USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 79 THR OG1 : rot 180:sc= -0.494 USER MOD Set 1.2: A 82 LYS NZ :NH3+ -113:sc= 1.7 (180deg=-0.435) USER MOD Set 2.1: A 69 THR OG1 : rot -73:sc= 0.334 USER MOD Set 2.2: A 73 GLN : amide:sc= -0.428 K(o=-0.093,f=-4.3!) USER MOD Set 3.1: A 40 THR OG1 : rot 150:sc= -2.39! USER MOD Set 3.2: A 77 ASN : amide:sc= -8.16! C(o=-11!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.083 (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 -59:sc= 0.156 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= 0.272 F(o=-0.55,f=0.27) USER MOD Single : A 22 MET CE :methyl -155:sc= -0.527 (180deg=-1.52!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -33:sc= 1.06 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= 0.755 (180deg=-1.68!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -6.36! C(o=-7.8!,f=-6.4!) USER MOD Single : A 44 GLN :FLIP amide:sc= -1.43 F(o=-3.4!,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00493) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.292 F(o=-0.91,f=-0.29) USER MOD Single : A 63 SER OG : rot 2:sc= 0.677 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 72:sc= 0.0748 USER MOD Single : A 70 SER OG : rot -160:sc= -0.299 USER MOD Single : A 72 THR OG1 : rot -32:sc= 0.472 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 21:sc= 0.0596 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.357 -5.313 24.103 1.00 0.00 N ATOM 2 CA GLY A 1 -14.589 -5.699 22.724 1.00 0.00 C ATOM 3 C GLY A 1 -13.748 -6.888 22.305 1.00 0.00 C ATOM 4 O GLY A 1 -12.829 -7.289 23.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.234 -5.432 24.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.611 -5.912 24.510 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.059 -4.317 24.139 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.644 -5.939 22.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.369 -4.854 22.072 1.00 0.00 H new ATOM 8 N SER A 2 -14.063 -7.455 21.145 1.00 0.00 N ATOM 9 CA SER A 2 -13.333 -8.609 20.635 1.00 0.00 C ATOM 10 C SER A 2 -13.781 -8.953 19.218 1.00 0.00 C ATOM 11 O SER A 2 -14.702 -8.338 18.680 1.00 0.00 O ATOM 12 CB SER A 2 -13.538 -9.816 21.553 1.00 0.00 C ATOM 13 OG SER A 2 -14.916 -10.056 21.779 1.00 0.00 O ATOM 0 H SER A 2 -14.819 -7.134 20.541 1.00 0.00 H new ATOM 0 HA SER A 2 -12.273 -8.355 20.611 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.080 -10.699 21.106 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.035 -9.643 22.504 1.00 0.00 H new ATOM 0 HG SER A 2 -15.021 -10.833 22.367 1.00 0.00 H new ATOM 19 N SER A 3 -13.123 -9.940 18.619 1.00 0.00 N ATOM 20 CA SER A 3 -13.450 -10.364 17.262 1.00 0.00 C ATOM 21 C SER A 3 -12.707 -11.647 16.900 1.00 0.00 C ATOM 22 O SER A 3 -11.707 -11.996 17.525 1.00 0.00 O ATOM 23 CB SER A 3 -13.101 -9.260 16.262 1.00 0.00 C ATOM 24 OG SER A 3 -13.945 -9.317 15.125 1.00 0.00 O ATOM 0 H SER A 3 -12.360 -10.461 19.051 1.00 0.00 H new ATOM 0 HA SER A 3 -14.521 -10.560 17.217 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.198 -8.286 16.742 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.061 -9.361 15.952 1.00 0.00 H new ATOM 0 HG SER A 3 -13.703 -8.600 14.502 1.00 0.00 H new ATOM 30 N GLY A 4 -13.206 -12.346 15.885 1.00 0.00 N ATOM 31 CA GLY A 4 -12.579 -13.582 15.456 1.00 0.00 C ATOM 32 C GLY A 4 -13.048 -14.025 14.085 1.00 0.00 C ATOM 33 O GLY A 4 -13.101 -13.226 13.151 1.00 0.00 O ATOM 0 H GLY A 4 -14.034 -12.078 15.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.497 -13.451 15.441 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.795 -14.366 16.181 1.00 0.00 H new ATOM 37 N SER A 5 -13.389 -15.304 13.963 1.00 0.00 N ATOM 38 CA SER A 5 -13.851 -15.854 12.694 1.00 0.00 C ATOM 39 C SER A 5 -13.050 -15.281 11.529 1.00 0.00 C ATOM 40 O SER A 5 -13.606 -14.941 10.485 1.00 0.00 O ATOM 41 CB SER A 5 -15.340 -15.558 12.497 1.00 0.00 C ATOM 42 OG SER A 5 -15.885 -16.355 11.460 1.00 0.00 O ATOM 0 H SER A 5 -13.354 -15.979 14.727 1.00 0.00 H new ATOM 0 HA SER A 5 -13.702 -16.933 12.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.878 -15.747 13.426 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.476 -14.503 12.259 1.00 0.00 H new ATOM 0 HG SER A 5 -15.405 -16.177 10.624 1.00 0.00 H new ATOM 48 N SER A 6 -11.738 -15.177 11.717 1.00 0.00 N ATOM 49 CA SER A 6 -10.858 -14.642 10.684 1.00 0.00 C ATOM 50 C SER A 6 -11.122 -15.317 9.342 1.00 0.00 C ATOM 51 O SER A 6 -10.738 -16.466 9.126 1.00 0.00 O ATOM 52 CB SER A 6 -9.394 -14.831 11.084 1.00 0.00 C ATOM 53 OG SER A 6 -8.523 -14.329 10.084 1.00 0.00 O ATOM 0 H SER A 6 -11.261 -15.456 12.574 1.00 0.00 H new ATOM 0 HA SER A 6 -11.065 -13.577 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.203 -14.320 12.027 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.192 -15.889 11.248 1.00 0.00 H new ATOM 0 HG SER A 6 -7.593 -14.460 10.364 1.00 0.00 H new ATOM 59 N GLY A 7 -11.782 -14.594 8.442 1.00 0.00 N ATOM 60 CA GLY A 7 -12.087 -15.138 7.132 1.00 0.00 C ATOM 61 C GLY A 7 -11.354 -14.416 6.019 1.00 0.00 C ATOM 62 O GLY A 7 -11.630 -13.251 5.739 1.00 0.00 O ATOM 0 H GLY A 7 -12.111 -13.641 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.823 -16.195 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.161 -15.074 6.957 1.00 0.00 H new ATOM 66 N ASN A 8 -10.415 -15.110 5.383 1.00 0.00 N ATOM 67 CA ASN A 8 -9.638 -14.527 4.296 1.00 0.00 C ATOM 68 C ASN A 8 -10.210 -14.931 2.941 1.00 0.00 C ATOM 69 O ASN A 8 -10.176 -16.103 2.564 1.00 0.00 O ATOM 70 CB ASN A 8 -8.175 -14.965 4.395 1.00 0.00 C ATOM 71 CG ASN A 8 -8.033 -16.425 4.780 1.00 0.00 C ATOM 72 OD1 ASN A 8 -7.572 -16.673 6.000 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -8.335 -17.319 3.989 1.00 0.00 N flip ATOM 0 H ASN A 8 -10.174 -16.077 5.602 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.693 -13.442 4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.682 -14.795 3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.662 -14.346 5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.686 -17.082 3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.235 -18.297 4.262 1.00 0.00 H new ATOM 80 N LEU A 9 -10.736 -13.953 2.212 1.00 0.00 N ATOM 81 CA LEU A 9 -11.316 -14.205 0.897 1.00 0.00 C ATOM 82 C LEU A 9 -11.505 -12.902 0.126 1.00 0.00 C ATOM 83 O LEU A 9 -11.741 -11.848 0.717 1.00 0.00 O ATOM 84 CB LEU A 9 -12.658 -14.925 1.039 1.00 0.00 C ATOM 85 CG LEU A 9 -13.793 -14.114 1.665 1.00 0.00 C ATOM 86 CD1 LEU A 9 -15.142 -14.705 1.288 1.00 0.00 C ATOM 87 CD2 LEU A 9 -13.637 -14.056 3.177 1.00 0.00 C ATOM 0 H LEU A 9 -10.773 -12.978 2.509 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.627 -14.839 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.977 -15.255 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.505 -15.821 1.640 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.744 -13.097 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.938 -14.115 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.255 -14.692 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.202 -15.732 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.454 -13.475 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.659 -15.067 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.686 -13.585 3.427 1.00 0.00 H new ATOM 99 N ASP A 10 -11.401 -12.983 -1.196 1.00 0.00 N ATOM 100 CA ASP A 10 -11.564 -11.811 -2.048 1.00 0.00 C ATOM 101 C ASP A 10 -12.006 -12.217 -3.451 1.00 0.00 C ATOM 102 O ASP A 10 -11.375 -13.055 -4.094 1.00 0.00 O ATOM 103 CB ASP A 10 -10.256 -11.022 -2.121 1.00 0.00 C ATOM 104 CG ASP A 10 -9.563 -10.924 -0.777 1.00 0.00 C ATOM 105 OD1 ASP A 10 -10.026 -10.134 0.074 1.00 0.00 O ATOM 106 OD2 ASP A 10 -8.559 -11.637 -0.574 1.00 0.00 O ATOM 0 H ASP A 10 -11.205 -13.847 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.337 -11.179 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.587 -11.499 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.461 -10.019 -2.495 1.00 0.00 H new ATOM 111 N ALA A 11 -13.097 -11.617 -3.918 1.00 0.00 N ATOM 112 CA ALA A 11 -13.623 -11.915 -5.244 1.00 0.00 C ATOM 113 C ALA A 11 -12.747 -11.305 -6.333 1.00 0.00 C ATOM 114 O ALA A 11 -12.205 -12.017 -7.180 1.00 0.00 O ATOM 115 CB ALA A 11 -15.053 -11.411 -5.370 1.00 0.00 C ATOM 0 H ALA A 11 -13.633 -10.922 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.618 -12.997 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.433 -11.640 -6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.678 -11.898 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.074 -10.333 -5.213 1.00 0.00 H new ATOM 121 N LEU A 12 -12.612 -9.984 -6.305 1.00 0.00 N ATOM 122 CA LEU A 12 -11.801 -9.277 -7.291 1.00 0.00 C ATOM 123 C LEU A 12 -10.364 -9.790 -7.283 1.00 0.00 C ATOM 124 O LEU A 12 -9.993 -10.612 -6.445 1.00 0.00 O ATOM 125 CB LEU A 12 -11.819 -7.773 -7.011 1.00 0.00 C ATOM 126 CG LEU A 12 -13.078 -7.024 -7.451 1.00 0.00 C ATOM 127 CD1 LEU A 12 -13.174 -6.986 -8.968 1.00 0.00 C ATOM 128 CD2 LEU A 12 -14.319 -7.669 -6.852 1.00 0.00 C ATOM 0 H LEU A 12 -13.053 -9.381 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.228 -9.462 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.686 -7.621 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.960 -7.321 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.014 -5.999 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.076 -6.449 -9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.300 -6.478 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.215 -8.004 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.205 -7.123 -7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.388 -8.704 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.254 -7.643 -5.764 1.00 0.00 H new ATOM 140 N ARG A 13 -9.560 -9.297 -8.220 1.00 0.00 N ATOM 141 CA ARG A 13 -8.164 -9.705 -8.320 1.00 0.00 C ATOM 142 C ARG A 13 -7.234 -8.516 -8.098 1.00 0.00 C ATOM 143 O ARG A 13 -6.217 -8.377 -8.777 1.00 0.00 O ATOM 144 CB ARG A 13 -7.891 -10.331 -9.688 