USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 546 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 78 THR OG1 : rot 180:sc= -0.362 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= -0.117 USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= -0.0144 USER MOD Set 2.2: A 100 MET CE :methyl -135:sc= -0.962 (180deg=-0.812) USER MOD Set 3.1: A 58 ASN : amide:sc= 0.0789 K(o=0.22,f=-5.8!) USER MOD Set 3.2: A 60 THR OG1 : rot 82:sc= 0.143 USER MOD Single : A 28 GLN : amide:sc= -0.491 K(o=-0.49,f=-5!) USER MOD Single : A 31 SER OG : rot -81:sc= 1.16 USER MOD Single : A 36 SER OG : rot -84:sc= 0.225 USER MOD Single : A 39 SER OG : rot -160:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 50 SER OG : rot -95:sc= 1.28 USER MOD Single : A 52 ASN : amide:sc= -0.943 K(o=-0.94,f=-6.8!) USER MOD Single : A 54 MET CE :methyl -162:sc= -0.395 (180deg=-1.02) USER MOD Single : A 56 THR OG1 : rot 47:sc= 0.303 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 24:sc= 0.0643 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -43:sc= 1.12 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0371 K(o=-0.037,f=-3!) USER MOD Single : A 79 THR OG1 : rot -41:sc= 1.19 USER MOD Single : A 81 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.21) USER MOD Single : A 85 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 151:sc= 1.06 (180deg=0.458) USER MOD Single : A 88 THR OG1 : rot -160:sc= 1.11 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 130:sc= 0.00402 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.24! K(o=-1.2!,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 0.870 -6.864 2.562 1.00 0.00 N ATOM 33 CA ASP A 25 2.150 -6.410 2.033 1.00 0.00 C ATOM 34 C ASP A 25 2.353 -4.918 2.282 1.00 0.00 C ATOM 35 O ASP A 25 3.470 -4.464 2.540 1.00 0.00 O ATOM 36 CB ASP A 25 2.234 -6.711 0.533 1.00 0.00 C ATOM 37 CG ASP A 25 1.234 -5.917 -0.291 1.00 0.00 C ATOM 38 OD1 ASP A 25 0.057 -5.812 0.132 1.00 0.00 O ATOM 39 OD2 ASP A 25 1.627 -5.408 -1.358 1.00 0.00 O ATOM 0 HA ASP A 25 2.942 -6.949 2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.242 -6.492 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.065 -7.776 0.372 1.00 0.00 H new ATOM 44 N GLY A 26 1.268 -4.168 2.215 1.00 0.00 N ATOM 45 CA GLY A 26 1.325 -2.738 2.415 1.00 0.00 C ATOM 46 C GLY A 26 0.524 -1.997 1.367 1.00 0.00 C ATOM 47 O GLY A 26 0.168 -2.560 0.335 1.00 0.00 O ATOM 0 H GLY A 26 0.334 -4.531 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.943 -2.493 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.363 -2.406 2.382 1.00 0.00 H new ATOM 51 N VAL A 27 0.213 -0.743 1.633 1.00 0.00 N ATOM 52 CA VAL A 27 -0.498 0.071 0.658 1.00 0.00 C ATOM 53 C VAL A 27 0.464 0.981 -0.098 1.00 0.00 C ATOM 54 O VAL A 27 1.335 1.623 0.496 1.00 0.00 O ATOM 55 CB VAL A 27 -1.627 0.905 1.302 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.764 -0.004 1.736 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.114 1.710 2.484 1.00 0.00 C ATOM 0 H VAL A 27 0.437 -0.266 2.506 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.962 -0.619 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.997 1.608 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.555 0.594 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.160 -0.532 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.394 -0.727 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.933 2.286 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.710 1.033 3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.330 2.389 2.149 1.00 0.00 H new ATOM 67 N GLN A 28 0.303 1.028 -1.412 1.00 0.00 N ATOM 68 CA GLN A 28 1.196 1.797 -2.267 1.00 0.00 C ATOM 69 C GLN A 28 0.595 3.155 -2.592 1.00 0.00 C ATOM 70 O GLN A 28 -0.584 3.260 -2.932 1.00 0.00 O ATOM 71 CB GLN A 28 1.480 1.015 -3.554 1.00 0.00 C ATOM 72 CG GLN A 28 2.186 1.811 -4.648 1.00 0.00 C ATOM 73 CD GLN A 28 3.669 1.995 -4.389 1.00 0.00 C ATOM 74 OE1 GLN A 28 4.113 2.024 -3.248 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.447 2.127 -5.452 1.00 0.00 N ATOM 0 H GLN A 28 -0.441 0.541 -1.911 1.00 0.00 H new ATOM 0 HA GLN A 28 2.133 1.962 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.090 0.146 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.536 0.640 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.051 1.303 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.715 2.790 -4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.042 2.098 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.452 2.258 -5.335 1.00 0.00 H new ATOM 84 N ILE A 29 1.408 4.186 -2.464 1.00 0.00 N ATOM 85 CA ILE A 29 1.018 5.529 -2.880 1.00 0.00 C ATOM 86 C ILE A 29 1.002 5.613 -4.399 1.00 0.00 C ATOM 87 O ILE A 29 2.048 5.531 -5.044 1.00 0.00 O ATOM 88 CB ILE A 29 1.981 6.608 -2.342 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.972 6.633 -0.812 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.612 7.981 -2.893 1.00 0.00 C ATOM 91 CD1 ILE A 29 0.651 7.079 -0.217 1.00 0.00 C ATOM 0 H ILE A 29 2.348 4.123 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 29 0.026 5.716 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 29 2.988 6.357 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.210 5.636 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.761 7.300 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.303 8.728 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.673 7.965 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.596 8.233 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.721 7.071 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.420 8.088 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.139 6.399 -0.534 1.00 0.00 H new ATOM 103 N ASP A 30 -0.183 5.776 -4.957 1.00 0.00 N ATOM 104 CA ASP A 30 -0.346 5.857 -6.402 1.00 0.00 C ATOM 105 C ASP A 30 0.093 7.220 -6.900 1.00 0.00 C ATOM 106 O ASP A 30 1.129 7.355 -7.556 1.00 0.00 O ATOM 107 CB ASP A 30 -1.804 5.617 -6.798 1.00 0.00 C ATOM 108 CG ASP A 30 -2.015 5.670 -8.301 1.00 0.00 C ATOM 109 OD1 ASP A 30 -2.283 6.771 -8.831 1.00 0.00 O ATOM 110 OD2 ASP A 30 -1.916 4.614 -8.960 1.00 0.00 O ATOM 0 H ASP A 30 -1.053 5.856 -4.431 1.00 0.00 H new ATOM 0 HA ASP A 30 0.274 5.085 -6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.123 4.644 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.435 6.366 -6.319 1.00 0.00 H new ATOM 115 N SER A 31 -0.686 8.235 -6.565 1.00 0.00 N ATOM 116 CA SER A 31 -0.397 9.581 -7.011 1.00 0.00 C ATOM 117 C SER A 31 -0.864 10.617 -6.000 1.00 0.00 C ATOM 118 O SER A 31 -1.898 10.456 -5.345 1.00 0.00 O ATOM 119 CB SER A 31 -1.043 9.837 -8.373 1.00 0.00 C ATOM 120 OG SER A 31 -2.381 9.360 -8.399 1.00 0.00 O ATOM 0 H SER A 31 -1.522 8.149 -5.986 1.00 0.00 H new ATOM 0 HA SER A 31 0.685 9.676 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.029 10.905 -8.591 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.462 9.345 -9.153 1.00 0.00 H new ATOM 0 HG SER A 31 -2.381 8.393 -8.560 1.00 0.00 H new ATOM 126 N VAL A 32 -0.070 11.661 -5.866 1.00 0.00 N ATOM 127 CA VAL A 32 -0.413 12.808 -5.047 1.00 0.00 C ATOM 128 C VAL A 32 -0.967 13.914 -5.940 1.00 0.00 C ATOM 129 O VAL A 32 -0.273 14.384 -6.847 1.00 0.00 O ATOM 130 CB VAL A 32 0.826 13.335 -4.291 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.460 14.518 -3.406 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.474 12.225 -3.471 1.00 0.00 C ATOM 0 H VAL A 32 0.837 11.738 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.161 12.503 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 32 1.551 13.678 -5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.350 14.871 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.057 15.322 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.289 14.209 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.345 12.620 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.757 11.843 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.785 11.417 -4.134 1.00 0.00 H new ATOM 142 N VAL A 33 -2.206 14.318 -5.707 1.00 0.00 N ATOM 143 CA VAL A 33 -2.827 15.339 -6.529 1.00 0.00 C ATOM 144 C VAL A 33 -2.592 16.727 -5.921 1.00 0.00 C ATOM 145 O VAL A 33 -2.754 16.923 -4.714 1.00 0.00 O ATOM 146 CB VAL A 33 -4.342 15.066 -6.726 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.122 15.210 -5.426 1.00 0.00 C ATOM 148 CG2 VAL A 33 -4.917 15.973 -7.797 1.00 0.00 C ATOM 0 H VAL A 33 -2.797 13.955 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.362 15.309 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.443 14.031 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.177 15.010 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.741 14.499 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.006 16.224 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.980 15.764 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.783 17.014 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.402 15.794 -8.741 1.00 0.00 H new ATOM 158 N PRO A 34 -2.155 17.695 -6.745 1.00 0.00 N ATOM 159 CA PRO A 34 -1.880 19.062 -6.290 1.00 0.00 C ATOM 160 C PRO A 34 -3.106 19.719 -5.662 1.00 0.00 C ATOM 161 O PRO A 34 -4.240 19.458 -6.065 1.00 0.00 O ATOM 162 CB PRO A 34 -1.474 19.804 -7.570 1.00 0.00 C ATOM 163 CG PRO A 34 -1.953 18.944 -8.690 1.00 0.00 C ATOM 164 CD PRO A 34 -1.886 17.534 -8.180 1.00 0.00 C ATOM 0 HA PRO A 34 -1.113 19.081 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.928 20.794 -7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.394 19.946 -7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.971 19.208 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.329 19.070 -9.575 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.626 16.894 -8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.910 17.084 -8.361 1.00 0.00 H new ATOM 172 N GLY A 35 -2.868 20.574 -4.678 1.00 0.00 N ATOM 173 CA GLY A 35 -3.959 21.213 -3.972 1.00 0.00 C ATOM 174 C GLY A 35 -4.378 20.423 -2.750 1.00 0.00 C ATOM 175 O GLY A 35 -5.519 20.520 -2.294 1.00 0.00 O ATOM 0 H GLY A 35 -1.937 20.837 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.658 22.216 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.811 21.323 -4.643 1.00 0.00 H new ATOM 179 N SER A 36 -3.449 19.636 -2.228 1.00 0.00 N ATOM 180 CA SER A 36 -3.697 18.814 -1.056 1.00 0.00 C ATOM 181 C SER A 36 -2.646 19.097 0.018 1.00 0.00 C ATOM 182 O SER A 36 -1.554 19.582 -0.295 1.00 0.00 O ATOM 183 CB SER A 36 -3.663 17.340 -1.453 1.00 0.00 C ATOM 184 OG SER A 36 -2.433 17.009 -2.073 1.00 0.00 O ATOM 0 H SER A 36 -2.505 19.550 -2.605 1.00 0.00 H new ATOM 0 HA SER A 36 -4.680 19.053 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.808 16.718 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.487 17.124 -2.133 1.00 0.00 H new ATOM 0 HG SER A 36 -2.475 17.237 -3.025 1.00 0.00 H new ATOM 190 N PRO A 37 -2.953 18.808 1.294 1.00 0.00 N ATOM 191 CA PRO A 37 -1.995 18.978 2.391 1.00 0.00 C ATOM 192 C PRO A 37 -0.787 18.055 2.247 1.00 0.00 C ATOM 193 O PRO A 37 0.325 18.396 2.650 1.00 0.00 O ATOM 194 CB PRO A 37 -2.802 18.614 3.643 1.00 0.00 C ATOM 195 CG PRO A 37 -3.938 17.789 3.145 1.00 0.00 C ATOM 196 CD PRO A 37 -4.255 18.313 1.773 1.00 0.00 C ATOM 0 HA PRO A 37 -1.585 19.988 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.194 18.058 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.158 19.507 4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.668 16.734 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.801 17.874 3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.652 17.532 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.000 19.108 1.807 1.00 0.00 H new ATOM 204 N ALA A 38 -1.006 16.891 1.646 1.00 0.00 N ATOM 205 CA ALA A 38 0.049 15.903 1.486 1.00 0.00 C ATOM 206 C ALA A 38 0.956 16.242 0.308 1.00 0.00 C ATOM 207 O ALA A 38 2.051 15.693 0.184 1.00 0.00 O ATOM 208 CB ALA A 38 -0.557 14.520 1.302 1.00 0.00 C ATOM 0 H ALA A 38 -1.908 16.610 1.261 1.00 0.00 H new ATOM 0 HA ALA A 38 0.659 15.912 2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.240 13.786 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.156 14.266 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.190 14.515 0.415 1.00 0.00 H new ATOM 214 N SER A 39 0.508 17.172 -0.530 1.00 0.00 N ATOM 215 CA SER A 39 1.207 17.517 -1.763 1.00 0.00 C ATOM 216 C SER A 39 2.615 18.061 -1.499 1.00 0.00 C ATOM 217 O SER A 39 3.506 17.924 -2.337 1.00 0.00 O ATOM 218 CB SER A 39 0.385 18.543 -2.550 1.00 0.00 C ATOM 219 OG SER A 39 0.945 18.791 -3.828 1.00 0.00 O ATOM 0 H SER A 39 -0.347 17.706 -0.374 1.00 0.00 H new ATOM 0 HA SER A 39 1.319 16.604 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.637 18.181 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.332 19.476 -1.988 1.00 0.00 H new ATOM 0 HG SER A 39 0.611 19.646 -4.171 1.00 0.00 H new ATOM 225 N LYS A 40 2.818 18.674 -0.341 1.00 0.00 N ATOM 226 CA LYS A 40 4.102 19.292 -0.037 1.00 0.00 C ATOM 227 C LYS A 40 4.926 18.436 0.920 1.00 0.00 C ATOM 228 O LYS A 40 6.128 18.656 1.087 1.00 0.00 O ATOM 229 CB LYS A 40 3.888 20.679 0.569 1.00 0.00 C ATOM 230 CG LYS A 40 3.132 21.633 -0.344 1.00 0.00 C ATOM 231 CD LYS A 40 2.938 22.999 0.302 1.00 0.00 C ATOM 232 CE LYS A 40 2.079 22.915 1.557 1.00 0.00 C ATOM 233 NZ LYS A 40 1.866 24.249 2.178 1.00 0.00 N ATOM 0 H LYS A 40 2.118 18.757 0.397 1.00 0.00 H new ATOM 0 HA LYS A 40 4.654 19.381 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.341 20.576 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.858 21.114 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.677 21.748 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.160 21.206 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.910 23.423 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.471 23.676 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.114 22.474 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.556 22.251 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.277 24.146 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.784 24.660 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.388 24.875 1.499 1.00 0.00 H new ATOM 247 N VAL A 41 4.285 17.456 1.540 1.00 0.00 N ATOM 248 CA VAL A 41 4.938 16.653 2.566 1.00 0.00 C ATOM 249 C VAL A 41 5.327 15.273 2.035 1.00 0.00 C ATOM 250 O VAL A 41 6.397 14.756 2.359 1.00 0.00 O ATOM 251 CB VAL A 41 4.032 16.493 3.808 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.769 15.776 4.929 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.527 17.849 4.285 1.00 0.00 C ATOM 0 H VAL A 41 3.316 17.197 1.352 1.00 0.00 H new ATOM 0 HA VAL A 41 5.846 17.183 2.854 1.00 0.00 H new ATOM 0 HB VAL A 41 3.173 15.886 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.110 15.676 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.075 14.787 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.651 16.351 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.891 17.713 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.375 18.481 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.953 18.324 3.489 1.00 0.00 H new ATOM 263 N LEU A 42 4.471 14.682 1.212 1.00 0.00 N ATOM 264 CA LEU A 42 4.720 13.340 0.698 1.00 0.00 C ATOM 265 C LEU A 42 4.951 13.363 -0.809 1.00 0.00 C ATOM 266 O LEU A 42 4.712 14.374 -1.476 1.00 0.00 O ATOM 267 CB LEU A 42 3.557 12.387 1.017 1.00 0.00 C ATOM 268 CG LEU A 42 3.353 12.032 2.496 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.694 13.173 3.256 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.525 10.761 2.624 1.00 0.00 C ATOM 0 H LEU A 42 3.603 15.107 0.887 1.00 0.00 H new ATOM 0 HA LEU A 42 5.619 12.975 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.636 12.834 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.711 11.462 0.461 1.00 0.00 H new ATOM 0 HG LEU A 42 4.335 11.862 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.564 12.888 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.324 14.061 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.721 13.389 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.388 10.521 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.552 10.912 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.042 9.939 2.129 1.00 0.00 H new ATOM 282 N THR A 43 5.414 12.242 -1.333 1.00 0.00 N ATOM 283 CA THR A 43 5.629 12.083 -2.757 1.00 0.00 C ATOM 284 C THR A 43 4.969 10.795 -3.245 1.00 0.00 C ATOM 285 O THR A 43 4.722 9.882 -2.452 1.00 0.00 O ATOM 286 CB THR A 43 7.136 12.067 -3.092 1.00 0.00 C ATOM 287 OG1 THR A 43 7.848 11.258 -2.142 1.00 0.00 O ATOM 288 CG2 THR A 43 7.713 13.477 -3.101 1.00 0.00 C ATOM 0 H THR A 43 5.651 11.417 -0.782 1.00 0.00 H new ATOM 0 HA THR A 43 5.177 12.933 -3.267 1.00 0.00 H new ATOM 0 HB THR A 43 7.252 11.641 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.802 11.254 -2.366 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.776 13.434 -3.340 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.197 14.077 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.580 13.931 -2.119 1.00 0.00 H new ATOM 296 N PRO A 44 4.639 10.710 -4.542 1.00 0.00 N ATOM 297 CA PRO A 44 4.010 9.518 -5.112 1.00 0.00 C ATOM 298 C PRO A 44 4.991 8.356 -5.257 1.00 0.00 C ATOM 299 O PRO A 44 6.201 8.562 -5.371 1.00 0.00 O ATOM 300 CB PRO A 44 3.528 9.995 -6.484 1.00 0.00 C ATOM 301 CG PRO A 44 4.457 11.102 -6.847 1.00 0.00 C ATOM 302 CD PRO A 44 4.840 11.767 -5.551 1.00 0.00 C ATOM 0 HA PRO A 44 3.212 9.133 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.565 9.190 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.496 10.342 -6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.337 10.719 -7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.975 11.810 -7.521 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.874 12.112 -5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.216 12.638 -5.348 1.00 0.00 H new ATOM 310 N GLY A 45 4.460 7.140 -5.244 1.00 0.00 N ATOM 311 CA GLY A 45 5.289 5.963 -5.427 1.00 0.00 C ATOM 312 C GLY A 45 5.990 5.518 -4.156 1.00 0.00 C ATOM 313 O GLY A 45 7.076 4.940 -4.217 1.00 0.00 O ATOM 0 H GLY A 45 3.467 6.947 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.670 5.146 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.037 6.169 -6.193 1.00 0.00 H new ATOM 317 N LEU A 46 5.386 5.793 -3.004 1.00 0.00 N ATOM 318 CA LEU A 46 5.941 5.334 -1.737 1.00 0.00 C ATOM 319 C LEU A 46 5.077 4.229 -1.145 1.00 0.00 C ATOM 320 O LEU A 46 3.910 4.089 -1.500 1.00 0.00 O ATOM 321 CB LEU A 46 6.028 6.491 -0.738 1.00 0.00 C ATOM 322 CG LEU A 46 6.753 7.736 -1.235 1.00 0.00 C ATOM 323 CD1 LEU A 46 6.811 8.789 -0.140 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.149 7.387 -1.717 1.00 0.00 C ATOM 0 H LEU A 46 4.520 6.326 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 46 6.942 4.947 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.016 6.773 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.530 6.134 0.161 1.00 0.00 H new ATOM 0 HG LEU A 46 6.195 8.145 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.332 9.672 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.798 9.063 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.345 8.389 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.649 8.290 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.719 6.952 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.083 6.668 -2.534 1.00 0.00 H new ATOM 336 N VAL A 47 5.639 3.476 -0.210 1.00 0.00 N ATOM 337 CA VAL A 47 4.901 2.412 0.458 1.00 0.00 C ATOM 338 C VAL A 47 4.652 2.784 1.913 1.00 0.00 C ATOM 339 O VAL A 47 5.573 3.194 2.622 1.00 0.00 O ATOM 340 CB VAL A 47 5.656 1.064 0.394 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.868 -0.033 1.096 1.00 0.00 C ATOM 342 CG2 VAL A 47 5.940 0.675 -1.049 1.00 0.00 C ATOM 0 H VAL A 47 6.604 3.582 0.104 1.00 0.00 H new ATOM 0 HA VAL A 47 3.951 2.294 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 47 6.607 1.186 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.419 -0.971 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.721 0.237 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.898 -0.151 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.472 -0.276 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.000 0.578 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.552 1.444 -1.519 1.00 0.00 H new ATOM 352 N ILE A 48 3.409 2.659 2.347 1.00 0.00 N ATOM 353 CA ILE A 48 3.035 2.990 3.714 1.00 0.00 C ATOM 354 C ILE A 48 3.177 1.780 4.623 1.00 0.00 C ATOM 355 O ILE A 48 2.555 0.739 4.398 1.00 0.00 O ATOM 356 CB ILE A 48 1.588 3.510 3.789 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.421 4.733 2.885 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.214 3.852 5.223 1.00 0.00 C ATOM 359 CD1 ILE A 48 -0.010 5.197 2.748 1.00 0.00 C ATOM 0 H ILE A 48 2.636 2.329 1.769 1.00 0.00 H new ATOM 0 HA ILE A 48 3.711 3.776 4.050 1.00 0.00 H new ATOM 0 HB ILE A 48 0.918 2.724 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.022 5.551 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.814 4.499 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.188 4.218 5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.301 2.960 5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.885 4.623 5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.049 6.067 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.613 4.395 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.401 5.464 3.730 1.00 0.00 H new ATOM 371 N GLU A 49 4.004 1.931 5.643 1.00 0.00 N ATOM 372 CA GLU A 49 4.188 0.899 6.647 1.00 0.00 C ATOM 373 C GLU A 49 3.017 0.897 7.612 1.00 0.00 C ATOM 374 O GLU A 49 2.328 -0.113 7.787 1.00 0.00 O ATOM 375 CB GLU A 49 5.470 1.152 7.440 1.00 0.00 C ATOM 376 CG GLU A 49 5.747 0.104 8.506 1.00 0.00 C ATOM 377 CD GLU A 49 6.566 0.653 9.656 1.00 0.00 C ATOM 378 OE1 GLU A 49 5.974 1.257 10.575 1.00 0.00 O ATOM 379 OE2 GLU A 49 7.803 0.483 9.652 1.00 0.00 O ATOM 0 H GLU A 49 4.564 2.769 5.798 1.00 0.00 H new ATOM 0 HA GLU A 49 4.254 -0.063 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.313 1.187 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.406 2.131 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.801 -0.281 8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.275 -0.737 8.056 1.00 0.00 H new ATOM 386 N SER A 50 2.793 2.046 8.228 1.00 0.00 N ATOM 387 CA SER A 50 1.819 2.145 9.298 1.00 0.00 C ATOM 388 C SER A 50 1.133 3.500 9.319 1.00 0.00 C ATOM 389 O SER A 50 1.689 4.505 8.870 1.00 0.00 O ATOM 390 CB SER A 50 2.502 1.875 10.642 1.00 0.00 C ATOM 391 OG SER A 50 3.693 2.638 10.774 1.00 0.00 O ATOM 0 H SER A 50 3.271 2.919 8.005 1.00 0.00 H new ATOM 0 HA SER A 50 1.048 1.395 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.819 2.118 11.456 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.735 0.814 10.728 1.00 0.00 H new ATOM 0 HG SER A 50 4.462 2.095 10.501 1.00 0.00 H new ATOM 397 N ILE A 51 -0.086 3.511 9.832 1.00 0.00 N ATOM 398 CA ILE A 51 -0.840 4.740 9.979 1.00 0.00 C ATOM 399 C ILE A 51 -1.010 5.083 11.459 1.00 0.00 C ATOM 400 O ILE A 51 -1.877 4.536 12.148 1.00 0.00 O ATOM 401 CB ILE A 51 -2.227 4.654 9.300 1.00 0.00 C ATOM 402 CG1 ILE A 51 -2.077 4.470 7.786 1.00 0.00 C ATOM 403 CG2 ILE A 51 -3.064 5.895 9.599 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.370 5.619 7.099 1.00 0.00 C ATOM 0 H ILE A 51 -0.575 2.676 10.155 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.274 5.528 9.483 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.744 3.786 9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.526 3.549 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.066 4.348 7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.034 5.807 9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.209 5.986 10.676 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.548 6.780 9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.301 5.417 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.931 6.540 7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.367 5.729 7.513 1.00 0.00 H new ATOM 416 N ASN A 52 -0.134 5.957 11.933 1.00 0.00 N ATOM 417 CA ASN A 52 -0.189 6.514 13.283 1.00 0.00 C ATOM 418 C ASN A 52 0.088 5.455 14.348 1.00 0.00 C ATOM 419 O ASN A 52 1.206 5.357 14.852 1.00 0.00 O ATOM 420 CB ASN A 52 -1.532 7.202 13.530 1.00 0.00 C ATOM 421 CG ASN A 52 -1.466 8.183 14.680 1.00 0.00 C ATOM 422 OD1 ASN A 52 -1.055 9.328 14.507 1.00 0.00 O ATOM 423 ND2 ASN A 52 -1.875 7.745 15.853 1.00 0.00 N ATOM 0 H ASN A 52 0.650 6.307 11.383 1.00 0.00 H new ATOM 0 HA ASN A 52 0.600 7.262 13.361 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.843 7.725 12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.292 6.449 13.740 