USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 930 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 TYR OH : rot 180:sc= -0.344 USER MOD Set 1.2: A 97 GLN : amide:sc= -6.59 K(o=-6.9,f=-9.7!) USER MOD Set 1.3: A 107 MET CE :methyl -147:sc= 0 (180deg=0) USER MOD Set 2.1: A 87 THR OG1 : rot -159:sc= 1.11 USER MOD Set 2.2: A 92 TYR OH : rot 72:sc= 1.17 USER MOD Set 3.1: A 40 ASN :FLIP amide:sc= -0.104 F(o=-0.26,f=0.58) USER MOD Set 3.2: A 80 THR OG1 : rot -86:sc= 0.571 USER MOD Set 3.3: A 82 GLN :FLIP amide:sc= 0.111 F(o=-1.2,f=0.58) USER MOD Set 4.1: A 36 THR OG1 : rot -5:sc= -1.24 USER MOD Set 4.2: A 84 GLN : amide:sc=-0.00151 X(o=-1.2,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 3 SER OG : rot 20:sc= 0.813 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.329 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0816 K(o=-0.082,f=-0.76) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -55:sc= 1.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 29 SER OG : rot -90:sc= -0.0839 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.876 K(o=-0.88,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00638 USER MOD Single : A 48 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 0:sc= -3.28! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.13 F(o=-1.1,f=-0.13) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -5.24! C(o=-6.4!,f=-5.2!) USER MOD Single : A 77 ASN :FLIP amide:sc= 0.394 F(o=-0.43,f=0.39) USER MOD Single : A 81 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.2) USER MOD Single : A 90 THR OG1 : rot 69:sc= 0.814 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -157:sc= 0.0929 (180deg=-0.478) USER MOD Single : A 100 ASN : amide:sc= -2.05 K(o=-2.1,f=-11!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 146:sc= -0.384 (180deg=-1.79!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 150:sc= 1.03 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 115 THR OG1 : rot -87:sc= 0.477 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -50.871 -22.507 -12.444 1.00 0.00 N ATOM 2 CA GLY A 1 -50.248 -22.909 -11.197 1.00 0.00 C ATOM 3 C GLY A 1 -49.157 -21.952 -10.759 1.00 0.00 C ATOM 4 O GLY A 1 -48.064 -21.944 -11.327 1.00 0.00 O ATOM 0 H1 GLY A 1 -51.609 -23.193 -12.700 1.00 0.00 H new ATOM 0 H2 GLY A 1 -51.298 -21.565 -12.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 -50.153 -22.474 -13.196 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -51.008 -22.970 -10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -49.827 -23.908 -11.310 1.00 0.00 H new ATOM 8 N SER A 2 -49.453 -21.141 -9.749 1.00 0.00 N ATOM 9 CA SER A 2 -48.490 -20.171 -9.239 1.00 0.00 C ATOM 10 C SER A 2 -48.898 -19.677 -7.854 1.00 0.00 C ATOM 11 O SER A 2 -50.077 -19.689 -7.501 1.00 0.00 O ATOM 12 CB SER A 2 -48.370 -18.987 -10.200 1.00 0.00 C ATOM 13 OG SER A 2 -47.710 -17.895 -9.584 1.00 0.00 O ATOM 0 H SER A 2 -50.352 -21.136 -9.267 1.00 0.00 H new ATOM 0 HA SER A 2 -47.522 -20.665 -9.159 1.00 0.00 H new ATOM 0 HB2 SER A 2 -47.821 -19.292 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 2 -49.363 -18.678 -10.527 1.00 0.00 H new ATOM 0 HG SER A 2 -47.644 -17.152 -10.219 1.00 0.00 H new ATOM 19 N SER A 3 -47.913 -19.244 -7.074 1.00 0.00 N ATOM 20 CA SER A 3 -48.167 -18.749 -5.726 1.00 0.00 C ATOM 21 C SER A 3 -47.041 -17.830 -5.263 1.00 0.00 C ATOM 22 O SER A 3 -46.009 -17.712 -5.924 1.00 0.00 O ATOM 23 CB SER A 3 -48.320 -19.918 -4.751 1.00 0.00 C ATOM 24 OG SER A 3 -49.603 -20.509 -4.862 1.00 0.00 O ATOM 0 H SER A 3 -46.932 -19.226 -7.352 1.00 0.00 H new ATOM 0 HA SER A 3 -49.095 -18.177 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 3 -47.553 -20.666 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 3 -48.164 -19.568 -3.731 1.00 0.00 H new ATOM 0 HG SER A 3 -50.002 -20.265 -5.723 1.00 0.00 H new ATOM 30 N GLY A 4 -47.247 -17.179 -4.122 1.00 0.00 N ATOM 31 CA GLY A 4 -46.241 -16.279 -3.589 1.00 0.00 C ATOM 32 C GLY A 4 -46.371 -16.086 -2.091 1.00 0.00 C ATOM 33 O GLY A 4 -47.105 -15.212 -1.632 1.00 0.00 O ATOM 0 H GLY A 4 -48.093 -17.259 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -45.250 -16.671 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -46.323 -15.312 -4.085 1.00 0.00 H new ATOM 37 N SER A 5 -45.657 -16.906 -1.327 1.00 0.00 N ATOM 38 CA SER A 5 -45.699 -16.825 0.129 1.00 0.00 C ATOM 39 C SER A 5 -45.708 -15.372 0.592 1.00 0.00 C ATOM 40 O SER A 5 -44.752 -14.631 0.366 1.00 0.00 O