1.00 0.00 C ATOM 145 CG ARG A 13 -8.174 -9.397 -10.854 1.00 0.00 C ATOM 146 CD ARG A 13 -7.678 -9.979 -12.168 1.00 0.00 C ATOM 147 NE ARG A 13 -8.543 -11.051 -12.653 1.00 0.00 N ATOM 148 CZ ARG A 13 -8.605 -11.425 -13.926 1.00 0.00 C ATOM 149 NH1 ARG A 13 -7.856 -10.818 -14.837 1.00 0.00 N ATOM 150 NH2 ARG A 13 -9.417 -12.409 -14.291 1.00 0.00 N ATOM 0 H ARG A 13 -9.852 -8.615 -8.920 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.971 -10.446 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.849 -10.647 -9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.501 -11.228 -9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.246 -9.210 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.693 -8.435 -10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.625 -9.189 -12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.666 -10.362 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.131 -11.539 -11.978 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.230 -10.062 -14.561 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.906 -11.108 -15.814 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.994 -12.879 -13.594 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.464 -12.695 -15.269 1.00 0.00 H new ATOM 164 N GLU A 14 -7.590 -7.662 -7.143 1.00 0.00 N ATOM 165 CA GLU A 14 -6.787 -6.485 -6.833 1.00 0.00 C ATOM 166 C GLU A 14 -6.415 -6.454 -5.353 1.00 0.00 C ATOM 167 O GLU A 14 -6.923 -7.245 -4.557 1.00 0.00 O ATOM 168 CB GLU A 14 -7.545 -5.210 -7.206 1.00 0.00 C ATOM 169 CG GLU A 14 -7.289 -4.745 -8.630 1.00 0.00 C ATOM 170 CD GLU A 14 -7.587 -5.819 -9.657 1.00 0.00 C ATOM 171 OE1 GLU A 14 -8.781 -6.096 -9.896 1.00 0.00 O ATOM 172 OE2 GLU A 14 -6.627 -6.383 -10.223 1.00 0.00 O ATOM 0 H GLU A 14 -8.429 -7.763 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.870 -6.538 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.614 -5.381 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.263 -4.414 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.903 -3.869 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.248 -4.435 -8.725 1.00 0.00 H new ATOM 179 N VAL A 15 -5.525 -5.536 -4.991 1.00 0.00 N ATOM 180 CA VAL A 15 -5.085 -5.400 -3.608 1.00 0.00 C ATOM 181 C VAL A 15 -5.777 -4.227 -2.924 1.00 0.00 C ATOM 182 O VAL A 15 -5.204 -3.580 -2.046 1.00 0.00 O ATOM 183 CB VAL A 15 -3.560 -5.204 -3.521 1.00 0.00 C ATOM 184 CG1 VAL A 15 -2.833 -6.402 -4.114 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.148 -3.919 -4.221 1.00 0.00 C ATOM 0 H VAL A 15 -5.094 -4.875 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.355 -6.325 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.280 -5.124 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.757 -6.246 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.106 -7.302 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.115 -6.517 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.067 -3.796 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.439 -3.967 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.641 -3.071 -3.746 1.00 0.00 H new ATOM 195 N LEU A 16 -7.013 -3.957 -3.330 1.00 0.00 N ATOM 196 CA LEU A 16 -7.785 -2.860 -2.756 1.00 0.00 C ATOM 197 C LEU A 16 -7.579 -2.781 -1.247 1.00 0.00 C ATOM 198 O LEU A 16 -7.740 -1.721 -0.644 1.00 0.00 O ATOM 199 CB LEU A 16 -9.271 -3.038 -3.071 1.00 0.00 C ATOM 200 CG LEU A 16 -9.625 -3.246 -4.544 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.092 -3.620 -4.693 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.307 -1.996 -5.351 1.00 0.00 C ATOM 0 H LEU A 16 -7.502 -4.483 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.434 -1.929 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.642 -3.892 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.806 -2.160 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.021 -4.067 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.325 -3.764 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.289 -4.543 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.714 -2.821 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.565 -2.163 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.884 -1.156 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.243 -1.772 -5.271 1.00 0.00 H new ATOM 214 N GLU A 17 -7.221 -3.911 -0.643 1.00 0.00 N ATOM 215 CA GLU A 17 -6.992 -3.968 0.795 1.00 0.00 C ATOM 216 C GLU A 17 -5.504 -4.116 1.104 1.00 0.00 C ATOM 217 O GLU A 17 -4.715 -4.502 0.241 1.00 0.00 O ATOM 218 CB GLU A 17 -7.770 -5.132 1.412 1.00 0.00 C ATOM 219 CG GLU A 17 -9.159 -4.748 1.893 1.00 0.00 C ATOM 220 CD GLU A 17 -10.147 -5.894 1.797 1.00 0.00 C ATOM 221 OE1 GLU A 17 -10.653 -6.151 0.684 1.00 0.00 O ATOM 222 OE2 GLU A 17 -10.414 -6.535 2.835 1.00 0.00 O ATOM 0 H GLU A 17 -7.084 -4.798 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.345 -3.033 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.858 -5.931 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.202 -5.533 2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.100 -4.409 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.524 -3.908 1.303 1.00 0.00 H new ATOM 229 N CYS A 18 -5.129 -3.806 2.340 1.00 0.00 N ATOM 230 CA CYS A 18 -3.738 -3.903 2.765 1.00 0.00 C ATOM 231 C CYS A 18 -3.358 -5.351 3.058 1.00 0.00 C ATOM 232 O CYS A 18 -4.099 -6.095 3.702 1.00 0.00 O ATOM 233 CB CYS A 18 -3.500 -3.040 4.005 1.00 0.00 C ATOM 234 SG CYS A 18 -1.781 -3.064 4.610 1.00 0.00 S ATOM 0 H CYS A 18 -5.770 -3.485 3.066 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.110 -3.539 1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.779 -2.011 3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.160 -3.380 4.803 1.00 0.00 H new ATOM 239 N PRO A 19 -2.176 -5.763 2.576 1.00 0.00 N ATOM 240 CA PRO A 19 -1.670 -7.124 2.775 1.00 0.00 C ATOM 241 C PRO A 19 -1.283 -7.393 4.225 1.00 0.00 C ATOM 242 O PRO A 19 -0.850 -8.493 4.568 1.00 0.00 O ATOM 243 CB PRO A 19 -0.435 -7.179 1.873 1.00 0.00 C ATOM 244 CG PRO A 19 0.010 -5.762 1.753 1.00 0.00 C ATOM 245 CD PRO A 19 -1.242 -4.930 1.800 1.00 0.00 C ATOM 0 HA PRO A 19 -2.422 -7.877 2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.345 -7.804 2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.676 -7.602 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.687 -5.495 2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.551 -5.600 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.067 -3.968 2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.624 -4.722 0.801 1.00 0.00 H new ATOM 253 N ILE A 20 -1.441 -6.381 5.072 1.00 0.00 N ATOM 254 CA ILE A 20 -1.109 -6.510 6.485 1.00 0.00 C ATOM 255 C ILE A 20 -2.365 -6.488 7.349 1.00 0.00 C ATOM 256 O ILE A 20 -2.798 -7.522 7.861 1.00 0.00 O ATOM 257 CB ILE A 20 -0.164 -5.385 6.946 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.110 -5.379 6.098 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.176 -5.549 8.420 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.156 -4.401 6.585 1.00 0.00 C ATOM 0 H ILE A 20 -1.797 -5.463 4.804 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.605 -7.469 6.604 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.671 -4.429 6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.537 -6.382 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.850 -5.137 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.845 -4.746 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.739 -5.508 9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.666 -6.510 8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.031 -4.451 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.747 -3.391 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.445 -4.655 7.605 1.00 0.00 H new ATOM 272 N CYS A 21 -2.948 -5.305 7.507 1.00 0.00 N ATOM 273 CA CYS A 21 -4.157 -5.147 8.308 1.00 0.00 C ATOM 274 C CYS A 21 -5.378 -5.674 7.559 1.00 0.00 C ATOM 275 O CYS A 21 -6.329 -6.161 8.168 1.00 0.00 O ATOM 276 CB CYS A 21 -4.364 -3.676 8.673 1.00 0.00 C ATOM 277 SG CYS A 21 -4.186 -2.529 7.268 1.00 0.00 S ATOM 0 H CYS A 21 -2.603 -4.440 7.091 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.035 -5.727 9.223 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.359 -3.556 9.103 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.647 -3.400 9.446 1.00 0.00 H new ATOM 282 N MET A 22 -5.342 -5.572 6.234 1.00 0.00 N ATOM 283 CA MET A 22 -6.445 -6.039 5.402 1.00 0.00 C ATOM 284 C MET A 22 -7.626 -5.077 5.475 1.00 0.00 C ATOM 285 O MET A 22 -8.771 -5.498 5.638 1.00 0.00 O ATOM 286 CB MET A 22 -6.884 -7.438 5.838 1.00 0.00 C ATOM 287 CG MET A 22 -5.724 -8.389 6.086 1.00 0.00 C ATOM 288 SD MET A 22 -4.837 -8.812 4.574 1.00 0.00 S ATOM 289 CE MET A 22 -6.199 -9.226 3.487 1.00 0.00 C ATOM 0 H MET A 22 -4.562 -5.171 5.714 1.00 0.00 H new ATOM 0 HA MET A 22 -6.096 -6.081 4.370 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.477 -7.356 6.749 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.533 -7.862 5.072 1.00 0.00 H new ATOM 0 HG2 MET A 22 -5.031 -7.934 6.794 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.100 -9.301 6.549 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.850 -9.905 2.709 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.990 -9.708 4.062 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.587 -8.317 3.028 1.00 0.00 H new ATOM 299 N GLU A 23 -7.340 -3.784 5.355 1.00 0.00 N ATOM 300 CA GLU A 23 -8.380 -2.763 5.408 1.00 0.00 C ATOM 301 C GLU A 23 -8.437 -1.975 4.103 1.00 0.00 C ATOM 302 O GLU A 23 -7.412 -1.525 3.592 1.00 0.00 O ATOM 303 CB GLU A 23 -8.132 -1.812 6.581 1.00 0.00 C ATOM 304 CG GLU A 23 -8.764 -2.274 7.883 1.00 0.00 C ATOM 305 CD GLU A 23 -10.207 -2.704 7.711 1.00 0.00 C ATOM 306 OE1 GLU A 23 -10.992 -1.926 7.128 1.00 0.00 O ATOM 307 OE2 GLU A 23 -10.553 -3.817 8.160 1.00 0.00 O ATOM 0 H GLU A 23 -6.397 -3.419 5.220 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.338 -3.264 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.058 -1.702 