USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0726 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0.21 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.91! K(o=-2.9!,f=-3.5) USER MOD Single : A 41 HIS : no HD1:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 81:sc= 0.42 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 60 SER OG : rot -79:sc= 0.435 USER MOD Single : A 61 ASN : amide:sc= -0.0652 K(o=-0.065,f=-1.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.79! C(o=-1.8!,f=-2.8!) USER MOD Single : A 68 TYR OH : rot 157:sc= -0.27 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 73 SER OG : rot -5:sc= 0.302 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00434 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.572 -12.489 15.529 1.00 0.00 N ATOM 2 CA GLY A 1 7.979 -13.013 14.312 1.00 0.00 C ATOM 3 C GLY A 1 6.775 -12.209 13.862 1.00 0.00 C ATOM 4 O GLY A 1 6.535 -11.108 14.357 1.00 0.00 O ATOM 0 H1 GLY A 1 9.530 -12.140 15.326 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.988 -11.708 15.891 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.623 -13.243 16.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.727 -13.016 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.681 -14.049 14.473 1.00 0.00 H new ATOM 8 N SER A 2 6.018 -12.760 12.918 1.00 0.00 N ATOM 9 CA SER A 2 4.836 -12.084 12.397 1.00 0.00 C ATOM 10 C SER A 2 3.584 -12.520 13.152 1.00 0.00 C ATOM 11 O SER A 2 3.144 -13.664 13.039 1.00 0.00 O ATOM 12 CB SER A 2 4.672 -12.377 10.904 1.00 0.00 C ATOM 13 OG SER A 2 3.847 -11.407 10.281 1.00 0.00 O ATOM 0 H SER A 2 6.202 -13.672 12.499 1.00 0.00 H new ATOM 0 HA SER A 2 4.969 -11.011 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.650 -12.390 10.423 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.238 -13.368 10.770 1.00 0.00 H new ATOM 0 HG SER A 2 3.759 -11.616 9.328 1.00 0.00 H new ATOM 19 N SER A 3 3.014 -11.598 13.921 1.00 0.00 N ATOM 20 CA SER A 3 1.814 -11.887 14.699 1.00 0.00 C ATOM 21 C SER A 3 0.580 -11.916 13.803 1.00 0.00 C ATOM 22 O SER A 3 -0.151 -12.905 13.765 1.00 0.00 O ATOM 23 CB SER A 3 1.633 -10.843 15.802 1.00 0.00 C ATOM 24 OG SER A 3 0.486 -11.124 16.587 1.00 0.00 O ATOM 0 H SER A 3 3.363 -10.645 14.022 1.00 0.00 H new ATOM 0 HA SER A 3 1.934 -12.870 15.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.518 -10.825 16.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.540 -9.852 15.358 1.00 0.00 H new ATOM 0 HG SER A 3 0.393 -10.443 17.286 1.00 0.00 H new ATOM 30 N GLY A 4 0.354 -10.822 13.081 1.00 0.00 N ATOM 31 CA GLY A 4 -0.792 -10.742 12.195 1.00 0.00 C ATOM 32 C GLY A 4 -0.633 -11.608 10.961 1.00 0.00 C ATOM 33 O GLY A 4 -0.034 -11.187 9.971 1.00 0.00 O ATOM 0 H GLY A 4 0.944 -9.990 13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.688 -11.047 12.736 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.941 -9.706 11.891 1.00 0.00 H new ATOM 37 N SER A 5 -1.169 -12.823 11.020 1.00 0.00 N ATOM 38 CA SER A 5 -1.078 -13.754 9.901 1.00 0.00 C ATOM 39 C SER A 5 -1.441 -13.063 8.590 1.00 0.00 C ATOM 40 O SER A 5 -0.791 -13.271 7.565 1.00 0.00 O ATOM 41 CB SER A 5 -2.001 -14.952 10.131 1.00 0.00 C ATOM 42 OG SER A 5 -1.440 -15.854 11.069 1.00 0.00 O ATOM 0 H SER A 5 -1.671 -13.186 11.831 1.00 0.00 H new ATOM 0 HA SER A 5 -0.048 -14.105 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.970 -14.605 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.176 -15.467 9.186 1.00 0.00 H new ATOM 0 HG SER A 5 -2.049 -16.610 11.200 1.00 0.00 H new ATOM 48 N SER A 6 -2.484 -12.240 8.630 1.00 0.00 N ATOM 49 CA SER A 6 -2.937 -11.520 7.446 1.00 0.00 C ATOM 50 C SER A 6 -1.968 -10.397 7.089 1.00 0.00 C ATOM 51 O SER A 6 -1.127 -10.006 7.898 1.00 0.00 O ATOM 52 CB SER A 6 -4.337 -10.948 7.675 1.00 0.00 C ATOM 53 OG SER A 6 -4.304 -9.873 8.598 1.00 0.00 O ATOM 0 H SER A 6 -3.032 -12.055 9.471 1.00 0.00 H new ATOM 0 HA SER A 6 -2.972 -12.224 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.753 -10.605 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.997 -11.731 8.048 1.00 0.00 H new ATOM 0 HG SER A 6 -5.211 -9.524 8.726 1.00 0.00 H new ATOM 59 N GLY A 7 -2.092 -9.881 5.869 1.00 0.00 N ATOM 60 CA GLY A 7 -1.222 -8.808 5.425 1.00 0.00 C ATOM 61 C GLY A 7 -1.992 -7.647 4.829 1.00 0.00 C ATOM 62 O GLY A 7 -1.657 -7.160 3.749 1.00 0.00 O ATOM 0 H GLY A 7 -2.780 -10.187 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.629 -8.452 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.522 -9.195 4.684 1.00 0.00 H new ATOM 66 N ASP A 8 -3.028 -7.202 5.532 1.00 0.00 N ATOM 67 CA ASP A 8 -3.848 -6.091 5.066 1.00 0.00 C ATOM 68 C ASP A 8 -2.994 -5.044 4.359 1.00 0.00 C ATOM 69 O ASP A 8 -1.818 -4.867 4.681 1.00 0.00 O ATOM 70 CB ASP A 8 -4.594 -5.452 6.239 1.00 0.00 C ATOM 71 CG ASP A 8 -3.812 -5.534 7.535 1.00 0.00 C ATOM 72 OD1 ASP A 8 -2.575 -5.699 7.473 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.436 -5.432 8.612 1.00 0.00 O ATOM 0 H ASP A 8 -3.319 -7.594 6.427 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.574 -6.482 4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.801 -4.407 6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.557 -5.947 6.367 1.00 0.00 H new ATOM 78 N TYR A 9 -3.591 -4.353 3.395 1.00 0.00 N ATOM 79 CA TYR A 9 -2.884 -3.325 2.640 1.00 0.00 C ATOM 80 C TYR A 9 -2.676 -2.073 3.486 1.00 0.00 C ATOM 81 O TYR A 9 -1.586 -1.501 3.511 1.00 0.00 O ATOM 82 CB TYR A 9 -3.658 -2.972 1.369 1.00 0.00 C ATOM 83 CG TYR A 9 -3.673 -4.081 0.341 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.495 -4.696 -0.063 1.00 0.00 C ATOM 85 CD2 TYR A 9 -4.866 -4.514 -0.226 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.503 -5.710 -1.002 1.00 0.00 C ATOM 87 CE2 TYR A 9 -4.884 -5.527 -1.165 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.700 -6.122 -1.550 1.00 0.00 C ATOM 89 OH TYR A 9 -3.714 -7.131 -2.485 1.00 0.00 O ATOM 0 H TYR A 9 -4.563 -4.486 3.117 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.907 -3.721 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.685 -2.722 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.219 -2.080 0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.556 -4.376 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.795 -4.051 0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.578 -6.177 -1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.820 -5.852 -1.596 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.636 -7.301 -2.769 1.00 0.00 H new ATOM 99 N TYR A 10 -3.729 -1.654 4.178 1.00 0.00 N ATOM 100 CA TYR A 10 -3.664 -0.469 5.026 1.00 0.00 C ATOM 101 C TYR A 10 -2.414 -0.492 5.899 1.00 0.00 C ATOM 102 O TYR A 10 -1.778 0.539 6.118 1.00 0.00 O ATOM 103 CB TYR A 10 -4.912 -0.375 5.904 1.00 0.00 C ATOM 104 CG TYR A 10 -6.142 0.097 5.161 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.111 1.251 4.389 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.335 -0.612 5.232 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.232 1.686 3.710 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.461 -0.185 4.554 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.404 0.965 3.795 1.00 0.00 C ATOM 110 OH TYR A 10 -9.523 1.395 3.118 1.00 0.00 O ATOM 0 H TYR A 10 -4.638 -2.117 4.169 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.617 0.407 4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.114 -1.354 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.714 0.307 6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.194 1.818 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.383 -1.512 5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.191 2.587 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.380 -0.749 4.618 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.263 0.774 3.282 1.00 0.00 H new ATOM 120 N GLU A 11 -2.068 -1.675 6.396 1.00 0.00 N ATOM 121 CA GLU A 11 -0.894 -1.833 7.246 1.00 0.00 C ATOM 122 C GLU A 11 0.388 -1.604 6.451 1.00 0.00 C ATOM 123 O GLU A 11 1.229 -0.789 6.831 1.00 0.00 O ATOM 124 CB GLU A 11 -0.875 -3.228 7.875 1.00 0.00 C ATOM 125 CG GLU A 11 -1.670 -3.324 9.166 1.00 0.00 C ATOM 126 CD GLU A 11 -0.883 -2.846 10.372 1.00 0.00 C ATOM 127 OE1 GLU A 11 -0.516 -1.653 10.405 1.00 0.00 O ATOM 128 OE2 GLU A 11 -0.634 -3.665 11.281 1.00 0.00 O ATOM 0 H GLU A 11 -2.584 -2.538 6.225 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.948 -1.086 8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.274 -3.946 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.158 -3.515 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.580 -2.732 9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.977 -4.358 9.323 1.00 0.00 H new ATOM 135 N