0 H GLY A 64 2.519 22.300 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.726 20.980 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.814 21.747 5.486 1.00 0.00 H new ATOM 904 N GLY A 65 0.228 23.268 4.004 1.00 0.00 N ATOM 905 CA GLY A 65 -0.865 24.213 4.171 1.00 0.00 C ATOM 906 C GLY A 65 -1.774 24.191 2.945 1.00 0.00 C ATOM 907 O GLY A 65 -1.931 25.206 2.269 1.00 0.00 O ATOM 0 H GLY A 65 0.281 22.870 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.439 23.962 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.468 25.217 4.320 1.00 0.00 H new ATOM 911 N VAL A 66 -2.376 23.029 2.666 1.00 0.00 N ATOM 912 CA VAL A 66 -3.261 22.838 1.527 1.00 0.00 C ATOM 913 C VAL A 66 -4.527 23.690 1.660 1.00 0.00 C ATOM 914 O VAL A 66 -5.311 23.498 2.588 1.00 0.00 O ATOM 915 CB VAL A 66 -3.551 21.339 1.318 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.250 20.650 2.501 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.384 21.142 0.048 1.00 0.00 C ATOM 0 H VAL A 66 -2.257 22.191 3.235 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.761 23.189 0.624 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.575 20.862 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.414 19.599 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.624 20.729 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.209 21.133 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.585 20.080 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.327 21.681 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.833 21.525 -0.811 1.00 0.00 H new ATOM 927 N TYR A 67 -4.713 24.633 0.724 1.00 0.00 N ATOM 928 CA TYR A 67 -5.853 25.540 0.658 1.00 0.00 C ATOM 929 C TYR A 67 -6.045 26.289 1.983 1.00 0.00 C ATOM 930 O TYR A 67 -7.044 26.088 2.670 1.00 0.00 O ATOM 931 CB TYR A 67 -7.098 24.761 0.193 1.00 0.00 C ATOM 932 CG TYR A 67 -8.341 25.597 -0.061 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.343 26.570 -1.078 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.504 25.396 0.710 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.496 27.336 -1.322 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.657 26.162 0.465 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.654 27.134 -0.552 1.00 0.00 C ATOM 938 OH TYR A 67 -11.774 27.874 -0.800 1.00 0.00 O ATOM 0 H TYR A 67 -4.045 24.785 -0.032 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.668 26.319 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.848 24.227 -0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.336 24.009 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.456 26.729 -1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.509 24.651 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.492 28.082 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.546 26.004 1.058 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.485 27.609 -0.180 1.00 0.00 H new ATOM 948 N THR A 68 -5.075 27.146 2.340 1.00 0.00 N ATOM 949 CA THR A 68 -5.098 27.953 3.558 1.00 0.00 C ATOM 950 C THR A 68 -4.609 29.377 3.277 1.00 0.00 C ATOM 951 O THR A 68 -3.470 29.722 3.592 1.00 0.00 O ATOM 952 CB THR A 68 -4.274 27.292 4.680 1.00 0.00 C ATOM 953 OG1 THR A 68 -2.946 27.060 4.257 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.885 25.976 5.165 1.00 0.00 C ATOM 0 H THR A 68 -4.239 27.296 1.775 1.00 0.00 H new ATOM 0 HA THR A 68 -6.131 28.014 3.901 1.00 0.00 H new ATOM 0 HB THR A 68 -4.281 27.992 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.950 26.460 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.263 25.555 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.887 26.161 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.941 25.273 4.334 1.00 0.00 H new ATOM 962 N GLY A 69 -5.475 30.207 2.680 1.00 0.00 N ATOM 963 CA GLY A 69 -5.179 31.597 2.370 1.00 0.00 C ATOM 964 C GLY A 69 -4.207 31.761 1.204 1.00 0.00 C ATOM 965 O GLY A 69 -2.996 31.633 1.383 1.00 0.00 O ATOM 0 H GLY A 69 -6.412 29.920 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.108 32.116 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.760 32.078 3.254 1.00 0.00 H new ATOM 969 N GLY A 70 -4.740 32.056 0.011 1.00 0.00 N ATOM 970 CA GLY A 70 -3.957 32.271 -1.196 1.00 0.00 C ATOM 971 C GLY A 70 -3.406 33.698 -1.236 1.00 0.00 C ATOM 972 O GLY A 70 -3.568 