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.522 -0.826 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.187 -3.106 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.714 -1.466 8.613 1.00 0.00 H new ATOM 314 N SER A 24 -9.643 -1.813 3.569 1.00 0.00 N ATOM 315 CA SER A 24 -9.835 -1.084 2.321 1.00 0.00 C ATOM 316 C SER A 24 -9.132 0.269 2.369 1.00 0.00 C ATOM 317 O SER A 24 -9.303 1.038 3.315 1.00 0.00 O ATOM 318 CB SER A 24 -11.327 -0.886 2.045 1.00 0.00 C ATOM 319 OG SER A 24 -11.562 -0.633 0.670 1.00 0.00 O ATOM 0 H SER A 24 -10.502 -2.177 3.981 1.00 0.00 H new ATOM 0 HA SER A 24 -9.399 -1.673 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.878 -1.774 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.703 -0.054 2.641 1.00 0.00 H new ATOM 0 HG SER A 24 -12.523 -0.512 0.519 1.00 0.00 H new ATOM 325 N PHE A 25 -8.339 0.554 1.341 1.00 0.00 N ATOM 326 CA PHE A 25 -7.608 1.813 1.265 1.00 0.00 C ATOM 327 C PHE A 25 -8.567 2.990 1.116 1.00 0.00 C ATOM 328 O PHE A 25 -9.217 3.150 0.082 1.00 0.00 O ATOM 329 CB PHE A 25 -6.626 1.788 0.092 1.00 0.00 C ATOM 330 CG PHE A 25 -5.567 0.730 0.219 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.882 0.556 1.410 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.257 -0.091 -0.854 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.907 -0.416 1.529 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.283 -1.065 -0.741 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.608 -1.228 0.453 1.00 0.00 C ATOM 0 H PHE A 25 -8.186 -0.070 0.549 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.050 1.937 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.181 1.626 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.146 2.763 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.112 1.187 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.783 0.032 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.379 -0.540 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.050 -1.698 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.848 -1.989 0.545 1.00 0.00 H new ATOM 345 N THR A 26 -8.650 3.814 2.156 1.00 0.00 N ATOM 346 CA THR A 26 -9.530 4.976 2.143 1.00 0.00 C ATOM 347 C THR A 26 -8.758 6.246 1.806 1.00 0.00 C ATOM 348 O THR A 26 -7.583 6.377 2.147 1.00 0.00 O ATOM 349 CB THR A 26 -10.236 5.162 3.499 1.00 0.00 C ATOM 350 OG1 THR A 26 -9.328 5.729 4.450 1.00 0.00 O ATOM 351 CG2 THR A 26 -10.761 3.833 4.022 1.00 0.00 C ATOM 0 H THR A 26 -8.118 3.698 3.018 1.00 0.00 H new ATOM 0 HA THR A 26 -10.281 4.795 1.374 1.00 0.00 H new ATOM 0 HB THR A 26 -11.080 5.837 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.420 5.408 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.256 3.989 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.474 3.417 3.309 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.930 3.139 4.151 1.00 0.00 H new ATOM 359 N GLU A 27 -9.426 7.180 1.136 1.00 0.00 N ATOM 360 CA GLU A 27 -8.801 8.441 0.754 1.00 0.00 C ATOM 361 C GLU A 27 -8.411 9.250 1.988 1.00 0.00 C ATOM 362 O GLU A 27 -7.451 10.019 1.959 1.00 0.00 O ATOM 363 CB GLU A 27 -9.747 9.258 -0.128 1.00 0.00 C ATOM 364 CG GLU A 27 -11.117 9.480 0.490 1.00 0.00 C ATOM 365 CD GLU A 27 -11.779 10.753 0.000 1.00 0.00 C ATOM 366 OE1 GLU A 27 -12.441 10.706 -1.059 1.00 0.00 O ATOM 367 OE2 GLU A 27 -11.635 11.794 0.673 1.00 0.00 O ATOM 0 H GLU A 27 -10.400 7.087 0.847 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.897 8.213 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.291 10.226 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.868 8.750 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.758 8.629 0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.020 9.520 1.575 1.00 0.00 H new ATOM 374 N GLU A 28 -9.165 9.071 3.068 1.00 0.00 N ATOM 375 CA GLU A 28 -8.899 9.786 4.311 1.00 0.00 C ATOM 376 C GLU A 28 -7.786 9.106 5.103 1.00 0.00 C ATOM 377 O GLU A 28 -6.684 9.639 5.226 1.00 0.00 O ATOM 378 CB GLU A 28 -10.169 9.866 5.161 1.00 0.00 C ATOM 379 CG GLU A 28 -10.186 11.045 6.120 1.00 0.00 C ATOM 380 CD GLU A 28 -9.368 10.791 7.371 1.00 0.00 C ATOM 381 OE1 GLU A 28 -9.520 9.706 7.970 1.00 0.00 O ATOM 382 OE2 GLU A 28 -8.575 11.679 7.750 1.00 0.00 O ATOM 0 H GLU A 28 -9.964 8.438 3.108 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.576 10.796 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.034 9.933 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.273 8.943 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.800 11.928 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.216 11.264 6.402 1.00 0.00 H new ATOM 389 N GLN A 29 -8.084 7.926 5.638 1.00 0.00 N ATOM 390 CA GLN A 29 -7.110 7.174 6.419 1.00 0.00 C ATOM 391 C GLN A 29 -6.566 5.994 5.620 1.00 0.00 C ATOM 392 O GLN A 29 -6.889 5.826 4.443 1.00 0.00 O ATOM 393 CB GLN A 29 -7.742 6.676 7.719 1.00 0.00 C ATOM 394 CG GLN A 29 -6.770 6.621 8.887 1.00 0.00 C ATOM 395 CD GLN A 29 -7.452 6.829 10.224 1.00 0.00 C ATOM 396 OE1 GLN A 29 -7.900 5.875 10.861 1.00 0.00 O ATOM 397 NE2 GLN A 29 -7.534 8.082 10.658 1.00 0.00 N ATOM 0 H GLN A 29 -8.992 7.471 5.545 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.281 7.841 6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.575 7.328 7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.155 5.681 7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.264 5.656 8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.003 7.383 8.752 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.149 8.842 10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.982 8.284 11.552 1.00 0.00 H new ATOM 406 N LEU A 30 -5.739 5.179 6.266 1.00 0.00 N ATOM 407 CA LEU A 30 -5.149 4.015 5.615 1.00 0.00 C ATOM 408 C LEU A 30 -4.855 4.302 4.146 1.00 0.00 C ATOM 409 O LEU A 30 -5.053 3.445 3.284 1.00 0.00 O ATOM 410 CB LEU A 30 -6.086 2.811 5.734 1.00 0.00 C ATOM 411 CG LEU A 30 -6.633 2.522 7.132 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.731 1.471 7.068 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.515 2.071 8.060 1.00 0.00 C ATOM 0 H LEU A 30 -5.462 5.303 7.240 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.208 3.787 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.929 2.964 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.554 1.926 5.384 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.060 3.442 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.109 1.278 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.544 1.832 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.328 0.549 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.923 1.870 9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.058 1.164 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.762 2.856 8.130 1.00 0.00 H new ATOM 425 N ARG A 31 -4.379 5.511 3.869 1.00 0.00 N ATOM 426 CA ARG A 31 -4.056 5.911 2.505 1.00 0.00 C ATOM 427 C ARG A 31 -3.163 4.874 1.831 1.00 0.00 C ATOM 428 O ARG A 31 -2.190 4.388 2.408 1.00 0.00 O ATOM 429 CB ARG A 31 -3.364 7.275 2.500 1.00 0.00 C ATOM 430 CG ARG A 31 -3.734 8.142 1.308 1.00 0.00 C ATOM 431 CD ARG A 31 -2.808 7.890 0.128 1.00 0.00 C ATOM 432 NE ARG A 31 -3.478 8.114 -1.151 1.00 0.00 N ATOM 433 CZ ARG A 31 -2.858 8.061 -2.324 1.00 0.00 C ATOM 434 NH1 ARG A 31 -1.561 7.793 -2.381 1.00 0.00 N ATOM 435 NH2 ARG A 31 -3.535 8.277 -3.445 1.00 0.00 N ATOM 0 H ARG A 31 -4.208 6.231 4.571 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.988 5.982 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.619 7.806 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.284 7.125 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.764 7.938 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.686 9.193 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.940 8.545 0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.439 6.865 0.169 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.476 8.322 -1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.036 7.627 -1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.088 7.753 -3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.533 8.484 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.057 8.236 -4.345 1.00 0.00 H new ATOM 449 N PRO A 32 -3.500 4.525 0.580 1.00 0.00 N ATOM 450 CA PRO A 32 -2.742 3.542 -0.199 1.00 0.00 C ATOM 451 C PRO A 32 -1.368 4.062 -0.610 1.00 0.00 C ATOM 452 O PRO A 32 -1.239 5.187 -1.095 1.00 0.00 O ATOM 453 CB PRO A 32 -3.618 3.315 -1.433 1.00 0.00 C ATOM 454 CG PRO A 32 -4.412 4.568 -1.570 1.00 0.00 C ATOM 455 CD PRO A 32 -4.647 5.064 -0.169 1.00 0.00 C ATOM 0 HA PRO A 32 -2.544 2.635 0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.012 3.131 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.266 2.448 -1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.873 5.309 -2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.356 4.378 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.678 6.153 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.594 4.703 0.232 1.00 0.00 H new ATOM 463 N LYS A 33 -0.345 3.238 -0.413 1.00 0.00 N ATOM 464 CA LYS A 33 1.019 3.614 -0.764 1.00 0.00 C ATOM 465 C LYS A 33 1.728 2.473 -1.488 1.00 0.00 C ATOM 466 O LYS A 33 1.638 1.314 -1.080 1.00 0.00 O ATOM 467 CB LYS A 33 1.803 4.000 0.492 1.00 0.00 C ATOM 468 CG LYS A 33 1.105 5.043 1.348 1.00 0.00 C ATOM 469 CD LYS A 33 1.040 6.388 0.646 1.00 0.00 C ATOM 470 CE LYS A 33 2.247 7.251 0.982 1.00 0.00 C ATOM 471 NZ LYS A 33 2.469 8.315 -0.037 1.00 0.00 N ATOM 0 H LYS A 33 -0.435 2.305 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 33 0.972 4.473 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.975 3.106 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.781 4.380 0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.096 4.705 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.634 5.151 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.990 6.235 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.127 6.908 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.105 7.709 