ILE A 12 0.530 -2.330 5.347 1.00 0.00 N ATOM 136 CA ILE A 12 1.709 -2.206 4.499 1.00 0.00 C ATOM 137 C ILE A 12 2.089 -0.744 4.296 1.00 0.00 C ATOM 138 O ILE A 12 3.269 -0.389 4.315 1.00 0.00 O ATOM 139 CB ILE A 12 1.484 -2.862 3.123 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.351 -4.379 3.273 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.624 -2.515 2.178 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.846 -5.067 2.024 1.00 0.00 C ATOM 0 H ILE A 12 -0.156 -3.010 5.019 1.00 0.00 H new ATOM 0 HA ILE A 12 2.521 -2.722 5.011 1.00 0.00 H new ATOM 0 HB ILE A 12 0.557 -2.475 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.322 -4.796 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.672 -4.596 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.451 -2.986 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.675 -1.434 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.564 -2.877 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.776 -6.140 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.139 -4.677 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.536 -4.880 1.201 1.00 0.00 H new ATOM 154 N LEU A 13 1.083 0.102 4.103 1.00 0.00 N ATOM 155 CA LEU A 13 1.311 1.528 3.898 1.00 0.00 C ATOM 156 C LEU A 13 1.531 2.241 5.229 1.00 0.00 C ATOM 157 O LEU A 13 2.456 3.039 5.372 1.00 0.00 O ATOM 158 CB LEU A 13 0.126 2.154 3.161 1.00 0.00 C ATOM 159 CG LEU A 13 -0.158 1.608 1.761 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.417 2.238 1.187 1.00 0.00 C ATOM 161 CD2 LEU A 13 1.030 1.853 0.842 1.00 0.00 C ATOM 0 H LEU A 13 0.101 -0.175 4.084 1.00 0.00 H new ATOM 0 HA LEU A 13 2.209 1.643 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.768 2.019 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.299 3.227 3.083 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.317 0.532 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.603 1.837 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.265 2.011 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.287 3.318 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.810 1.458 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.221 2.924 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.911 1.353 1.245 1.00 0.00 H new ATOM 173 N GLY A 14 0.673 1.945 6.201 1.00 0.00 N ATOM 174 CA GLY A 14 0.792 2.565 7.508 1.00 0.00 C ATOM 175 C GLY A 14 -0.302 3.581 7.769 1.00 0.00 C ATOM 176 O GLY A 14 -0.022 4.735 8.095 1.00 0.00 O ATOM 0 H GLY A 14 -0.101 1.288 6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.758 1.793 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.763 3.053 7.588 1.00 0.00 H new ATOM 180 N VAL A 15 -1.552 3.154 7.624 1.00 0.00 N ATOM 181 CA VAL A 15 -2.692 4.036 7.846 1.00 0.00 C ATOM 182 C VAL A 15 -3.846 3.288 8.503 1.00 0.00 C ATOM 183 O VAL A 15 -3.794 2.069 8.670 1.00 0.00 O ATOM 184 CB VAL A 15 -3.184 4.659 6.526 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.091 5.507 5.895 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.650 3.575 5.567 1.00 0.00 C ATOM 0 H VAL A 15 -1.801 2.203 7.354 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.353 4.831 8.511 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.032 5.308 6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.457 5.939 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.810 6.307 6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.221 4.884 5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.994 4.033 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.822 2.899 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.468 3.015 6.020 1.00 0.00 H new ATOM 196 N SER A 16 -4.887 4.026 8.876 1.00 0.00 N ATOM 197 CA SER A 16 -6.053 3.433 9.519 1.00 0.00 C ATOM 198 C SER A 16 -6.941 2.733 8.494 1.00 0.00 C ATOM 199 O SER A 16 -6.768 2.903 7.287 1.00 0.00 O ATOM 200 CB SER A 16 -6.855 4.506 10.258 1.00 0.00 C ATOM 201 OG SER A 16 -6.307 4.760 11.539 1.00 0.00 O ATOM 0 H SER A 16 -4.946 5.036 8.744 1.00 0.00 H new ATOM 0 HA SER A 16 -5.704 2.692 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.863 5.426 9.673 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.891 4.184 10.360 1.00 0.00 H new ATOM 0 HG SER A 16 -6.836 5.450 11.990 1.00 0.00 H new ATOM 207 N ARG A 17 -7.893 1.945 8.985 1.00 0.00 N ATOM 208 CA ARG A 17 -8.808 1.218 8.114 1.00 0.00 C ATOM 209 C ARG A 17 -9.928 2.129 7.621 1.00 0.00 C ATOM 210 O ARG A 17 -10.895 2.384 8.337 1.00 0.00 O ATOM 211 CB ARG A 17 -9.400 0.016 8.851 1.00 0.00 C ATOM 212 CG ARG A 17 -8.582 -1.256 8.698 1.00 0.00 C ATOM 213 CD ARG A 17 -9.024 -2.061 7.486 1.00 0.00 C ATOM 214 NE ARG A 17 -10.212 -2.863 7.765 1.00 0.00 N ATOM 215 CZ ARG A 17 -10.175 -4.049 8.362 1.00 0.00 C ATOM 216 NH1 ARG A 17 -9.016 -4.568 8.742 1.00 0.00 N ATOM 217 NH2 ARG A 17 -11.300 -4.718 8.582 1.00 0.00 N ATOM 0 H ARG A 17 -8.050 1.794 9.981 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.245 0.864 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.487 0.257 9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.409 -0.165 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.526 -1.002 8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.683 -1.865 9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.230 -1.384 6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.211 -2.715 7.169 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.120 -2.492 7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.149 -4.056 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.991 -5.479 9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.194 -4.321 8.293 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.270 -5.629 9.040 1.00 0.00 H new ATOM 231 N GLY A 18 -9.790 2.617 6.392 1.00 0.00 N ATOM 232 CA GLY A 18 -10.797 3.495 5.824 1.00 0.00 C ATOM 233 C GLY A 18 -10.220 4.822 5.372 1.00 0.00 C ATOM 234 O GLY A 18 -10.957 5.783 5.151 1.00 0.00 O ATOM 0 H GLY A 18 -8.999 2.420 5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.270 3.000 4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.577 3.674 6.564 1.00 0.00 H new ATOM 238 N ALA A 19 -8.900 4.876 5.234 1.00 0.00 N ATOM 239 CA ALA A 19 -8.226 6.095 4.804 1.00 0.00 C ATOM 240 C ALA A 19 -8.568 6.431 3.357 1.00 0.00 C ATOM 241 O ALA A 19 -8.465 5.582 2.472 1.00 0.00 O ATOM 242 CB ALA A 19 -6.720 5.953 4.973 1.00 0.00 C ATOM 0 H ALA A 19 -8.276 4.090 5.414 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.576 6.914 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.229 6.870 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.487 5.769 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.363 5.118 4.370 1.00 0.00 H new ATOM 248 N SER A 20 -8.976 7.674 3.123 1.00 0.00 N ATOM 249 CA SER A 20 -9.338 8.120 1.783 1.00 0.00 C ATOM 250 C SER A 20 -8.113 8.164 0.875 1.00 0.00 C ATOM 251 O SER A 20 -6.978 8.060 1.341 1.00 0.00 O ATOM 252 CB SER A 20 -9.992 9.502 1.843 1.00 0.00 C ATOM 253 OG SER A 20 -10.785 9.741 0.693 1.00 0.00 O ATOM 0 H SER A 20 -9.064 8.390 3.844 1.00 0.00 H new ATOM 0 HA SER A 20 -10.050 7.406 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.611 9.576 2.737 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.222 10.269 1.923 1.00 0.00 H new ATOM 0 HG SER A 20 -11.193 10.630 0.756 1.00 0.00 H new ATOM 259 N ASP A 21 -8.351 8.319 -0.422 1.00 0.00 N ATOM 260 CA ASP A 21 -7.268 8.377 -1.397 1.00 0.00 C ATOM 261 C ASP A 21 -6.161 9.314 -0.924 1.00 0.00 C ATOM 262 O ASP A 21 -5.049 8.877 -0.629 1.00 0.00 O ATOM 263 CB ASP A 21 -7.799 8.840 -2.754 1.00 0.00 C ATOM 264 CG ASP A 21 -8.657 7.788 -3.430 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.359 7.045 -2.712 1.00 0.00 O ATOM 266 OD2 ASP A 21 -8.628 7.709 -4.675 1.00 0.00 O ATOM 0 H ASP A 21 -9.285 8.407 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.852 7.375 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.383 9.750 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.960 9.092 -3.402 1.00 0.00 H new ATOM 271 N GLU A 22 -6.474 10.604 -0.855 1.00 0.00 N ATOM 272 CA GLU A 22 -5.504 11.602 -0.419 1.00 0.00 C ATOM 273 C GLU A 22 -4.604 11.044 0.679 1.00 0.00 C ATOM 274 O GLU A 22 -3.380 11.032 0.548 1.00 0.00 O ATOM 275 CB GLU A 22 -6.221 12.857 0.083 1.00 0.00 C ATOM 276 CG GLU A 22 -5.426 14.136 -0.122 1.00 0.00 C ATOM 277 CD GLU A 22 -6.290 15.379 -0.042 1.00 0.00 C ATOM 278 OE1 GLU A 22 -7.443 15.331 -0.520 1.00 0.00 O ATOM 279 OE2 GLU A 22 -5.814 16.400 0.496 1.00 0.00 O ATOM 0 H GLU A 22 -7.390 10.982 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.883 11.865 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.178 12.948 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.438 12.741 