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.858 8.365 16.663 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.209 6.786 15.951 1.00 0.00 H new ATOM 430 N GLY A 53 -0.921 4.666 14.684 1.00 0.00 N ATOM 431 CA GLY A 53 -0.747 3.632 15.685 1.00 0.00 C ATOM 432 C GLY A 53 -1.179 2.274 15.181 1.00 0.00 C ATOM 433 O GLY A 53 -1.150 1.287 15.918 1.00 0.00 O ATOM 0 H GLY A 53 -1.857 4.722 14.282 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.300 3.591 15.985 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.323 3.888 16.574 1.00 0.00 H new ATOM 437 N MET A 54 -1.572 2.220 13.917 1.00 0.00 N ATOM 438 CA MET A 54 -2.060 0.987 13.315 1.00 0.00 C ATOM 439 C MET A 54 -1.373 0.741 11.978 1.00 0.00 C ATOM 440 O MET A 54 -1.500 1.546 11.056 1.00 0.00 O ATOM 441 CB MET A 54 -3.576 1.065 13.104 1.00 0.00 C ATOM 442 CG MET A 54 -4.373 1.178 14.394 1.00 0.00 C ATOM 443 SD MET A 54 -6.116 1.535 14.106 1.00 0.00 S ATOM 444 CE MET A 54 -6.002 3.142 13.320 1.00 0.00 C ATOM 0 H MET A 54 -1.562 3.020 13.285 1.00 0.00 H new ATOM 0 HA MET A 54 -1.832 0.162 13.990 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.801 1.925 12.473 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.904 0.178 12.563 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.285 0.247 14.953 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.943 1.964 15.014 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.971 3.640 13.367 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.257 3.748 13.837 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.708 3.017 12.278 1.00 0.00 H new ATOM 454 N PRO A 55 -0.623 -0.361 11.857 1.00 0.00 N ATOM 455 CA PRO A 55 0.059 -0.710 10.611 1.00 0.00 C ATOM 456 C PRO A 55 -0.917 -1.162 9.531 1.00 0.00 C ATOM 457 O PRO A 55 -1.774 -2.015 9.769 1.00 0.00 O ATOM 458 CB PRO A 55 0.983 -1.855 11.014 1.00 0.00 C ATOM 459 CG PRO A 55 0.330 -2.471 12.202 1.00 0.00 C ATOM 460 CD PRO A 55 -0.377 -1.350 12.919 1.00 0.00 C ATOM 0 HA PRO A 55 0.587 0.142 10.182 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.094 -2.577 10.205 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.982 -1.491 11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.374 -3.246 11.901 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.067 -2.944 12.850 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.307 -1.689 13.374 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.237 -0.935 13.719 1.00 0.00 H new ATOM 468 N THR A 56 -0.782 -0.594 8.345 1.00 0.00 N ATOM 469 CA THR A 56 -1.698 -0.884 7.256 1.00 0.00 C ATOM 470 C THR A 56 -1.025 -1.725 6.176 1.00 0.00 C ATOM 471 O THR A 56 -0.354 -1.202 5.284 1.00 0.00 O ATOM 472 CB THR A 56 -2.244 0.416 6.648 1.00 0.00 C ATOM 473 OG1 THR A 56 -1.158 1.300 6.345 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.208 1.095 7.612 1.00 0.00 C ATOM 0 H THR A 56 -0.045 0.072 8.112 1.00 0.00 H new ATOM 0 HA THR A 56 -2.529 -1.458 7.667 1.00 0.00 H new ATOM 0 HB THR A 56 -2.783 0.174 5.732 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.451 0.803 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.584 2.014 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.043 0.426 7.823 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.688 1.331 8.541 1.00 0.00 H new ATOM 482 N SER A 57 -1.202 -3.032 6.277 1.00 0.00 N ATOM 483 CA SER A 57 -0.587 -3.973 5.352 1.00 0.00 C ATOM 484 C SER A 57 -1.546 -4.344 4.228 1.00 0.00 C ATOM 485 O SER A 57 -1.155 -4.972 3.247 1.00 0.00 O ATOM 486 CB SER A 57 -0.148 -5.225 6.107 1.00 0.00 C ATOM 487 OG SER A 57 0.527 -4.876 7.304 1.00 0.00 O ATOM 0 H SER A 57 -1.774 -3.471 6.999 1.00 0.00 H new ATOM 0 HA SER A 57 0.285 -3.497 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.018 -5.839 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.507 -5.826 5.476 1.00 0.00 H new ATOM 0 HG SER A 57 0.799 -5.691 7.775 1.00 0.00 H new ATOM 493 N ASN A 58 -2.811 -3.999 4.385 1.00 0.00 N ATOM 494 CA ASN A 58 -3.778 -4.249 3.338 1.00 0.00 C ATOM 495 C ASN A 58 -4.558 -2.987 3.045 1.00 0.00 C ATOM 496 O ASN A 58 -4.532 -2.031 3.820 1.00 0.00 O ATOM 497 CB ASN A 58 -4.742 -5.363 3.733 1.00 0.00 C ATOM 498 CG ASN A 58 -5.439 -5.982 2.540 1.00 0.00 C ATOM 499 OD1 ASN A 58 -6.535 -5.570 2.154 1.00 0.00 O ATOM 500 ND2 ASN A 58 -4.795 -6.969 1.949 1.00 0.00 N ATOM 0 H ASN A 58 -3.188 -3.549 5.219 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.236 -4.562 2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.195 -6.137 4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.489 -4.965 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.202 -7.428 1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.890 -7.274 2.307 1.00 0.00 H new ATOM 507 N LEU A 59 -5.269 -3.006 1.944 1.00 0.00 N ATOM 508 CA LEU A 59 -6.051 -1.868 1.518 1.00 0.00 C ATOM 509 C LEU A 59 -7.329 -1.788 2.343 1.00 0.00 C ATOM 510 O LEU A 59 -7.787 -0.704 2.699 1.00 0.00 O ATOM 511 CB LEU A 59 -6.375 -1.993 0.034 1.00 0.00 C ATOM 512 CG LEU A 59 -6.151 -0.724 -0.788 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.620 -0.927 -2.219 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.844 0.480 -0.161 1.00 0.00 C ATOM 0 H LEU A 59 -5.323 -3.809 1.318 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.479 -0.953 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.767 -2.793 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.417 -2.296 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.080 -0.519 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.453 -0.013 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.061 -1.746 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.683 -1.168 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.663 1.364 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.916 0.293 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.449 0.646 0.841 1.00 0.00 H new ATOM 526 N THR A 60 -7.881 -2.949 2.665 1.00 0.00 N ATOM 527 CA THR A 60 -9.098 -3.024 3.456 1.00 0.00 C ATOM 528 C THR A 60 -8.841 -2.555 4.890 1.00 0.00 C ATOM 529 O THR A 60 -9.670 -1.864 5.485 1.00 0.00 O ATOM 530 CB THR A 60 -9.655 -4.462 3.467 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.608 -5.006 2.141 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.090 -4.487 3.973 1.00 0.00 C ATOM 0 H THR A 60 -7.502 -3.855 2.389 1.00 0.00 H new ATOM 0 HA THR A 60 -9.836 -2.366 2.998 1.00 0.00 H new ATOM 0 HB THR A 60 -9.041 -5.063 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.708 -5.350 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.459 -5.513 3.971 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.125 -4.091 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.716 -3.875 3.323 1.00 0.00 H new ATOM 540 N THR A 61 -7.682 -2.920 5.431 1.00 0.00 N ATOM 541 CA THR A 61 -7.290 -2.492 6.767 1.00 0.00 C ATOM 542 C THR A 61 -6.926 -1.008 6.767 1.00 0.00 C ATOM 543 O THR A 61 -7.234 -0.278 7.708 1.00 0.00 O ATOM 544 CB THR A 61 -6.105 -3.327 7.294 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.126 -3.497 6.265 1.00 0.00 O ATOM 546 CG2 THR A 61 -6.570 -4.695 7.769 1.00 0.00 C ATOM 0 H THR A 61 -6.997 -3.513 4.962 1.00 0.00 H new ATOM 0 HA THR A 61 -8.140 -2.649 7.431 1.00 0.00 H new ATOM 0 HB THR A 61 -5.667 -2.791 8.136 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.206 -2.769 5.614 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.715 -5.263 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.296 -4.574 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.033 -5.230 6.940 1.00 0.00 H new ATOM 554 N TYR A 62 -6.286 -0.571 5.689 1.00 0.00 N ATOM 555 CA TYR A 62 -5.962 0.836 5.495 1.00 0.00 C ATOM 556 C TYR A 62 -7.238 1.670 5.451 1.00 0.00 C ATOM 557 O TYR A 62 -7.325 2.732 6.070 1.00 0.00 O ATOM 558 CB TYR A 62 -5.168 1.003 4.196 1.00 0.00 C ATOM 559 CG TYR A 62 -4.782 2.429 3.868 1.00 0.00 C ATOM 560 CD1 TYR A 62 -3.861 3.118 4.647 1.00 0.00 C ATOM 561 CD2 TYR A 62 -5.321 3.073 2.763 1.00 0.00 C ATOM 562 CE1 TYR A 62 -3.495 4.412 4.337 1.00 0.00 C ATOM 563 CE2 TYR A 62 -4.960 4.367 2.450 1.00 0.00 C ATOM 564 CZ TYR A 62 -4.046 5.031 3.237 1.00 0.00 C ATOM 565 OH TYR A 62 -3.679 6.316 2.920 1.00 0.00 O ATOM 0 H TYR A 62 -5.979 -1.178 4.929 