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.135 6.623 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.490 8.439 -0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.014 8.040 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.059 9.209 0.300 1.00 0.00 H new ATOM 485 N LEU A 34 2.434 2.809 -2.562 1.00 0.00 N ATOM 486 CA LEU A 34 3.161 1.813 -3.342 1.00 0.00 C ATOM 487 C LEU A 34 4.661 1.904 -3.080 1.00 0.00 C ATOM 488 O LEU A 34 5.231 2.996 -3.049 1.00 0.00 O ATOM 489 CB LEU A 34 2.879 2.001 -4.834 1.00 0.00 C ATOM 490 CG LEU A 34 2.960 0.740 -5.695 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.353 -0.447 -4.963 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.260 0.960 -7.029 1.00 0.00 C ATOM 0 H LEU A 34 2.519 3.763 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 34 2.818 0.825 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.883 2.429 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.585 2.732 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 34 4.010 0.523 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.420 -1.335 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.897 -0.618 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.307 -0.240 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.327 0.053 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.212 1.203 -6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.739 1.783 -7.560 1.00 0.00 H new ATOM 504 N LEU A 35 5.295 0.752 -2.894 1.00 0.00 N ATOM 505 CA LEU A 35 6.730 0.701 -2.637 1.00 0.00 C ATOM 506 C LEU A 35 7.507 0.482 -3.931 1.00 0.00 C ATOM 507 O LEU A 35 6.945 0.058 -4.941 1.00 0.00 O ATOM 508 CB LEU A 35 7.050 -0.415 -1.641 1.00 0.00 C ATOM 509 CG LEU A 35 6.380 -0.305 -0.271 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.851 -1.424 0.645 1.00 0.00 C ATOM 511 CD2 LEU A 35 6.662 1.053 0.354 1.00 0.00 C ATOM 0 H LEU A 35 4.838 -0.160 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 35 7.033 1.658 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.763 -1.367 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.130 -0.445 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 35 5.303 -0.403 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.364 -1.329 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.596 -2.387 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.931 -1.358 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.177 1.113 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.738 1.181 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.274 1.839 -0.293 1.00 0.00 H new ATOM 523 N HIS A 36 8.804 0.773 -3.893 1.00 0.00 N ATOM 524 CA HIS A 36 9.659 0.605 -5.062 1.00 0.00 C ATOM 525 C HIS A 36 9.684 -0.853 -5.513 1.00 0.00 C ATOM 526 O HIS A 36 10.224 -1.177 -6.571 1.00 0.00 O ATOM 527 CB HIS A 36 11.080 1.079 -4.753 1.00 0.00 C ATOM 528 CG HIS A 36 11.170 2.544 -4.452 1.00 0.00 C ATOM 529 ND1 HIS A 36 10.204 3.455 -4.193 1.00 0.00 N flip ATOM 530 CD2 HIS A 36 12.366 3.228 -4.395 1.00 0.00 C flip ATOM 531 CE1 HIS A 36 10.827 4.661 -3.985 1.00 0.00 C flip ATOM 532 NE2 HIS A 36 12.131 4.497 -4.112 1.00 0.00 N flip ATOM 0 H HIS A 36 9.285 1.126 -3.066 1.00 0.00 H new ATOM 0 HA HIS A 36 9.249 1.210 -5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.465 0.517 -3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.723 0.851 -5.603 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.342 2.794 -4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.331 5.592 -3.755 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.837 5.226 -4.009 1.00 0.00 H new ATOM 540 N CYS A 37 9.097 -1.727 -4.702 1.00 0.00 N ATOM 541 CA CYS A 37 9.052 -3.150 -5.016 1.00 0.00 C ATOM 542 C CYS A 37 7.806 -3.489 -5.829 1.00 0.00 C ATOM 543 O CYS A 37 7.880 -4.195 -6.834 1.00 0.00 O ATOM 544 CB CYS A 37 9.077 -3.979 -3.730 1.00 0.00 C ATOM 545 SG CYS A 37 7.642 -3.704 -2.642 1.00 0.00 S ATOM 0 H CYS A 37 8.646 -1.475 -3.823 1.00 0.00 H new ATOM 0 HA CYS A 37 9.931 -3.392 -5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.124 -5.036 -3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.988 -3.747 -3.178 1.00 0.00 H new ATOM 550 N GLY A 38 6.661 -2.979 -5.386 1.00 0.00 N ATOM 551 CA GLY A 38 5.415 -3.238 -6.083 1.00 0.00 C ATOM 552 C GLY A 38 4.253 -3.454 -5.134 1.00 0.00 C ATOM 553 O GLY A 38 3.108 -3.139 -5.460 1.00 0.00 O ATOM 0 H GLY A 38 6.574 -2.391 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.190 -2.400 -6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.532 -4.118 -6.715 1.00 0.00 H new ATOM 557 N HIS A 39 4.546 -3.993 -3.955 1.00 0.00 N ATOM 558 CA HIS A 39 3.516 -4.252 -2.955 1.00 0.00 C ATOM 559 C HIS A 39 2.862 -2.950 -2.500 1.00 0.00 C ATOM 560 O HIS A 39 3.509 -1.904 -2.444 1.00 0.00 O ATOM 561 CB HIS A 39 4.115 -4.983 -1.753 1.00 0.00 C ATOM 562 CG HIS A 39 4.503 -6.399 -2.047 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.695 -6.955 -1.630 1.00 0.00 N ATOM 564 CD2 HIS A 39 3.850 -7.376 -2.719 1.00 0.00 C ATOM 565 CE1 HIS A 39 5.758 -8.211 -2.035 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.650 -8.491 -2.697 1.00 0.00 N ATOM 0 H HIS A 39 5.488 -4.259 -3.669 1.00 0.00 H new ATOM 0 HA HIS A 39 2.752 -4.882 -3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.994 -4.438 -1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.393 -4.975 -0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.880 -7.293 -3.186 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.576 -8.893 -1.855 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.425 -9.390 -3.123 1.00 0.00 H new ATOM 574 N THR A 40 1.575 -3.022 -2.176 1.00 0.00 N ATOM 575 CA THR A 40 0.833 -1.851 -1.727 1.00 0.00 C ATOM 576 C THR A 40 0.408 -1.993 -0.271 1.00 0.00 C ATOM 577 O THR A 40 -0.354 -2.896 0.077 1.00 0.00 O ATOM 578 CB THR A 40 -0.417 -1.612 -2.595 1.00 0.00 C ATOM 579 OG1 THR A 40 -0.060 -1.616 -3.981 1.00 0.00 O ATOM 580 CG2 THR A 40 -1.077 -0.287 -2.240 1.00 0.00 C ATOM 0 H THR A 40 1.025 -3.880 -2.216 1.00 0.00 H new ATOM 0 HA THR A 40 1.503 -0.996 -1.824 1.00 0.00 H new ATOM 0 HB THR A 40 -1.126 -2.417 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.817 -1.941 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.957 -0.140 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.375 -0.298 -1.192 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.372 0.527 -2.408 1.00 0.00 H new ATOM 588 N ILE A 41 0.904 -1.098 0.576 1.00 0.00 N ATOM 589 CA ILE A 41 0.572 -1.124 1.995 1.00 0.00 C ATOM 590 C ILE A 41 -0.075 0.186 2.433 1.00 0.00 C ATOM 591 O ILE A 41 0.192 1.244 1.864 1.00 0.00 O ATOM 592 CB ILE A 41 1.821 -1.380 2.860 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.494 -2.690 2.447 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.446 -1.412 4.335 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.685 -3.054 3.306 1.00 0.00 C ATOM 0 H ILE A 41 1.537 -0.346 0.304 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.135 -1.941 2.139 1.00 0.00 H new ATOM 0 HB ILE A 41 2.528 -0.565 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.762 -3.496 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.815 -2.612 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.339 -1.594 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.007 -0.456 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.724 -2.209 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.112 -3.994 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.436 -2.267 3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.366 -3.164 4.342 1.00 0.00 H new ATOM 607 N CYS A 42 -0.928 0.107 3.449 1.00 0.00 N ATOM 608 CA CYS A 42 -1.614 1.285 3.966 1.00 0.00 C ATOM 609 C CYS A 42 -0.651 2.178 4.743 1.00 0.00 C ATOM 610 O CYS A 42 0.189 1.692 5.500 1.00 0.00 O ATOM 611 CB CYS A 42 -2.779 0.869 4.865 1.00 0.00 C ATOM 612 SG CYS A 42 -2.269 0.146 6.457 1.00 0.00 S ATOM 0 H CYS A 42 -1.161 -0.761 3.931 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.002 1.850 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.404 1.741 5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.396 0.146 4.331 1.00 0.00 H new ATOM 617 N ARG A 43 -0.780 3.487 4.549 1.00 0.00 N ATOM 618 CA ARG A 43 0.079 4.448 5.231 1.00 0.00 C ATOM 619 C ARG A 43 0.227 4.094 6.708 1.00 0.00 C ATOM 620 O ARG A 43 1.266 4.350 7.316 1.00 0.00 O ATOM 621 CB ARG A 43 -0.488 5.861 5.089 1.00 0.00 C ATOM 622 CG ARG A 43 -1.640 6.153 6.037 1.00 0.00 C ATOM 623 CD ARG A 43 -1.654 7.613 6.463 1.00 0.00 C ATOM 624 NE ARG A 43 -2.960 8.021 6.974 1.00 0.00 N ATOM 625 CZ ARG A 43 -3.395 9.276 6.961 1.00 0.00 C ATOM 626 NH1 ARG A 43 -2.631 10.241 6.466 1.00 0.00 N ATOM 627 NH2 ARG A 43 -4.595 9.569 7.445 1.00 0.00 N ATOM 0 H ARG A 43 -1.470 3.906 3.926 1.00 0.00 H new ATOM 0 HA ARG A 43 1.064 4.410 4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.309 6.583 5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.827 6.006 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.584 5.905 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.558 5.516 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.898 7.774 7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.384 8.241 5.614 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.572 7.303 7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.707 10.020 6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.967 11.204 6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.185 8.830 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.928 10.533 7.434 1.00 0.00 H new ATOM 641 N GLN A 44 -0.819 3.504 7.277 1.00 0.00 N ATOM 642 CA GLN A 44 -0.806 3.116 8.682 1.00 0.00 C ATOM 643 C GLN A 44 0.330 2.139 8.967 1.00 0.00 C ATOM 644 O GLN A 44 1.139 2.356 9.870 1.00 0.00 O ATOM 645 CB GLN A 44 -2.145 2.487 9.073 1.00 0.00 C ATOM 646 CG GLN A 44 -2.061 1.589 10.296 1.00 0.00 C ATOM 647 CD GLN A 44 -3.418 1.320 10.917 1.00 0.00 C ATOM 648 OE1 GLN A 44 -4.302 0.685 10.156 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.669 1.680 12.067 