ATOM 41 CB SER A 5 -44.502 -17.559 0.736 1.00 0.00 C ATOM 42 OG SER A 5 -44.441 -18.899 0.281 1.00 0.00 O ATOM 0 H SER A 5 -45.043 -17.634 -1.691 1.00 0.00 H new ATOM 0 HA SER A 5 -46.619 -17.302 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 5 -43.581 -17.040 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 5 -44.576 -17.544 1.823 1.00 0.00 H new ATOM 0 HG SER A 5 -43.666 -19.346 0.682 1.00 0.00 H new ATOM 48 N SER A 6 -46.796 -14.971 1.242 1.00 0.00 N ATOM 49 CA SER A 6 -46.933 -13.606 1.734 1.00 0.00 C ATOM 50 C SER A 6 -45.628 -13.120 2.358 1.00 0.00 C ATOM 51 O SER A 6 -45.094 -13.744 3.274 1.00 0.00 O ATOM 52 CB SER A 6 -48.064 -13.522 2.761 1.00 0.00 C ATOM 53 OG SER A 6 -47.794 -14.341 3.885 1.00 0.00 O ATOM 0 H SER A 6 -47.595 -15.573 1.440 1.00 0.00 H new ATOM 0 HA SER A 6 -47.173 -12.963 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 6 -48.191 -12.488 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 6 -49.002 -13.830 2.299 1.00 0.00 H new ATOM 0 HG SER A 6 -46.829 -14.500 3.950 1.00 0.00 H new ATOM 59 N GLY A 7 -45.119 -11.999 1.854 1.00 0.00 N ATOM 60 CA GLY A 7 -43.881 -11.448 2.373 1.00 0.00 C ATOM 61 C GLY A 7 -44.117 -10.320 3.358 1.00 0.00 C ATOM 62 O GLY A 7 -44.806 -9.348 3.048 1.00 0.00 O ATOM 0 H GLY A 7 -45.542 -11.463 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -43.311 -12.239 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -43.274 -11.082 1.545 1.00 0.00 H new ATOM 66 N THR A 8 -43.544 -10.448 4.551 1.00 0.00 N ATOM 67 CA THR A 8 -43.697 -9.433 5.585 1.00 0.00 C ATOM 68 C THR A 8 -42.906 -8.176 5.244 1.00 0.00 C ATOM 69 O THR A 8 -43.432 -7.065 5.302 1.00 0.00 O ATOM 70 CB THR A 8 -43.239 -9.958 6.959 1.00 0.00 C ATOM 71 OG1 THR A 8 -44.026 -11.093 7.338 1.00 0.00 O ATOM 72 CG2 THR A 8 -43.359 -8.875 8.020 1.00 0.00 C ATOM 0 H THR A 8 -42.970 -11.245 4.825 1.00 0.00 H new ATOM 0 HA THR A 8 -44.758 -9.188 5.633 1.00 0.00 H new ATOM 0 HB THR A 8 -42.193 -10.252 6.879 1.00 0.00 H new ATOM 0 HG1 THR A 8 -43.727 -11.421 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 8 -43.030 -9.269 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 8 -42.735 -8.025 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 8 -44.398 -8.554 8.096 1.00 0.00 H new ATOM 80 N ALA A 9 -41.638 -8.359 4.888 1.00 0.00 N ATOM 81 CA ALA A 9 -40.775 -7.239 4.535 1.00 0.00 C ATOM 82 C ALA A 9 -40.902 -6.894 3.055 1.00 0.00 C ATOM 83 O ALA A 9 -41.555 -7.609 2.294 1.00 0.00 O ATOM 84 CB ALA A 9 -39.328 -7.558 4.883 1.00 0.00 C ATOM 0 H ALA A 9 -41.186 -9.272 4.837 1.00 0.00 H new ATOM 0 HA ALA A 9 -41.093 -6.371 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -38.694 -6.713 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -39.245 -7.748 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -39.007 -8.442 4.331 1.00 0.00 H new ATOM 90 N HIS A 10 -40.274 -5.794 2.653 1.00 0.00 N ATOM 91 CA HIS A 10 -40.316 -5.353 1.263 1.00 0.00 C ATOM 92 C HIS A 10 -38.924 -4.968 0.772 1.00 0.00 C ATOM 93 O HIS A 10 -38.201 -4.231 1.442 1.00 0.00 O ATOM 94 CB HIS A 10 -41.271 -4.168 1.110 1.00 0.00 C ATOM 95 CG HIS A 10 -42.612 -4.395 1.737 1.00 0.00 C ATOM 96 ND1 HIS A 10 -43.379 -5.514 1.490 1.00 0.00 N ATOM 97 CD2 HIS A 10 -43.322 -3.639 2.607 1.00 0.00 C ATOM 98 CE1 HIS A 10 -44.503 -5.436 2.179 1.00 0.00 C ATOM 99 NE2 HIS A 10 -44.493 -4.307 2.866 1.00 0.00 N ATOM 0 H HIS A 10 -39.730 -5.191 3.270 1.00 0.00 H new ATOM 0 HA HIS A 10 -40.679 -6.182 0.656 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -40.815 -3.284 1.557 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -41.406 -3.955 0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -43.023 -2.687 3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -45.295 -6.170 2.181 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -45.235 -3.984 3.488 1.00 0.00 H new ATOM 108 N GLY A 11 -38.555 -5.471 -0.402 1.00 0.00 N ATOM 109 CA GLY A 11 -37.251 -5.169 -0.962 1.00 0.00 C ATOM 110 C GLY A 11 -36.117 -5.731 -0.127 1.00 0.00 C ATOM 111 O GLY A 11 -36.235 -5.855 1.092 1.00 0.00 O ATOM 0 H GLY A 11 -39.136 -6.082 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -37.190 -5.574 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -37.136 -4.088 -1.045 1.00 0.00 H new ATOM 115 N THR A 12 -35.014 -6.075 -0.785 1.00 0.00 N ATOM 116 CA THR A 12 -33.856 -6.630 -0.097 1.00 0.00 C ATOM 117 C THR A 12 -32.633 -5.736 -0.268 1.00 0.00 C ATOM 118 O THR A 12 -32.398 -5.187 -1.345 