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.640 14.195 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.934 14.102 -1.094 1.00 0.00 H new ATOM 286 N ASP A 23 -5.220 10.582 1.762 1.00 0.00 N ATOM 287 CA ASP A 23 -4.476 10.022 2.884 1.00 0.00 C ATOM 288 C ASP A 23 -3.563 8.890 2.420 1.00 0.00 C ATOM 289 O ASP A 23 -2.376 8.863 2.746 1.00 0.00 O ATOM 290 CB ASP A 23 -5.438 9.510 3.957 1.00 0.00 C ATOM 291 CG ASP A 23 -5.976 10.625 4.832 1.00 0.00 C ATOM 292 OD1 ASP A 23 -5.216 11.574 5.119 1.00 0.00 O ATOM 293 OD2 ASP A 23 -7.158 10.550 5.228 1.00 0.00 O ATOM 0 H ASP A 23 -6.232 10.584 1.886 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.858 10.813 3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.270 8.994 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.925 8.778 4.581 1.00 0.00 H new ATOM 298 N LEU A 24 -4.126 7.959 1.658 1.00 0.00 N ATOM 299 CA LEU A 24 -3.364 6.824 1.150 1.00 0.00 C ATOM 300 C LEU A 24 -2.157 7.295 0.345 1.00 0.00 C ATOM 301 O LEU A 24 -1.013 6.982 0.678 1.00 0.00 O ATOM 302 CB LEU A 24 -4.254 5.934 0.281 1.00 0.00 C ATOM 303 CG LEU A 24 -5.481 5.334 0.970 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.596 5.096 -0.036 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.114 4.039 1.679 1.00 0.00 C ATOM 0 H LEU A 24 -5.107 7.968 1.378 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.007 6.247 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.592 6.518 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.646 5.118 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.839 6.044 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.460 4.669 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.878 6.042 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.250 4.406 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.999 3.626 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.730 3.323 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.349 4.239 2.430 1.00 0.00 H new ATOM 317 N LYS A 25 -2.418 8.051 -0.716 1.00 0.00 N ATOM 318 CA LYS A 25 -1.354 8.570 -1.567 1.00 0.00 C ATOM 319 C LYS A 25 -0.226 9.163 -0.729 1.00 0.00 C ATOM 320 O LYS A 25 0.931 8.762 -0.854 1.00 0.00 O ATOM 321 CB LYS A 25 -1.908 9.632 -2.520 1.00 0.00 C ATOM 322 CG LYS A 25 -0.899 10.110 -3.551 1.00 0.00 C ATOM 323 CD LYS A 25 -1.302 11.448 -4.147 1.00 0.00 C ATOM 324 CE LYS A 25 -2.256 11.272 -5.318 1.00 0.00 C ATOM 325 NZ LYS A 25 -2.336 12.499 -6.158 1.00 0.00 N ATOM 0 H LYS A 25 -3.358 8.318 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.952 7.741 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.778 9.226 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.253 10.487 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.083 10.199 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.810 9.369 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.775 12.061 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.412 11.983 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.927 10.433 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.249 11.023 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.996 12.338 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.674 13.294 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.394 12.722 -6.537 1.00 0.00 H new ATOM 339 N LYS A 26 -0.571 10.119 0.128 1.00 0.00 N ATOM 340 CA LYS A 26 0.411 10.765 0.989 1.00 0.00 C ATOM 341 C LYS A 26 1.317 9.732 1.652 1.00 0.00 C ATOM 342 O LYS A 26 2.539 9.786 1.517 1.00 0.00 O ATOM 343 CB LYS A 26 -0.292 11.604 2.059 1.00 0.00 C ATOM 344 CG LYS A 26 -0.737 12.970 1.566 1.00 0.00 C ATOM 345 CD LYS A 26 -1.362 13.789 2.682 1.00 0.00 C ATOM 346 CE LYS A 26 -2.117 14.991 2.136 1.00 0.00 C ATOM 347 NZ LYS A 26 -2.315 16.041 3.174 1.00 0.00 N ATOM 0 H LYS A 26 -1.524 10.463 0.244 1.00 0.00 H new ATOM 0 HA LYS A 26 1.026 11.418 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.162 11.058 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.381 11.734 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.119 13.506 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.456 12.849 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.042 13.162 3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.584 14.127 3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.568 15.412 1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.086 14.669 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.833 16.843 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.860 15.647 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.390 16.367 3.519 1.00 0.00 H new ATOM 361 N ALA A 27 0.709 8.791 2.368 1.00 0.00 N ATOM 362 CA ALA A 27 1.461 7.744 3.048 1.00 0.00 C ATOM 363 C ALA A 27 2.318 6.955 2.064 1.00 0.00 C ATOM 364 O ALA A 27 3.535 6.863 2.220 1.00 0.00 O ATOM 365 CB ALA A 27 0.515 6.813 3.792 1.00 0.00 C ATOM 0 H ALA A 27 -0.302 8.733 2.492 1.00 0.00 H new ATOM 0 HA ALA A 27 2.127 8.219 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.090 6.036 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.050 7.382 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.174 6.353 3.084 1.00 0.00 H new ATOM 371 N TYR A 28 1.674 6.387 1.051 1.00 0.00 N ATOM 372 CA TYR A 28 2.376 5.602 0.042 1.00 0.00 C ATOM 373 C TYR A 28 3.622 6.334 -0.447 1.00 0.00 C ATOM 374 O TYR A 28 4.707 5.757 -0.520 1.00 0.00 O ATOM 375 CB TYR A 28 1.450 5.303 -1.138 1.00 0.00 C ATOM 376 CG TYR A 28 2.136 4.585 -2.279 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.835 3.404 -2.063 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.083 5.088 -3.573 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.464 2.746 -3.102 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.707 4.435 -4.619 1.00 0.00 C ATOM 381 CZ TYR A 28 3.397 3.265 -4.378 1.00 0.00 C ATOM 382 OH TYR A 28 4.020 2.611 -5.416 1.00 0.00 O ATOM 0 H TYR A 28 0.667 6.455 0.906 1.00 0.00 H new ATOM 0 HA TYR A 28 2.685 4.662 0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.614 4.697 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.032 6.239 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.888 2.993 -1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.545 6.005 -3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.005 1.830 -2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.655 4.838 -5.619 1.00 0.00 H new ATOM 0 HH TYR A 28 3.876 3.107 -6.249 1.00 0.00 H new ATOM 392 N ARG A 29 3.457 7.610 -0.781 1.00 0.00 N ATOM 393 CA ARG A 29 4.567 8.423 -1.264 1.00 0.00 C ATOM 394 C ARG A 29 5.686 8.486 -0.228 1.00 0.00 C ATOM 395 O ARG A 29 6.784 7.977 -0.454 1.00 0.00 O ATOM 396 CB ARG A 29 4.085 9.836 -1.597 1.00 0.00 C ATOM 397 CG ARG A 29 3.226 9.907 -2.849 1.00 0.00 C ATOM 398 CD ARG A 29 3.360 11.254 -3.541 1.00 0.00 C ATOM 399 NE ARG A 29 2.281 11.489 -4.496 1.00 0.00 N ATOM 400 CZ ARG A 29 2.216 12.555 -5.286 1.00 0.00 C ATOM 401 NH1 ARG A 29 3.165 13.481 -5.234 1.00 0.00 N ATOM 402 NH2 ARG A 29 1.202 12.698 -6.129 1.00 0.00 N ATOM 0 H ARG A 29 2.566 8.103 -0.726 1.00 0.00 H new ATOM 0 HA ARG A 29 4.959 7.958 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.515 10.225 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.951 10.486 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.517 9.113 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.182 9.734 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.361 12.047 -2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.318 11.302 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 29 1.535 10.796 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.946 13.375 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.113 14.299 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.470 11.989 -6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.154 13.517 -6.735 1.00 0.00 H new ATOM 416 N ARG A 30 5.399 9.115 0.907 1.00 0.00 N ATOM 417 CA ARG A 30 6.381 9.247 1.976 1.00 0.00 C ATOM 418 C ARG A 30 7.224 7.981 2.100 1.00 0.00 C ATOM 419 O ARG A 30 8.376 8.029 2.532 1.00 0.00 O ATOM 420 CB ARG A 30 5.682 9.539 3.306 1.00 0.00 C ATOM 421 CG ARG A 30 6.592 9.397 4.516 1.00 0.00 C ATOM 422 CD ARG A 30 6.069 10.193 5.701 1.00 0.00 C ATOM 423 NE ARG A 30 7.148 10.647 6.574 1.00 0.00 N ATOM 424 CZ ARG A 30 7.851 9.836 7.357 1.00 0.00 C ATOM 425 NH1 ARG A 30 7.590 8.536 7.375 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.818 10.324 8.123 1.00 0.00 N ATOM 0 H ARG A 30 4.495 9.541 1.110 1.00 0.00 H new ATOM 0 HA ARG A 30 7.040 10.079 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.280 10.552 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.835 8.863 3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.674 