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.686 3.284 6.787 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.647 4.014 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.868 3.280 9.264 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.524 1.907 8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.600 0.642 10.016 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.411 2.052 11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.959 2.165 12.616 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.587 1.493 12.471 1.00 0.00 H new ATOM 658 N CYS A 45 0.386 1.062 8.190 1.00 0.00 N ATOM 659 CA CYS A 45 1.422 0.051 8.358 1.00 0.00 C ATOM 660 C CYS A 45 2.781 0.585 7.916 1.00 0.00 C ATOM 661 O CYS A 45 3.807 0.291 8.531 1.00 0.00 O ATOM 662 CB CYS A 45 1.072 -1.206 7.558 1.00 0.00 C ATOM 663 SG CYS A 45 -0.309 -2.169 8.254 1.00 0.00 S ATOM 0 H CYS A 45 -0.275 0.868 7.438 1.00 0.00 H new ATOM 0 HA CYS A 45 1.478 -0.203 9.417 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.821 -0.916 6.538 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.954 -1.844 7.500 1.00 0.00 H new ATOM 668 N LEU A 46 2.781 1.373 6.847 1.00 0.00 N ATOM 669 CA LEU A 46 4.014 1.951 6.321 1.00 0.00 C ATOM 670 C LEU A 46 4.654 2.888 7.341 1.00 0.00 C ATOM 671 O LEU A 46 5.867 2.864 7.543 1.00 0.00 O ATOM 672 CB LEU A 46 3.733 2.707 5.022 1.00 0.00 C ATOM 673 CG LEU A 46 4.958 3.099 4.195 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.318 1.990 3.218 1.00 0.00 C ATOM 675 CD2 LEU A 46 4.706 4.404 3.454 1.00 0.00 C ATOM 0 H LEU A 46 1.941 1.627 6.327 1.00 0.00 H new ATOM 0 HA LEU A 46 4.710 1.137 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.082 2.092 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.179 3.613 5.265 1.00 0.00 H new ATOM 0 HG LEU A 46 5.799 3.246 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.192 2.286 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.541 1.077 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.479 1.811 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.588 4.667 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.852 4.285 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.497 5.196 4.173 1.00 0.00 H new ATOM 687 N GLU A 47 3.828 3.710 7.981 1.00 0.00 N ATOM 688 CA GLU A 47 4.314 4.654 8.981 1.00 0.00 C ATOM 689 C GLU A 47 5.076 3.930 10.087 1.00 0.00 C ATOM 690 O GLU A 47 6.187 4.319 10.449 1.00 0.00 O ATOM 691 CB GLU A 47 3.148 5.441 9.581 1.00 0.00 C ATOM 692 CG GLU A 47 2.722 6.633 8.740 1.00 0.00 C ATOM 693 CD GLU A 47 3.435 7.911 9.136 1.00 0.00 C ATOM 694 OE1 GLU A 47 4.662 7.858 9.366 1.00 0.00 O ATOM 695 OE2 GLU A 47 2.768 8.964 9.215 1.00 0.00 O ATOM 0 H GLU A 47 2.820 3.741 7.825 1.00 0.00 H new ATOM 0 HA GLU A 47 4.995 5.348 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.296 4.773 9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.429 5.790 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.921 6.421 7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.646 6.776 8.838 1.00 0.00 H new ATOM 702 N LYS A 48 4.471 2.874 10.621 1.00 0.00 N ATOM 703 CA LYS A 48 5.090 2.094 11.686 1.00 0.00 C ATOM 704 C LYS A 48 6.466 1.591 11.262 1.00 0.00 C ATOM 705 O LYS A 48 7.355 1.409 12.095 1.00 0.00 O ATOM 706 CB LYS A 48 4.197 0.910 12.064 1.00 0.00 C ATOM 707 CG LYS A 48 3.258 1.202 13.222 1.00 0.00 C ATOM 708 CD LYS A 48 1.969 1.849 12.744 1.00 0.00 C ATOM 709 CE LYS A 48 0.815 1.557 13.691 1.00 0.00 C ATOM 710 NZ LYS A 48 1.050 2.129 15.046 1.00 0.00 N ATOM 0 H LYS A 48 3.552 2.539 10.333 1.00 0.00 H new ATOM 0 HA LYS A 48 5.211 2.742 12.554 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.608 0.618 11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.827 0.059 12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.028 0.275 13.748 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.753 1.860 13.937 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.110 2.927 12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.725 1.483 11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.106 1.968 13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.675 0.479 13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.226 1.937 15.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.896 1.693 15.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.192 3.156 14.969 1.00 0.00 H new ATOM 724 N LEU A 49 6.636 1.371 9.963 1.00 0.00 N ATOM 725 CA LEU A 49 7.906 0.891 9.429 1.00 0.00 C ATOM 726 C LEU A 49 8.900 2.037 9.275 1.00 0.00 C ATOM 727 O LEU A 49 10.036 1.956 9.744 1.00 0.00 O ATOM 728 CB LEU A 49 7.687 0.206 8.079 1.00 0.00 C ATOM 729 CG LEU A 49 6.795 -1.036 8.093 1.00 0.00 C ATOM 730 CD1 LEU A 49 6.456 -1.467 6.674 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.471 -2.170 8.850 1.00 0.00 C ATOM 0 H LEU A 49 5.911 1.517 9.260 1.00 0.00 H new ATOM 0 HA LEU A 49 8.319 0.169 10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.253 0.932 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.660 -0.074 7.674 1.00 0.00 H new ATOM 0 HG LEU A 49 5.866 -0.786 8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.821 -2.352 6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.930 -0.660 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.375 -1.698 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.822 -3.046 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.415 -2.418 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.661 -1.859 9.877 1.00 0.00 H new ATOM 743 N LEU A 50 8.466 3.106 8.616 1.00 0.00 N ATOM 744 CA LEU A 50 9.317 4.271 8.401 1.00 0.00 C ATOM 745 C LEU A 50 9.773 4.864 9.730 1.00 0.00 C ATOM 746 O LEU A 50 10.923 5.276 9.876 1.00 0.00 O ATOM 747 CB LEU A 50 8.571 5.329 7.586 1.00 0.00 C ATOM 748 CG LEU A 50 9.435 6.220 6.692 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.623 6.745 5.519 1.00 0.00 C ATOM 750 CD2 LEU A 50 10.022 7.371 7.495 1.00 0.00 C ATOM 0 H LEU A 50 7.529 3.190 8.221 1.00 0.00 H new ATOM 0 HA LEU A 50 10.198 3.949 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.835 4.824 6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.018 5.967 8.276 1.00 0.00 H new ATOM 0 HG LEU A 50 10.257 5.621 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.254 7.377 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.251 5.907 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.781 7.328 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.634 7.995 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.214 7.970 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.639 6.975 8.301 1.00 0.00 H new ATOM 762 N ALA A 51 8.863 4.903 10.698 1.00 0.00 N ATOM 763 CA ALA A 51 9.173 5.441 12.017 1.00 0.00 C ATOM 764 C ALA A 51 10.547 4.981 12.489 1.00 0.00 C ATOM 765 O ALA A 51 11.442 5.796 12.716 1.00 0.00 O ATOM 766 CB ALA A 51 8.104 5.031 13.019 1.00 0.00 C ATOM 0 H ALA A 51 7.905 4.568 10.593 1.00 0.00 H new ATOM 0 HA ALA A 51 9.189 6.528 11.944 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.348 5.440 13.999 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.136 5.416 12.697 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.060 3.944 13.080 1.00 0.00 H new ATOM 772 N SER A 52 10.709 3.669 12.635 1.00 0.00 N ATOM 773 CA SER A 52 11.974 3.101 13.085 1.00 0.00 C ATOM 774 C SER A 52 13.051 3.258 12.016 1.00 0.00 C ATOM 775 O SER A 52 14.104 3.848 12.262 1.00 0.00 O ATOM 776 CB SER A 52 11.798 1.621 13.433 1.00 0.00 C ATOM 777 OG SER A 52 12.863 1.157 14.244 1.00 0.00 O ATOM 0 H SER A 52 9.980 2.980 12.448 1.00 0.00 H new ATOM 0 HA SER A 52 12.290 3.642 13.977 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.851 1.477 13.953 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.751 1.032 12.517 1.00 0.00 H new ATOM 0 HG SER A 52 12.726 0.210 14.454 1.00 0.00 H new ATOM 783 N SER A 53 12.780 2.727 10.829 1.00 0.00 N ATOM 784 CA SER A 53 13.726 2.804 9.722 1.00 0.00 C ATOM 785 C SER A 53 14.153 4.247 9.473 1.00 0.00 C ATOM 786 O SER A 53 13.421 5.186 9.788 1.00 0.00 O ATOM 787 CB SER A 53 13.108 2.217 8.452 1.00 0.00 C ATOM 788 OG SER A 53 12.932 0.816 8.572 1.00 0.00 O ATOM 0 H SER A 53 11.912 2.238 10.609 1.00 0.00 H new ATOM 0 HA SER A 53 14.608 2.222 9.990 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.146 2.692 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.749 2.434 7.598 1.00 0.00 H new ATOM 0 HG SER A 53 12.534 0.465 7.748 1.00 0.00 H new ATOM 794 N ILE A 54 15.343 4.416 8.904 1.00 0.00 N ATOM 795 CA ILE A 54 15.867 5.744 8.611 1.00 0.00 C ATOM 796 C ILE A 54 16.437 5.810 7.198 1.00 0.00 C ATOM 797 O ILE A 54 16.330 6.833 6.523 1.00 0.00 O ATOM 798 CB ILE A 54 16.963 6.150 9.614 1.00 0.00 C ATOM 799 CG1 ILE A 54 17.506 7.540 9.274 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.085 5.123 9.617 1.00 0.00 C ATOM 801 CD1 ILE A 54 18.383 8.127 10.358 1.00 0.00 C ATOM 0 H ILE A 54 15.961 3.650 8.637 1.00 0.00 H new ATOM 0 HA ILE A 54 15.032 6.439 8.696 1.00 0.00 H new ATOM 0 HB ILE A 54 16.527 6.185 10.612 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.077 7.482 8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 54 16.669 8.214 9.090 1.00 0.00 H new ATOM 0 HG21 ILE A 54 18.852 5.424 10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.686 4.149 9.902 1.00 0.00 H new ATOM 0 HG23 ILE A 54 18.522 5.059 8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.732 9.112 10.050 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.810 8.218 11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.240 7.474 10.526 1.00 0.00 H new ATOM 813 N ASN A 55 17.042 4.712 6.758 1.00 0.00 N ATOM 814 CA ASN A 55 17.627 4.645 5.424 1.00 0.00 C ATOM 815 C ASN A 55 16.707 3.899 4.462 1.00 0.00 C ATOM 816 O ASN A 55 17.156 3.065 3.678 1.00 0.00 O ATOM 817 CB ASN A 55 18.993 3.956 5.478 1.00 0.00 C ATOM 818 CG ASN A 55 20.008 4.747 6.281 1.00 0.00 C ATOM 819 OD1 ASN A 55 20.420 4.198 7.418 1.00 0.00 O flip ATOM 820 ND2 ASN A 55 20.416 5.838 5.883 1.00 0.00 N flip ATOM 0 H ASN A 55 17.140 3.857 7.305 1.00 0.00 H new ATOM 0 HA