1.00 0.00 O ATOM 119 CB THR A 12 -33.520 -8.043 -0.612 1.00 0.00 C ATOM 120 OG1 THR A 12 -34.694 -8.863 -0.594 1.00 0.00 O ATOM 121 CG2 THR A 12 -32.434 -8.685 0.238 1.00 0.00 C ATOM 0 H THR A 12 -34.899 -5.979 -1.794 1.00 0.00 H new ATOM 0 HA THR A 12 -34.115 -6.688 0.960 1.00 0.00 H new ATOM 0 HB THR A 12 -33.154 -7.955 -1.635 1.00 0.00 H new ATOM 0 HG1 THR A 12 -34.473 -9.759 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 12 -32.214 -9.682 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 12 -31.532 -8.074 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 12 -32.777 -8.760 1.270 1.00 0.00 H new ATOM 129 N THR A 13 -31.857 -5.592 0.802 1.00 0.00 N ATOM 130 CA THR A 13 -30.658 -4.763 0.770 1.00 0.00 C ATOM 131 C THR A 13 -29.429 -5.588 0.409 1.00 0.00 C ATOM 132 O THR A 13 -28.851 -6.265 1.259 1.00 0.00 O ATOM 133 CB THR A 13 -30.418 -4.071 2.125 1.00 0.00 C ATOM 134 OG1 THR A 13 -31.595 -3.362 2.529 1.00 0.00 O ATOM 135 CG2 THR A 13 -29.244 -3.107 2.040 1.00 0.00 C ATOM 0 H THR A 13 -32.037 -6.039 1.701 1.00 0.00 H new ATOM 0 HA THR A 13 -30.819 -4.003 0.005 1.00 0.00 H new ATOM 0 HB THR A 13 -30.185 -4.838 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 13 -31.434 -2.926 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 13 -29.094 -2.630 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 13 -28.343 -3.654 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 13 -29.453 -2.345 1.289 1.00 0.00 H new ATOM 143 N PHE A 14 -29.032 -5.526 -0.858 1.00 0.00 N ATOM 144 CA PHE A 14 -27.870 -6.268 -1.332 1.00 0.00 C ATOM 145 C PHE A 14 -26.801 -5.321 -1.870 1.00 0.00 C ATOM 146 O PHE A 14 -27.068 -4.146 -2.119 1.00 0.00 O ATOM 147 CB PHE A 14 -28.281 -7.261 -2.421 1.00 0.00 C ATOM 148 CG PHE A 14 -28.721 -6.602 -3.697 1.00 0.00 C ATOM 149 CD1 PHE A 14 -27.812 -5.918 -4.489 1.00 0.00 C ATOM 150 CD2 PHE A 14 -30.044 -6.667 -4.106 1.00 0.00 C ATOM 151 CE1 PHE A 14 -28.215 -5.311 -5.663 1.00 0.00 C ATOM 152 CE2 PHE A 14 -30.452 -6.062 -5.279 1.00 0.00 C ATOM 153 CZ PHE A 14 -29.536 -5.384 -6.059 1.00 0.00 C ATOM 0 H PHE A 14 -29.498 -4.970 -1.575 1.00 0.00 H new ATOM 0 HA PHE A 14 -27.453 -6.817 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -27.441 -7.923 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -29.092 -7.885 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.777 -5.859 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -30.764 -7.197 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -27.497 -4.780 -6.271 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -31.486 -6.119 -5.586 1.00 0.00 H new ATOM 0 HZ PHE A 14 -29.852 -4.912 -6.977 1.00 0.00 H new ATOM 163 N GLU A 15 -25.590 -5.841 -2.044 1.00 0.00 N ATOM 164 CA GLU A 15 -24.481 -5.041 -2.550 1.00 0.00 C ATOM 165 C GLU A 15 -23.526 -5.897 -3.377 1.00 0.00 C ATOM 166 O GLU A 15 -23.511 -7.122 -3.258 1.00 0.00 O ATOM 167 CB GLU A 15 -23.725 -4.387 -1.392 1.00 0.00 C ATOM 168 CG GLU A 15 -23.096 -3.052 -1.752 1.00 0.00 C ATOM 169 CD GLU A 15 -24.025 -1.881 -1.494 1.00 0.00 C ATOM 170 OE1 GLU A 15 -24.975 -1.692 -2.281 1.00 0.00 O ATOM 171 OE2 GLU A 15 -23.801 -1.155 -0.503 1.00 0.00 O ATOM 0 H GLU A 15 -25.352 -6.812 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 15 -24.892 -4.262 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.411 -4.242 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.944 -5.066 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.181 -2.919 -1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.812 -3.060 -2.804 1.00 0.00 H new ATOM 178 N LEU A 16 -22.731 -5.242 -4.216 1.00 0.00 N ATOM 179 CA LEU A 16 -21.772 -5.941 -5.065 1.00 0.00 C ATOM 180 C LEU A 16 -20.371 -5.362 -4.896 1.00 0.00 C ATOM 181 O LEU A 16 -20.122 -4.204 -5.231 1.00 0.00 O ATOM 182 CB LEU A 16 -22.200 -5.853 -6.531 1.00 0.00 C ATOM 183 CG LEU A 16 -23.662 -6.191 -6.825 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.050 -5.714 -8.216 1.00 0.00 C ATOM 185 CD2 LEU A 16 -23.901 -7.688 -6.687 1.00 0.00 C ATOM 0 H LEU A 16 -22.731 -4.228 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 16 -21.751 -6.988 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.003 -4.841 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.569 -6.524 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.288 -5.674 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.094 -5.963 -8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -23.917 -4.634 -8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -23.418 -6.203 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -24.947 -7.911 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.265 -8.224 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -23.663 -8.002 -5.671 1.00 0.00 H new ATOM 197 N VAL A 17 -19.459 -6.177 -4.375 1.00 0.00 N ATOM 198 CA VAL A 17 -18.081 -5.746 -4.165 1.00 0.00 C ATOM 199 C VAL A 17 -17.489 -5.158 -5.440 1.00 0.00 C ATOM 200 O VAL A 17 -17.870 -5.517 -6.555 1.00 0.00 O ATOM 201 CB VAL A 17 -17.195 -6.914 -3.691 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.526 -7.286 -2.254 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.357 -8.113 -4.612 1.00 0.00 C ATOM 0 H VAL A 17 -19.649 -7.138 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.103 -4.979 -3.391 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.153 -6.595 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.890 -8.113 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.353 -6.426 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.572 -7.586 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.724 -8.929 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.398 -8.435 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.065 -7.836 -5.625 1.00 0.00 H new ATOM 213 N PRO A 18 -16.532 -4.232 -5.276 1.00 0.00 N ATOM 214 CA PRO A 18 -15.865 -3.575 -6.403 1.00 0.00 C ATOM 215 C PRO A 18 -14.950 -4.524 -7.170 1.00 0.00 C ATOM 216 O PRO A 18 -13.824 -4.791 -6.751 1.00 0.00 O ATOM 217 CB PRO A 18 -15.046 -2.468 -5.734 1.00 0.00 C ATOM 218 CG PRO A 18 -14.810 -2.957 -4.347 1.00 0.00 C ATOM 219 CD PRO A 18 -16.029 -3.756 -3.977 1.00 0.00 C ATOM 0 HA PRO A 18 -16.579 -3.210 -7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.106 -2.298 -6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.586 -1.521 -5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.911 -3.571 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.665 -2.124 -3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.780 -4.585 -3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.768 -3.145 -3.459 1.00 0.00 H new ATOM 227 N THR A 19 -15.442 -5.032 -8.296 1.00 0.00 N ATOM 228 CA THR A 19 -14.669 -5.953 -9.120 1.00 0.00 C ATOM 229 C THR A 19 -13.694 -5.200 -10.018 1.00 0.00 C ATOM 230 O THR A 19 -13.176 -5.753 -10.988 1.00 0.00 O ATOM 231 CB THR A 19 -15.586 -6.827 -9.996 1.00 0.00 C ATOM 232 OG1 THR A 19 -14.799 -7.727 -10.784 1.00 0.00 O ATOM 233 CG2 THR A 19 -16.446 -5.965 -10.909 1.00 0.00 C ATOM 0 H THR A 19 -16.372 -4.821 -8.658 1.00 0.00 H new ATOM 0 HA THR A 19 -14.110 -6.595 -8.439 1.00 0.00 H new ATOM 0 HB THR A 19 -16.242 -7.398 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.142 -7.218 -11.303 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.085 -6.605 -11.518 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.066 -5.302 -10.306 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.804 -5.370 -11.559 1.00 0.00 H new ATOM 241 N SER A 20 -13.449 -3.936 -9.689 1.00 0.00 N ATOM 242 CA SER A 20 -12.537 -3.106 -10.469 1.00 0.00 C ATOM 243 C SER A 20 -11.500 -2.444 -9.567 1.00 0.00 C ATOM 244 O SER A 20 -11.793 -2.017 -8.450 1.00 0.00 O ATOM 245 CB SER A 20 -13.318 -2.039 -11.238 1.00 0.00 C ATOM 246 OG SER A 20 -13.503 -0.876 -10.450 1.00 0.00 O ATOM 0 H SER A 20 -13.869 -3.464 -8.888 1.00 0.00 H new ATOM 0 HA SER A 20 -12.017 -3.748 -11.180 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.784 -1.781 -12.153 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.287 -2.438 -11.537 1.00 0.00 H new ATOM 0 HG SER A 20 -14.003 -0.209 -10.964 1.00 0.00 H new ATOM 252 N PRO A 21 -10.257 -2.355 -10.063 1.00 0.00 N ATOM 253 CA PRO A 21 -9.150 -1.746 -9.320 1.00 0.00 C ATOM 254 C PRO A 21 -9.308 -0.235 -9.180 1.00 0.00 C ATOM 255 O PRO A 21 -10.133 0.391 -9.846 1.00 0.00 O ATOM 256 CB PRO A 21 -7.924 -2.079 -10.173 1.00 0.00 C ATOM 257 CG PRO A 21 -8.459 -2.260 -11.551 1.00 0.00 C ATOM 258 CD PRO A 21 -9.836 -2.843 -11.387 1.00 0.00 C ATOM 0 HA PRO A 21 -9.089 -2.121 -8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.187 -1.277 -10.137 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.429 -2.983 -9.819 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.498 -1.309 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.821 -2.924 -12.133 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.512 -2.506 -12.173 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.819 -3.932 -11.427 1.00 0.00 H new ATOM 266 N PRO A 22 -8.498 0.366 -8.296 1.00 0.00 N ATOM 267 CA PRO A 22 -8.529 1.811 -8.049 1.00 0.00 C ATOM 268 C PRO A 22 -7.993 2.612 -9.231 1.00 0.00 C ATOM 269 O PRO A 22 -7.762 2.066 -10.311 1.00 0.00 O ATOM 270 CB PRO A 22 -7.618 1.982 -6.831 1.00 0.00 C ATOM 271 CG PRO A 22 -6.695 0.814 -6.881 1.00 0.00 C ATOM 272 CD PRO A 22 -7.491 -0.319 -7.468 1.00 0.00 C ATOM 0 HA PRO A 22 -9.544 2.177 -7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.069 2.923 -6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.193 1.993 -5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.820 1.034 -7.493 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.332 0.561 -5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.865 -0.984 -8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.955 -0.928 -6.693 1.00 0.00 H new ATOM 280 N LYS A 23 -7.798 3.909 -9.021 1.00 0.00 N ATOM 281 CA LYS A 23 -7.288 4.786 -10.068 1.00 0.00 C ATOM 282 C LYS A 23 -6.360 5.847 -9.485 1.00 0.00 C ATOM 283 O LYS A 23 -6.230 5.970 -8.267 1.00 0.00 O ATOM 284 CB LYS A 23 -8.446 5.458 -10.808 1.00 0.00 C ATOM 285 CG LYS A 23 -9.704 4.608 -10.869 1.00 0.00 C ATOM 286 CD LYS A 23 -10.813 5.307 -11.637 1.00 0.00 C ATOM 287 CE LYS A 23 -11.403 6.460 -10.840 1.00 0.00 C ATOM 288 NZ LYS A 23 -12.392 7.237 -11.637 1.00 0.00 N ATOM 0 H LYS A 23 -7.986 4.377 -8.134 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.719 4.178 -10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.680 6.403 -10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.128 5.695 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.477 3.654 -11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.044 4.387 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.422 5.680 -12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.598 4.590 -11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.885 6.072 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.602 7.122 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.771 8.014 -11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.927 7.629 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.170 6.612 -11.930 1.00 0.00 H new ATOM 302 N ASP A 24 -5.718 6.611 -10.362 1.00 0.00 N ATOM 303 CA ASP A 24 -4.804 7.664 -9.934 1.00 0.00 C ATOM 304 C ASP A 24 -3.743 7.110 -8.987 1.00 0.00 C ATOM 305 O ASP A 24 -3.408 7.734 -7.980 1.00 0.00 O ATOM 306 CB ASP A 24 -5.576 8.792 -9.249 1.00 0.00 C ATOM 307 CG ASP A 24 -6.072 9.834 -10.233 1.00 0.00 C ATOM 308 OD1 ASP A 24 -5.227 10.523 -10.842 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.304 9.960 -10.394 1.00 0.00 O ATOM 0 H ASP A 24 -5.814 6.521 -11.374 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.306 8.060 -10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.425 8.372 -8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.934 9.271 -8.510 1.00 0.00 H new ATOM 314 N VAL A 25 -3.218 5.934 -9.317 1.00 0.00 N ATOM 315 CA VAL A 25 -2.195 5.296 -8.497 1.00 0.00 C ATOM 316 C VAL A 25 -0.841 5.972 -8.683 1.00 0.00 C ATOM 317 O VAL A 25 -0.250 5.917 -9.762 1.00 0.00 O ATOM 318 CB VAL A 25 -2.060 3.799 -8.832 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.839 3.206 -8.146 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.322 3.048 -8.434 1.00 0.00 C ATOM 0 H VAL A 25 -3.484 5.404 -10.147 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.510 5.401 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.928 3.696 -9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.760 2.148 -8.394 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.057 3.726 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.938 3.319 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.209 1.992 -8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.488 3.157 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.175 3.456 -8.976 1.00 0.00 H new ATOM 330 N THR A 26 -0.354 6.610 -7.623 1.00 0.00 N ATOM 331 CA THR A 26 0.931 7.297 -7.669 1.00 0.00 C ATOM 332 C THR A 26 1.811 6.897 -6.490 1.00 0.00 C ATOM 333 O THR A 26 1.324 6.703 -5.377 1.00 0.00 O ATOM 334 CB THR A 26 0.750 8.827 -7.664 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.159 9.209 -6.626 1.00 0.00 O ATOM 336 CG2 THR A 26 0.227 9.314 -9.007 1.00 0.00 C ATOM 0 H THR A 26 -0.830 6.665 -6.723 1.00 0.00 H new ATOM 0 HA THR A 26 1.416 6.999 -8.598 1.00 0.00 H new ATOM 0 HB THR A 26 1.722 9.285 -7.482 