8.345 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.595 9.739 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.508 11.055 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.374 9.578 6.273 1.00 0.00 H new ATOM 0 HE ARG A 30 7.374 11.642 6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.848 8.157 6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.131 7.915 7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.023 11.323 8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.357 9.700 8.724 1.00 0.00 H new ATOM 440 N LEU A 31 6.642 6.850 1.717 1.00 0.00 N ATOM 441 CA LEU A 31 7.339 5.570 1.785 1.00 0.00 C ATOM 442 C LEU A 31 8.171 5.336 0.528 1.00 0.00 C ATOM 443 O LEU A 31 9.394 5.217 0.594 1.00 0.00 O ATOM 444 CB LEU A 31 6.336 4.429 1.966 1.00 0.00 C ATOM 445 CG LEU A 31 5.461 4.497 3.218 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.472 3.342 3.243 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.323 4.490 4.472 1.00 0.00 C ATOM 0 H LEU A 31 5.690 6.793 1.356 1.00 0.00 H new ATOM 0 HA LEU A 31 8.010 5.595 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.684 4.403 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.886 3.488 1.982 1.00 0.00 H new ATOM 0 HG LEU A 31 4.898 5.430 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.858 3.408 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.832 3.392 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.016 2.397 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.684 4.539 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.914 3.574 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.990 5.352 4.460 1.00 0.00 H new ATOM 459 N ALA A 32 7.499 5.273 -0.617 1.00 0.00 N ATOM 460 CA ALA A 32 8.176 5.057 -1.889 1.00 0.00 C ATOM 461 C ALA A 32 9.497 5.817 -1.944 1.00 0.00 C ATOM 462 O ALA A 32 10.546 5.240 -2.236 1.00 0.00 O ATOM 463 CB ALA A 32 7.277 5.475 -3.043 1.00 0.00 C ATOM 0 H ALA A 32 6.486 5.369 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 32 8.395 3.993 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.796 5.308 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.361 4.885 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.029 6.532 -2.947 1.00 0.00 H new ATOM 469 N LEU A 33 9.440 7.114 -1.661 1.00 0.00 N ATOM 470 CA LEU A 33 10.633 7.953 -1.678 1.00 0.00 C ATOM 471 C LEU A 33 11.694 7.412 -0.725 1.00 0.00 C ATOM 472 O LEU A 33 12.891 7.490 -1.002 1.00 0.00 O ATOM 473 CB LEU A 33 10.275 9.391 -1.297 1.00 0.00 C ATOM 474 CG LEU A 33 9.541 10.205 -2.363 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.498 10.626 -3.467 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.379 9.407 -2.938 1.00 0.00 C ATOM 0 H LEU A 33 8.581 7.607 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 33 11.040 7.942 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.657 9.365 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.194 9.916 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 33 9.142 11.104 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.957 11.204 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.296 11.236 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.928 9.740 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.868 10.002 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.756 8.490 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.679 9.157 -2.140 1.00 0.00 H new ATOM 488 N LYS A 34 11.247 6.861 0.398 1.00 0.00 N ATOM 489 CA LYS A 34 12.157 6.302 1.391 1.00 0.00 C ATOM 490 C LYS A 34 12.597 4.896 0.996 1.00 0.00 C ATOM 491 O LYS A 34 13.643 4.416 1.435 1.00 0.00 O ATOM 492 CB LYS A 34 11.486 6.271 2.766 1.00 0.00 C ATOM 493 CG LYS A 34 12.292 5.532 3.820 1.00 0.00 C ATOM 494 CD LYS A 34 11.937 4.056 3.861 1.00 0.00 C ATOM 495 CE LYS A 34 12.581 3.360 5.051 1.00 0.00 C ATOM 496 NZ LYS A 34 11.845 3.631 6.317 1.00 0.00 N ATOM 0 H LYS A 34 10.260 6.789 0.644 1.00 0.00 H new ATOM 0 HA LYS A 34 13.040 6.939 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.317 7.294 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.507 5.800 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.356 5.645 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.110 5.978 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.854 3.943 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.263 3.577 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.610 2.285 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.613 3.695 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.315 3.139 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.839 4.654 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.867 3.289 6.230 1.00 0.00 H new ATOM 510 N PHE A 35 11.793 4.241 0.165 1.00 0.00 N ATOM 511 CA PHE A 35 12.100 2.890 -0.289 1.00 0.00 C ATOM 512 C PHE A 35 12.363 2.868 -1.792 1.00 0.00 C ATOM 513 O PHE A 35 12.277 1.820 -2.433 1.00 0.00 O ATOM 514 CB PHE A 35 10.950 1.940 0.053 1.00 0.00 C ATOM 515 CG PHE A 35 10.814 1.668 1.523 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.734 0.867 2.181 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.766 2.212 2.248 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.612 0.615 3.535 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.640 1.964 3.602 1.00 0.00 C ATOM 520 CZ PHE A 35 10.563 1.163 4.246 1.00 0.00 C ATOM 0 H PHE A 35 10.924 4.624 -0.208 1.00 0.00 H new ATOM 0 HA PHE A 35 13.002 2.557 0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.017 2.364 -0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.101 0.996 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.556 0.435 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.040 2.837 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.337 -0.010 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.820 2.396 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.464 0.966 5.303 1.00 0.00 H new ATOM 530 N HIS A 36 12.684 4.032 -2.347 1.00 0.00 N ATOM 531 CA HIS A 36 12.960 4.148 -3.775 1.00 0.00 C ATOM 532 C HIS A 36 14.370 3.660 -4.097 1.00 0.00 C ATOM 533 O HIS A 36 15.321 3.901 -3.353 1.00 0.00 O ATOM 534 CB HIS A 36 12.793 5.597 -4.232 1.00 0.00 C ATOM 535 CG HIS A 36 12.348 5.728 -5.657 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.193 6.113 -6.676 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.140 5.521 -6.230 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.523 6.139 -7.814 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.274 5.783 -7.571 1.00 0.00 N ATOM 0 H HIS A 36 12.760 4.908 -1.830 1.00 0.00 H new ATOM 0 HA HIS A 36 12.246 3.522 -4.310 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.067 6.092 -3.586 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.741 6.121 -4.106 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.238 5.208 -5.726 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.927 6.406 -8.779 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.531 5.714 -8.266 1.00 0.00 H new ATOM 547 N PRO A 37 14.508 2.957 -5.231 1.00 0.00 N ATOM 548 CA PRO A 37 15.798 2.421 -5.677 1.00 0.00 C ATOM 549 C PRO A 37 16.759 3.517 -6.123 1.00 0.00 C ATOM 550 O PRO A 37 17.973 3.395 -5.963 1.00 0.00 O ATOM 551 CB PRO A 37 15.419 1.527 -6.860 1.00 0.00 C ATOM 552 CG PRO A 37 14.139 2.093 -7.369 1.00 0.00 C ATOM 553 CD PRO A 37 13.417 2.633 -6.165 1.00 0.00 C ATOM 0 HA PRO A 37 16.320 1.895 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.191 1.540 -7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.297 0.490 -6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.324 2.881 -8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.545 1.328 -7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.825 3.514 -6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.732 1.897 -5.743 1.00 0.00 H new ATOM 561 N ASP A 38 16.207 4.588 -6.684 1.00 0.00 N ATOM 562 CA ASP A 38 17.016 5.708 -7.152 1.00 0.00 C ATOM 563 C ASP A 38 17.511 6.548 -5.980 1.00 0.00 C ATOM 564 O ASP A 38 18.522 7.244 -6.083 1.00 0.00 O ATOM 565 CB ASP A 38 16.209 6.579 -8.116 1.00 0.00 C ATOM 566 CG ASP A 38 16.349 6.130 -9.558 1.00 0.00 C ATOM 567 OD1 ASP A 38 16.328 4.906 -9.803 1.00 0.00 O ATOM 568 OD2 ASP A 38 16.478 7.004 -10.440 1.00 0.00 O ATOM 0 H ASP A 38 15.204 4.704 -6.826 1.00 0.00 H new ATOM 0 HA ASP A 38 17.882 5.305 -7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.157 6.553 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.538 7.614 -8.027 1.00 0.00 H new ATOM 573 N LYS A 39 16.793 6.480 -4.864 1.00 0.00 N ATOM 574 CA LYS A 39 17.158 7.235 -3.671 1.00 0.00 C ATOM 575 C LYS A 39 17.894 6.348 -2.671 1.00 0.00 C ATOM 576 O LYS A 39 19.064 6.577 -2.369 1.00 0.00 O ATOM 577 