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.355 1.184 6.331 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.261 0.402 4.261 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.758 0.602 3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.425 2.634 5.508 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.033 2.554 2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.780 4.937 4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.393 4.858 1.591 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.159 6.604 2.115 1.00 0.00 H new ATOM 575 N SER A 63 -8.230 1.167 4.730 1.00 0.00 N ATOM 576 CA SER A 63 -9.515 1.834 4.616 1.00 0.00 C ATOM 577 C SER A 63 -10.219 1.870 5.973 1.00 0.00 C ATOM 578 O SER A 63 -10.838 2.869 6.338 1.00 0.00 O ATOM 579 CB SER A 63 -10.388 1.110 3.582 1.00 0.00 C ATOM 580 OG SER A 63 -11.422 1.951 3.102 1.00 0.00 O ATOM 0 H SER A 63 -8.166 0.291 4.212 1.00 0.00 H new ATOM 0 HA SER A 63 -9.352 2.860 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.769 0.779 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.822 0.217 4.031 1.00 0.00 H new ATOM 0 HG SER A 63 -11.961 1.464 2.444 1.00 0.00 H new ATOM 586 N ALA A 64 -10.102 0.779 6.729 1.00 0.00 N ATOM 587 CA ALA A 64 -10.719 0.686 8.046 1.00 0.00 C ATOM 588 C ALA A 64 -10.086 1.677 9.013 1.00 0.00 C ATOM 589 O ALA A 64 -10.759 2.219 9.891 1.00 0.00 O ATOM 590 CB ALA A 64 -10.595 -0.729 8.588 1.00 0.00 C ATOM 0 H ALA A 64 -9.584 -0.053 6.448 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.776 0.934 7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.060 -0.784 9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.094 -1.423 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.541 -0.996 8.669 1.00 0.00 H new ATOM 596 N ALA A 65 -8.793 1.909 8.842 1.00 0.00 N ATOM 597 CA ALA A 65 -8.069 2.856 9.673 1.00 0.00 C ATOM 598 C ALA A 65 -8.472 4.282 9.321 1.00 0.00 C ATOM 599 O ALA A 65 -8.744 5.101 10.201 1.00 0.00 O ATOM 600 CB ALA A 65 -6.568 2.668 9.505 1.00 0.00 C ATOM 0 H ALA A 65 -8.222 1.451 8.131 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.324 2.672 10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.039 3.384 10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.293 1.655 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.296 2.830 8.462 1.00 0.00 H new ATOM 606 N LEU A 66 -8.535 4.561 8.026 1.00 0.00 N ATOM 607 CA LEU A 66 -8.901 5.871 7.528 1.00 0.00 C ATOM 608 C LEU A 66 -10.317 6.245 7.947 1.00 0.00 C ATOM 609 O LEU A 66 -10.611 7.414 8.201 1.00 0.00 O ATOM 610 CB LEU A 66 -8.791 5.879 6.009 1.00 0.00 C ATOM 611 CG LEU A 66 -7.479 6.429 5.450 1.00 0.00 C ATOM 612 CD1 LEU A 66 -7.504 6.420 3.930 1.00 0.00 C ATOM 613 CD2 LEU A 66 -7.222 7.833 5.971 1.00 0.00 C ATOM 0 H LEU A 66 -8.332 3.881 7.293 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.220 6.607 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.922 4.859 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.614 6.469 5.605 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.666 5.786 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.562 6.815 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.640 5.399 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.327 7.040 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.284 8.207 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.038 8.489 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.160 7.812 7.059 1.00 0.00 H new ATOM 625 N LYS A 67 -11.180 5.241 8.031 1.00 0.00 N ATOM 626 CA LYS A 67 -12.575 5.437 8.418 1.00 0.00 C ATOM 627 C LYS A 67 -12.689 6.066 9.812 1.00 0.00 C ATOM 628 O LYS A 67 -13.711 6.667 10.148 1.00 0.00 O ATOM 629 CB LYS A 67 -13.313 4.091 8.399 1.00 0.00 C ATOM 630 CG LYS A 67 -14.827 4.217 8.459 1.00 0.00 C ATOM 631 CD LYS A 67 -15.509 2.861 8.625 1.00 0.00 C ATOM 632 CE LYS A 67 -15.118 1.881 7.523 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.873 0.604 7.624 1.00 0.00 N ATOM 0 H LYS A 67 -10.936 4.270 7.834 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.029 6.120 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.039 3.550 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.975 3.490 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.104 4.866 9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.187 4.695 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.244 2.439 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.590 2.997 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.303 2.336 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.049 1.676 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.579 -0.035 6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.677 0.157 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.892 0.796 7.543 1.00 0.00 H new ATOM 647 N THR A 68 -11.644 5.927 10.621 1.00 0.00 N ATOM 648 CA THR A 68 -11.683 6.424 11.992 1.00 0.00 C ATOM 649 C THR A 68 -10.955 7.763 12.144 1.00 0.00 C ATOM 650 O THR A 68 -11.103 8.441 13.165 1.00 0.00 O ATOM 651 CB THR A 68 -11.091 5.402 12.986 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.708 5.159 12.696 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.857 4.088 12.932 1.00 0.00 C ATOM 0 H THR A 68 -10.767 5.479 10.355 1.00 0.00 H new ATOM 0 HA THR A 68 -12.737 6.577 12.226 1.00 0.00 H new ATOM 0 HB THR A 68 -11.179 5.823 13.987 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.588 5.068 11.728 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.422 3.384 13.641 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.901 4.265 13.191 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.798 3.673 11.926 1.00 0.00 H new ATOM 661 N ILE A 69 -10.170 8.139 11.139 1.00 0.00 N ATOM 662 CA ILE A 69 -9.375 9.363 11.208 1.00 0.00 C ATOM 663 C ILE A 69 -10.268 10.595 11.032 1.00 0.00 C ATOM 664 O ILE A 69 -11.174 10.608 10.195 1.00 0.00 O ATOM 665 CB ILE A 69 -8.247 9.372 10.148 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.384 8.107 10.268 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.380 10.617 10.292 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.734 7.924 11.627 1.00 0.00 C ATOM 0 H ILE A 69 -10.067 7.616 10.269 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.911 9.395 12.194 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.710 9.386 9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.004 7.236 10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.605 8.139 9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.594 10.602 9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.995 11.507 10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.930 10.634 11.284 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.143 7.008 11.627 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.085 8.774 11.838 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.506 7.858 12.394 1.00 0.00 H new ATOM 680 N SER A 70 -10.017 11.622 11.835 1.00 0.00 N ATOM 681 CA SER A 70 -10.869 12.806 11.851 1.00 0.00 C ATOM 682 C SER A 70 -10.216 13.980 11.119 1.00 0.00 C ATOM 683 O SER A 70 -9.055 13.903 10.714 1.00 0.00 O ATOM 684 CB SER A 70 -11.166 13.189 13.299 1.00 0.00 C ATOM 685 OG SER A 70 -11.567 12.050 14.043 1.00 0.00 O ATOM 0 H SER A 70 -9.231 11.659 12.484 1.00 0.00 H new ATOM 0 HA SER A 70 -11.797 12.571 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.280 13.633 13.753 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.952 13.944 13.328 1.00 0.00 H new ATOM 0 HG SER A 70 -11.752 12.313 14.969 1.00 0.00 H new ATOM 691 N VAL A 71 -10.972 15.065 10.949 1.00 0.00 N ATOM 692 CA VAL A 71 -10.463 16.275 10.307 1.00 0.00 C ATOM 693 C VAL A 71 -9.697 17.134 11.313 1.00 0.00 C ATOM 694 O VAL A 71 -10.136 17.314 12.447 1.00 0.00 O ATOM 695 CB VAL A 71 -11.607 17.115 9.701 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.069 18.373 9.031 1.00 0.00 C ATOM 697 CG2 VAL A 71 -12.413 16.290 8.713 1.00 0.00 C ATOM 0 H VAL A 71 -11.945 15.129 11.249 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.794 15.959 9.506 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.265 17.420 10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.897 18.945 8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.543 18.981 