34.455 -0.280 1.00 0.00 O ATOM 0 H GLY A 70 -5.745 32.152 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.134 31.557 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.577 32.090 -2.074 1.00 0.00 H new ATOM 976 N SER A 71 -2.764 34.057 -2.356 1.00 0.00 N ATOM 977 CA SER A 71 -2.157 35.361 -2.599 1.00 0.00 C ATOM 978 C SER A 71 -1.120 35.713 -1.519 1.00 0.00 C ATOM 979 O SER A 71 -1.470 36.381 -0.547 1.00 0.00 O ATOM 980 CB SER A 71 -3.237 36.446 -2.733 1.00 0.00 C ATOM 981 OG SER A 71 -4.136 36.120 -3.772 1.00 0.00 O ATOM 0 H SER A 71 -2.652 33.419 -3.144 1.00 0.00 H new ATOM 0 HA SER A 71 -1.619 35.311 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.779 36.547 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.770 37.410 -2.936 1.00 0.00 H new ATOM 0 HG SER A 71 -4.819 36.819 -3.845 1.00 0.00 H new ATOM 987 N PRO A 72 0.151 35.294 -1.664 1.00 0.00 N ATOM 988 CA PRO A 72 0.713 34.496 -2.749 1.00 0.00 C ATOM 989 C PRO A 72 0.087 33.103 -2.845 1.00 0.00 C ATOM 990 O PRO A 72 -0.223 32.487 -1.826 1.00 0.00 O ATOM 991 CB PRO A 72 2.216 34.402 -2.451 1.00 0.00 C ATOM 992 CG PRO A 72 2.461 35.648 -1.602 1.00 0.00 C ATOM 993 CD PRO A 72 1.213 35.612 -0.728 1.00 0.00 C ATOM 0 HA PRO A 72 0.509 34.964 -3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.467 33.488 -1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.812 34.409 -3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.381 35.584 -1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.526 36.556 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.294 34.860 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.040 36.569 -0.236 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.102 32.621 -4.079 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.672 31.312 -4.356 1.00 0.00 C ATOM 1003 C GLY A 73 -0.229 30.810 -5.728 1.00 0.00 C ATOM 1004 O GLY A 73 -1.057 30.359 -6.518 1.00 0.00 O ATOM 0 H GLY A 73 0.143 33.143 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.362 30.605 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.760 31.368 -4.318 1.00 0.00 H new ATOM 1008 N ALA A 74 1.078 30.893 -6.008 1.00 0.00 N ATOM 1009 CA ALA A 74 1.665 30.445 -7.262 1.00 0.00 C ATOM 1010 C ALA A 74 1.623 28.922 -7.327 1.00 0.00 C ATOM 1011 O ALA A 74 1.072 28.365 -8.273 1.00 0.00 O ATOM 1012 CB ALA A 74 3.102 30.967 -7.373 1.00 0.00 C ATOM 0 H ALA A 74 1.761 31.280 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 74 1.095 30.840 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.540 30.630 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.096 32.057 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.693 30.586 -6.540 1.00 0.00 H new ATOM 1018 N ASP A 75 2.201 28.271 -6.309 1.00 0.00 N ATOM 1019 CA ASP A 75 2.306 26.826 -6.154 1.00 0.00 C ATOM 1020 C ASP A 75 0.944 26.139 -6.058 1.00 0.00 C ATOM 1021 O ASP A 75 0.174 26.392 -5.130 1.00 0.00 O ATOM 1022 CB ASP A 75 3.198 26.491 -4.956 1.00 0.00 C ATOM 1023 CG ASP A 75 2.685 26.981 -3.598 1.00 0.00 C ATOM 1024 OD1 ASP A 75 2.075 28.071 -3.549 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.927 26.249 -2.617 1.00 0.00 O ATOM 0 H ASP A 75 2.630 28.773 -5.531 1.00 0.00 H new ATOM 0 HA ASP A 75 2.771 26.431 -7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.324 25.409 -4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.185 26.919 -5.129 1.00 0.00 H new ATOM 1030 N ARG A 76 0.671 25.251 -7.023 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.582 24.524 -7.128 1.00 0.00 C ATOM 1032 C ARG A 76 -0.419 23.085 -7.621 1.00 0.00 C ATOM 1033 O ARG A 76 0.183 22.856 -8.669 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.466 25.280 -8.134 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.293 26.395 -7.486 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.572 27.557 -8.437 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.304 28.631 -7.756 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.570 29.834 -8.294 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -3.232 30.113 -9.561 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.176 30.772 -7.554 1.00 0.00 N ATOM 0 H ARG A 76 1.334 25.020 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.017 24.467 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.835 25.709 