ASN A 55 17.755 5.664 5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 55 18.880 2.965 5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.366 3.815 4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.071 6.221 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 55 21.099 6.359 6.433 1.00 0.00 H new ATOM 827 N GLY A 56 15.415 4.207 4.530 1.00 0.00 N ATOM 828 CA GLY A 56 14.452 3.558 3.660 1.00 0.00 C ATOM 829 C GLY A 56 13.540 2.609 4.411 1.00 0.00 C ATOM 830 O GLY A 56 13.915 2.070 5.453 1.00 0.00 O ATOM 0 H GLY A 56 15.019 4.894 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.850 4.317 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.982 3.008 2.882 1.00 0.00 H new ATOM 834 N VAL A 57 12.337 2.403 3.883 1.00 0.00 N ATOM 835 CA VAL A 57 11.368 1.513 4.511 1.00 0.00 C ATOM 836 C VAL A 57 11.498 0.092 3.973 1.00 0.00 C ATOM 837 O VAL A 57 11.241 -0.162 2.796 1.00 0.00 O ATOM 838 CB VAL A 57 9.926 2.005 4.288 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.929 1.031 4.896 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.744 3.399 4.869 1.00 0.00 C ATOM 0 H VAL A 57 12.011 2.841 3.022 1.00 0.00 H new ATOM 0 HA VAL A 57 11.583 1.515 5.580 1.00 0.00 H new ATOM 0 HB VAL A 57 9.739 2.056 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.916 1.396 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.045 0.053 4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.111 0.945 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.719 3.732 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.949 3.377 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.433 4.089 4.382 1.00 0.00 H new ATOM 850 N ARG A 58 11.898 -0.830 4.842 1.00 0.00 N ATOM 851 CA ARG A 58 12.062 -2.225 4.454 1.00 0.00 C ATOM 852 C ARG A 58 10.713 -2.936 4.393 1.00 0.00 C ATOM 853 O ARG A 58 10.050 -3.119 5.414 1.00 0.00 O ATOM 854 CB ARG A 58 12.986 -2.945 5.438 1.00 0.00 C ATOM 855 CG ARG A 58 13.162 -4.425 5.137 1.00 0.00 C ATOM 856 CD ARG A 58 13.834 -5.152 6.291 1.00 0.00 C ATOM 857 NE ARG A 58 13.473 -6.567 6.331 1.00 0.00 N ATOM 858 CZ ARG A 58 13.830 -7.389 7.311 1.00 0.00 C ATOM 859 NH1 ARG A 58 14.553 -6.939 8.328 1.00 0.00 N ATOM 860 NH2 ARG A 58 13.463 -8.664 7.276 1.00 0.00 N ATOM 0 H ARG A 58 12.115 -0.636 5.820 1.00 0.00 H new ATOM 0 HA ARG A 58 12.510 -2.249 3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.963 -2.462 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.587 -2.833 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.189 -4.875 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.759 -4.545 4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.916 -5.056 6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.551 -4.679 7.231 1.00 0.00 H new ATOM 0 HE ARG A 58 12.916 -6.944 5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.836 -5.960 8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.826 -7.572 9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.906 -9.013 6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.738 -9.295 8.029 1.00 0.00 H new ATOM 874 N CYS A 59 10.312 -3.332 3.190 1.00 0.00 N ATOM 875 CA CYS A 59 9.042 -4.021 2.995 1.00 0.00 C ATOM 876 C CYS A 59 9.057 -5.390 3.669 1.00 0.00 C ATOM 877 O CYS A 59 9.941 -6.215 3.436 1.00 0.00 O ATOM 878 CB CYS A 59 8.748 -4.179 1.502 1.00 0.00 C ATOM 879 SG CYS A 59 7.119 -4.909 1.139 1.00 0.00 S ATOM 0 H CYS A 59 10.849 -3.187 2.335 1.00 0.00 H new ATOM 0 HA CYS A 59 8.256 -3.419 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.811 -3.201 1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.522 -4.803 1.054 1.00 0.00 H new ATOM 884 N PRO A 60 8.055 -5.639 4.525 1.00 0.00 N ATOM 885 CA PRO A 60 7.929 -6.906 5.250 1.00 0.00 C ATOM 886 C PRO A 60 7.561 -8.066 4.331 1.00 0.00 C ATOM 887 O PRO A 60 7.345 -9.189 4.787 1.00 0.00 O ATOM 888 CB PRO A 60 6.799 -6.635 6.247 1.00 0.00 C ATOM 889 CG PRO A 60 5.993 -5.551 5.618 1.00 0.00 C ATOM 890 CD PRO A 60 6.967 -4.701 4.852 1.00 0.00 C ATOM 0 HA PRO A 60 8.868 -7.201 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.198 -7.528 6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.191 -6.326 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.232 -5.965 4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.473 -4.963 6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.514 -4.282 3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.325 -3.863 5.449 1.00 0.00 H new ATOM 898 N PHE A 61 7.493 -7.787 3.033 1.00 0.00 N ATOM 899 CA PHE A 61 7.151 -8.808 2.049 1.00 0.00 C ATOM 900 C PHE A 61 8.374 -9.201 1.226 1.00 0.00 C ATOM 901 O PHE A 61 8.789 -10.360 1.224 1.00 0.00 O ATOM 902 CB PHE A 61 6.040 -8.303 1.125 1.00 0.00 C ATOM 903 CG PHE A 61 4.777 -7.936 1.851 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.134 -8.860 2.658 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.234 -6.668 1.725 1.00 0.00 C ATOM 906 CE1 PHE A 61 2.971 -8.525 3.326 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.072 -6.327 2.391 1.00 0.00 C ATOM 908 CZ PHE A 61 2.440 -7.257 3.194 1.00 0.00 C ATOM 0 H PHE A 61 7.670 -6.863 2.638 1.00 0.00 H new ATOM 0 HA PHE A 61 6.797 -9.689 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.401 -7.432 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.815 -9.072 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.546 -9.853 2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.724 -5.937 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.478 -9.255 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.659 -5.335 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.533 -6.993 3.717 1.00 0.00 H new ATOM 918 N CYS A 62 8.947 -8.227 0.526 1.00 0.00 N ATOM 919 CA CYS A 62 10.121 -8.469 -0.303 1.00 0.00 C ATOM 920 C CYS A 62 11.382 -7.935 0.371 1.00 0.00 C ATOM 921 O CYS A 62 12.498 -8.292 -0.005 1.00 0.00 O ATOM 922 CB CYS A 62 9.946 -7.815 -1.675 1.00 0.00 C ATOM 923 SG CYS A 62 9.592 -6.029 -1.608 1.00 0.00 S ATOM 0 H CYS A 62 8.616 -7.262 0.517 1.00 0.00 H new ATOM 0 HA CYS A 62 10.228 -9.546 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.853 -7.973 -2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.135 -8.316 -2.203 1.00 0.00 H new ATOM 928 N SER A 63 11.195 -7.077 1.369 1.00 0.00 N ATOM 929 CA SER A 63 12.316 -6.490 2.093 1.00 0.00 C ATOM 930 C SER A 63 13.234 -5.724 1.145 1.00 0.00 C ATOM 931 O SER A 63 14.447 -5.938 1.128 1.00 0.00 O ATOM 932 CB SER A 63 13.108 -7.580 2.818 1.00 0.00 C ATOM 933 OG SER A 63 12.423 -8.021 3.978 1.00 0.00 O ATOM 0 H SER A 63 10.277 -6.773 1.694 1.00 0.00 H new ATOM 0 HA SER A 63 11.916 -5.791 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.272 -8.423 2.146 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.090 -7.197 3.095 1.00 0.00 H new ATOM 0 HG SER A 63 11.563 -7.556 4.047 1.00 0.00 H new ATOM 939 N LYS A 64 12.647 -4.831 0.356 1.00 0.00 N ATOM 940 CA LYS A 64 13.409 -4.031 -0.596 1.00 0.00 C ATOM 941 C LYS A 64 13.387 -2.556 -0.207 1.00 0.00 C ATOM 942 O LYS A 64 12.505 -1.807 -0.627 1.00 0.00 O ATOM 943 CB LYS A 64 12.846 -4.206 -2.007 1.00 0.00 C ATOM 944 CG LYS A 64 13.292 -5.489 -2.686 1.00 0.00 C ATOM 945 CD LYS A 64 12.654 -5.646 -4.057 1.00 0.00 C ATOM 946 CE LYS A 64 13.131 -6.912 -4.751 1.00 0.00 C ATOM 947 NZ LYS A 64 12.444 -7.122 -6.056 1.00 0.00 N ATOM 0 H LYS A 64 11.645 -4.643 0.357 1.00 0.00 H new ATOM 0 HA LYS A 64 14.442 -4.378 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.757 -4.190 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.151 -3.357 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.377 -5.490 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.029 -6.343 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.569 -5.673 -3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.894 -4.779 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.207 -6.854 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.952 -7.771 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.797 -7.995 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.419 -7.203 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.636 -6.315 -6.683 1.00 0.00 H new ATOM 961 N ILE A 65 14.364 -2.146 0.596 1.00 0.00 N ATOM 962 CA ILE A 65 14.457 -0.760 1.038 1.00 0.00 C ATOM 963 C ILE A 65 13.953 0.195 -0.038 1.00 0.00 C ATOM 964 O ILE A 65 14.429 0.177 -1.174 1.00 0.00 O ATOM 965 CB ILE A 65 15.904 -0.383 1.407 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.469 -1.376 2.424 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.958 1.035 1.955 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.652 -1.471 3.694 1.00 0.00 C ATOM 0 H ILE A 65 15.101 -2.753 0.953 1.00 0.00 H new ATOM 0 HA ILE A 65 13.829 -0.668 1.924 1.00 0.00 H new ATOM 0 HB ILE A 65 16.517 -0.427 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.526 -2.362 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.488 -1.083 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.987 1.287 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.591 1.731 1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.335 1.105 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.111 -2.193 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.616 -0.495 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.639 -1.793 3.452 1.00 0.00 H new ATOM 980 N THR A 66 12.987 1.033 0.327 1.00 0.00 N ATOM 981 CA THR A 66 12.418 1.997 -0.606 1.00 0.00 C ATOM 982 C THR A 66 13.272 3.257 -0.683 1.00 0.00 C ATOM 983 O THR A 66 13.312 3.929 -1.714 1.00 0.00 O ATOM 984 CB THR A 66 10.983 2.387 -0.206 1.00 0.00 C ATOM 985 OG1 THR A 66 10.221 1.211 0.091 1.00 0.00 O ATOM 986 CG2 THR A 66 10.304 3.169 -1.320 1.00 0.00 C ATOM 0 H THR A 66 12.583 1.063 1.263 1.00 0.00 H new ATOM 0 HA THR A 66 12.396 1.515 -1.584 1.00 0.00 H new ATOM 0 HB THR A 66 11.036 3.019 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.520 0.835 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.292 3.433 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.870 4.078 