USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 GLN : amide:sc= 0.7 K(o=0.7,f=-0.88) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 0.849 (180deg=0.615) USER MOD Single : A 32 CYS SG : rot -164:sc= -8.97! USER MOD Single : A 34 SER OG : rot 180:sc= 0.191 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.75 K(o=0.75,f=-3.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 44 SER OG : rot -32:sc= 0.622 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0872) USER MOD Single : A 54 ASN : amide:sc=-0.00727 X(o=-0.0073,f=-0.48) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -106:sc= 1.24 USER MOD Single : A 66 ASN : amide:sc= 0.623 K(o=0.62,f=-0.47) USER MOD Single : A 68 GLN : amide:sc= -0.788 K(o=-0.79,f=-2.6) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.86) USER MOD Single : A 92 LYS NZ :NH3+ 149:sc= 0.132! (180deg=-4.26!) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.318 2.923 -2.270 1.00 0.00 N ATOM 20 CA ASP A 23 -12.200 1.523 -2.596 1.00 0.00 C ATOM 21 C ASP A 23 -10.725 1.170 -2.526 1.00 0.00 C ATOM 22 O ASP A 23 -9.949 1.521 -3.409 1.00 0.00 O ATOM 23 CB ASP A 23 -12.849 1.290 -3.964 1.00 0.00 C ATOM 24 CG ASP A 23 -14.356 1.529 -3.919 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.757 2.539 -3.286 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.078 0.705 -4.516 1.00 0.00 O ATOM 0 HA ASP A 23 -12.722 0.866 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.396 1.955 -4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.651 0.269 -4.292 1.00 0.00 H new ATOM 31 N ALA A 24 -10.338 0.539 -1.419 1.00 0.00 N ATOM 32 CA ALA A 24 -8.955 0.285 -1.065 1.00 0.00 C ATOM 33 C ALA A 24 -8.133 -0.257 -2.229 1.00 0.00 C ATOM 34 O ALA A 24 -7.080 0.289 -2.560 1.00 0.00 O ATOM 35 CB ALA A 24 -8.919 -0.680 0.101 1.00 0.00 C ATOM 0 H ALA A 24 -11.000 0.183 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.500 1.236 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.883 -0.879 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.443 -0.243 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.404 -1.613 -0.184 1.00 0.00 H new ATOM 41 N GLU A 25 -8.620 -1.327 -2.862 1.00 0.00 N ATOM 42 CA GLU A 25 -7.920 -1.865 -4.010 1.00 0.00 C ATOM 43 C GLU A 25 -7.840 -0.798 -5.098 1.00 0.00 C ATOM 44 O GLU A 25 -6.760 -0.584 -5.621 1.00 0.00 O ATOM 45 CB GLU A 25 -8.516 -3.195 -4.484 1.00 0.00 C ATOM 46 CG GLU A 25 -9.668 -3.039 -5.477 1.00 0.00 C ATOM 47 CD GLU A 25 -10.251 -4.397 -5.841 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.664 -5.101 -4.894 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.249 -4.712 -7.049 1.00 0.00 O ATOM 0 H GLU A 25 -9.474 -1.821 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.899 -2.118 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.729 -3.790 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.870 -3.753 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.445 -2.408 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.314 -2.537 -6.377 1.00 0.00 H new ATOM 56 N ALA A 26 -8.940 -0.102 -5.409 1.00 0.00 N ATOM 57 CA ALA A 26 -8.992 0.904 -6.467 1.00 0.00 C ATOM 58 C ALA A 26 -7.937 1.982 -6.255 1.00 0.00 C ATOM 59 O ALA A 26 -7.241 2.340 -7.202 1.00 0.00 O ATOM 60 CB ALA A 26 -10.376 1.541 -6.574 1.00 0.00 C ATOM 0 H ALA A 26 -9.829 -0.226 -4.924 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.782 0.389 -7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.374 2.284 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.115 0.771 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.628 2.024 -5.630 1.00 0.00 H new ATOM 66 N VAL A 27 -7.806 2.486 -5.019 1.00 0.00 N ATOM 67 CA VAL A 27 -6.702 3.364 -4.649 1.00 0.00 C ATOM 68 C VAL A 27 -5.421 2.731 -5.164 1.00 0.00 C ATOM 69 O VAL A 27 -4.742 3.307 -6.004 1.00 0.00 O ATOM 70 CB VAL A 27 -6.646 3.617 -3.127 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.426 4.472 -2.750 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.911 4.330 -2.634 1.00 0.00 C ATOM 0 H VAL A 27 -8.459 2.295 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.843 4.346 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.569 2.640 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.414 4.633 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.514 3.957 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.484 5.434 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.841 4.494 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.009 5.290 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.784 3.714 -2.851 1.00 0.00 H new ATOM 82 N VAL A 28 -5.071 1.534 -4.710 1.00 0.00 N ATOM 83 CA VAL A 28 -3.735 1.046 -4.977 1.00 0.00 C ATOM 84 C VAL A 28 -3.518 0.730 -6.457 1.00 0.00 C ATOM 85 O VAL A 28 -2.498 1.112 -7.038 1.00 0.00 O ATOM 86 CB VAL A 28 -3.471 -0.076 -3.980 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.145 -0.801 -4.199 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.568 0.563 -2.586 1.00 0.00 C ATOM 0 H VAL A 28 -5.672 0.907 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.971 1.807 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.209 -0.867 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.031 -1.585 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.133 -1.246 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.323 -0.091 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.387 -0.196 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.823 1.353 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.563 0.986 -2.448 1.00 0.00 H new ATOM 98 N GLN A 29 -4.548 0.143 -7.059 1.00 0.00 N ATOM 99 CA GLN A 29 -4.780 -0.072 -8.475 1.00 0.00 C ATOM 100 C GLN A 29 -4.789 1.236 -9.289 1.00 0.00 C ATOM 101 O GLN A 29 -4.948 1.178 -10.505 1.00 0.00 O ATOM 102 CB GLN A 29 -6.088 -0.880 -8.620 1.00 0.00 C ATOM 103 CG GLN A 29 -5.945 -2.321 -8.104 1.00 0.00 C ATOM 104 CD GLN A 29 -4.971 -3.131 -8.953 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.852 -2.910 -10.154 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.238 -4.049 -8.336 1.00 0.00 N ATOM 0 H GLN A 29 -5.318 -0.231 -6.505 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.951 -0.639 -8.898 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.885 -0.378 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.386 -0.900 -9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.600 -2.305 -7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.921 -2.807 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.359 -4.211 -7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.554 -4.593 -8.862 1.00 0.00 H new ATOM 115 N GLN A 30 -4.581 2.405 -8.666 1.00 0.00 N ATOM 116 CA GLN A 30 -4.320 3.654 -9.377 1.00 0.00 C ATOM 117 C GLN A 30 -3.227 4.547 -8.758 1.00 0.00 C ATOM 118 O GLN A 30 -2.820 5.515 -9.399 1.00 0.00 O ATOM 119 CB GLN A 30 -5.639 4.422 -9.552 1.00 0.00 C ATOM 120 CG GLN A 30 -5.864 4.736 -11.033 1.00 0.00 C ATOM 121 CD GLN A 30 -7.120 5.570 -11.239 1.00 0.00 C ATOM 122 OE1 GLN A 30 -8.159 5.063 -11.645 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.035 6.869 -10.964 1.00 0.00 N ATOM 0 H GLN A 30 -4.590 2.506 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.909 3.373 -10.347 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.469 3.830 -9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.611 5.346 -8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.001 5.272 -11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.947 3.806 -11.595 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.156 7.263 -10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.849 7.471 -11.090 1.00 0.00 H new ATOM 132 N LYS A 31 -2.773 4.279 -7.528 1.00 0.00 N ATOM 133 CA LYS A 31 -1.893 5.153 -6.758 1.00 0.00 C ATOM 134 C LYS A 31 -0.593 4.448 -6.349 1.00 0.00 C ATOM 135 O LYS A 31 0.371 5.140 -6.027 1.00 0.00 O ATOM 136 CB LYS A 31 -2.676 5.737 -5.557 1.00 0.00 C ATOM 137 CG LYS A 31 -2.952 7.240 -5.704 1.00 0.00 C ATOM 138 CD LYS A 31 -4.126 7.664 -4.807 1.00 0.00 C ATOM 139 CE LYS A 31 -4.414 9.166 -4.951 1.00 0.00 C ATOM 140 NZ LYS A 31 -5.772 9.527 -4.489 1.00 0.00 N ATOM 0 H LYS A 31 -3.017 3.423 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.574 5.984 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.622 5.206 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.111 5.563 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.060 7.807 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.179 7.474 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.016 7.092 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.896 7.432 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.677 9.731 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.299 9.457 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.814 10.549 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.465 9.282 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.993 9.004 -3.617 1.00 0.00 H new ATOM 154 N CYS A 32 -0.539 3.108 -6.359 1.00 0.00 N ATOM 155 CA CYS A 32 0.663 2.359 -5.985 1.00 0.00 C ATOM 156 C CYS A 32 1.206 1.544 -7.154 1.00 0.00 C ATOM 157 O CYS A 32 2.424 1.504 -7.354 1.00 0.00 O ATOM 158 CB CYS A 32 0.418 1.452 -4.777 1.00 0.00 C ATOM 159 SG CYS A 32 -0.838 2.090 -3.628 1.00 0.00 S ATOM 0 H CYS A 32 -1.326 2.517 -6.626 1.00 0.00 H new ATOM 0 HA CYS A 32 1.413 3.099 -5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.109 0.468 -5.129 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.356 1.318 -4.238 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.748 1.461 -2.494 1.00 0.00 H new ATOM 164 N ILE A 33 0.320 0.900 -7.929 1.00 0.00 N ATOM 165 CA ILE A 33 0.722 0.113 -9.093 1.00 0.00 C ATOM 166 C ILE A 33 1.684 0.895 -9.992 1.00 0.00 C ATOM 167 O ILE A 33 2.600 0.319 -10.570 1.00 0.00 O ATOM 168 CB ILE A 33 -0.491 -0.398 -9.887 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.413 0.717 -10.409 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.261 -1.438 -9.067 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.287 0.219 -11.566 1.00 0.00 C ATOM 0 H ILE A 33 -0.686 0.913 -7.764 1.00 0.00 H new ATOM 0 HA ILE A 33 1.254 -0.761 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.097 -0.875 -10.784 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.048 1.076 -9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.812 1.563 -10.742 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.118 -1.792 -9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.606 -2.278 -8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.608 -0.985 -8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.928 1.030 -11.913 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.650 -0.117 -12.385 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.905 -0.611 -11.224 1.00 0.00 H new ATOM 183 N SER A 34 1.507 2.217 -10.040 1.00 0.00 N ATOM 184 CA SER A 34 2.377 3.195 -10.658 1.00 0.00 C ATOM 185 C SER A 34 3.869 2.858 -10.523 1.00 0.00 C ATOM 186 O SER A 34 4.620 3.085 -11.468 1.00 0.00 O ATOM 187 CB SER A 34 2.035 4.550 -10.029 1.00 0.00 C ATOM 188 OG SER A 34 0.645 4.585 -9.725 1.00 0.00 O ATOM 0 H SER A 34 0.690 2.654 -9.614 1.00 0.00 H new ATOM 0 HA SER A 34 2.205 3.208 -11.734 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.622 4.703 -9.123 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.290 5.358 -10.715 1.00 0.00 H new ATOM 0 HG SER A 34 0.420 5.449 -9.321 1.00 0.00 H new ATOM 194 N CYS A 35 4.290 2.328 -9.364 1.00 0.00 N ATOM 195 CA CYS A 35 5.643 1.813 -9.153 1.00 0.00 C ATOM 196 C CYS A 35 5.609 0.311 -8.840 1.00 0.00 C ATOM 197 O CYS A 35 6.432 -0.449 -9.349 1.00 0.00 O ATOM 198 CB CYS A 35 6.374 2.616 -8.062 1.00 0.00 C ATOM 199 SG CYS A 35 6.081 4.404 -8.277 1.00 0.00 S ATOM 0 H CYS A 35 3.692 2.246 -8.542 1.00 0.00 H new ATOM 0 HA CYS A 35 6.210 1.939 -10.076 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.028 2.301 -7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.443 2.409 -8.105 1.00 0.00 H new ATOM 0 HG CYS A 35 6.705 5.061 -7.345 1.00 0.00 H new ATOM 204 N HIS A 36 4.666 -0.134 -8.004 1.00 0.00 N ATOM 205 CA HIS A 36 4.608 -1.509 -7.513 1.00 0.00 C ATOM 206 C HIS A 36 4.122 -2.530 -8.560 1.00 0.00 C ATOM 207 O HIS A 36 4.230 -3.735 -8.319 1.00 0.00 O ATOM 208 CB HIS A 36 3.782 -1.541 -6.222 1.00 0.00 C ATOM 209 CG HIS A 36 4.492 -0.946 -5.027 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.389 -1.614 -4.219 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.327 0.316 -4.508 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.746 -0.765 -3.241 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.131 0.421 -3.366 1.00 0.00 N ATOM 0 H HIS A 36 3.916 0.458 -7.647 1.00 0.00 H new ATOM 0 HA HIS A 36 5.627 -1.831 -7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.850 -1.000 -6.385 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.516 -2.574 -5.997 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.719 -2.571 -4.341 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.690 1.090 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.442 -1.007 -2.452 1.00 0.00 H new ATOM 221 N GLY A 37 3.644 -2.086 -9.728 1.00 0.00 N ATOM 222 CA GLY A 37 3.450 -2.916 -10.913 1.00 0.00 C ATOM 223 C GLY A 37 2.009 -2.898 -11.417 1.00 0.00 C ATOM 224 O GLY A 37 1.655 -2.089 -12.270 1.00 0.00 O ATOM 0 H GLY A 37 3.376 -1.113 -9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.112 -2.569 -11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.737 -3.942 -10.684 1.00 0.00 H new ATOM 228 N GLY A 38 1.189 -3.829 -10.926 1.00 0.00 N ATOM 229 CA GLY A 38 -0.180 -4.027 -11.393 1.00 0.00 C ATOM 230 C GLY A 38 -0.948 -4.831 -10.352 1.00 0.00 C ATOM 231 O GLY A 38 -1.913 -4.356 -9.767 1.00 0.00 O ATOM 0 H GLY A 38 1.462 -4.473 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.664 -3.065 -11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.180 -4.551 -12.349 1.00 0.00 H new ATOM 235 N ASP A 39 -0.455 -6.030 -10.054 1.00 0.00 N ATOM 236 CA ASP A 39 -0.961 -6.870 -8.974 1.00 0.00 C ATOM 237 C ASP A 39 -0.271 -6.545 -7.643 1.00 0.00 C ATOM 238 O ASP A 39 -0.484 -7.242 -6.660 1.00 0.00 O ATOM 239 CB ASP A 39 -0.799 -8.342 -9.362 1.00 0.00 C ATOM 240 CG ASP A 39 -1.642 -8.689 -10.579 1.00 0.00 C ATOM 241 OD1 ASP A 39 -2.823 -9.041 -10.373 1.00 0.00 O ATOM 242 OD2 ASP A 39 -1.081 -8.576 -11.691 1.00 0.00 O ATOM 0 H ASP A 39 0.320 -6.452 -10.565 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.021 -6.666 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.250 -8.552 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.089 -8.975 -8.524 1.00 0.00 H new ATOM 247 N LEU A 40 0.611 -5.535 -7.619 1.00 0.00 N ATOM 248 CA LEU A 40 1.479 -5.186 -6.496 1.00 0.00 C ATOM 249 C LEU A 40 2.501 -6.290 -6.225 1.00 0.00 C ATOM 250 O LEU A 40 3.024 -6.428 -5.116 1.00 0.00 O ATOM 251 CB LEU A 40 0.697 -4.775 -5.237 1.00 0.00 C ATOM 252 CG LEU A 40 -0.268 -3.590 -5.398 1.00 0.00 C ATOM 253 CD1 LEU A 40 0.411 -2.371 -6.026 1.00 0.00 C ATOM 254 CD2 LEU A 40 -1.545 -3.942 -6.161 1.00 0.00 C ATOM 0 H LEU A 40 0.741 -4.915 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 40 2.036 -4.296 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.127 -5.637 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.413 -4.530 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.566 -3.331 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.311 -1.560 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.238 -2.049 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.790 -2.634 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.179 -3.059 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.287 -4.290 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.081 -4.729 -5.630 1.00 0.00 H new ATOM 266 N THR A 41 2.824 -7.019 -7.293 1.00 0.00 N ATOM 267 CA THR A 41 3.802 -8.078 -7.377 1.00 0.00 C ATOM 268 C THR A 41 5.228 -7.525 -7.472 1.00 0.00 C ATOM 269 O THR A 41 6.172 -8.307 -7.407 1.00 0.00 O ATOM 270 CB THR A 41 3.424 -8.908 -8.611 1.00 0.00 C ATOM 271 OG1 THR A 41 2.943 -8.030 -9.620 1.00 0.00 O ATOM 272 CG2 THR A 41 2.305 -9.890 -8.245 1.00 0.00 C ATOM 0 H THR A 41 2.364 -6.863 -8.190 1.00 0.00 H new ATOM 0 HA THR A 41 3.794 -8.694 -6.478 1.00 0.00 H new ATOM 0 HB THR A 41 4.296 -9.458 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.699 -8.548 -10.415 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.037 -10.479 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.649 -10.555 -7.452 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.432 -9.335 -7.900 1.00 0.00 H new ATOM 280 N GLY A 42 5.399 -6.201 -7.574 1.00 0.00 N ATOM 281 CA GLY A 42 6.681 -5.547 -7.385 1.00 0.00 C ATOM 282 C GLY A 42 7.414 -5.356 -8.708 1.00 0.00 C ATOM 283 O GLY A 42 8.139 -6.248 -9.144 1.00 0.00 O ATOM 0 H GLY A 42 4.639 -5.556 -7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.529 -4.578 -6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.297 -6.141 -6.710 1.00 0.00 H new ATOM 287 N ALA A 43 7.224 -4.197 -9.346 1.00 0.00 N ATOM 288 CA ALA A 43 7.897 -3.847 -10.591 1.00 0.00 C ATOM 289 C ALA A 43 9.082 -2.914 -10.320 1.00 0.00 C ATOM 290 O ALA A 43 10.225 -3.360 -10.282 1.00 0.00 O ATOM 291 CB ALA A 43 6.883 -3.245 -11.569 1.00 0.00 C ATOM 0 H ALA A 43 6.592 -3.472 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 43 8.309 -4.744 -11.053 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.386 -2.983 -12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.098 -3.973 -11.773 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.442 -2.350 -11.131 1.00 0.00 H new ATOM 297 N SER A 44 8.815 -1.619 -10.124 1.00 0.00 N ATOM 298 CA SER A 44 9.826 -0.606 -9.820 1.00 0.00 C ATOM 299 C SER A 44 10.023 -0.454 -8.307 1.00 0.00 C ATOM 300 O SER A 44 10.759 0.432 -7.874 1.00 0.00 O ATOM 301 CB SER A 44 9.413 0.736 -10.435 1.00 0.00 C ATOM 302 OG SER A 44 10.472 1.667 -10.319 1.00 0.00 O ATOM 0 H SER A 44 7.870 -1.240 -10.174 1.00 0.00 H new ATOM 0 HA SER A 44 10.774 -0.928 -10.251 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.151 0.599 -11.484 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.525 1.118 -9.932 1.00 0.00 H new ATOM 0 HG SER A 44 10.983 1.481 -9.504 1.00 0.00 H new ATOM 308 N ALA A 45 9.308 -1.250 -7.516 1.00 0.00 N ATOM 309 CA ALA A 45 9.303 -1.255 -6.068 1.00 0.00 C ATOM 310 C ALA A 45 9.102 -2.718 -5.673 1.00 0.00 C ATOM 311 O ALA A 45 8.639 -3.491 -6.514 1.00 0.00 O ATOM 312 CB ALA A 45 8.144 -0.372 -5.608 1.00 0.00 C ATOM 0 H ALA A 45 8.677 -1.953 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 45 10.216 -0.868 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.111 -0.353 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.287 0.641 -5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.206 -0.773 -5.993 1.00 0.00 H new ATOM 318 N PRO A 46 9.440 -3.131 -4.445 1.00 0.00 N ATOM 319 CA PRO A 46 9.231 -4.498 -4.009 1.00 0.00 C ATOM 320 C PRO A 46 7.743 -4.858 -4.010 1.00 0.00 C ATOM 321 O PRO A 46 6.865 -3.991 -4.034 1.00 0.00 O ATOM 322 CB PRO A 46 9.863 -4.603 -2.617 1.00 0.00 C ATOM 323 CG PRO A 46 9.897 -3.159 -2.121 1.00 0.00 C ATOM 324 CD PRO A 46 10.059 -2.340 -3.401 1.00 0.00 C ATOM 0 HA PRO A 46 9.696 -5.213 -4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.273 -5.239 -1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.863 -5.033 -2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.982 -2.896 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.724 -2.992 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.578 -1.366 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.111 -2.156 -3.619 1.00 0.00 H new ATOM 332 N ALA A 47 7.472 -6.164 -4.004 1.00 0.00 N ATOM 333 CA ALA A 47 6.126 -6.703 -4.015 1.00 0.00 C ATOM 334 C ALA A 47 5.448 -6.369 -2.694 1.00 0.00 C ATOM 335 O ALA A 47 5.900 -6.852 -1.655 1.00 0.00 O ATOM 336 CB ALA A 47 6.189 -8.221 -4.203 1.00 0.00 C ATOM 0 H ALA A 47 8.197 -6.881 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 47 5.555 -6.267 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.178 -8.629 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.681 -8.450 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.753 -8.666 -3.383 1.00 0.00 H new ATOM 342 N ILE A 48 4.374 -5.580 -2.721 1.00 0.00 N ATOM 343 CA ILE A 48 3.633 -5.251 -1.512 1.00 0.00 C ATOM 344 C ILE A 48 2.298 -5.979 -1.444 1.00 0.00 C ATOM 345 O ILE A 48 1.686 -5.959 -0.386 1.00 0.00 O ATOM 346 CB ILE A 48 3.559 -3.736 -1.236 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.868 -2.908 -2.329 1.00 0.00 C ATOM 348 CG2 ILE A 48 4.984 -3.218 -1.009 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.341 -2.911 -2.184 1.00 0.00 C ATOM 0 H ILE A 48 4.000 -5.158 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 48 4.209 -5.637 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 48 2.932 -3.611 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.232 -1.882 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.139 -3.304 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.954 -2.146 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.426 -3.732 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.586 -3.407 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.899 -2.312 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.971 -3.934 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.066 -2.489 -1.217 1.00 0.00 H new ATOM 361 N ASP A 49 1.878 -6.697 -2.493 1.00 0.00 N ATOM 362 CA ASP A 49 0.709 -7.574 -2.434 1.00 0.00 C ATOM 363 C ASP A 49 0.703 -8.397 -1.140 1.00 0.00 C ATOM 364 O ASP A 49 -0.245 -8.373 -0.361 1.00 0.00 O ATOM 365 CB ASP A 49 0.717 -8.497 -3.658 1.00 0.00 C ATOM 366 CG ASP A 49 -0.487 -9.427 -3.668 1.00 0.00 C ATOM 367 OD1 ASP A 49 -1.552 -9.008 -4.175 1.00 0.00 O ATOM 368 OD2 ASP A 49 -0.344 -10.555 -3.155 1.00 0.00 O ATOM 0 H ASP A 49 2.339 -6.684 