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.138 24.573 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.240 25.982 -7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.765 26.769 -6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.632 27.945 -8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.150 27.202 -9.290 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.634 28.452 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.766 29.408 -10.132 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.441 31.031 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.433 30.572 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.380 31.686 -7.957 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.969 22.122 -6.865 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.953 20.711 -7.234 1.00 0.00 C ATOM 1056 C VAL A 77 -2.264 20.483 -7.983 1.00 0.00 C ATOM 1057 O VAL A 77 -3.273 21.119 -7.687 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.783 19.747 -6.051 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.619 19.887 -5.446 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.841 19.905 -4.952 1.00 0.00 C ATOM 0 H VAL A 77 -1.438 22.308 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.079 20.492 -7.848 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.921 18.748 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.724 19.197 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.367 19.655 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.763 20.909 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.648 19.187 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.798 20.916 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.831 19.724 -5.371 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.272 19.574 -8.953 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.454 19.315 -9.763 1.00 0.00 C ATOM 1072 C VAL A 78 -3.583 17.795 -9.915 1.00 0.00 C ATOM 1073 O VAL A 78 -2.598 17.128 -10.232 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.281 20.130 -11.061 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.453 19.960 -12.033 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.115 21.632 -10.717 1.00 0.00 C ATOM 0 H VAL A 78 -1.465 19.001 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.401 19.637 -9.329 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.389 19.748 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.274 20.557 -12.927 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.546 18.910 -12.311 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.374 20.291 -11.554 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.993 22.205 -11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.999 21.983 -10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.236 21.766 -10.087 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.791 17.253 -9.678 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.081 15.819 -9.744 1.00 0.00 C ATOM 1088 C ILE A 79 -6.154 15.490 -10.788 1.00 0.00 C ATOM 1089 O ILE A 79 -6.610 16.366 -11.516 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.464 15.288 -8.341 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.893 15.642 -7.891 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.478 15.759 -7.265 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.425 14.623 -6.878 1.00 0.00 C ATOM 0 H ILE A 79 -5.605 17.815 -9.431 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.175 15.309 -10.071 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.417 14.204 -8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.901 16.638 -7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.552 15.674 -8.758 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.782 15.365 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.478 15.399 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.472 16.848 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.436 14.900 -6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.440 13.632 -7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.778 14.610 -6.001 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.538 14.207 -10.851 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.563 13.640 -11.717 1.00 0.00 C ATOM 1107 C ASN A 80 -8.834 13.570 -10.877 1.00 0.00 C