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.263 2.557 -2.221 1.00 0.00 H new ATOM 994 N ARG A 67 13.954 3.572 0.413 1.00 0.00 N ATOM 995 CA ARG A 67 14.807 4.753 0.470 1.00 0.00 C ATOM 996 C ARG A 67 13.982 6.027 0.316 1.00 0.00 C ATOM 997 O ARG A 67 14.252 6.851 -0.559 1.00 0.00 O ATOM 998 CB ARG A 67 15.876 4.689 -0.623 1.00 0.00 C ATOM 999 CG ARG A 67 17.159 4.006 -0.181 1.00 0.00 C ATOM 1000 CD ARG A 67 18.144 5.002 0.413 1.00 0.00 C ATOM 1001 NE ARG A 67 19.517 4.505 0.371 1.00 0.00 N ATOM 1002 CZ ARG A 67 20.585 5.290 0.461 1.00 0.00 C ATOM 1003 NH1 ARG A 67 20.439 6.600 0.598 1.00 0.00 N ATOM 1004 NH2 ARG A 67 21.802 4.763 0.415 1.00 0.00 N ATOM 0 H ARG A 67 13.932 3.026 1.274 1.00 0.00 H new ATOM 0 HA ARG A 67 15.294 4.772 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.471 4.159 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.108 5.702 -0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 67 16.928 3.237 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.617 3.503 -1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 67 18.082 5.943 -0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 67 17.867 5.214 1.446 1.00 0.00 H new ATOM 0 HE ARG A 67 19.664 3.501 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 67 19.505 7.008 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 67 21.261 7.200 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 67 21.918 3.755 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 67 22.622 5.366 0.484 1.00 0.00 H new ATOM 1018 N ILE A 68 12.977 6.182 1.170 1.00 0.00 N ATOM 1019 CA ILE A 68 12.114 7.356 1.129 1.00 0.00 C ATOM 1020 C ILE A 68 11.984 7.992 2.509 1.00 0.00 C ATOM 1021 O ILE A 68 11.409 7.403 3.425 1.00 0.00 O ATOM 1022 CB ILE A 68 10.709 7.004 0.605 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.168 5.767 1.324 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.747 6.774 -0.899 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.674 5.809 1.558 1.00 0.00 C ATOM 0 H ILE A 68 12.740 5.509 1.899 1.00 0.00 H new ATOM 0 HA ILE A 68 12.581 8.066 0.446 1.00 0.00 H new ATOM 0 HB ILE A 68 10.041 7.841 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.411 4.881 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.675 5.664 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.747 6.526 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.095 7.679 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.426 5.952 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.361 4.900 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.426 6.676 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.158 5.881 0.601 1.00 0.00 H new ATOM 1037 N THR A 69 12.522 9.200 2.651 1.00 0.00 N ATOM 1038 CA THR A 69 12.466 9.917 3.919 1.00 0.00 C ATOM 1039 C THR A 69 11.025 10.186 4.335 1.00 0.00 C ATOM 1040 O THR A 69 10.672 10.053 5.507 1.00 0.00 O ATOM 1041 CB THR A 69 13.225 11.255 3.841 1.00 0.00 C ATOM 1042 OG1 THR A 69 12.339 12.297 3.416 1.00 0.00 O ATOM 1043 CG2 THR A 69 14.399 11.156 2.877 1.00 0.00 C ATOM 0 H THR A 69 13.001 9.702 1.903 1.00 0.00 H new ATOM 0 HA THR A 69 12.943 9.280 4.664 1.00 0.00 H new ATOM 0 HB THR A 69 13.609 11.488 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.144 12.192 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.920 12.113 2.838 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.086 10.382 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.033 10.902 1.882 1.00 0.00 H new ATOM 1051 N SER A 70 10.196 10.565 3.368 1.00 0.00 N ATOM 1052 CA SER A 70 8.792 10.857 3.636 1.00 0.00 C ATOM 1053 C SER A 70 7.889 9.791 3.022 1.00 0.00 C ATOM 1054 O SER A 70 8.366 8.838 2.404 1.00 0.00 O ATOM 1055 CB SER A 70 8.421 12.235 3.084 1.00 0.00 C ATOM 1056 OG SER A 70 7.970 12.143 1.744 1.00 0.00 O ATOM 0 H SER A 70 10.472 10.677 2.392 1.00 0.00 H new ATOM 0 HA SER A 70 8.646 10.855 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.643 12.681 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.286 12.896 3.135 1.00 0.00 H new ATOM 0 HG SER A 70 8.042 13.021 1.314 1.00 0.00 H new ATOM 1062 N LEU A 71 6.583 9.960 3.196 1.00 0.00 N ATOM 1063 CA LEU A 71 5.611 9.013 2.659 1.00 0.00 C ATOM 1064 C LEU A 71 5.272 9.344 1.210 1.00 0.00 C ATOM 1065 O LEU A 71 5.238 8.462 0.351 1.00 0.00 O ATOM 1066 CB LEU A 71 4.339 9.022 3.508 1.00 0.00 C ATOM 1067 CG LEU A 71 4.528 8.768 5.004 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.272 9.149 5.773 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.888 7.311 5.256 1.00 0.00 C ATOM 0 H LEU A 71 6.172 10.743 3.704 1.00 0.00 H new ATOM 0 HA LEU A 71 6.054 8.018 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.850 9.988 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.659 8.267 3.115 1.00 0.00 H new ATOM 0 HG LEU A 71 5.349 9.391 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.425 8.961 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.057 10.206 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.432 8.553 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.019 7.148 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.088 6.669 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.815 7.070 4.736 1.00 0.00 H new ATOM 1081 N THR A 72 5.023 10.622 0.942 1.00 0.00 N ATOM 1082 CA THR A 72 4.687 11.070 -0.403 1.00 0.00 C ATOM 1083 C THR A 72 5.831 10.800 -1.374 1.00 0.00 C ATOM 1084 O THR A 72 5.671 10.931 -2.587 1.00 0.00 O ATOM 1085 CB THR A 72 4.353 12.574 -0.427 1.00 0.00 C ATOM 1086 OG1 THR A 72 3.931 12.961 -1.740 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.559 13.403 -0.012 1.00 0.00 C ATOM 0 H THR A 72 5.048 11.365 1.640 1.00 0.00 H new ATOM 0 HA THR A 72 3.808 10.505 -0.714 1.00 0.00 H new ATOM 0 HB THR A 72 3.546 12.756 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.396 12.414 -2.407 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.299 14.461 -0.037 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.860 13.127 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.383 13.216 -0.700 1.00 0.00 H new ATOM 1095 N GLN A 73 6.984 10.421 -0.832 1.00 0.00 N ATOM 1096 CA GLN A 73 8.154 10.132 -1.652 1.00 0.00 C ATOM 1097 C GLN A 73 7.949 8.857 -2.463 1.00 0.00 C ATOM 1098 O GLN A 73 7.890 8.894 -3.693 1.00 0.00 O ATOM 1099 CB GLN A 73 9.399 9.997 -0.773 1.00 0.00 C ATOM 1100 CG GLN A 73 10.204 11.281 -0.657 1.00 0.00 C ATOM 1101 CD GLN A 73 11.681 11.024 -0.428 1.00 0.00 C ATOM 1102 OE1 GLN A 73 12.240 11.418 0.596 1.00 0.00 O ATOM 1103 NE2 GLN A 73 12.322 10.360 -1.383 1.00 0.00 N ATOM 0 H GLN A 73 7.133 10.307 0.171 1.00 0.00 H new ATOM 0 HA GLN A 73 8.295 10.962 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.097 9.676 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.038 9.213 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.078 11.868 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.811 11.879 0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.819 10.052 -2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.317 10.158 -1.284 1.00 0.00 H new ATOM 1112 N LEU A 74 7.842 7.730 -1.768 1.00 0.00 N ATOM 1113 CA LEU A 74 7.644 6.442 -2.424 1.00 0.00 C ATOM 1114 C LEU A 74 6.562 6.538 -3.495 1.00 0.00 C ATOM 1115 O LEU A 74 5.893 7.563 -3.629 1.00 0.00 O ATOM 1116 CB LEU A 74 7.265 5.377 -1.394 1.00 0.00 C ATOM 1117 CG LEU A 74 6.094 5.720 -0.473 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.855 6.058 -1.287 1.00 0.00 C ATOM 1119 CD2 LEU A 74 5.810 4.568 0.481 1.00 0.00 C ATOM 0 H LEU A 74 7.889 7.682 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 74 8.580 6.158 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.026 4.456 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.139 5.171 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 74 6.366 6.595 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.032 6.299 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.063 6.915 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.580 5.202 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.974 4.830 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.560 3.675 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.693 4.373 1.090 1.00 0.00 H new ATOM 1131 N THR A 75 6.395 5.461 -4.257 1.00 0.00 N ATOM 1132 CA THR A 75 5.394 5.422 -5.316 1.00 0.00 C ATOM 1133 C THR A 75 3.983 5.406 -4.739 1.00 0.00 C ATOM 1134 O THR A 75 3.674 4.610 -3.853 1.00 0.00 O ATOM 1135 CB THR A 75 5.581 4.189 -6.220 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.879 4.217 -6.825 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.513 4.145 -7.303 1.00 0.00 C ATOM 0 H THR A 75 6.940 4.604 -4.160 1.00 0.00 H new ATOM 0 HA THR A 75 5.529 6.324 -5.912 1.00 0.00 H new ATOM 0 HB THR A 75 5.487 3.296 -5.602 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.991 3.429 -7.397 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.666 3.266 -7.929 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.527 4.094 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.580 5.043 -7.917 1.00 0.00 H new ATOM 1145 N ASP A 76 3.132 6.290 -5.247 1.00 0.00 N ATOM 1146 CA ASP A 76 1.752 6.376 -4.784 1.00 0.00 C ATOM 1147 C ASP A 76 0.886 5.315 -5.455 1.00 0.00 C ATOM 1148 O ASP A 76 1.111 4.956 -6.610 1.00 0.00 O ATOM 1149 CB ASP A 76 1.183 7.768 -5.063 1.00 0.00 C ATOM 1150 CG ASP A 76 1.840 8.842 -4.218 1.00 0.00 C ATOM 1151 OD1 ASP A 76 3.061 8.742 -3.975 1.00 0.00 O ATOM 1152 OD2 ASP A 76 1.133 9.783 -3.799 1.00 0.00 O ATOM 0 H ASP A 76 3.373 6.957 -5.980 1.00 0.00 H new ATOM 0 HA ASP A 76 1.745 6.198 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.317 8.007 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.110 7.764 -4.871 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.105 4.817 -4.722 1.00 0.00 N ATOM 1158 CA ASN A 77 -1.005 3.796 -5.246 1.00 0.00 C ATOM 1159 C ASN A 77 -2.431 4.328 -5.351 1.00 0.00 C ATOM 1160 O ASN A 77 -3.322 3.897 -4.618 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.976 2.554 -4.353 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.797 