CB LYS A 39 15.909 7.831 -3.018 1.00 0.00 C ATOM 578 CG LYS A 39 15.289 8.966 -3.814 1.00 0.00 C ATOM 579 CD LYS A 39 14.521 9.922 -2.917 1.00 0.00 C ATOM 580 CE LYS A 39 14.178 11.214 -3.644 1.00 0.00 C ATOM 581 NZ LYS A 39 15.313 12.178 -3.627 1.00 0.00 N ATOM 0 H LYS A 39 15.954 5.909 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 39 17.824 8.044 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.167 7.043 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.168 8.195 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.071 9.511 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.619 8.557 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.605 9.443 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.115 10.148 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.908 10.989 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.305 11.672 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.040 13.045 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.555 12.412 -2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.138 11.751 -4.094 1.00 0.00 H new ATOM 595 N ASN A 40 17.199 5.335 -2.163 1.00 0.00 N ATOM 596 CA ASN A 40 17.788 4.414 -1.197 1.00 0.00 C ATOM 597 C ASN A 40 18.781 3.476 -1.877 1.00 0.00 C ATOM 598 O ASN A 40 18.390 2.533 -2.566 1.00 0.00 O ATOM 599 CB ASN A 40 16.693 3.600 -0.504 1.00 0.00 C ATOM 600 CG ASN A 40 17.121 3.101 0.862 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.312 2.959 1.138 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.148 2.830 1.724 1.00 0.00 N ATOM 0 H ASN A 40 16.229 5.131 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 40 18.322 5.002 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.799 4.214 -0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.424 2.750 -1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.375 2.489 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.174 2.963 1.452 1.00 0.00 H new ATOM 609 N HIS A 41 20.068 3.740 -1.676 1.00 0.00 N ATOM 610 CA HIS A 41 21.119 2.919 -2.268 1.00 0.00 C ATOM 611 C HIS A 41 21.493 1.765 -1.343 1.00 0.00 C ATOM 612 O HIS A 41 22.661 1.392 -1.241 1.00 0.00 O ATOM 613 CB HIS A 41 22.353 3.770 -2.567 1.00 0.00 C ATOM 614 CG HIS A 41 22.080 4.920 -3.486 1.00 0.00 C ATOM 615 ND1 HIS A 41 22.004 4.787 -4.856 1.00 0.00 N ATOM 616 CD2 HIS A 41 21.863 6.230 -3.224 1.00 0.00 C ATOM 617 CE1 HIS A 41 21.753 5.965 -5.398 1.00 0.00 C ATOM 618 NE2 HIS A 41 21.662 6.858 -4.429 1.00 0.00 N ATOM 0 H HIS A 41 20.409 4.516 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 41 20.739 2.504 -3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 41 22.756 4.153 -1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 41 23.122 3.137 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 41 21.850 6.695 -2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 41 21.641 6.164 -6.454 1.00 0.00 H new ATOM 0 HE2 HIS A 41 21.473 7.852 -4.555 1.00 0.00 H new ATOM 626 N ALA A 42 20.493 1.205 -0.669 1.00 0.00 N ATOM 627 CA ALA A 42 20.717 0.094 0.246 1.00 0.00 C ATOM 628 C ALA A 42 19.822 -1.091 -0.099 1.00 0.00 C ATOM 629 O ALA A 42 18.675 -0.932 -0.517 1.00 0.00 O ATOM 630 CB ALA A 42 20.480 0.537 1.682 1.00 0.00 C ATOM 0 H ALA A 42 19.520 1.503 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 42 21.754 -0.226 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.651 -0.303 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.166 1.347 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.453 0.885 1.790 1.00 0.00 H new ATOM 636 N PRO A 43 20.355 -2.309 0.080 1.00 0.00 N ATOM 637 CA PRO A 43 19.621 -3.545 -0.207 1.00 0.00 C ATOM 638 C PRO A 43 18.487 -3.789 0.784 1.00 0.00 C ATOM 639 O PRO A 43 18.626 -3.526 1.977 1.00 0.00 O ATOM 640 CB PRO A 43 20.690 -4.632 -0.075 1.00 0.00 C ATOM 641 CG PRO A 43 21.707 -4.052 0.846 1.00 0.00 C ATOM 642 CD PRO A 43 21.716 -2.573 0.576 1.00 0.00 C ATOM 0 HA PRO A 43 19.142 -3.517 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 43 20.270 -5.553 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.127 -4.878 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 43 21.453 -4.257 1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 43 22.690 -4.487 0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.933 -2.001 1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.472 -2.304 -0.162 1.00 0.00 H new ATOM 650 N GLY A 44 17.365 -4.293 0.280 1.00 0.00 N ATOM 651 CA GLY A 44 16.224 -4.564 1.135 1.00 0.00 C ATOM 652 C GLY A 44 15.165 -3.484 1.048 1.00 0.00 C ATOM 653 O GLY A 44 14.030 -3.748 0.651 1.00 0.00 O ATOM 0 H GLY A 44 17.226 -4.519 -0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.785 -5.522 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.561 -4.656 2.167 1.00 0.00 H new ATOM 657 N ALA A 45 15.535 -2.263 1.421 1.00 0.00 N ATOM 658 CA ALA A 45 14.608 -1.139 1.384 1.00 0.00 C ATOM 659 C ALA A 45 13.783 -1.150 0.101 1.00 0.00 C ATOM 660 O ALA A 45 12.553 -1.198 0.140 1.00 0.00 O ATOM 661 CB ALA A 45 15.365 0.174 1.515 1.00 0.00 C ATOM 0 H ALA A 45 16.470 -2.027 1.752 1.00 0.00 H new ATOM 0 HA ALA A 45 13.923 -1.237 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.660 1.005 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.905 0.190 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.073 0.270 0.692 1.00 0.00 H new ATOM 667 N THR A 46 14.468 -1.105 -1.038 1.00 0.00 N ATOM 668 CA THR A 46 13.800 -1.107 -2.333 1.00 0.00 C ATOM 669 C THR A 46 12.896 -2.326 -2.482 1.00 0.00 C ATOM 670 O THR A 46 11.713 -2.197 -2.797 1.00 0.00 O ATOM 671 CB THR A 46 14.816 -1.092 -3.490 1.00 0.00 C ATOM 672 OG1 THR A 46 15.839 -0.124 -3.231 1.00 0.00 O ATOM 673 CG2 THR A 46 14.130 -0.770 -4.809 1.00 0.00 C ATOM 0 H THR A 46 15.486 -1.067 -1.089 1.00 0.00 H new ATOM 0 HA THR A 46 13.196 -0.201 -2.379 1.00 0.00 H new ATOM 0 HB THR A 46 15.264 -2.083 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.482 -0.122 -3.970 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.868 -0.765 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.371 -1.524 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.658 0.211 -4.744 1.00 0.00 H new ATOM 681 N GLU A 47 13.460 -3.507 -2.253 1.00 0.00 N ATOM 682 CA GLU A 47 12.702 -4.749 -2.362 1.00 0.00 C ATOM 683 C GLU A 47 11.302 -4.585 -1.778 1.00 0.00 C ATOM 684 O GLU A 47 10.344 -5.190 -2.258 1.00 0.00 O ATOM 685 CB GLU A 47 13.436 -5.884 -1.646 1.00 0.00 C ATOM 686 CG GLU A 47 14.625 -6.425 -2.422 1.00 0.00 C ATOM 687 CD GLU A 47 14.926 -7.874 -2.092 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.233 -8.761 -2.633 1.00 0.00 O ATOM 689 OE2 GLU A 47 15.855 -8.122 -1.295 1.00 0.00 O ATOM 0 H GLU A 47 14.438 -3.631 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 47 12.609 -4.997 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.779 -5.528 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.735 -6.697 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.429 -6.333 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.503 -5.817 -2.205 1.00 0.00 H new ATOM 696 N ALA A 48 11.193 -3.763 -0.740 1.00 0.00 N ATOM 697 CA ALA A 48 9.911 -3.518 -0.091 1.00 0.00 C ATOM 698 C ALA A 48 9.001 -2.673 -0.975 1.00 0.00 C ATOM 699 O ALA A 48 7.802 -2.933 -1.078 1.00 0.00 O ATOM 700 CB ALA A 48 10.121 -2.840 1.255 1.00 0.00 C ATOM 0 H ALA A 48 11.977 -3.255 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 48 9.425 -4.480 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.155 -2.663 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.727 -3.482 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.632 -1.889 1.107 1.00 0.00 H new ATOM 706 N PHE A 49 9.578 -1.658 -1.611 1.00 0.00 N ATOM 707 CA PHE A 49 8.817 -0.773 -2.485 1.00 0.00 C ATOM 708 C PHE A 49 7.890 -1.572 -3.396 1.00 0.00 C ATOM 709 O PHE A 49 6.710 -1.249 -3.538 1.00 0.00 O ATOM 710 CB PHE A 49 9.765 0.083 -3.329 1.00 0.00 C ATOM 711 CG PHE A 49 9.057 0.977 -4.306 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.816 1.512 -4.002 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.632 1.281 -5.529 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.161 2.335 -4.899 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.982 2.104 -6.430 1.00 0.00 C ATOM 716 CZ PHE A 49 7.745 2.630 -6.115 1.00 0.00 C ATOM 0 H PHE A 49 10.569 -1.428 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 49 8.208 -0.121 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.376 0.695 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.444 -0.572 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.355 1.283 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.599 0.871 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.194 