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.195 -6.965 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.720 -7.896 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.633 -9.087 -3.663 1.00 0.00 H new ATOM 373 N LYS A 50 1.825 -9.055 -0.852 1.00 0.00 N ATOM 374 CA LYS A 50 1.927 -9.952 0.289 1.00 0.00 C ATOM 375 C LYS A 50 2.278 -9.208 1.575 1.00 0.00 C ATOM 376 O LYS A 50 2.496 -9.845 2.600 1.00 0.00 O ATOM 377 CB LYS A 50 2.868 -11.128 -0.014 1.00 0.00 C ATOM 378 CG LYS A 50 4.367 -10.905 0.235 1.00 0.00 C ATOM 379 CD LYS A 50 4.978 -9.748 -0.567 1.00 0.00 C ATOM 380 CE LYS A 50 6.510 -9.867 -0.593 1.00 0.00 C ATOM 381 NZ LYS A 50 6.966 -10.924 -1.520 1.00 0.00 N ATOM 0 H LYS A 50 2.681 -8.980 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 50 0.942 -10.384 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.548 -11.980 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.736 -11.406 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.522 -10.716 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.904 -11.822 -0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.589 -9.757 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.688 -8.796 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.943 -8.912 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.874 -10.083 0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.986 -10.819 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.779 -11.857 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.454 -10.840 -2.421 1.00 0.00 H new ATOM 395 N ALA A 51 2.406 -7.877 1.529 1.00 0.00 N ATOM 396 CA ALA A 51 2.909 -7.099 2.647 1.00 0.00 C ATOM 397 C ALA A 51 2.135 -7.408 3.920 1.00 0.00 C ATOM 398 O ALA A 51 2.765 -7.566 4.951 1.00 0.00 O ATOM 399 CB ALA A 51 2.880 -5.609 2.330 1.00 0.00 C ATOM 0 H ALA A 51 2.162 -7.317 0.712 1.00 0.00 H new ATOM 0 HA ALA A 51 3.948 -7.383 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.262 -5.048 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.502 -5.410 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.855 -5.301 2.122 1.00 0.00 H new ATOM 405 N GLY A 52 0.811 -7.566 3.851 1.00 0.00 N ATOM 406 CA GLY A 52 0.001 -7.950 5.003 1.00 0.00 C ATOM 407 C GLY A 52 0.495 -9.215 5.722 1.00 0.00 C ATOM 408 O GLY A 52 0.209 -9.410 6.900 1.00 0.00 O ATOM 0 H GLY A 52 0.273 -7.431 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.016 -7.124 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.026 -8.109 4.675 1.00 0.00 H new ATOM 412 N ALA A 53 1.192 -10.115 5.017 1.00 0.00 N ATOM 413 CA ALA A 53 1.812 -11.288 5.623 1.00 0.00 C ATOM 414 C ALA A 53 3.022 -10.874 6.461 1.00 0.00 C ATOM 415 O ALA A 53 3.229 -11.380 7.560 1.00 0.00 O ATOM 416 CB ALA A 53 2.264 -12.283 4.544 1.00 0.00 C ATOM 0 H ALA A 53 1.339 -10.046 4.010 1.00 0.00 H new ATOM 0 HA ALA A 53 1.071 -11.767 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.724 -13.150 5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.401 -12.603 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.989 -11.803 3.887 1.00 0.00 H new ATOM 422 N ASN A 54 3.854 -9.995 5.898 1.00 0.00 N ATOM 423 CA ASN A 54 5.146 -9.618 6.456 1.00 0.00 C ATOM 424 C ASN A 54 4.985 -8.576 7.559 1.00 0.00 C ATOM 425 O ASN A 54 5.682 -8.631 8.568 1.00 0.00 O ATOM 426 CB ASN A 54 6.047 -9.031 5.359 1.00 0.00 C ATOM 427 CG ASN A 54 6.485 -10.061 4.322 1.00 0.00 C ATOM 428 OD1 ASN A 54 5.677 -10.574 3.554 1.00 0.00 O ATOM 429 ND2 ASN A 54 7.779 -10.361 4.259 1.00 0.00 N ATOM 0 H ASN A 54 3.640 -9.517 5.023 1.00 0.00 H new ATOM 0 HA ASN A 54 5.599 -10.517 6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.516 -8.223 4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.931 -8.592 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.115 -11.028 3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.436 -9.924 4.906 1.00 0.00 H new ATOM 436 N TYR A 55 4.121 -7.593 7.306 1.00 0.00 N ATOM 437 CA TYR A 55 3.932 -6.374 8.078 1.00 0.00 C ATOM 438 C TYR A 55 2.440 -6.232 8.360 1.00 0.00 C ATOM 439 O TYR A 55 1.633 -6.808 7.630 1.00 0.00 O ATOM 440 CB TYR A 55 4.398 -5.149 7.270 1.00 0.00 C ATOM 441 CG TYR A 55 5.761 -5.235 6.611 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.847 -5.826 7.282 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.957 -4.659 5.340 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.088 -5.954 6.635 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.208 -4.759 4.707 1.00 0.00 C ATOM 446 CZ TYR A 55 8.265 -5.427 5.345 1.00 0.00 C ATOM 447 OH TYR A 55 9.447 -5.605 4.692 1.00 0.00 O ATOM 0 H TYR A 55 3.495 -7.634 6.502 1.00 0.00 H new ATOM 0 HA TYR A 55 4.510 -6.428 9.000 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.658 -4.954 6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.397 -4.285 7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.727 -6.181 8.295 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.145 -4.140 4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.906 -6.457 7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.356 -4.322 3.730 1.00 0.00 H new ATOM 0 HH TYR A 55 9.401 -5.179 3.811 1.00 0.00 H new ATOM 457 N SER A 56 2.061 -5.461 9.380 1.00 0.00 N ATOM 458 CA SER A 56 0.649 -5.285 9.724 1.00 0.00 C ATOM 459 C SER A 56 0.091 -3.956 9.201 1.00 0.00 C ATOM 460 O SER A 56 0.834 -3.117 8.680 1.00 0.00 O ATOM 461 CB SER A 56 0.450 -5.472 11.227 1.00 0.00 C ATOM 462 OG SER A 56 -0.932 -5.565 11.522 1.00 0.00 O ATOM 0 H SER A 56 2.709 -4.950 9.980 1.00 0.00 H new ATOM 0 HA SER A 56 0.067 -6.057 9.220 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.964 -6.373 11.561 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.891 -4.635 11.768 1.00 0.00 H new ATOM 0 HG SER A 56 -1.233 -4.734 11.945 1.00 0.00 H new ATOM 468 N GLU A 57 -1.232 -3.770 9.315 1.00 0.00 N ATOM 469 CA GLU A 57 -1.894 -2.588 8.784 1.00 0.00 C ATOM 470 C GLU A 57 -1.272 -1.317 9.370 1.00 0.00 C ATOM 471 O GLU A 57 -1.016 -0.390 8.613 1.00 0.00 O ATOM 472 CB GLU A 57 -3.431 -2.634 8.893 1.00 0.00 C ATOM 473 CG GLU A 57 -3.984 -2.747 10.321 1.00 0.00 C ATOM 474 CD GLU A 57 -4.959 -1.612 10.614 1.00 0.00 C ATOM 475 OE1 GLU A 57 -4.475 -0.461 10.683 1.00 0.00 O ATOM 476 OE2 GLU A 57 -6.168 -1.909 10.720 1.00 0.00 O ATOM 0 H GLU A 57 -1.860 -4.431 9.773 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.715 -2.572 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.839 -1.734 8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.795 -3.481 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.487 -3.706 10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.163 -2.721 11.037 1.00 0.00 H new ATOM 483 N GLU A 58 -0.937 -1.284 10.664 1.00 0.00 N ATOM 484 CA GLU A 58 -0.281 -0.137 11.276 1.00 0.00 C ATOM 485 C GLU A 58 0.988 0.260 10.507 1.00 0.00 C ATOM 486 O GLU A 58 1.169 1.420 10.143 1.00 0.00 O ATOM 487 CB GLU A 58 -0.023 -0.377 12.777 1.00 0.00 C ATOM 488 CG GLU A 58 0.656 -1.702 13.171 1.00 0.00 C ATOM 489 CD GLU A 58 -0.329 -2.820 13.486 1.00 0.00 C ATOM 490 OE1 GLU A 58 -1.084 -3.182 12.558 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.285 -3.323 14.626 1.00 0.00 O ATOM 0 H GLU A 58 -1.115 -2.053 11.310 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.957 0.716 11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.593 