ATOM 1108 O ASN A 80 -8.759 13.467 -9.651 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.187 12.226 -12.184 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.024 12.196 -13.170 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.523 13.235 -13.593 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.597 10.991 -13.551 1.00 0.00 N ATOM 0 H ASN A 80 -6.108 13.498 -10.257 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.685 14.253 -12.610 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.930 11.622 -11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.058 11.763 -12.648 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.828 10.909 -14.216 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.039 10.151 -13.177 1.00 0.00 H new ATOM 1119 N THR A 81 -10.005 13.609 -11.522 1.00 0.00 N ATOM 1120 CA THR A 81 -11.275 13.580 -10.809 1.00 0.00 C ATOM 1121 C THR A 81 -11.623 12.292 -10.081 1.00 0.00 C ATOM 1122 O THR A 81 -12.669 12.244 -9.433 1.00 0.00 O ATOM 1123 CB THR A 81 -12.415 14.117 -11.684 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.589 14.345 -10.929 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.720 13.111 -12.789 1.00 0.00 C ATOM 0 H THR A 81 -10.094 13.661 -12.537 1.00 0.00 H new ATOM 0 HA THR A 81 -11.131 14.266 -9.974 1.00 0.00 H new ATOM 0 HB THR A 81 -12.093 15.068 -12.109 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.603 13.743 -10.156 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.530 13.490 -13.413 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.830 12.962 -13.401 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.018 12.161 -12.344 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.780 11.259 -10.151 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.075 10.042 -9.440 1.00 0.00 C ATOM 1135 C ASN A 82 -10.343 10.232 -8.114 1.00 0.00 C ATOM 1136 O ASN A 82 -10.959 10.513 -7.086 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.659 8.817 -10.275 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.423 7.569 -9.839 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.990 6.857 -8.935 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -12.566 7.308 -10.483 1.00 0.00 N ATOM 0 H ASN A 82 -9.910 11.252 -10.684 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.132 9.849 -9.255 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.847 9.012 -11.331 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.588 8.647 -10.168 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.118 6.489 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.885 7.928 -11.227 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.019 10.079 -8.174 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.102 10.191 -7.041 1.00 0.00 C ATOM 1149 C CYS A 83 -6.611 10.347 -7.386 1.00 0.00 C ATOM 1150 O CYS A 83 -5.823 10.682 -6.501 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.300 9.017 -6.068 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.037 9.400 -4.312 1.00 0.00 S ATOM 0 H CYS A 83 -8.538 9.865 -9.048 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.375 11.136 -6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.313 8.634 -6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.620 8.214 -6.352 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.213 10.128 -8.649 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.814 10.129 -9.074 1.00 0.00 C ATOM 1159 C GLU A 84 -4.121 11.470 -9.311 1.00 0.00 C ATOM 1160 O GLU A 84 -4.659 12.340 -9.983 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.706 9.298 -10.361 1.00 0.00 C ATOM 1162 CG GLU A 84 -5.177 7.850 -10.169 1.00 0.00 C ATOM 1163 CD GLU A 84 -5.042 7.058 -11.466 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -5.845 7.334 -12.384 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -4.141 6.192 -11.519 1.00 0.00 O ATOM 0 H GLU A 84 -6.867 9.943 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.284 9.718 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.300 9.769 -11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.671 9.297 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.590 7.373 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.216 7.842 -9.839 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.905 11.610 -8.757 