9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.381 18.094 8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.214 16.901 8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.762 15.949 7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.842 15.428 9.224 1.00 0.00 H new ATOM 707 N GLY A 72 -8.551 17.652 10.894 1.00 0.00 N ATOM 708 CA GLY A 72 -7.723 18.446 11.778 1.00 0.00 C ATOM 709 C GLY A 72 -6.774 17.569 12.564 1.00 0.00 C ATOM 710 O GLY A 72 -5.862 18.058 13.234 1.00 0.00 O ATOM 0 H GLY A 72 -8.179 17.535 9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.155 19.172 11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.354 19.011 12.464 1.00 0.00 H new ATOM 714 N GLU A 73 -6.988 16.268 12.444 1.00 0.00 N ATOM 715 CA GLU A 73 -6.222 15.279 13.168 1.00 0.00 C ATOM 716 C GLU A 73 -4.895 15.041 12.462 1.00 0.00 C ATOM 717 O GLU A 73 -4.811 15.116 11.231 1.00 0.00 O ATOM 718 CB GLU A 73 -7.030 13.987 13.263 1.00 0.00 C ATOM 719 CG GLU A 73 -6.502 12.976 14.266 1.00 0.00 C ATOM 720 CD GLU A 73 -7.533 11.913 14.602 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.986 11.192 13.688 1.00 0.00 O ATOM 722 OE2 GLU A 73 -7.918 11.812 15.787 1.00 0.00 O ATOM 0 H GLU A 73 -7.704 15.871 11.836 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.013 15.635 14.177 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.058 14.237 13.527 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.058 13.520 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.608 12.499 13.863 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.204 13.493 15.178 1.00 0.00 H new ATOM 729 N VAL A 74 -3.866 14.777 13.241 1.00 0.00 N ATOM 730 CA VAL A 74 -2.530 14.597 12.701 1.00 0.00 C ATOM 731 C VAL A 74 -2.080 13.162 12.898 1.00 0.00 C ATOM 732 O VAL A 74 -1.948 12.699 14.030 1.00 0.00 O ATOM 733 CB VAL A 74 -1.507 15.537 13.375 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.141 15.425 12.714 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.994 16.972 13.347 1.00 0.00 C ATOM 0 H VAL A 74 -3.928 14.682 14.255 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.574 14.839 11.639 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.406 15.228 14.415 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.559 16.098 13.209 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.220 14.400 12.797 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.223 15.697 11.662 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.257 17.616 13.827 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.134 17.289 12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.942 17.045 13.880 1.00 0.00 H new ATOM 745 N ILE A 75 -1.854 12.463 11.801 1.00 0.00 N ATOM 746 CA ILE A 75 -1.447 11.076 11.872 1.00 0.00 C ATOM 747 C ILE A 75 0.027 10.908 11.530 1.00 0.00 C ATOM 748 O ILE A 75 0.616 11.713 10.801 1.00 0.00 O ATOM 749 CB ILE A 75 -2.301 10.183 10.950 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.364 10.772 9.534 1.00 0.00 C ATOM 751 CG2 ILE A 75 -3.698 10.010 11.537 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.165 9.937 8.560 1.00 0.00 C ATOM 0 H ILE A 75 -1.945 12.833 10.855 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.604 10.758 12.903 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.835 9.200 10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.798 11.770 9.585 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.349 10.885 9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.294 9.378 10.879 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.625 9.543 12.519 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.176 10.985 11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.164 10.418 7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.719 8.946 8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.191 9.845 8.917 1.00 0.00 H new ATOM 764 N ASN A 76 0.605 9.855 12.071 1.00 0.00 N ATOM 765 CA ASN A 76 2.015 9.554 11.892 1.00 0.00 C ATOM 766 C ASN A 76 2.191 8.451 10.852 1.00 0.00 C ATOM 767 O ASN A 76 1.936 7.281 11.118 1.00 0.00 O ATOM 768 CB ASN A 76 2.600 9.128 13.240 1.00 0.00 C ATOM 769 CG ASN A 76 3.988 8.538 13.148 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.789 8.905 12.292 1.00 0.00 O ATOM 771 ND2 ASN A 76 4.273 7.604 14.037 1.00 0.00 N ATOM 0 H ASN A 76 0.109 9.179 12.651 1.00 0.00 H new ATOM 0 HA ASN A 76 2.542 10.438 11.533 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.627 9.993 13.903 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.935 8.396 13.698 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.189 7.156 14.030 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.577 7.330 14.730 1.00 0.00 H new ATOM 778 N ILE A 77 2.619 8.830 9.667 1.00 0.00 N ATOM 779 CA ILE A 77 2.708 7.889 8.561 1.00 0.00 C ATOM 780 C ILE A 77 4.153 7.498 8.293 1.00 0.00 C ATOM 781 O ILE A 77 4.936 8.281 7.757 1.00 0.00 O ATOM 782 CB ILE A 77 2.084 8.467 7.273 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.654 8.941 7.545 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.094 7.421 6.164 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.016 9.568 6.342 1.00 0.00 C ATOM 0 H ILE A 77 2.911 9.781 9.441 1.00 0.00 H new ATOM 0 HA ILE A 77 2.145 7.002 8.852 1.00 0.00 H new ATOM 0 HB ILE A 77 2.679 9.321 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.057 8.093 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.669 9.664 8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.651 7.843 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.121 7.120 5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.517 6.551 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.026 9.880 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.558 10.436 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.063 8.841 5.532 1.00 0.00 H new ATOM 797 N THR A 78 4.505 6.291 8.689 1.00 0.00 N ATOM 798 CA THR A 78 5.820 5.758 8.399 1.00 0.00 C ATOM 799 C THR A 78 5.812 5.118 7.018 1.00 0.00 C ATOM 800 O THR A 78 5.027 4.209 6.757 1.00 0.00 O ATOM 801 CB THR A 78 6.249 4.720 9.455 1.00 0.00 C ATOM 802 OG1 THR A 78 6.143 5.292 10.766 1.00 0.00 O ATOM 803 CG2 THR A 78 7.678 4.259 9.211 1.00 0.00 C ATOM 0 H THR A 78 3.898 5.661 9.213 1.00 0.00 H new ATOM 0 HA THR A 78 6.538 6.578 8.424 1.00 0.00 H new ATOM 0 HB THR A 78 5.589 3.856 9.378 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.415 4.629 11.435 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.959 3.527 9.968 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.750 3.805 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.351 5.115 9.267 1.00 0.00 H new ATOM 811 N THR A 79 6.654 5.610 6.127 1.00 0.00 N ATOM 812 CA THR A 79 6.692 5.095 4.769 1.00 0.00 C ATOM 813 C THR A 79 8.073 4.562 4.423 1.00 0.00 C ATOM 814 O THR A 79 9.016 4.695 5.203 1.00 0.00 O ATOM 815 CB THR A 79 6.313 6.175 3.736 1.00 0.00 C ATOM 816 OG1 THR A 79 7.277 7.233 3.750 1.00 0.00 O ATOM 817 CG2 THR A 79 4.929 6.737 4.018 1.00 0.00 C ATOM 0 H THR A 79 7.317 6.361 6.317 1.00 0.00 H new ATOM 0 HA THR A 79 5.962 4.287 4.726 1.00 0.00 H new ATOM 0 HB THR A 79 6.303 5.710 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.523 7.440 4.676 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.686 7.497 3.275 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.193 5.934 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.913 7.184 5.012 1.00 0.00 H new ATOM 825 N ASP A 80 8.180 3.978 3.237 1.00 0.00 N ATOM 826 CA ASP A 80 9.451 3.486 2.708 1.00 0.00 C ATOM 827 C ASP A 80 10.452 4.632 2.522 1.00 0.00 C ATOM 828 O ASP A 80 11.660 4.412 2.439 1.00 0.00 O ATOM 829 CB ASP A 80 9.196 2.778 1.370 1.00 0.00 C ATOM 830 CG ASP A 80 10.465 2.305 0.682 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.070 1.317 1.144 1.00 0.00 O ATOM 832 OD2 ASP A 80 10.854 2.916 -0.335 1.00 0.00 O ATOM 0 H ASP A 80 7.388 3.830 2.611 1.00 0.00 H new ATOM 0 HA ASP A 80 9.883 2.783 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.544 1.921 1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.663 3.457 0.705 1.00 0.00 H new ATOM 837 N GLN A 81 9.944 5.861 2.482 1.00 0.00 N ATOM 838 CA GLN A 81 10.789 7.025 2.254 1.00 0.00 C ATOM 839 C GLN A 81 11.051 7.779 3.556 1.00 