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.267 10.183 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.107 10.397 -8.980 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.935 9.047 -9.792 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.736 8.847 -9.213 1.00 0.00 H new ATOM 344 N VAL A 27 3.110 6.775 -6.743 1.00 0.00 N ATOM 345 CA VAL A 27 4.059 6.400 -5.701 1.00 0.00 C ATOM 346 C VAL A 27 5.258 7.341 -5.685 1.00 0.00 C ATOM 347 O VAL A 27 6.107 7.298 -6.576 1.00 0.00 O ATOM 348 CB VAL A 27 4.557 4.955 -5.890 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.474 4.552 -4.745 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.381 3.997 -6.005 1.00 0.00 C ATOM 0 H VAL A 27 3.529 6.930 -7.660 1.00 0.00 H new ATOM 0 HA VAL A 27 3.531 6.473 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 27 5.129 4.904 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.816 3.528 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.334 5.221 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.930 4.618 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.751 2.981 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.780 4.048 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.768 4.275 -6.862 1.00 0.00 H new ATOM 360 N VAL A 28 5.322 8.192 -4.666 1.00 0.00 N ATOM 361 CA VAL A 28 6.418 9.144 -4.532 1.00 0.00 C ATOM 362 C VAL A 28 7.323 8.779 -3.361 1.00 0.00 C ATOM 363 O VAL A 28 7.017 7.873 -2.585 1.00 0.00 O ATOM 364 CB VAL A 28 5.895 10.579 -4.334 1.00 0.00 C ATOM 365 CG1 VAL A 28 5.078 11.020 -5.540 1.00 0.00 C ATOM 366 CG2 VAL A 28 5.072 10.674 -3.059 1.00 0.00 C ATOM 0 H VAL A 28 4.627 8.242 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 28 6.991 9.099 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 28 6.749 11.249 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.716 12.036 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.703 10.991 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.229 10.349 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.710 11.695 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.223 9.993 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.692 10.402 -2.205 1.00 0.00 H new ATOM 376 N SER A 29 8.439 9.490 -3.238 1.00 0.00 N ATOM 377 CA SER A 29 9.391 9.239 -2.162 1.00 0.00 C ATOM 378 C SER A 29 9.447 10.421 -1.199 1.00 0.00 C ATOM 379 O SER A 29 9.374 11.578 -1.612 1.00 0.00 O ATOM 380 CB SER A 29 10.783 8.970 -2.738 1.00 0.00 C ATOM 381 OG SER A 29 10.894 7.637 -3.204 1.00 0.00 O ATOM 0 H SER A 29 8.706 10.245 -3.870 1.00 0.00 H new ATOM 0 HA SER A 29 9.056 8.360 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.981 9.662 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.538 9.155 -1.974 1.00 0.00 H new ATOM 0 HG SER A 29 11.215 7.062 -2.478 1.00 0.00 H new ATOM 387 N LYS A 30 9.575 10.120 0.089 1.00 0.00 N ATOM 388 CA LYS A 30 9.641 11.155 1.114 1.00 0.00 C ATOM 389 C LYS A 30 11.010 11.828 1.120 1.00 0.00 C ATOM 390 O LYS A 30 12.012 11.220 0.745 1.00 0.00 O ATOM 391 CB LYS A 30 9.349 10.557 2.492 1.00 0.00 C ATOM 392 CG LYS A 30 9.089 11.600 3.565 1.00 0.00 C ATOM 393 CD LYS A 30 7.607 11.905 3.698 1.00 0.00 C ATOM 394 CE LYS A 30 6.967 11.088 4.810 1.00 0.00 C ATOM 395 NZ LYS A 30 5.625 11.614 5.184 1.00 0.00 N ATOM 0 H LYS A 30 9.635 9.167 0.448 1.00 0.00 H new ATOM 0 HA LYS A 30 8.886 11.907 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.482 9.901 2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.193 9.938 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.475 11.245 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.629 12.515 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.470 12.967 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.105 11.693 2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.874 10.050 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.616 11.095 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.223 11.030 5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.717 12.596 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.997 11.584 4.356 1.00 0.00 H new ATOM 409 N GLU A 31 11.044 13.086 1.549 1.00 0.00 N ATOM 410 CA GLU A 31 12.291 13.840 1.604 1.00 0.00 C ATOM 411 C GLU A 31 13.043 13.555 2.901 1.00 0.00 C ATOM 412 O GLU A 31 14.186 13.100 2.881 1.00 0.00 O ATOM 413 CB GLU A 31 12.012 15.340 1.482 1.00 0.00 C ATOM 414 CG GLU A 31 13.254 16.203 1.622 1.00 0.00 C ATOM 415 CD GLU A 31 14.018 16.341 0.319 1.00 