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.050 12.785 -8.893 1.00 0.00 C ATOM 1174 C TYR A 85 -1.727 12.918 -10.385 1.00 0.00 C ATOM 1175 O TYR A 85 -1.236 11.968 -10.996 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.787 12.592 -8.025 1.00 0.00 C ATOM 1177 CG TYR A 85 0.366 13.556 -8.272 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.282 13.287 -9.309 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.542 14.707 -7.476 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.359 14.157 -9.552 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.606 15.589 -7.739 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.514 15.317 -8.775 1.00 0.00 C ATOM 1183 OH TYR A 85 3.549 16.175 -9.014 1.00 0.00 O ATOM 0 H TYR A 85 -2.483 10.879 -8.184 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.530 13.700 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.078 12.671 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.421 11.577 -8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.155 12.406 -9.921 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.140 14.911 -6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.067 13.934 -10.336 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.725 16.480 -7.141 1.00 0.00 H new ATOM 0 HH TYR A 85 3.787 16.144 -9.964 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.008 14.089 -10.970 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.786 14.373 -12.379 1.00 0.00 C ATOM 1195 C ALA A 86 -0.434 15.050 -12.553 1.00 0.00 C ATOM 1196 O ALA A 86 0.306 14.733 -13.482 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.912 15.259 -12.920 1.00 0.00 C ATOM 0 H ALA A 86 -2.404 14.878 -10.459 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.786 13.441 -12.943 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.737 15.466 -13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.866 14.745 -12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.935 16.197 -12.365 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.125 15.992 -11.656 1.00 0.00 N ATOM 1204 CA GLY A 87 1.126 16.719 -11.670 1.00 0.00 C ATOM 1205 C GLY A 87 1.095 17.865 -10.666 1.00 0.00 C ATOM 1206 O GLY A 87 0.237 17.925 -9.785 1.00 0.00 O ATOM 0 H GLY A 87 -0.749 16.266 -10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.948 16.043 -11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.314 17.110 -12.670 1.00 0.00 H new ATOM 1210 N ALA A 88 2.061 18.769 -10.823 1.00 0.00 N ATOM 1211 CA ALA A 88 2.248 19.954 -10.014 1.00 0.00 C ATOM 1212 C ALA A 88 2.816 21.046 -10.916 1.00 0.00 C ATOM 1213 O ALA A 88 3.653 20.773 -11.778 1.00 0.00 O ATOM 1214 CB ALA A 88 3.171 19.627 -8.837 1.00 0.00 C ATOM 0 H ALA A 88 2.765 18.683 -11.556 1.00 0.00 H new ATOM 0 HA ALA A 88 1.308 20.306 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.313 20.519 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.723 18.840 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.136 19.289 -9.214 1.00 0.00 H new ATOM 1220 N ILE A 89 2.341 22.279 -10.711 1.00 0.00 N ATOM 1221 CA ILE A 89 2.725 23.460 -11.469 1.00 0.00 C ATOM 1222 C ILE A 89 2.796 24.665 -10.521 1.00 0.00 C ATOM 1223 O ILE A 89 2.309 24.585 -9.394 1.00 0.00 O ATOM 1224 CB ILE A 89 1.736 23.667 -12.637 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.268 23.690 -12.161 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.928 22.589 -13.711 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.716 24.046 -13.280 1.00 0.00 C ATOM 0 H ILE A 89 1.654 22.482 -9.985 1.00 0.00 H new ATOM 0 HA ILE A 89 3.714 23.336 -11.910 1.00 0.00 H new ATOM 0 HB ILE A 89 1.956 24.643 -13.070 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.008 22.713 -11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.165 24.412 -11.351 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.221 22.755 -14.524 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.945 22.639 -14.099 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.755 21.605 -13.274 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.732 24.046 -12.885 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.479 25.035 -13.672 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.638 23.310 -14.080 1.00 0.00 H new ATOM 1239 N THR A 90 3.405 25.779 -10.954 1.00 0.00 N ATOM 1240 CA