2.747 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.442 2.335 -7.380 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.235 3.271 -6.819 1.00 0.00 H new ATOM 726 N LYS A 50 8.432 -2.617 -4.012 1.00 0.00 N ATOM 727 CA LYS A 50 7.655 -3.465 -4.908 1.00 0.00 C ATOM 728 C LYS A 50 6.329 -3.862 -4.269 1.00 0.00 C ATOM 729 O LYS A 50 5.282 -3.829 -4.915 1.00 0.00 O ATOM 730 CB LYS A 50 8.452 -4.719 -5.276 1.00 0.00 C ATOM 731 CG LYS A 50 8.245 -5.875 -4.313 1.00 0.00 C ATOM 732 CD LYS A 50 9.176 -7.034 -4.625 1.00 0.00 C ATOM 733 CE LYS A 50 8.632 -7.898 -5.753 1.00 0.00 C ATOM 734 NZ LYS A 50 7.749 -8.983 -5.243 1.00 0.00 N ATOM 0 H LYS A 50 9.407 -2.897 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 50 7.445 -2.896 -5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.169 -5.038 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.512 -4.469 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.416 -5.534 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.210 -6.214 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.158 -6.649 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.312 -7.643 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.075 -7.274 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.462 -8.336 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.398 -9.549 -6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.287 -9.593 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.943 -8.565 -4.735 1.00 0.00 H new ATOM 748 N ALA A 51 6.380 -4.236 -2.994 1.00 0.00 N ATOM 749 CA ALA A 51 5.182 -4.636 -2.267 1.00 0.00 C ATOM 750 C ALA A 51 4.276 -3.439 -2.001 1.00 0.00 C ATOM 751 O ALA A 51 3.081 -3.476 -2.295 1.00 0.00 O ATOM 752 CB ALA A 51 5.561 -5.315 -0.958 1.00 0.00 C ATOM 0 H ALA A 51 7.238 -4.270 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 51 4.631 -5.345 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.657 -5.609 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.162 -6.200 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.136 -4.623 -0.343 1.00 0.00 H new ATOM 758 N ILE A 52 4.851 -2.380 -1.443 1.00 0.00 N ATOM 759 CA ILE A 52 4.095 -1.172 -1.138 1.00 0.00 C ATOM 760 C ILE A 52 3.149 -0.813 -2.279 1.00 0.00 C ATOM 761 O ILE A 52 1.930 -0.905 -2.141 1.00 0.00 O ATOM 762 CB ILE A 52 5.028 0.023 -0.865 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.169 -0.395 0.065 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.244 1.180 -0.264 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.943 0.773 0.633 1.00 0.00 C ATOM 0 H ILE A 52 5.839 -2.334 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 52 3.515 -1.382 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 52 5.458 0.353 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.760 -0.984 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.854 -1.043 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.917 2.017 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.463 1.490 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.789 0.863 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.736 0.403 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.381 1.350 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.271 1.410 1.208 1.00 0.00 H new ATOM 777 N GLY A 53 3.720 -0.405 -3.408 1.00 0.00 N ATOM 778 CA GLY A 53 2.913 -0.040 -4.558 1.00 0.00 C ATOM 779 C GLY A 53 1.722 -0.959 -4.745 1.00 0.00 C ATOM 780 O GLY A 53 0.590 -0.499 -4.898 1.00 0.00 O ATOM 0 H GLY A 53 4.727 -0.321 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.562 0.985 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.532 -0.065 -5.455 1.00 0.00 H new ATOM 784 N THR A 54 1.976 -2.264 -4.735 1.00 0.00 N ATOM 785 CA THR A 54 0.917 -3.250 -4.908 1.00 0.00 C ATOM 786 C THR A 54 -0.285 -2.927 -4.028 1.00 0.00 C ATOM 787 O THR A 54 -1.426 -2.944 -4.488 1.00 0.00 O ATOM 788 CB THR A 54 1.412 -4.671 -4.578 1.00 0.00 C ATOM 789 OG1 THR A 54 2.596 -4.964 -5.330 1.00 0.00 O ATOM 790 CG2 THR A 54 0.340 -5.704 -4.889 1.00 0.00 C ATOM 0 H THR A 54 2.906 -2.662 -4.609 1.00 0.00 H new ATOM 0 HA THR A 54 0.618 -3.211 -5.956 1.00 0.00 H new ATOM 0 HB THR A 54 1.638 -4.715 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.372 -4.557 -4.891 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.713 -6.699 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.549 -5.496 -4.294 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.087 -5.658 -5.948 1.00 0.00 H new ATOM 798 N ALA A 55 -0.021 -2.631 -2.759 1.00 0.00 N ATOM 799 CA ALA A 55 -1.081 -2.300 -1.815 1.00 0.00 C ATOM 800 C ALA A 55 -1.812 -1.029 -2.234 1.00 0.00 C ATOM 801 O ALA A 55 -3.035 -1.025 -2.379 1.00 0.00 O ATOM 802 CB ALA A 55 -0.510 -2.145 -0.413 1.00 0.00 C ATOM 0 H ALA A 55 0.918 -2.614 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.801 -3.118 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.313 -1.898 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.040 -3.079 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.232 -1.347 -0.409 1.00 0.00 H new ATOM 808 N TYR A 56 -1.057 0.046 -2.426 1.00 0.00 N ATOM 809 CA TYR A 56 -1.635 1.324 -2.825 1.00 0.00 C ATOM 810 C TYR A 56 -2.504 1.165 -4.068 1.00 0.00 C ATOM 811 O TYR A 56 -3.688 1.499 -4.059 1.00 0.00 O ATOM 812 CB TYR A 56 -0.528 2.347 -3.090 1.00 0.00 C ATOM 813 CG TYR A 56 -1.047 3.714 -3.476 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.719 4.509 -2.556 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.865 4.210 -4.761 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.195 5.758 -2.904 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.336 5.459 -5.118 1.00 0.00 C ATOM 818 CZ TYR A 56 -2.001 6.228 -4.186 1.00 0.00 C ATOM 819 OH TYR A 56 -2.473 7.473 -4.537 1.00 0.00 O ATOM 0 H TYR A 56 -0.043 0.059 -2.312 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.263 1.681 -2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.090 2.441 -2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.117 1.974 -3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.872 4.144 -1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.347 3.609 -5.493 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.716 6.363 -2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.184 5.831 -6.121 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.253 7.654 -5.475 1.00 0.00 H new ATOM 829 N ALA A 57 -1.906 0.651 -5.138 1.00 0.00 N ATOM 830 CA ALA A 57 -2.625 0.443 -6.389 1.00 0.00 C ATOM 831 C ALA A 57 -4.013 -0.135 -6.136 1.00 0.00 C ATOM 832 O ALA A 57 -4.978 0.223 -6.810 1.00 0.00 O ATOM 833 CB ALA A 57 -1.830 -0.471 -7.309 1.00 0.00 C ATOM 0 H ALA A 57 -0.926 0.371 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.747 1.412 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.379 -0.618 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.863 -0.017 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.678 -1.434 -6.822 1.00 0.00 H new ATOM 839 N VAL A 58 -4.106 -1.032 -5.159 1.00 0.00 N ATOM 840 CA VAL A 58 -5.376 -1.660 -4.816 1.00 0.00 C ATOM 841 C VAL A 58 -6.306 -0.674 -4.118 1.00 0.00 C ATOM 842 O VAL A 58 -7.357 -0.312 -4.649 1.00 0.00 O ATOM 843 CB VAL A 58 -5.169 -2.886 -3.907 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.508 -3.443 -3.448 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.357 -3.952 -4.627 1.00 0.00 C ATOM 0 H VAL A 58 -3.317 -1.340 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.831 -1.984 -5.752 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.612 -2.572 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.341 -4.309 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.049 -2.678 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.095 -3.742 -4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.220 -4.811 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.885 -4.265 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.383 -3.545 -4.900 1.00 0.00 H new ATOM 855 N LEU A 59 -5.912 -0.243 -2.925 1.00 0.00 N ATOM 856 CA LEU A 59 -6.710 0.703 -2.152 1.00 0.00 C ATOM 857 C LEU A 59 -6.935 1.993 -2.935 1.00 0.00 C ATOM 858 O LEU A 59 -8.073 2.376 -3.205 1.00 0.00 O ATOM 859 CB LEU A 59 -6.021 1.014 -0.822 1.00 0.00 C ATOM 860 CG LEU A 59 -5.826 -0.170 0.126 1.00 0.00 C ATOM 861 CD1 LEU A 59 -4.998 0.244 1.333 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.171 -0.729 0.566 1.00 0.00 C ATOM 0 H LEU A 59 -5.045 -0.533 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.680 0.246 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.044 1.448 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.603 1.776 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.287 -0.953 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.869 -0.611 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.021 0.596 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.509 1.045 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.012 -1.571 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.736 0.047 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.729 -1.064 -0.308 1.00 0.00 H new ATOM 874 N SER A 60 -5.843 2.657 -3.298 1.00 0.00 N ATOM 875 CA SER A 60 -5.921 3.905 -4.049 1.00 0.00 C ATOM 876 C SER A 60 -7.055 3.855 -5.068 1.00 0.00 C ATOM 877 O SER A 60 -7.759 4.842 -5.277 1.00 0.00 O ATOM 878 CB SER A 60 -4.594 4.181 -4.758 1.00 0.00 C ATOM 879 OG SER A 60 -4.482 3.416 -5.946 1.00 0.00 O ATOM 0 H SER A 60 -4.893 2.352 -3.084 1.00 0.00 H new ATOM 0 HA SER A 60 -6.124 4.713 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.519 5.242 -4.996 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.765 3.945 -4.090 1.00 0.00 H new ATOM 0 HG SER A 60 -4.223 2.498 -5.721 1.00 0.00 H new ATOM 885 N ASN A 61 -7.225 2.698 -5.699 1.00 0.00 N ATOM 886 CA ASN A 61 -8.273 2.518 -6.697 1.00 0.00 C ATOM 887 C ASN A 61 -9.565 2.030 -6.048 1.00 0.00 C ATOM 888 O ASN A 61 -9.554 1.248 -5.097 1.00 0.00 O ATOM 889 CB ASN A 61 -7.821 1.524 -7.769 1.00 0.00 C ATOM 890 CG ASN A 61 -6.896 2.157 -8.791 1.00 0.00 C ATOM 891 OD1 ASN A 61 -6.648 3.363 -8.757 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.382 1.345 -9.706 1.00 0.00 N ATOM 0 H ASN A 61 -6.650 1.871 -5.537 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.464 3.484 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.312 0.686 -7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.696 1.119 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.753 1.714 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.615 0.352 -9.696 1.00 0.00 H new ATOM 899 N PRO A 62 -10.706 2.502 -6.573 1.00 0.00 N ATOM 900 CA PRO A 62 -12.027 2.126 -6.061 1.00 0.00 C ATOM 901 C PRO A 62 -12.374 0.672 -6.364 1.00 0.00 C ATOM 902 O PRO A 62 -12.775 -0.077 -5.474 1.00 0.00 O ATOM 903 CB PRO A 62 -12.976 3.068 -6.805 1.00 0.00 C ATOM 904 CG PRO A 62 -12.255 3.420 -8.060 1.00 0.00 C ATOM 905 CD PRO A 62 -10.793 3.437 -7.706 1.00 0.00 C ATOM 0 HA PRO A 62 -12.083 2.211 -4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.928 2.583 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.197 3.956 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.458 2.691 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.577 4.391 -8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.173 3.114 -8.542 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.458 4.437 -7.429 1.00 0.00 H new ATOM 913 N GLU A 63 -12.216 0.281 -7.624 1.00 0.00 N ATOM 914 CA GLU A 63 -12.514 -1.084 -8.042 1.00 0.00 C ATOM 915 C GLU A 63 -11.723 -2.092 -7.213 1.00 0.00 C ATOM 916 O GLU A 63 -12.299 -2.938 -6.529 1.00 0.00 O ATOM 917 CB GLU A 63 -12.195 -1.267 -9.528 1.00 0.00 C ATOM 918 CG GLU A 63 -13.050 -2.322 -10.208 1.00 0.00 C ATOM 919 CD GLU A 63 -12.820 -3.712 -9.646 1.00 0.00 C ATOM 920 OE1 GLU A 63 -11.670 -4.012 -9.261 1.00 0.00 O ATOM 921 OE2 GLU A 63 -13.788 -4.498 -9.590 1.00 0.00 O ATOM 0 H GLU A 63 -11.884 0.889 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.577 -1.262 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.332 -0.315 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.145 -1.538 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.102 -2.059 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.834 -2.326 -11.276 1.00 0.00 H new ATOM 928 N LYS A 64 -10.400 -1.995 -7.280 1.00 0.00 N ATOM 929 CA LYS A 64 -9.528 -2.896 -6.536 1.00 0.00 C ATOM 930 C LYS A 64 -9.835 -2.841 -5.043 1.00 0.00 C ATOM 931 O LYS A 64 -9.748 -3.851 -4.344 1.00 0.00 O ATOM 932 CB LYS A 64 -8.060 -2.535 -6.779 1.00 0.00 C ATOM 933 CG LYS A 64 -7.604 -2.774 -8.208 1.00 0.00 C ATOM 934 CD LYS A 64 -6.103 -2.589 -8.352 1.00 0.00 C ATOM 935 CE LYS A 64 -5.590 -3.186 -9.653 1.00 0.00 C ATOM 936 NZ LYS A 64 -5.236 -4.625 -9.502 1.00 0.00 N ATOM 0 H LYS A 64 -9.908 -1.301 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.710 -3.911 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.906 -1.485 -6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.434 -3.119 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.878 -3.783 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.122 -2.086 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.861 -1.527 -8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.595 -3.059 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.350 -3.078 -10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.714 -2.630 -9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.891 -4.995 -10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.492 -4.726 -8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.078 -5.161 -9.208 1.00 0.00 H new ATOM 950 N ARG A 65 -10.196 -1.656 -4.561 1.00 0.00 N ATOM 951 CA ARG A 65 -10.516 -1.471 -3.151 1.00 0.00 C ATOM 952 C ARG A 65 -11.789 -2.226 -2.778 1.00 0.00 C ATOM 953 O ARG A 65 -11.839 -2.915 -1.759 1.00 0.00 O ATOM 954 CB ARG A 65 -10.683 0.017 -2.835 1.00 0.00 C ATOM 955 CG ARG A 65 -11.119 0.291 -1.405 1.00 0.00 C ATOM 956 CD ARG A 65 -10.998 1.767 -1.059 1.00 0.00 C ATOM 957 NE ARG A 65 -11.033 1.996 0.383 1.00 0.00 N ATOM 958 CZ ARG A 65 -11.150 3.199 0.933 1.00 0.00 C ATOM 959 NH1 ARG A 65 -11.244 4.276 0.166 1.00 0.00 N ATOM 960 NH2 ARG A 65 -11.174 3.326 2.254 1.00 0.00 N ATOM 0 H ARG A 65 -10.274 -0.810 -5.126 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.691 -1.871 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.738 0.528 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.417 0.445 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.151 -0.032 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.509 -0.296 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.066 2.159 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.810 2.318 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.964 1.188 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.227 4.182 -0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.334 5.199 0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.103 2.499 2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.264 4.250 2.676 1.00 0.00 H new ATOM 974 N LYS A 66 -12.815 -2.092 -3.611 1.00 0.00 N ATOM 975 CA LYS A 66 -14.088 -2.762 -3.371 1.00 0.00 C ATOM 976 C LYS A 66 -13.869 -4.158 -2.799 1.00 0.00 C ATOM 977 O LYS A 66 -14.298 -4.456 -1.685 1.00 0.00 O ATOM 978 CB LYS A 66 -14.893 -2.851 -4.670 1.00 0.00 C ATOM 979 CG LYS A 66 -15.461 -1.519 -5.127 1.00 0.00 C ATOM 980 CD LYS A 66 -16.758 -1.700 -5.898 1.00 0.00 C ATOM 981 CE LYS A 66 -16.507 -2.285 -7.280 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.615 -1.971 -8.224 1.00 0.00 N ATOM 0 H LYS A 66 -12.790 -1.525 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.648 -2.175 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.254 -3.253 -5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.712 -3.557 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.638 -0.882 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.732 -1.008 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.426 -2.356 -5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.263 -0.739 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.570 -1.893 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.392 -3.366 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.407 -2.387 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.505 -2.367 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.708 -0.940 -8.319 1.00 0.00 H new ATOM 996 N GLN A 67 -13.198 -5.010 -3.569 1.00 0.00 N ATOM 997 CA GLN A 67 -12.922 -6.375 -3.137 1.00 0.00 C ATOM 998 C GLN A 67 -12.268 -6.388 -1.759 1.00 0.00 C ATOM 999 O GLN A 67 -12.494 -7.298 -0.962 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.019 -7.080 -4.150 1.00 0.00 C ATOM 1001 CG GLN A 67 -10.536 -6.839 -3.915 1.00 0.00 C ATOM 1002 CD GLN A 67 -9.935 -7.820 -2.929 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -9.336 -7.425 -1.928 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -10.091 -9.110 -3.206 1.00 0.00 N ATOM 0 H GLN A 67 -12.836 -4.779 -4.494 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.871 -6.908 -3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.214 -8.152 -4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.279 -6.742 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.005 -6.912 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.391 -5.824 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.594 -9.394 -4.046 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.707 -9.816 -2.578 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.456 -5.373 -1.486 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.766 -5.269 -0.205 1.00 0.00 C ATOM 1015 C TYR A 68 -11.743 -4.915 0.912 1.00 0.00 C ATOM 1016 O TYR A 68 -11.692 -5.487 2.001 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.658 -4.217 -0.282 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.809 -4.140 0.966 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.708 -4.971 1.133 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -9.107 -3.236 1.978 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.930 -4.905 2.273 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -8.333 -3.162 3.120 1.00 0.00 C ATOM 1023 CZ TYR A 68 -7.246 -3.998 3.263 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.473 -3.928 4.399 1.00 0.00 O ATOM 0 H TYR A 68 -11.259 -4.610 -2.134 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.321 -6.239 0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.016 -4.439 -1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.107 -3.241 -0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.456 -5.680 0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.958 -2.580 1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.079 -5.560 2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.578 -2.453 3.897 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.571 -3.042 4.807 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.631 -3.967 0.634 1.00 0.00 N ATOM 1035 CA ASP A 69 -13.622 -3.536 1.613 1.00 0.00 C ATOM 1036 C ASP A 69 -14.653 -4.632 1.861 1.00 0.00 C ATOM 1037 O ASP A 69 -15.140 -4.797 2.980 1.00 0.00 O ATOM 1038 CB ASP A 69 -14.319 -2.260 1.138 1.00 0.00 C ATOM 1039 CG ASP A 69 -13.554 -1.007 1.515 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -12.978 -0.974 2.623 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.530 -0.060 0.703 1.00 0.00 O ATOM 0 H ASP A 69 -12.685 -3.482 -0.262 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.105 -3.330 2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.439 -2.297 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.319 -2.214 1.568 1.00 0.00 H new ATOM 1046 N GLN A 70 -14.982 -5.377 0.811 1.00 0.00 N ATOM 1047 CA GLN A 70 -15.958 -6.455 0.915 1.00 0.00 C ATOM 1048 C GLN A 70 -15.404 -7.612 1.742 1.00 0.00 C ATOM 1049 O GLN A 70 -15.965 -7.973 2.777 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.353 -6.951 -0.477 1.00 0.00 C ATOM 1051 CG GLN A 70 -17.517 -6.187 -1.087 1.00 0.00 C ATOM 1052 CD GLN A 70 -17.453 -6.138 -2.601 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -17.162 -7.141 -3.254 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -17.726 -4.969 -3.168 1.00 0.00 N ATOM 0 H GLN A 70 -14.587 -5.254 -0.121 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.843 -6.063 1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.491 -6.873 -1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.614 -8.007 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -18.453 -6.654 -0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.525 -5.170 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.962 -4.164 -2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.699 -4.876 -4.183 1.00 0.00 H new ATOM 1063 N PHE A 71 -14.301 -8.189 1.277 1.00 0.00 N ATOM 1064 CA PHE A 71 -13.672 -9.306 1.973 1.00 0.00 C ATOM 1065 C PHE A 71 -12.419 -8.849 2.715 1.00 0.00 C ATOM 1066 O PHE A 71 -12.388 -8.820 3.944 1.00 0.00 O ATOM 1067 CB PHE A 71 -13.315 -10.416 0.982 1.00 0.00 C ATOM 1068 CG PHE A 71 -14.253 -10.498 -0.189 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -15.615 -10.661 0.008 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -13.773 -10.413 -1.485 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -16.480 -10.738 -1.067 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -14.633 -10.489 -2.565 1.00 0.00 C ATOM 1073 CZ PHE A 71 -15.988 -10.651 -2.355 1.00 0.00 C ATOM 0 H PHE A 71 -13.824 -7.902 0.422 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.383 -9.694 2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.302 -10.253 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -13.314 -11.373 1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -16.005 -10.729 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -12.714 -10.286 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -17.539 -10.866 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -14.246 -10.422 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.662 -10.710 -3.197 1.00 0.00 H new ATOM 1083 N GLY A 72 -11.387 -8.493 1.956 1.00 0.00 N ATOM 1084 CA GLY A 72 -10.145 -8.042 2.558 1.00 0.00 C ATOM 1085 C GLY A 72 -8.953 -8.866 2.113 1.00 0.00 C ATOM 1086 O GLY A 72 -8.783 -10.007 2.543 1.00 0.00 O ATOM 0 H GLY A 72 -11.388 -8.509 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.978 -6.997 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.232 -8.091 3.643 1.00 0.00 H new ATOM 1090 N SER A 73 -8.126 -8.288 1.248 1.00 0.00 N ATOM 1091 CA SER A 73 -6.946 -8.979 0.740 1.00 0.00 C ATOM 1092 C SER A 73 -7.225 -10.467 0.558 1.00 0.00 C ATOM 1093 O SER A 73 -6.407 -11.312 0.920 1.00 0.00 O ATOM 1094 CB SER A 73 -5.765 -8.782 1.692 1.00 0.00 C ATOM 1095 OG SER A 73 -5.019 -7.628 1.347 1.00 0.00 O ATOM 0 H SER A 73 -8.251 -7.343 0.884 1.00 0.00 H new ATOM 0 HA SER A 73 -6.695 -8.553 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.130 -8.691 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.119 -9.659 1.661 1.00 0.00 H new ATOM 0 HG SER A 73 -5.374 -7.245 0.518 1.00 0.00 H new ATOM 1101 N GLY A 74 -8.387 -10.781 -0.007 1.00 0.00 N ATOM 1102 CA GLY A 74 -8.754 -12.168 -0.228 1.00 0.00 C ATOM 1103 C GLY A 74 -8.204 -12.712 -1.531 1.00 0.00 C ATOM 1104 O GLY A 74 -8.085 -11.998 -2.527 1.00 0.00 O ATOM 0 H GLY A 74 -9.081 -10.100 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.386 -12.774 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.840 -12.257 -0.230 1.00 0.00 H new ATOM 1108 N PRO A 75 -7.856 -14.008 -1.536 1.00 0.00 N ATOM 1109 CA PRO A 75 -7.309 -14.677 -2.720 1.00 0.00 C ATOM 1110 C PRO A 75 -8.350 -14.851 -3.820 1.00 0.00 C ATOM 1111 O PRO A 75 -9.544 -14.966 -3.545 1.00 0.00 O ATOM 1112 CB PRO A 75 -6.864 -16.039 -2.184 1.00 0.00 C ATOM 1113 CG PRO A 75 -7.721 -16.274 -0.988 1.00 0.00 C ATOM 1114 CD PRO A 75 -7.972 -14.920 -0.385 1.00 0.00 C ATOM 0 HA PRO A 75 -6.505 -14.101 -3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.002 -16.822 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.807 -16.034 -1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.658 -16.756 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -7.224 -16.932 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.958 -14.862 0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.243 -14.684 0.390 1.00 0.00 H new ATOM 1122 N SER A 76 -7.889 -14.871 -5.067 1.00 0.00 N ATOM 1123 CA SER A 76 -8.782 -15.028 -6.209 1.00 0.00 C ATOM 1124 C SER A 76 -9.628 -16.289 -6.068 1.00 0.00 C ATOM 1125 O SER A 76 -10.836 -16.270 -6.308 1.00 0.00 O ATOM 1126 CB SER A 76 -7.976 -15.084 -7.509 1.00 0.00 C ATOM 1127 OG SER A 76 -6.953 -16.062 -7.433 1.00 0.00 O ATOM 0 H SER A 76 -6.903 -14.780 -5.312 1.00 0.00 H new ATOM 0 HA SER A 76 -9.448 -14.166 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.640 -15.312 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.536 -14.107 -7.710 1.00 0.00 H new ATOM 0 HG SER A 76 -6.454 -16.079 -8.276 1.00 0.00 H new ATOM 1133 N SER A 77 -8.986 -17.385 -5.675 1.00 0.00 N ATOM 1134 CA SER A 77 -9.678 -18.657 -5.505 1.00 0.00 C ATOM 1135 C SER A 77 -9.505 -19.183 -4.083 1.00 0.00 C ATOM 1136 O SER A 77 -8.595 -19.963 -3.804 1.00 0.00 O ATOM 1137 CB SER A 77 -9.154 -19.685 -6.509 1.00 0.00 C ATOM 1138 OG SER A 77 -9.598 -20.990 -6.181 1.00 0.00 O ATOM 0 H SER A 77 -7.988 -17.417 -5.468 1.00 0.00 H new ATOM 0 HA SER A 77 -10.740 -18.492 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.492 -19.424 -7.512 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.064 -19.661 -6.524 1.00 0.00 H new ATOM 0 HG SER A 77 -9.251 -21.629 -6.838 1.00 0.00 H new ATOM 1144 N GLY A 78 -10.386 -18.751 -3.187 1.00 0.00 N ATOM 1145 CA GLY A 78 -10.315 -19.187 -1.805 1.00 0.00 C ATOM 1146 C GLY A 78 -10.097 -20.682 -1.680 1.00 0.00 C ATOM 1147 O GLY A 78 -10.941 -21.396 -1.139 1.00 0.00 O ATOM 0 H GLY A 78 -11.149 -18.106 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.503 -18.661 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.237 -18.913 -1.293 1.00 0.00 H new TER 1151 GLY A 78