0.442 13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.979 -0.319 13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.309 -2.022 12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.290 -1.531 14.041 1.00 0.00 H new ATOM 498 N GLU A 59 1.859 -0.708 10.225 1.00 0.00 N ATOM 499 CA GLU A 59 3.124 -0.477 9.550 1.00 0.00 C ATOM 500 C GLU A 59 2.875 0.046 8.137 1.00 0.00 C ATOM 501 O GLU A 59 3.477 1.025 7.700 1.00 0.00 O ATOM 502 CB GLU A 59 3.908 -1.792 9.513 1.00 0.00 C ATOM 503 CG GLU A 59 4.190 -2.306 10.928 1.00 0.00 C ATOM 504 CD GLU A 59 5.032 -3.562 10.872 1.00 0.00 C ATOM 505 OE1 GLU A 59 4.418 -4.597 10.531 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.247 -3.459 11.141 1.00 0.00 O ATOM 0 H GLU A 59 1.698 -1.686 10.465 1.00 0.00 H new ATOM 0 HA GLU A 59 3.704 0.273 10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.343 -2.540 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.849 -1.643 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.707 -1.539 11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.251 -2.512 11.441 1.00 0.00 H new ATOM 513 N ILE A 60 1.981 -0.628 7.414 1.00 0.00 N ATOM 514 CA ILE A 60 1.704 -0.305 6.024 1.00 0.00 C ATOM 515 C ILE A 60 1.100 1.101 5.970 1.00 0.00 C ATOM 516 O ILE A 60 1.558 1.940 5.200 1.00 0.00 O ATOM 517 CB ILE A 60 0.828 -1.396 5.375 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.555 -2.752 5.418 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.483 -1.031 3.924 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.668 -3.957 5.093 1.00 0.00 C ATOM 0 H ILE A 60 1.434 -1.408 7.777 1.00 0.00 H new ATOM 0 HA ILE A 60 2.619 -0.292 5.431 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.101 -1.469 5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.386 -2.727 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.984 -2.889 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.135 -1.816 3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.063 -0.088 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.402 -0.930 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.261 -4.870 5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.149 -4.012 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.260 -3.848 4.088 1.00 0.00 H new ATOM 532 N LEU A 61 0.114 1.370 6.827 1.00 0.00 N ATOM 533 CA LEU A 61 -0.510 2.671 7.022 1.00 0.00 C ATOM 534 C LEU A 61 0.549 3.742 7.209 1.00 0.00 C ATOM 535 O LEU A 61 0.591 4.714 6.447 1.00 0.00 O ATOM 536 CB LEU A 61 -1.434 2.609 8.248 1.00 0.00 C ATOM 537 CG LEU A 61 -2.220 3.894 8.542 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.035 4.338 7.328 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.171 3.653 9.718 1.00 0.00 C ATOM 0 H LEU A 61 -0.287 0.651 7.430 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.098 2.927 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.143 1.793 8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.833 2.362 9.123 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.504 4.679 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.580 5.251 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.365 4.527 6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.742 3.554 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.729 4.565 9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.866 2.852 9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.595 3.370 10.599 1.00 0.00 H new ATOM 551 N ASP A 62 1.410 3.555 8.214 1.00 0.00 N ATOM 552 CA ASP A 62 2.445 4.537 8.493 1.00 0.00 C ATOM 553 C ASP A 62 3.282 4.722 7.232 1.00 0.00 C ATOM 554 O ASP A 62 3.500 5.849 6.803 1.00 0.00 O ATOM 555 CB ASP A 62 3.297 4.164 9.721 1.00 0.00 C ATOM 556 CG ASP A 62 3.200 5.206 10.836 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.457 6.396 10.544 1.00 0.00 O ATOM 558 OD2 ASP A 62 2.875 4.801 11.970 1.00 0.00 O ATOM 0 H ASP A 62 1.407 2.745 8.834 1.00 0.00 H new ATOM 0 HA ASP A 62 1.980 5.487 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.974 3.196 10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.338 4.056 9.418 1.00 0.00 H new ATOM 563 N ILE A 63 3.689 3.636 6.576 1.00 0.00 N ATOM 564 CA ILE A 63 4.524 3.741 5.382 1.00 0.00 C ATOM 565 C ILE A 63 3.820 4.539 4.280 1.00 0.00 C ATOM 566 O ILE A 63 4.432 5.383 3.634 1.00 0.00 O ATOM 567 CB ILE A 63 4.979 2.342 4.913 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.237 1.951 5.707 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.223 2.282 3.399 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.779 0.561 5.360 1.00 0.00 C ATOM 0 H ILE A 63 3.456 2.681 6.849 1.00 0.00 H new ATOM 0 HA ILE A 63 5.425 4.300 5.634 1.00 0.00 H new ATOM 0 HB ILE A 63 4.181 1.625 5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.016 2.691 5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.009 1.986 6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.541 1.277 3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.302 2.530 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.000 2.997 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.666 0.356 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.017 -0.190 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.040 0.526 4.302 1.00 0.00 H new ATOM 582 N ILE A 64 2.536 4.292 4.044 1.00 0.00 N ATOM 583 CA ILE A 64 1.786 5.003 3.019 1.00 0.00 C ATOM 584 C ILE A 64 1.787 6.502 3.331 1.00 0.00 C ATOM 585 O ILE A 64 2.058 7.336 2.463 1.00 0.00 O ATOM 586 CB ILE A 64 0.372 4.418 2.945 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.445 2.971 2.446 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.518 5.226 1.998 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.748 2.172 2.962 1.00 0.00 C ATOM 0 H ILE A 64 1.990 3.598 4.555 1.00 0.00 H new ATOM 0 HA ILE A 64 2.249 4.879 2.040 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.062 4.456 3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.458 2.955 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.373 2.510 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.514 4.784 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.588 6.254 2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.087 5.216 0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.683 1.146 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.742 2.173 4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.672 2.625 2.604 1.00 0.00 H new ATOM 601 N LEU A 65 1.493 6.838 4.586 1.00 0.00 N ATOM 602 CA LEU A 65 1.447 8.216 5.039 1.00 0.00 C ATOM 603 C LEU A 65 2.832 8.880 4.980 1.00 0.00 C ATOM 604 O LEU A 65 2.938 10.041 4.592 1.00 0.00 O ATOM 605 CB LEU A 65 0.891 8.246 6.467 1.00 0.00 C ATOM 606 CG LEU A 65 -0.568 7.765 6.591 1.00 0.00 C ATOM 607 CD1 LEU A 65 -0.850 7.374 8.044 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.529 8.881 6.200 1.00 0.00 C ATOM 0 H LEU A 65 1.280 6.156 5.314 1.00 0.00 H new ATOM 0 HA LEU A 65 0.796 8.785 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.521 7.624 7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.959 9.264 6.849 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.711 6.911 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.881 7.033 8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.175 6.572 8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.695 