THR A 90 3.534 26.965 -10.115 1.00 0.00 C ATOM 1241 C THR A 90 3.786 28.253 -10.899 1.00 0.00 C ATOM 1242 O THR A 90 4.363 28.206 -11.983 1.00 0.00 O ATOM 1243 CB THR A 90 4.708 26.769 -9.133 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.763 27.857 -8.232 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.066 26.650 -9.848 1.00 0.00 C ATOM 0 H THR A 90 3.814 25.877 -11.883 1.00 0.00 H new ATOM 0 HA THR A 90 2.580 27.076 -9.600 1.00 0.00 H new ATOM 0 HB THR A 90 4.525 25.834 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.509 27.728 -7.609 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.856 26.514 -9.109 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.048 25.794 -10.522 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.257 27.558 -10.420 1.00 0.00 H new ATOM 1253 N HIS A 91 3.336 29.400 -10.356 1.00 0.00 N ATOM 1254 CA HIS A 91 3.608 30.707 -10.968 1.00 0.00 C ATOM 1255 C HIS A 91 5.039 31.163 -10.627 1.00 0.00 C ATOM 1256 O HIS A 91 5.511 32.150 -11.191 1.00 0.00 O ATOM 1257 CB HIS A 91 2.630 31.852 -10.625 1.00 0.00 C ATOM 1258 CG HIS A 91 1.174 31.627 -10.911 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.237 32.651 -10.866 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.463 30.507 -11.240 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.955 32.112 -11.176 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.882 30.806 -11.424 1.00 0.00 N ATOM 0 H HIS A 91 2.785 29.445 -9.499 1.00 0.00 H new ATOM 0 HA HIS A 91 3.471 30.524 -12.034 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.734 32.077 -9.563 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.947 32.740 -11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.890 29.520 -11.343 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.874 32.678 -11.219 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.637 30.173 -11.688 1.00 0.00 H new ATOM 1270 N THR A 92 5.733 30.468 -9.709 1.00 0.00 N ATOM 1271 CA THR A 92 7.085 30.790 -9.282 1.00 0.00 C ATOM 1272 C THR A 92 8.044 30.581 -10.455 1.00 0.00 C ATOM 1273 O THR A 92 8.261 29.451 -10.888 1.00 0.00 O ATOM 1274 CB THR A 92 7.463 29.917 -8.075 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.504 30.082 -7.050 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.843 30.284 -7.521 1.00 0.00 C ATOM 0 H THR A 92 5.350 29.648 -9.238 1.00 0.00 H new ATOM 0 HA THR A 92 7.149 31.833 -8.972 1.00 0.00 H new ATOM 0 HB THR A 92 7.489 28.881 -8.413 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.746 29.523 -6.282 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.075 29.645 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.596 30.142 -8.296 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.842 31.327 -7.203 1.00 0.00 H new ATOM 1284 N GLY A 93 8.608 31.683 -10.964 1.00 0.00 N ATOM 1285 CA GLY A 93 9.531 31.678 -12.087 1.00 0.00 C ATOM 1286 C GLY A 93 8.800 31.496 -13.418 1.00 0.00 C ATOM 1287 O GLY A 93 9.333 30.858 -14.323 1.00 0.00 O ATOM 0 H GLY A 93 8.427 32.616 -10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.090 32.614 -12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.257 30.876 -11.958 1.00 0.00 H new ATOM 1291 N ALA A 94 7.583 32.050 -13.525 1.00 0.00 N ATOM 1292 CA ALA A 94 6.739 32.003 -14.714 1.00 0.00 C ATOM 1293 C ALA A 94 6.561 33.395 -15.328 1.00 0.00 C ATOM 1294 O ALA A 94 6.224 33.500 -16.506 1.00 0.00 O ATOM 1295 CB ALA A 94 5.381 31.397 -14.353 1.00 0.00 C ATOM 0 H ALA A 94 7.150 32.560 -12.755 1.00 0.00 H new ATOM 0 HA ALA A 94 7.227 31.377 -15.461 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.750 31.362 -15.241 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.524 30.387 -13.969 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.900 32.010 -13.591 1.00 0.00 H new ATOM 1301 N SER A 95 6.781 34.454 -14.530 1.00 0.00 N ATOM 1302 CA SER A 95 6.681 35.856 -14.914 1.00 0.00 C ATOM 1303 C SER A 95 5.221 36.246 -15.157 1.00 0.00 C ATOM 1304 O SER A 95 4.747 36.215 -16.290 1.00 0.00 O ATOM 1305 CB SER A 95 7.603 36.198 -16.097 1.00 0.00 C ATOM 1306 OG SER A 95 8.931 35.825 -15.797 1.00 0.00 O ATOM 0 H SER A 95 7.046 34.340 -13.552 1.00 0.00 H new ATOM 0 HA SER A 95 7.039 36.463 -14.083 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.265 35.680 -16.994 