0.00 C ATOM 840 O GLN A 81 11.703 8.823 3.567 1.00 0.00 O ATOM 841 CB GLN A 81 10.134 7.948 1.226 1.00 0.00 C ATOM 842 CG GLN A 81 11.093 8.934 0.578 1.00 0.00 C ATOM 843 CD GLN A 81 12.184 8.248 -0.223 1.00 0.00 C ATOM 844 OE1 GLN A 81 13.300 8.754 -0.333 1.00 0.00 O ATOM 845 NE2 GLN A 81 11.871 7.099 -0.804 1.00 0.00 N ATOM 0 H GLN A 81 8.954 6.074 2.604 1.00 0.00 H new ATOM 0 HA GLN A 81 11.749 6.683 1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.675 7.339 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.332 8.503 1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.533 9.603 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.549 9.552 1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.935 6.709 -0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.566 6.605 -1.364 1.00 0.00 H new ATOM 854 N GLY A 82 10.568 7.227 4.652 1.00 0.00 N ATOM 855 CA GLY A 82 10.770 7.853 5.943 1.00 0.00 C ATOM 856 C GLY A 82 9.481 8.016 6.719 1.00 0.00 C ATOM 857 O GLY A 82 8.397 7.707 6.217 1.00 0.00 O ATOM 0 H GLY A 82 10.038 6.356 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.468 7.254 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.230 8.831 5.800 1.00 0.00 H new ATOM 861 N THR A 83 9.598 8.503 7.942 1.00 0.00 N ATOM 862 CA THR A 83 8.447 8.681 8.811 1.00 0.00 C ATOM 863 C THR A 83 7.938 10.123 8.751 1.00 0.00 C ATOM 864 O THR A 83 8.588 11.040 9.251 1.00 0.00 O ATOM 865 CB THR A 83 8.815 8.324 10.263 1.00 0.00 C ATOM 866 OG1 THR A 83 9.470 7.045 10.299 1.00 0.00 O ATOM 867 CG2 THR A 83 7.581 8.291 11.151 1.00 0.00 C ATOM 0 H THR A 83 10.486 8.784 8.358 1.00 0.00 H new ATOM 0 HA THR A 83 7.656 8.015 8.465 1.00 0.00 H new ATOM 0 HB THR A 83 9.488 9.093 10.641 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.704 6.823 11.224 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.873 8.036 12.170 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.102 9.270 11.145 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.883 7.543 10.776 1.00 0.00 H new ATOM 875 N PHE A 84 6.778 10.319 8.136 1.00 0.00 N ATOM 876 CA PHE A 84 6.211 11.652 7.982 1.00 0.00 C ATOM 877 C PHE A 84 5.018 11.839 8.913 1.00 0.00 C ATOM 878 O PHE A 84 4.538 10.886 9.527 1.00 0.00 O ATOM 879 CB PHE A 84 5.765 11.884 6.533 1.00 0.00 C ATOM 880 CG PHE A 84 6.867 11.752 5.517 1.00 0.00 C ATOM 881 CD1 PHE A 84 7.778 12.776 5.329 1.00 0.00 C ATOM 882 CD2 PHE A 84 6.983 10.606 4.747 1.00 0.00 C ATOM 883 CE1 PHE A 84 8.788 12.661 4.393 1.00 0.00 C ATOM 884 CE2 PHE A 84 7.991 10.484 3.809 1.00 0.00 C ATOM 885 CZ PHE A 84 8.896 11.512 3.632 1.00 0.00 C ATOM 0 H PHE A 84 6.212 9.571 7.736 1.00 0.00 H new ATOM 0 HA PHE A 84 6.984 12.376 8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.976 11.173 6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.331 12.881 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.699 13.676 5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.278 9.799 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.492 13.468 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.071 9.586 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 84 9.686 11.419 2.901 1.00 0.00 H new ATOM 895 N HIS A 85 4.547 13.069 9.020 1.00 0.00 N ATOM 896 CA HIS A 85 3.361 13.373 9.805 1.00 0.00 C ATOM 897 C HIS A 85 2.391 14.197 8.974 1.00 0.00 C ATOM 898 O HIS A 85 2.763 15.224 8.409 1.00 0.00 O ATOM 899 CB HIS A 85 3.723 14.107 11.102 1.00 0.00 C ATOM 900 CG HIS A 85 4.678 15.256 10.939 1.00 0.00 C ATOM 901 ND1 HIS A 85 4.282 16.576 10.915 1.00 0.00 N ATOM 902 CD2 HIS A 85 6.026 15.271 10.811 1.00 0.00 C ATOM 903 CE1 HIS A 85 5.342 17.349 10.778 1.00 0.00 C ATOM 904 NE2 HIS A 85 6.412 16.583 10.714 1.00 0.00 N ATOM 0 H HIS A 85 4.971 13.880 8.570 1.00 0.00 H new ATOM 0 HA HIS A 85 2.883 12.434 10.084 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.806 14.479 11.559 1.00 0.00 H new ATOM 0 HB3 HIS A 85 4.158 13.390 11.798 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.677 14.409 10.789 1.00 0.00 H new ATOM 0 HE1 HIS A 85 5.334 18.428 10.727 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.372 16.912 10.609 1.00 0.00 H new ATOM 913 N LEU A 86 1.156 13.739 8.891 1.00 0.00 N ATOM 914 CA LEU A 86 0.174 14.369 8.022 1.00 0.00 C ATOM 915 C LEU A 86 -0.986 14.914 8.837 1.00 0.00 C ATOM 916 O LEU A 86 -1.461 14.274 9.772 1.00 0.00 O ATOM 917 CB LEU A 86 -0.325 13.355 6.989 1.00 0.00 C ATOM 918 CG LEU A 86 -0.894 13.933 5.683 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.871 12.875 4.593 1.00 0.00 C ATOM 920 CD2 LEU A 86 -2.314 14.444 5.874 1.00 0.00 C ATOM 0 H LEU A 86 0.807 12.935 9.413 1.00 0.00 H new ATOM 0 HA LEU A 86 0.644 15.204 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.501 12.690 6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.096 12.743 7.456 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.267 14.775 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.276 13.293 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.155 12.549 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.476 12.022 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.686 14.846 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.955 13.624 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.320 15.229 6.630 1.00 0.00 H new ATOM 932 N LYS A 87 -1.434 16.096 8.467 1.00 0.00 N ATOM 933 CA LYS A 87 -2.542 16.748 9.147 1.00 0.00 C ATOM 934 C LYS A 87 -3.704 16.912 8.176 1.00 0.00 C ATOM 935 O LYS A 87 -3.553 17.536 7.127 1.00 0.00 O ATOM 936 CB LYS A 87 -2.113 18.117 9.689 1.00 0.00 C ATOM 937 CG LYS A 87 -3.189 18.819 10.506 1.00 0.00 C ATOM 938 CD LYS A 87 -2.736 20.201 10.950 1.00 0.00 C ATOM 939 CE LYS A 87 -3.774 20.880 11.832 1.00 0.00 C ATOM 940 NZ LYS A 87 -3.954 20.180 13.133 1.00 0.00 N ATOM 0 H LYS A 87 -1.045 16.632 7.691 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.854 16.130 9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.225 17.990 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.830 18.756 8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.099 18.906 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.435 18.217 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.795 20.118 11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.543 20.819 10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.473 21.911 12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.728 20.915 11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.245 20.866 13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.686 19.448 13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.057 19.737 13.416 1.00 0.00 H new ATOM 954 N THR A 88 -4.845 16.339 8.514 1.00 0.00 N ATOM 955 CA THR A 88 -6.014 16.412 7.646 1.00 0.00 C ATOM 956 C THR A 88 -6.607 17.821 7.640 1.00 0.00 C ATOM 957 O THR A 88 -6.686 18.474 8.679 1.00 0.00 O ATOM 958 CB THR A 88 -7.084 15.391 8.068 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.355 15.516 9.467 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.622 13.974 7.762 1.00 0.00 C ATOM 0 H THR A 88 -4.990 15.819 9.379 1.00 0.00 H new ATOM 0 HA THR A 88 -5.685 16.170 6.635 1.00 0.00 H new ATOM 0 HB THR A 88 -7.994 15.593 7.503 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.778 14.694 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.392 13.266 8.068 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.441 13.873 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.701 13.766 8.307 1.00 0.00 H new ATOM 968 N GLY A 89 -7.022 18.281 6.466 1.00 0.00 N ATOM 969 CA GLY A 89 -7.497 19.650 6.328 1.00 0.00 C ATOM 970 C GLY A 89 -8.781 19.741 5.537 1.00 0.00 C ATOM 971 O GLY A 89 -9.159 20.811 5.059 1.00 0.00 O ATOM 0 H GLY A 89 -7.039 17.733 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.653 20.078 7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.730 20.250 5.839 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.538 12.510 6.845 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.096 12.623 6.667 1.00 0.00 C ATOM 1103 C ALA A 98 -9.722 12.580 5.188 1.00 0.00 C ATOM 1104 O ALA A 98 -9.839 11.539 4.543 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.385 11.512 7.419 1.00 0.00 C ATOM 0 HA ALA A 98 -9.779 13.585 