8.238 8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.556 8.526 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.380 9.737 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.340 9.179 5.169 1.00 0.00 H new ATOM 620 N ASN A 66 3.876 8.160 5.401 1.00 0.00 N ATOM 621 CA ASN A 66 5.213 8.688 5.678 1.00 0.00 C ATOM 622 C ASN A 66 6.105 8.617 4.449 1.00 0.00 C ATOM 623 O ASN A 66 6.766 9.590 4.102 1.00 0.00 O ATOM 624 CB ASN A 66 5.905 7.869 6.781 1.00 0.00 C ATOM 625 CG ASN A 66 5.441 8.223 8.188 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.187 8.804 8.970 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.218 7.835 8.516 1.00 0.00 N ATOM 0 H ASN A 66 3.809 7.155 5.564 1.00 0.00 H new ATOM 0 HA ASN A 66 5.077 9.724 5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.722 6.809 6.603 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.982 8.022 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.860 8.016 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.634 7.355 7.831 1.00 0.00 H new ATOM 634 N GLY A 67 6.174 7.428 3.852 1.00 0.00 N ATOM 635 CA GLY A 67 7.167 7.025 2.878 1.00 0.00 C ATOM 636 C GLY A 67 7.839 5.745 3.366 1.00 0.00 C ATOM 637 O GLY A 67 7.374 5.098 4.303 1.00 0.00 O ATOM 0 H GLY A 67 5.501 6.688 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.699 6.860 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.908 7.814 2.745 1.00 0.00 H new ATOM 641 N GLN A 68 8.950 5.389 2.732 1.00 0.00 N ATOM 642 CA GLN A 68 9.820 4.263 3.062 1.00 0.00 C ATOM 643 C GLN A 68 11.201 4.748 2.581 1.00 0.00 C ATOM 644 O GLN A 68 11.261 5.740 1.853 1.00 0.00 O ATOM 645 CB GLN A 68 9.281 2.978 2.368 1.00 0.00 C ATOM 646 CG GLN A 68 10.280 2.264 1.470 1.00 0.00 C ATOM 647 CD GLN A 68 11.249 1.327 2.199 1.00 0.00 C ATOM 648 OE1 GLN A 68 12.458 1.458 2.067 1.00 0.00 O ATOM 649 NE2 GLN A 68 10.745 0.387 2.987 1.00 0.00 N ATOM 0 H GLN A 68 9.290 5.910 1.924 1.00 0.00 H new ATOM 0 HA GLN A 68 9.869 3.985 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.945 2.282 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.407 3.244 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.730 1.687 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.859 3.012 0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.734 0.292 3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.368 -0.241 3.495 1.00 0.00 H new ATOM 658 N GLY A 69 12.302 4.086 2.946 1.00 0.00 N ATOM 659 CA GLY A 69 13.649 4.416 2.483 1.00 0.00 C ATOM 660 C GLY A 69 13.819 4.263 0.964 1.00 0.00 C ATOM 661 O GLY A 69 14.496 3.353 0.499 1.00 0.00 O ATOM 0 H GLY A 69 12.280 3.291 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.883 5.442 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.369 3.773 2.990 1.00 0.00 H new ATOM 665 N GLY A 70 13.223 5.184 0.202 1.00 0.00 N ATOM 666 CA GLY A 70 13.176 5.202 -1.254 1.00 0.00 C ATOM 667 C GLY A 70 11.801 5.625 -1.795 1.00 0.00 C ATOM 668 O GLY A 70 11.690 5.964 -2.971 1.00 0.00 O ATOM 0 H GLY A 70 12.734 5.980 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.937 5.886 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.423 4.211 -1.634 1.00 0.00 H new ATOM 672 N MET A 71 10.750 5.615 -0.964 1.00 0.00 N ATOM 673 CA MET A 71 9.377 5.905 -1.365 1.00 0.00 C ATOM 674 C MET A 71 8.949 7.224 -0.712 1.00 0.00 C ATOM 675 O MET A 71 9.150 7.365 0.494 1.00 0.00 O ATOM 676 CB MET A 71 8.503 4.755 -0.867 1.00 0.00 C ATOM 677 CG MET A 71 7.021 4.873 -1.225 1.00 0.00 C ATOM 678 SD MET A 71 6.050 3.537 -0.483 1.00 0.00 S ATOM 679 CE MET A 71 4.545 4.430 -0.019 1.00 0.00 C ATOM 0 H MET A 71 10.839 5.399 0.029 1.00 0.00 H new ATOM 0 HA MET A 71 9.283 6.001 -2.447 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.888 3.821 -1.277 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.596 4.690 0.217 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.639 5.835 -0.883 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.905 4.850 -2.309 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.844 3.741 0.453 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.796 5.228 0.680 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.087 4.859 -0.910 1.00 0.00 H new ATOM 689 N PRO A 72 8.352 8.168 -1.463 1.00 0.00 N ATOM 690 CA PRO A 72 8.108 9.527 -0.993 1.00 0.00 C ATOM 691 C PRO A 72 7.035 9.614 0.091 1.00 0.00 C ATOM 692 O PRO A 72 7.159 10.418 1.009 1.00 0.00 O ATOM 693 CB PRO A 72 7.737 10.339 -2.239 1.00 0.00 C ATOM 694 CG PRO A 72 7.163 9.292 -3.192 1.00 0.00 C ATOM 695 CD PRO A 72 7.986 8.044 -2.866 1.00 0.00 C ATOM 0 HA PRO A 72 8.999 9.923 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.007 11.115 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.607 10.837 -2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.099 9.130 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.276 9.590 -4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.407 7.137 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.872 7.984 -3.498 1.00 0.00 H new ATOM 703 N GLY A 73 5.976 8.813 -0.023 1.00 0.00 N ATOM 704 CA GLY A 73 4.889 8.799 0.937 1.00 0.00 C ATOM 705 C GLY A 73 3.879 9.908 0.679 1.00 0.00 C ATOM 706 O GLY A 73 4.038 10.740 -0.213 1.00 0.00 O ATOM 0 H GLY A 73 5.854 8.154 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.384 7.834 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.294 8.906 1.943 1.00 0.00 H new ATOM 710 N GLY A 74 2.785 9.864 1.436 1.00 0.00 N ATOM 711 CA GLY A 74 1.701 10.839 1.371 1.00 0.00 C ATOM 712 C GLY A 74 0.789 10.626 0.160 1.00 0.00 C ATOM 713 O GLY A 74 -0.207 11.327 0.002 1.00 0.00 O ATOM 0 H GLY A 74 2.625 9.132 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.107 10.778 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.123 11.843 1.331 1.00 0.00 H new ATOM 717 N ILE A 75 1.113 9.632 -0.673 1.00 0.00 N ATOM 718 CA ILE A 75 0.402 9.226 -1.876 1.00 0.00 C ATOM 719 C ILE A 75 -1.074 8.944 -1.574 1.00 0.00 C ATOM 720 O ILE A 75 -1.938 9.145 -2.428 1.00 0.00 O ATOM 721 CB ILE A 75 1.135 7.986 -2.420 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.541 8.371 -2.924 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.368 7.282 -3.544 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.552 7.267 -2.615 1.00 0.00 C ATOM 0 H ILE A 75 1.937 9.054 -0.507 1.00 0.00 H new ATOM 0 HA ILE A 75 0.400 10.019 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 75 1.212 7.286 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.510 8.551 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.858 9.302 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.936 6.416 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.603 6.955 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.225 7.973 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.536 7.562 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.598 7.107 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.244 6.344 -3.106 1.00 0.00 H new ATOM 736 N ALA A 76 -1.357 8.468 -0.360 1.00 0.00 N ATOM 737 CA ALA A 76 -2.692 8.249 0.156 1.00 0.00 C ATOM 738 C ALA A 76 -2.649 8.725 1.607 1.00 0.00 C ATOM 739 O ALA A 76 -1.635 8.522 2.272 1.00 0.00 O ATOM 740 CB ALA A 76 -3.029 6.759 0.014 1.00 0.00 C ATOM 0 H ALA A 76 -0.629 8.218 0.309 