0.00 C ATOM 416 OE1 GLU A 31 13.973 15.397 -0.497 1.00 0.00 O ATOM 417 OE2 GLU A 31 14.661 17.392 0.116 1.00 0.00 O ATOM 0 H GLU A 31 10.223 13.604 1.863 1.00 0.00 H new ATOM 0 HA GLU A 31 12.914 13.524 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.550 15.538 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.290 15.630 2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.966 17.193 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.909 15.771 2.379 1.00 0.00 H new ATOM 424 N GLY A 32 12.392 13.826 4.028 1.00 0.00 N ATOM 425 CA GLY A 32 13.013 13.594 5.318 1.00 0.00 C ATOM 426 C GLY A 32 13.666 12.229 5.410 1.00 0.00 C ATOM 427 O GLY A 32 14.668 12.057 6.105 1.00 0.00 O ATOM 0 H GLY A 32 11.445 14.202 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.762 14.365 5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.261 13.687 6.102 1.00 0.00 H new ATOM 431 N LYS A 33 13.098 11.255 4.707 1.00 0.00 N ATOM 432 CA LYS A 33 13.631 9.897 4.711 1.00 0.00 C ATOM 433 C LYS A 33 13.519 9.265 3.328 1.00 0.00 C ATOM 434 O LYS A 33 12.477 9.321 2.675 1.00 0.00 O ATOM 435 CB LYS A 33 12.887 9.039 5.737 1.00 0.00 C ATOM 436 CG LYS A 33 13.216 7.559 5.644 1.00 0.00 C ATOM 437 CD LYS A 33 14.342 7.177 6.590 1.00 0.00 C ATOM 438 CE LYS A 33 13.805 6.664 7.917 1.00 0.00 C ATOM 439 NZ LYS A 33 14.827 6.744 8.997 1.00 0.00 N ATOM 0 H LYS A 33 12.268 11.380 4.127 1.00 0.00 H new ATOM 0 HA LYS A 33 14.685 9.947 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.128 9.394 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.814 9.173 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.328 6.973 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.500 7.312 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.963 6.410 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.981 8.043 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.928 7.245 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.479 5.630 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.422 6.385 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.654 6.169 8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.120 7.734 9.125 1.00 0.00 H new ATOM 453 N PRO A 34 14.618 8.647 2.868 1.00 0.00 N ATOM 454 CA PRO A 34 14.667 7.991 1.558 1.00 0.00 C ATOM 455 C PRO A 34 13.817 6.726 1.512 1.00 0.00 C ATOM 456 O PRO A 34 13.156 6.446 0.511 1.00 0.00 O ATOM 457 CB PRO A 34 16.149 7.646 1.390 1.00 0.00 C ATOM 458 CG PRO A 34 16.674 7.544 2.781 1.00 0.00 C ATOM 459 CD PRO A 34 15.896 8.542 3.592 1.00 0.00 C ATOM 0 HA PRO A 34 14.271 8.628 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.278 6.709 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.673 8.416 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.544 6.536 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.741 7.763 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.750 8.201 4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.408 9.503 3.645 1.00 0.00 H new ATOM 467 N LYS A 35 13.838 5.964 2.600 1.00 0.00 N ATOM 468 CA LYS A 35 13.068 4.729 2.685 1.00 0.00 C ATOM 469 C LYS A 35 11.573 5.024 2.768 1.00 0.00 C ATOM 470 O LYS A 35 10.753 4.292 2.213 1.00 0.00 O ATOM 471 CB LYS A 35 13.506 3.913 3.904 1.00 0.00 C ATOM 472 CG LYS A 35 15.013 3.799 4.049 1.00 0.00 C ATOM 473 CD LYS A 35 15.398 3.152 5.369 1.00 0.00 C ATOM 474 CE LYS A 35 16.886 3.300 5.649 1.00 0.00 C ATOM 475 NZ LYS A 35 17.285 2.611 6.907 1.00 0.00 N ATOM 0 H LYS A 35 14.381 6.180 3.436 1.00 0.00 H new ATOM 0 HA LYS A 35 13.257 4.150 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.096 4.372 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.079 2.912 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.416 3.212 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.462 4.790 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.827 3.607 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.134 2.095 5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.455 2.890 4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.139 4.358 5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.306 2.735 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.761 3.019 7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.067 1.597 6.831 1.00 0.00 H new ATOM 489 N THR A 36 11.225 6.103 3.463 1.00 0.00 N ATOM 490 CA THR A 36 9.830 6.495 3.618 1.00 0.00 C ATOM 491 C THR A 36 9.225 6.914 2.283 1.00 0.00 C ATOM 492 O THR A 36 9.728 7.823 1.621 1.00 