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.308 11.608 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.619 11.584 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.716 10.546 7.039 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.291 13.712 4.645 1.00 0.00 N ATOM 1112 CA TYR A 99 -8.898 13.774 3.245 1.00 0.00 C ATOM 1113 C TYR A 99 -7.448 14.230 3.143 1.00 0.00 C ATOM 1114 O TYR A 99 -7.074 15.256 3.712 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.816 14.732 2.491 1.00 0.00 C ATOM 1116 CG TYR A 99 -10.018 14.389 1.033 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -10.667 13.216 0.667 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -9.589 15.244 0.025 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -10.877 12.903 -0.659 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -9.794 14.934 -1.306 1.00 0.00 C ATOM 1121 CZ TYR A 99 -10.440 13.762 -1.641 1.00 0.00 C ATOM 1122 OH TYR A 99 -10.664 13.451 -2.963 1.00 0.00 O ATOM 0 H TYR A 99 -9.205 14.594 5.150 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.988 12.785 2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.787 14.749 2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.405 15.739 2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -11.012 12.539 1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.088 16.165 0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -11.383 11.987 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -9.451 15.605 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.296 14.159 -3.532 1.00 0.00 H new ATOM 1132 N MET A 100 -6.637 13.462 2.434 1.00 0.00 N ATOM 1133 CA MET A 100 -5.209 13.745 2.338 1.00 0.00 C ATOM 1134 C MET A 100 -4.853 14.315 0.972 1.00 0.00 C ATOM 1135 O MET A 100 -3.952 15.146 0.855 1.00 0.00 O ATOM 1136 CB MET A 100 -4.404 12.474 2.611 1.00 0.00 C ATOM 1137 CG MET A 100 -4.554 11.955 4.034 1.00 0.00 C ATOM 1138 SD MET A 100 -3.731 10.371 4.285 1.00 0.00 S ATOM 1139 CE MET A 100 -4.667 9.323 3.173 1.00 0.00 C ATOM 0 H MET A 100 -6.940 12.637 1.916 1.00 0.00 H new ATOM 0 HA MET A 100 -4.958 14.494 3.089 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.719 11.697 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.350 12.671 2.414 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.144 12.688 4.729 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.613 11.851 4.269 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.910 8.386 3.674 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.588 9.830 2.884 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.073 9.115 2.283 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.564 13.871 -0.057 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.312 14.366 -1.396 1.00 0.00 C ATOM 1151 C GLY A 101 -4.362 13.468 -2.161 1.00 0.00 C ATOM 1152 O GLY A 101 -3.642 13.917 -3.050 1.00 0.00 O ATOM 0 H GLY A 101 -6.309 13.178 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.255 14.443 -1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.894 15.371 -1.339 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.351 12.194 -1.799 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.514 11.216 -2.472 1.00 0.00 C ATOM 1158 C ILE A 102 -4.316 9.950 -2.722 1.00 0.00 C ATOM 1159 O ILE A 102 -5.250 9.641 -1.979 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.227 10.890 -1.657 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.557 10.292 -0.279 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.378 12.140 -1.480 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -2.684 8.779 -0.262 1.00 0.00 C ATOM 0 H ILE A 102 -4.915 11.813 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.193 11.643 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.668 10.146 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.780 10.586 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.491 10.726 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.483 11.894 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.090 12.525 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.952 12.897 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.918 8.445 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.482 8.473 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.744 8.331 -0.584 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.979 9.238 -3.779 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.614 7.962 -4.060 1.00 0.00 C ATOM 1177 C ARG A 103 -3.674 6.828 -3.702 1.00 0.00 C ATOM 1178 O ARG A 103 -2.468 6.916 -3.931 1.00 0.00 O ATOM 1179 CB ARG A 103 -5.041 7.862 -5.529 1.00 0.00 C ATOM 1180 CG ARG A 103 -6.443 8.395 -5.796 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.548 9.890 -5.533 1.00 0.00 C ATOM 1182 NE ARG A 103 -7.935 10.356 -5.562 1.00 0.00 N ATOM 1183 CZ ARG A 103 -8.317 11.530 -6.058 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -7.439 12.328 -6.655 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -9.593 11.891 -5.979 1.00 0.00 N ATOM 0 H ARG A 103 -3.271 9.519 -4.457 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.514 7.887 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.329 8.413 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.992 6.819 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.717 8.189 -6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.158 7.866 -5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.109 10.119 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.968 10.431 -6.281 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.654 9.742 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.463 12.042 -6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.741 13.226 -7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.273 11.270 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.893 12.790 -6.357 1.00 0.00 H new ATOM 1199 N THR A 104 -4.225 5.784 -3.113 1.00 0.00 N ATOM 1200 CA THR A 104 -3.447 4.623 -2.733 1.00 0.00 C ATOM 1201 C THR A 104 -3.923 3.387 -3.478 1.00 0.00 C ATOM 1202 O THR A 104 -5.025 3.361 -4.031 1.00 0.00 O ATOM 1203 CB THR A 104 -3.533 4.369 -1.216 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.857 4.653 -0.750 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.531 5.222 -0.458 1.00 0.00 C ATOM 0 H THR A 104 -5.217 5.717 -2.886 1.00 0.00 H new ATOM 0 HA THR A 104 -2.409 4.825 -2.999 1.00 0.00 H new ATOM 0 HB THR A 104 -3.296 3.321 -1.034 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.185 3.899 -0.216 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.616 5.020 0.610 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.522 4.983 -0.793 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.735 6.276 -0.646 1.00 0.00 H new ATOM 1213 N SER A 105 -3.078 2.377 -3.512 1.00 0.00 N ATOM 1214 CA SER A 105 -3.430 1.109 -4.108 1.00 0.00 C ATOM 1215 C SER A 105 -2.804 -0.035 -3.325 1.00 0.00 C ATOM 1216 O SER A 105 -1.876 0.158 -2.551 1.00 0.00 O ATOM 1217 CB SER A 105 -2.968 1.054 -5.565 1.00 0.00 C ATOM 1218 OG SER A 105 -3.626 2.032 -6.351 1.00 0.00 O ATOM 0 H SER A 105 -2.133 2.413 -3.129 1.00 0.00 H new ATOM 0 HA SER A 105 -4.515 1.007 -4.079 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.890 1.210 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.165 0.063 -5.974 1.00 0.00 H new ATOM 0 HG SER A 105 -3.310 1.975 -7.277 1.00 0.00 H new ATOM 1224 N ASN A 106 -3.332 -1.215 -3.530 1.00 0.00 N ATOM 1225 CA ASN A 106 -2.788 -2.425 -2.965 1.00 0.00 C ATOM 1226 C ASN A 106 -2.110 -3.189 -4.086 1.00 0.00 C ATOM 1227 O ASN A 106 -2.523 -4.281 -4.467 1.00 0.00 O ATOM 1228 CB ASN A 106 -3.900 -3.258 -2.322 1.00 0.00 C ATOM 1229 CG ASN A 106 -3.381 -4.398 -1.469 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -4.024 -5.442 -1.350 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -2.234 -4.202 -0.847 1.00 0.00 N ATOM 0 H ASN A 106 -4.163 -1.365 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.065 -2.195 -2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.522 -2.607 -1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.540 -3.663 -3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -1.851 -4.929 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.730 -3.324 -0.971 1.00 0.00 H new