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.472 8.792 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.032 6.575 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.985 6.475 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.309 6.168 0.580 1.00 0.00 H new ATOM 746 N LYS A 77 -3.701 9.405 2.077 1.00 0.00 N ATOM 747 CA LYS A 77 -3.814 9.968 3.416 1.00 0.00 C ATOM 748 C LYS A 77 -5.254 9.789 3.903 1.00 0.00 C ATOM 749 O LYS A 77 -6.168 9.664 3.089 1.00 0.00 O ATOM 750 CB LYS A 77 -3.411 11.455 3.388 1.00 0.00 C ATOM 751 CG LYS A 77 -1.885 11.666 3.425 1.00 0.00 C ATOM 752 CD LYS A 77 -1.374 12.013 4.833 1.00 0.00 C ATOM 753 CE LYS A 77 -1.410 13.526 5.089 1.00 0.00 C ATOM 754 NZ LYS A 77 -0.956 13.869 6.454 1.00 0.00 N ATOM 0 H LYS A 77 -4.528 9.582 1.507 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.144 9.454 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.815 11.918 2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.863 11.964 4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.388 10.762 3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.615 12.466 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.984 11.502 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.354 11.647 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.778 14.032 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.425 13.894 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.996 14.900 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.574 13.407 7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.022 13.541 6.587 1.00 0.00 H new ATOM 768 N GLY A 78 -5.450 9.758 5.226 1.00 0.00 N ATOM 769 CA GLY A 78 -6.758 9.559 5.838 1.00 0.00 C ATOM 770 C GLY A 78 -7.413 8.284 5.313 1.00 0.00 C ATOM 771 O GLY A 78 -6.724 7.280 5.123 1.00 0.00 O ATOM 0 H GLY A 78 -4.696 9.872 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.653 9.500 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.398 10.416 5.626 1.00 0.00 H new ATOM 775 N ALA A 79 -8.716 8.362 5.000 1.00 0.00 N ATOM 776 CA ALA A 79 -9.520 7.261 4.482 1.00 0.00 C ATOM 777 C ALA A 79 -8.774 6.469 3.413 1.00 0.00 C ATOM 778 O ALA A 79 -8.832 5.243 3.406 1.00 0.00 O ATOM 779 CB ALA A 79 -10.836 7.797 3.908 1.00 0.00 C ATOM 0 H ALA A 79 -9.250 9.225 5.107 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.729 6.586 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.430 6.968 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.393 8.309 4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.622 8.496 3.099 1.00 0.00 H new ATOM 785 N GLU A 80 -8.069 7.174 2.525 1.00 0.00 N ATOM 786 CA GLU A 80 -7.238 6.570 1.501 1.00 0.00 C ATOM 787 C GLU A 80 -6.267 5.575 2.154 1.00 0.00 C ATOM 788 O GLU A 80 -6.343 4.371 1.912 1.00 0.00 O ATOM 789 CB GLU A 80 -6.519 7.687 0.716 1.00 0.00 C ATOM 790 CG GLU A 80 -6.528 7.490 -0.805 1.00 0.00 C ATOM 791 CD GLU A 80 -7.590 8.342 -1.485 1.00 0.00 C ATOM 792 OE1 GLU A 80 -8.743 8.324 -1.011 1.00 0.00 O ATOM 793 OE2 GLU A 80 -7.207 9.005 -2.475 1.00 0.00 O ATOM 0 H GLU A 80 -8.065 8.194 2.503 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.840 6.006 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.990 8.642 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.486 7.749 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.548 7.743 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.706 6.439 -1.033 1.00 0.00 H new ATOM 800 N ALA A 81 -5.361 6.071 3.002 1.00 0.00 N ATOM 801 CA ALA A 81 -4.311 5.261 3.592 1.00 0.00 C ATOM 802 C ALA A 81 -4.899 4.187 4.506 1.00 0.00 C ATOM 803 O ALA A 81 -4.435 3.051 4.492 1.00 0.00 O ATOM 804 CB ALA A 81 -3.334 6.162 4.344 1.00 0.00 C ATOM 0 H ALA A 81 -5.342 7.048 3.294 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.768 4.745 2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.545 5.554 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.893 6.879 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.865 6.697 5.131 1.00 0.00 H new ATOM 810 N GLU A 82 -5.921 4.546 5.288 1.00 0.00 N ATOM 811 CA GLU A 82 -6.625 3.629 6.174 1.00 0.00 C ATOM 812 C GLU A 82 -7.163 2.439 5.378 1.00 0.00 C ATOM 813 O GLU A 82 -6.832 1.283 5.653 1.00 0.00 O ATOM 814 CB GLU A 82 -7.774 4.384 6.852 1.00 0.00 C ATOM 815 CG GLU A 82 -7.267 5.419 7.862 1.00 0.00 C ATOM 816 CD GLU A 82 -8.397 6.341 8.300 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.382 5.805 8.851 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.270 7.560 8.046 1.00 0.00 O ATOM 0 H GLU A 82 -6.284 5.499 5.320 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.942 3.249 6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.377 4.883 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.426 3.672 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.847 4.912 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.464 6.006 7.417 1.00 0.00 H new ATOM 825 N ALA A 83 -7.992 2.744 4.374 1.00 0.00 N ATOM 826 CA ALA A 83 -8.594 1.749 3.509 1.00 0.00 C ATOM 827 C ALA A 83 -7.497 0.882 2.907 1.00 0.00 C ATOM 828 O ALA A 83 -7.575 -0.342 3.017 1.00 0.00 O ATOM 829 CB ALA A 83 -9.450 2.428 2.436 1.00 0.00 C ATOM 0 H ALA A 83 -8.260 3.701 4.145 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.258 1.104 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.896 1.670 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.239 3.009 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.825 3.090 1.837 1.00 0.00 H new ATOM 835 N VAL A 84 -6.466 1.511 2.318 1.00 0.00 N ATOM 836 CA VAL A 84 -5.324 0.772 1.801 1.00 0.00 C ATOM 837 C VAL A 84 -4.807 -0.211 2.851 1.00 0.00 C ATOM 838 O VAL A 84 -4.784 -1.407 2.600 1.00 0.00 O ATOM 839 CB VAL A 84 -4.170 1.675 1.328 1.00 0.00 C ATOM 840 CG1 VAL A 84 -2.942 0.809 1.014 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.472 2.444 0.040 1.00 0.00 C ATOM 0 H VAL A 84 -6.409 2.522 2.193 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.685 0.234 0.925 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.009 2.386 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.124 1.446 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.638 0.270 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.191 0.095 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.612 3.057 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.680 1.739 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.340 3.085 0.194 1.00 0.00 H new ATOM 851 N ALA A 85 -4.331 0.291 3.988 1.00 0.00 N ATOM 852 CA ALA A 85 -3.651 -0.495 5.007 1.00 0.00 C ATOM 853 C ALA A 85 -4.493 -1.698 5.426 1.00 0.00 C ATOM 854 O ALA A 85 -4.002 -2.826 5.410 1.00 0.00 O ATOM 855 CB ALA A 85 -3.359 0.411 6.196 1.00 0.00 C ATOM 0 H ALA A 85 -4.411 1.279 4.229 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.716 -0.887 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.849 -0.160 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.724 1.237 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.295 0.805 6.592 1.00 0.00 H new ATOM 861 N ALA A 86 -5.761 -1.462 5.774 1.00 0.00 N ATOM 862 CA ALA A 86 -6.669 -2.530 6.174 1.00 0.00 C ATOM 863 C ALA A 86 -6.771 -3.583 5.066 1.00 0.00 C ATOM 864 O ALA A 86 -6.495 -4.764 5.278 1.00 0.00 O ATOM 865 CB ALA A 86 -8.039 -1.937 6.506 1.00 0.00 C ATOM 0 H ALA A 86 -6.180 -0.532 5.785 