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.555 37.266 -16.309 1.00 0.00 H new ATOM 0 HG SER A 95 9.512 36.044 -16.555 1.00 0.00 H new ATOM 1312 N GLY A 96 4.519 36.609 -14.075 1.00 0.00 N ATOM 1313 CA GLY A 96 3.126 37.030 -14.094 1.00 0.00 C ATOM 1314 C GLY A 96 2.196 35.894 -13.675 1.00 0.00 C ATOM 1315 O GLY A 96 2.559 35.057 -12.850 1.00 0.00 O ATOM 0 H GLY A 96 4.924 36.615 -13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.991 37.879 -13.423 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.860 37.370 -15.095 1.00 0.00 H new ATOM 1319 N ASN A 97 0.995 35.870 -14.264 1.00 0.00 N ATOM 1320 CA ASN A 97 -0.043 34.881 -13.993 1.00 0.00 C ATOM 1321 C ASN A 97 0.190 33.553 -14.728 1.00 0.00 C ATOM 1322 O ASN A 97 -0.642 32.651 -14.632 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.414 35.485 -14.333 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.583 35.880 -15.804 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -0.717 35.631 -16.641 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.715 36.513 -16.120 1.00 0.00 N ATOM 0 H ASN A 97 0.715 36.560 -14.961 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.008 34.634 -12.932 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.190 34.766 -14.071 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.574 36.366 -13.712 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.884 36.807 -17.082 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.411 36.703 -15.399 1.00 0.00 H new ATOM 1333 N ASN A 98 1.314 33.423 -15.448 1.00 0.00 N ATOM 1334 CA ASN A 98 1.681 32.238 -16.214 1.00 0.00 C ATOM 1335 C ASN A 98 1.999 31.050 -15.298 1.00 0.00 C ATOM 1336 O ASN A 98 1.849 31.138 -14.080 1.00 0.00 O ATOM 1337 CB ASN A 98 2.872 32.590 -17.119 1.00 0.00 C ATOM 1338 CG ASN A 98 2.552 33.704 -18.116 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.403 33.876 -18.521 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.574 34.460 -18.518 1.00 0.00 N ATOM 0 H ASN A 98 2.010 34.166 -15.511 1.00 0.00 H new ATOM 0 HA ASN A 98 0.837 31.929 -16.831 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.715 32.895 -16.499 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.183 31.699 -17.665 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.418 35.215 -19.186 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.512 34.284 -18.157 1.00 0.00 H new ATOM 1347 N PHE A 99 2.451 29.940 -15.893 1.00 0.00 N ATOM 1348 CA PHE A 99 2.777 28.715 -15.180 1.00 0.00 C ATOM 1349 C PHE A 99 4.028 28.034 -15.730 1.00 0.00 C ATOM 1350 O PHE A 99 4.421 28.252 -16.876 1.00 0.00 O ATOM 1351 CB PHE A 99 1.590 27.744 -15.322 1.00 0.00 C ATOM 1352 CG PHE A 99 0.644 27.744 -14.146 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.092 27.209 -12.929 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.664 28.252 -14.251 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.246 27.176 -11.812 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.515 28.223 -13.133 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.056 27.687 -11.915 1.00 0.00 C ATOM 0 H PHE A 99 2.600 29.874 -16.900 1.00 0.00 H new ATOM 0 HA PHE A 99 2.971 28.974 -14.139 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.032 28.000 -16.222 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.976 26.734 -15.463 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.096 26.820 -12.852 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.013 28.663 -15.187 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.594 26.760 -10.878 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.520 28.611 -13.208 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.710 27.669 -11.056 1.00 0.00 H new ATOM 1367 N VAL A 100 4.638 27.210 -14.868 1.00 0.00 N ATOM 1368 CA VAL A 100 5.813 26.387 -15.121 1.00 0.00 C ATOM 1369 C VAL A 100 5.619 25.084 -14.348 1.00 0.00 C ATOM 1370 O VAL A 100 4.790 25.009 -13.442 1.00 0.00 O ATOM 1371 CB VAL A 100 7.150 27.066 -14.780 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.480 28.168 -15.787 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.227 27.591 -13.348 1.00 0.00 C ATOM 0 H VAL A 100 4.296 27.098 -13.914 1.00 0.00 H new ATOM 0 HA VAL A 100 5.889 26.205 -16.193 1.00 0.00 H new ATOM 0 HB VAL A 100 7.906 26.285 -14.852 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.430 