1.413 -4.921 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -3.023 1.395 -4.802 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -1.124 0.453 -5.545 1.00 0.00 N ATOM 0 H ASN A 77 -0.305 5.104 -3.764 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.664 3.525 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.056 2.227 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.354 2.812 -3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.623 -0.340 -5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.108 0.508 -5.620 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.640 5.267 -6.267 1.00 0.00 N ATOM 1172 CA LEU A 78 -3.958 5.859 -6.470 1.00 0.00 C ATOM 1173 C LEU A 78 -4.830 4.960 -7.340 1.00 0.00 C ATOM 1174 O LEU A 78 -5.870 5.386 -7.844 1.00 0.00 O ATOM 1175 CB LEU A 78 -3.825 7.240 -7.114 1.00 0.00 C ATOM 1176 CG LEU A 78 -2.907 7.326 -8.334 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.476 7.613 -7.906 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -2.974 6.039 -9.144 1.00 0.00 C ATOM 0 H LEU A 78 -1.914 5.635 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.436 5.965 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.818 7.579 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.460 7.937 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.249 8.147 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.837 7.671 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.440 8.561 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.124 6.813 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.315 6.118 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.658 5.201 -8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.997 5.875 -9.482 1.00 0.00 H new ATOM 1190 N THR A 79 -4.401 3.714 -7.511 1.00 0.00 N ATOM 1191 CA THR A 79 -5.143 2.754 -8.319 1.00 0.00 C ATOM 1192 C THR A 79 -6.180 2.015 -7.481 1.00 0.00 C ATOM 1193 O THR A 79 -7.115 1.419 -8.016 1.00 0.00 O ATOM 1194 CB THR A 79 -4.203 1.726 -8.976 1.00 0.00 C ATOM 1195 OG1 THR A 79 -4.924 0.944 -9.934 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.585 0.812 -7.929 1.00 0.00 C ATOM 0 H THR A 79 -3.543 3.346 -7.101 1.00 0.00 H new ATOM 0 HA THR A 79 -5.649 3.323 -9.099 1.00 0.00 H new ATOM 0 HB THR A 79 -3.403 2.268 -9.480 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.319 0.294 -10.348 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.925 0.094 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.012 1.408 -7.219 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.375 0.278 -7.401 1.00 0.00 H new ATOM 1204 N VAL A 80 -6.009 2.057 -6.164 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.931 1.393 -5.251 1.00 0.00 C ATOM 1206 C VAL A 80 -8.140 2.272 -4.954 1.00 0.00 C ATOM 1207 O VAL A 80 -9.180 1.787 -4.507 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.240 1.025 -3.924 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.284 -0.141 -4.126 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.510 2.230 -3.352 1.00 0.00 C ATOM 0 H VAL A 80 -5.240 2.544 -5.705 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.262 0.480 -5.746 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.004 0.719 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.805 -0.387 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.838 -1.007 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.523 0.135 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.028 1.952 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.755 2.569 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.223 3.034 -3.169 1.00 0.00 H new ATOM 1220 N LEU A 81 -7.998 3.569 -5.206 1.00 0.00 N ATOM 1221 CA LEU A 81 -9.079 4.518 -4.967 1.00 0.00 C ATOM 1222 C LEU A 81 -9.933 4.698 -6.218 1.00 0.00 C ATOM 1223 O LEU A 81 -11.142 4.910 -6.133 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.511 5.868 -4.525 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.743 5.872 -3.203 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -7.074 7.220 -2.979 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -8.673 5.537 -2.046 1.00 0.00 C ATOM 0 H LEU A 81 -7.144 3.987 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.710 4.119 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.848 6.235 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.334 6.578 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.967 5.108 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.532 7.205 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.378 7.420 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.833 8.002 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.110 5.544 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.471 6.278 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.105 4.549 -2.201 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.295 4.610 -7.381 1.00 0.00 N ATOM 1240 CA LYS A 82 -9.995 4.759 -8.651 1.00 0.00 C ATOM 1241 C LYS A 82 -10.589 3.429 -9.105 1.00 0.00 C ATOM 1242 O LYS A 82 -10.193 2.366 -8.626 1.00 0.00 O ATOM 1243 CB LYS A 82 -9.043 5.296 -9.722 1.00 0.00 C ATOM 1244 CG LYS A 82 -7.953 4.314 -10.114 1.00 0.00 C ATOM 1245 CD LYS A 82 -8.391 3.425 -11.267 1.00 0.00 C ATOM 1246 CE LYS A 82 -7.696 2.073 -11.224 1.00 0.00 C ATOM 1247 NZ LYS A 82 -8.449 1.088 -10.399 1.00 0.00 N ATOM 0 H LYS A 82 -8.294 4.436 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.809 5.470 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.619 5.560 -10.609 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.580 6.213 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.054 4.861 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.693 3.696 -9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.471 3.282 -11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.170 3.919 -12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.586 1.689 -12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.691 2.194 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.897 0.853 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.362 1.498 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.614 0.224 -10.954 1.00 0.00 H new ATOM 1261 N SER A 83 -11.539 3.496 -10.032 1.00 0.00 N ATOM 1262 CA SER A 83 -12.188 2.297 -10.548 1.00 0.00 C ATOM 1263 C SER A 83 -12.013 2.192 -12.060 1.00 0.00 C ATOM 1264 O SER A 83 -12.673 2.896 -12.823 1.00 0.00 O ATOM 1265 CB SER A 83 -13.677 2.306 -10.196 1.00 0.00 C ATOM 1266 OG SER A 83 -14.261 1.033 -10.416 1.00 0.00 O ATOM 0 H SER A 83 -11.876 4.368 -10.441 1.00 0.00 H new ATOM 0 HA SER A 83 -11.717 1.431 -10.084 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.805 2.593 -9.152 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.192 3.055 -10.798 1.00 0.00 H new ATOM 0 HG SER A 83 -15.212 1.065 -10.182 1.00 0.00 H new ATOM 1272 N GLY A 84 -11.116 1.307 -12.486 1.00 0.00 N ATOM 1273 CA GLY A 84 -10.869 1.126 -13.904 1.00 0.00 C ATOM 1274 C GLY A 84 -12.080 0.587 -14.640 1.00 0.00 C ATOM 1275 O GLY A 84 -12.834 -0.235 -14.120 1.00 0.00 O ATOM 0 H GLY A 84 -10.557 0.713 -11.874 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.576 2.080 -14.343 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.031 0.442 -14.039 1.00 0.00 H new ATOM 1279 N PRO A 85 -12.280 1.056 -15.881 1.00 0.00 N ATOM 1280 CA PRO A 85 -13.408 0.631 -16.715 1.00 0.00 C ATOM 1281 C PRO A 85 -13.273 -0.816 -17.178 1.00 0.00 C ATOM 1282 O PRO A 85 -13.980 -1.256 -18.085 1.00 0.00 O ATOM 1283 CB PRO A 85 -13.343 1.583 -17.912 1.00 0.00 C ATOM 1284 CG PRO A 85 -11.915 2.004 -17.984 1.00 0.00 C ATOM 1285 CD PRO A 85 -11.421 2.037 -16.565 1.00 0.00 C ATOM 0 HA PRO A 85 -14.353 0.670 -16.173 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.656 1.086 -18.830 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.002 2.440 -17.773 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.332 1.305 -18.584 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -11.820 2.983 -18.453 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.368 1.763 -16.500 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.520 3.031 -16.128 1.00 0.00 H new ATOM 1293 N SER A 86 -12.361 -1.551 -16.550 1.00 0.00 N ATOM 1294 CA SER A 86 -12.132 -2.948 -16.900 1.00 0.00 C ATOM 1295 C SER A 86 -13.401 -3.583 -17.461 1.00 0.00 C ATOM 1296 O SER A 86 -13.361 -4.293 -18.466 1.00 0.00 O ATOM 1297 CB SER A 86 -11.655 -3.731 -15.676 1.00 0.00 C ATOM 1298 OG SER A 86 -10.291 -3.464 -15.399 1.00 0.00 O ATOM 0 H SER A 86 -11.769 -1.202 -15.796 1.00 0.00 H new ATOM 0 HA SER A 86 -11.359 -2.982 -17.668 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.263 -3.466 -14.811 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.792 -4.799 -15.847 1.00 0.00 H new ATOM 0 HG SER A 86 -10.011 -3.975 -14.611 1.00 0.00 H new ATOM 1304 N SER A 87 -14.526 -3.321 -16.804 1.00 0.00 N ATOM 1305 CA SER A 87 -15.807 -3.869 -17.234 1.00 0.00 C ATOM 1306 C SER A 87 -16.937 -2.878 -16.973 1.00 0.00 C ATOM 1307 O SER A 87 -17.248 -2.562 -15.825 1.00 0.00 O ATOM 1308 CB SER A 87 -16.091 -5.187 -16.509 1.00 0.00 C ATOM 1309 OG SER A 87 -15.460 -6.274 -17.162 1.00 0.00 O ATOM 0 H SER A 87 -14.577 -2.733 -15.972 1.00 0.00 H new ATOM 0 HA SER A 87 -15.753 -4.057 -18.306 1.00 0.00 H new ATOM 0 HB2 SER A 87 -15.738 -5.123 -15.480 1.00 0.00 H new ATOM 0 HB3 SER A 87 -17.167 -5.358 -16.467 1.00 0.00 H new ATOM 0 HG SER A 87 -14.725 -5.940 -17.717 1.00 0.00 H new ATOM 1315 N GLY A 88 -17.549 -2.391 -18.048 1.00 0.00 N ATOM 1316 CA GLY A 88 -18.637 -1.441 -17.916 1.00 0.00 C ATOM 1317 C GLY A 88 -19.751 -1.692 -18.913 1.00 0.00 C ATOM 1318 O GLY A 88 -20.464 -2.685 -18.777 1.00 0.00 O ATOM 0 H GLY A 88 -17.310 -2.638 -19.008 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.040 -1.494 -16.905 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.252 -0.431 -18.053 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.990 -2.088 6.688 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.391 -5.462 -1.143 1.00 0.00 ZN