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.281 -3.024 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.718 -2.735 6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.938 -1.222 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.439 -1.431 5.627 1.00 0.00 H new ATOM 871 N TRP A 87 -7.133 -3.135 3.862 1.00 0.00 N ATOM 872 CA TRP A 87 -7.206 -3.983 2.681 1.00 0.00 C ATOM 873 C TRP A 87 -5.895 -4.750 2.481 1.00 0.00 C ATOM 874 O TRP A 87 -5.918 -5.925 2.140 1.00 0.00 O ATOM 875 CB TRP A 87 -7.567 -3.088 1.494 1.00 0.00 C ATOM 876 CG TRP A 87 -7.337 -3.605 0.108 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.103 -4.470 -0.590 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.262 -3.240 -0.796 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.400 -4.894 -1.702 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.230 -4.177 -1.858 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.254 -2.262 -0.779 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.150 -4.220 -2.752 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.244 -2.243 -1.749 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.162 -3.251 -2.705 1.00 0.00 C ATOM 0 H TRP A 87 -7.385 -2.163 3.683 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.975 -4.748 2.790 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.623 -2.834 1.581 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.006 -2.159 1.598 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.102 -4.780 -0.323 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.706 -5.640 -2.327 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.258 -1.511 -0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.089 -5.014 -3.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.523 -1.439 -1.755 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.337 -3.277 -3.402 1.00 0.00 H new ATOM 895 N LEU A 88 -4.747 -4.116 2.723 1.00 0.00 N ATOM 896 CA LEU A 88 -3.439 -4.735 2.556 1.00 0.00 C ATOM 897 C LEU A 88 -3.148 -5.800 3.601 1.00 0.00 C ATOM 898 O LEU A 88 -2.682 -6.886 3.263 1.00 0.00 O ATOM 899 CB LEU A 88 -2.319 -3.690 2.400 1.00 0.00 C ATOM 900 CG LEU A 88 -1.635 -3.792 1.023 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.577 -4.873 0.955 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.601 -3.947 -0.112 1.00 0.00 C ATOM 0 H LEU A 88 -4.703 -3.149 3.044 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.467 -5.278 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.733 -2.690 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.577 -3.831 3.186 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.136 -2.830 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.137 -4.889 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.200 -4.668 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.032 -5.841 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.052 -4.013 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.187 -4.855 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.269 -3.086 -0.142 1.00 0.00 H new ATOM 914 N ALA A 89 -3.503 -5.543 4.854 1.00 0.00 N ATOM 915 CA ALA A 89 -3.505 -6.579 5.877 1.00 0.00 C ATOM 916 C ALA A 89 -4.411 -7.747 5.470 1.00 0.00 C ATOM 917 O ALA A 89 -4.162 -8.884 5.861 1.00 0.00 O ATOM 918 CB ALA A 89 -3.888 -5.995 7.233 1.00 0.00 C ATOM 0 H ALA A 89 -3.794 -4.623 5.186 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.495 -6.979 5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.884 -6.785 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.170 -5.224 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.885 -5.558 7.172 1.00 0.00 H new ATOM 924 N GLU A 90 -5.441 -7.481 4.662 1.00 0.00 N ATOM 925 CA GLU A 90 -6.331 -8.496 4.114 1.00 0.00 C ATOM 926 C GLU A 90 -5.832 -9.074 2.769 1.00 0.00 C ATOM 927 O GLU A 90 -6.317 -10.110 2.321 1.00 0.00 O ATOM 928 CB GLU A 90 -7.732 -7.874 4.026 1.00 0.00 C ATOM 929 CG GLU A 90 -8.833 -8.940 3.947 1.00 0.00 C ATOM 930 CD GLU A 90 -10.220 -8.314 3.888 1.00 0.00 C ATOM 931 OE1 GLU A 90 -10.403 -7.418 3.035 1.00 0.00 O ATOM 932 OE2 GLU A 90 -11.070 -8.747 4.694 1.00 0.00 O ATOM 0 H GLU A 90 -5.680 -6.534 4.368 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.356 -9.365 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.903 -7.241 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.788 -7.230 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.676 -9.561 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.767 -9.597 4.814 1.00 0.00 H new ATOM 939 N LYS A 91 -4.834 -8.453 2.129 1.00 0.00 N ATOM 940 CA LYS A 91 -4.326 -8.819 0.802 1.00 0.00 C ATOM 941 C LYS A 91 -3.308 -9.968 0.914 1.00 0.00 C ATOM 942 O LYS A 91 -2.757 -10.448 -0.066 1.00 0.00 O ATOM 943 CB LYS A 91 -3.750 -7.535 0.170 1.00 0.00 C ATOM 944 CG LYS A 91 -3.263 -7.534 -1.290 1.00 0.00 C ATOM 945 CD LYS A 91 -4.181 -8.159 -2.341 1.00 0.00 C ATOM 946 CE LYS A 91 -3.871 -9.656 -2.484 1.00 0.00 C ATOM 947 NZ LYS A 91 -3.890 -10.091 -3.888 1.00 0.00 N ATOM 0 H LYS A 91 -4.342 -7.656 2.534 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.113 -9.202 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.515 -6.764 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.910 -7.220 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.074 -6.501 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.307 -8.056 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.223 -8.021 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.045 -7.658 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.892 -9.866 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.601 -10.233 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.862 -11.130 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.759 -9.749 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.062 -9.702 -4.383 1.00 0.00 H new ATOM 961 N LYS A 92 -3.034 -10.436 2.117 1.00 0.00 N ATOM 962 CA LYS A 92 -2.011 -11.428 2.379 1.00 0.00 C ATOM 963 C LYS A 92 -2.579 -12.838 2.468 1.00 0.00 C ATOM 964 O LYS A 92 -3.820 -12.990 2.424 1.00 0.00 O ATOM 965 CB LYS A 92 -1.391 -11.015 3.686 1.00 0.00 C ATOM 966 CG LYS A 92 -2.357 -11.027 4.889 1.00 0.00 C ATOM 967 CD LYS A 92 -2.190 -12.208 5.857 1.00 0.00 C ATOM 968 CE LYS A 92 -3.398 -13.160 5.947 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.539 -14.044 4.772 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.819 -13.751 2.865 1.00 0.00 O ATOM 0 H LYS A 92 -3.527 -10.130 2.956 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.285 -11.464 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.555 -11.680 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.980 -10.011 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.226 -10.100 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.380 -11.030 4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.316 -12.784 5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.983 -11.815 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.302 -13.773 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.308 -12.570 6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.966 -14.946 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.149 -13.586 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.602 -14.223 4.358 1.00 0.00 H new