28.631 -15.521 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.552 27.738 -16.786 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.693 28.922 -15.772 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.199 28.056 -13.183 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.440 28.328 -13.188 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.097 26.764 -12.650 1.00 0.00 H new ATOM 1383 N GLY A 101 6.399 24.063 -14.708 1.00 0.00 N ATOM 1384 CA GLY A 101 6.321 22.741 -14.106 1.00 0.00 C ATOM 1385 C GLY A 101 7.163 22.603 -12.843 1.00 0.00 C ATOM 1386 O GLY A 101 8.155 23.308 -12.667 1.00 0.00 O ATOM 0 H GLY A 101 7.110 24.137 -15.436 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.281 22.519 -13.867 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.646 21.998 -14.834 1.00 0.00 H new ATOM 1390 N CYS A 102 6.741 21.685 -11.962 1.00 0.00 N ATOM 1391 CA CYS A 102 7.420 21.369 -10.710 1.00 0.00 C ATOM 1392 C CYS A 102 8.529 20.350 -11.035 1.00 0.00 C ATOM 1393 O CYS A 102 8.686 19.957 -12.193 1.00 0.00 O ATOM 1394 CB CYS A 102 6.387 20.837 -9.706 1.00 0.00 C ATOM 1395 SG CYS A 102 6.476 21.392 -7.977 1.00 0.00 S ATOM 0 H CYS A 102 5.897 21.132 -12.109 1.00 0.00 H new ATOM 0 HA CYS A 102 7.882 22.243 -10.251 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.397 21.094 -10.084 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.456 19.749 -9.707 1.00 0.00 H new ATOM 1400 N SER A 103 9.298 19.899 -10.036 1.00 0.00 N ATOM 1401 CA SER A 103 10.393 18.958 -10.267 1.00 0.00 C ATOM 1402 C SER A 103 9.898 17.522 -10.417 1.00 0.00 C ATOM 1403 O SER A 103 9.240 16.989 -9.524 1.00 0.00 O ATOM 1404 CB SER A 103 11.445 19.056 -9.157 1.00 0.00 C ATOM 1405 OG SER A 103 12.553 18.239 -9.476 1.00 0.00 O ATOM 0 H SER A 103 9.179 20.173 -9.061 1.00 0.00 H new ATOM 0 HA SER A 103 10.859 19.239 -11.211 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.766 20.091 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.014 18.745 -8.206 1.00 0.00 H new ATOM 0 HG SER A 103 13.224 18.306 -8.765 1.00 0.00 H new ATOM 1411 N GLY A 104 10.227 16.906 -11.559 1.00 0.00 N ATOM 1412 CA GLY A 104 9.874 15.538 -11.892 1.00 0.00 C ATOM 1413 C GLY A 104 8.364 15.327 -11.955 1.00 0.00 C ATOM 1414 O GLY A 104 7.878 14.270 -11.556 1.00 0.00 O ATOM 0 H GLY A 104 10.763 17.368 -12.294 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.315 15.275 -12.853 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.302 14.864 -11.150 1.00 0.00 H new ATOM 1418 N THR A 105 7.628 16.332 -12.446 1.00 0.00 N ATOM 1419 CA THR A 105 6.183 16.255 -12.575 1.00 0.00 C ATOM 1420 C THR A 105 5.818 15.464 -13.835 1.00 0.00 C ATOM 1421 O THR A 105 6.531 15.523 -14.836 1.00 0.00 O ATOM 1422 CB THR A 105 5.551 17.650 -12.522 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.165 17.518 -12.307 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.764 18.423 -13.817 1.00 0.00 C ATOM 0 H THR A 105 8.025 17.217 -12.762 1.00 0.00 H new ATOM 0 HA THR A 105 5.766 15.713 -11.727 1.00 0.00 H new ATOM 0 HB THR A 105 6.029 18.200 -11.711 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.678 17.924 -13.054 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.300 19.406 -13.735 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.832 18.541 -13.999 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.313 17.877 -14.645 1.00 0.00 H new ATOM 1432 N ASN A 106 4.702 14.731 -13.768 1.00 0.00 N ATOM 1433 CA ASN A 106 4.179 13.888 -14.838 1.00 0.00 C ATOM 1434 C ASN A 106 2.868 13.238 -14.390 1.00 0.00 C ATOM 1435 O ASN A 106 2.728 12.991 -13.171 1.00 0.00 O ATOM 1436 CB ASN A 106 5.201 12.825 -15.280 1.00 0.00 C ATOM 1437 CG ASN A 106 5.864 12.097 -14.109 1.00 0.00 C ATOM 1438 OD1 ASN A 106 5.222 11.310 -13.416 1.00 0.00 O ATOM 1439 ND2 ASN A 106 7.159 12.354 -13.893 1.00 0.00 N ATOM 1440 OXT ASN A 106 2.035 12.972 -15.285 1.00 0.00 O ATOM 0 H ASN A 106 4.118 14.711 -12.932 1.00 0.00 H new ATOM 0 HA ASN A 106 3.985 14.519 -15.705 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.702 12.095 -15.917 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.972 13.302 -15.885 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.651 11.890 -13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.655 13.014 -14.492 1.00 0.00 H new