0.00 O ATOM 493 CB THR A 36 9.680 7.652 4.622 1.00 0.00 C ATOM 494 OG1 THR A 36 10.121 7.236 5.919 1.00 0.00 O ATOM 495 CG2 THR A 36 8.234 8.118 4.699 1.00 0.00 C ATOM 0 H THR A 36 11.891 6.721 3.927 1.00 0.00 H new ATOM 0 HA THR A 36 9.297 5.623 3.998 1.00 0.00 H new ATOM 0 HB THR A 36 10.296 8.483 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.344 6.282 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.153 8.936 5.415 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.910 8.462 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.602 7.290 5.021 1.00 0.00 H new ATOM 503 N ILE A 37 8.144 6.247 1.892 1.00 0.00 N ATOM 504 CA ILE A 37 7.471 6.552 0.637 1.00 0.00 C ATOM 505 C ILE A 37 5.970 6.724 0.845 1.00 0.00 C ATOM 506 O ILE A 37 5.404 6.204 1.808 1.00 0.00 O ATOM 507 CB ILE A 37 7.709 5.451 -0.413 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.069 4.137 0.040 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.199 5.263 -0.655 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.639 3.247 -1.105 1.00 0.00 C ATOM 0 H ILE A 37 7.716 5.492 2.427 1.00 0.00 H new ATOM 0 HA ILE A 37 7.895 7.488 0.272 1.00 0.00 H new ATOM 0 HB ILE A 37 7.244 5.757 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.778 3.594 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.202 4.360 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.351 4.482 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.630 6.197 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.686 4.976 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.194 2.334 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.906 3.771 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.507 2.993 -1.714 1.00 0.00 H new ATOM 522 N ILE A 38 5.331 7.453 -0.063 1.00 0.00 N ATOM 523 CA ILE A 38 3.896 7.690 0.020 1.00 0.00 C ATOM 524 C ILE A 38 3.171 7.104 -1.187 1.00 0.00 C ATOM 525 O ILE A 38 3.626 7.236 -2.323 1.00 0.00 O ATOM 526 CB ILE A 38 3.578 9.194 0.115 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.415 9.847 1.217 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.094 9.407 0.374 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.782 10.297 0.750 1.00 0.00 C ATOM 0 H ILE A 38 5.785 7.890 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 38 3.547 7.195 0.926 1.00 0.00 H new ATOM 0 HB ILE A 38 3.832 9.664 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.874 10.707 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.535 9.140 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.886 10.475 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.516 8.973 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.816 8.926 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.320 10.750 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.342 9.437 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.671 11.028 -0.051 1.00 0.00 H new ATOM 541 N VAL A 39 2.038 6.457 -0.933 1.00 0.00 N ATOM 542 CA VAL A 39 1.247 5.853 -1.998 1.00 0.00 C ATOM 543 C VAL A 39 -0.171 6.412 -2.015 1.00 0.00 C ATOM 544 O VAL A 39 -0.978 6.110 -1.136 1.00 0.00 O ATOM 545 CB VAL A 39 1.182 4.321 -1.849 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.230 3.724 -2.875 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.570 3.714 -1.981 1.00 0.00 C ATOM 0 H VAL A 39 1.647 6.338 0.002 1.00 0.00 H new ATOM 0 HA VAL A 39 1.742 6.099 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 39 0.801 4.086 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.197 2.641 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.768 4.136 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.578 3.967 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.505 2.631 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.982 3.957 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.219 4.118 -1.204 1.00 0.00 H new ATOM 557 N ASN A 40 -0.468 7.227 -3.021 1.00 0.00 N ATOM 558 CA ASN A 40 -1.790 7.829 -3.153 1.00 0.00 C ATOM 559 C ASN A 40 -2.600 7.131 -4.242 1.00 0.00 C ATOM 560 O ASN A 40 -2.043 6.451 -5.104 1.00 0.00 O ATOM 561 CB ASN A 40 -1.665 9.320 -3.472 1.00 0.00 C ATOM 562 CG ASN A 40 -0.602 10.003 -2.634 1.00 0.00 C ATOM 563 OD1 ASN A 40 0.660 9.781 -2.983 1.00 0.00 O flip ATOM 564 ND2 ASN A 40 -0.911 10.723 -1.684 1.00 0.00 N flip ATOM 0 H ASN A 40 0.189 7.486 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.312 7.710 -2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.426 9.444 -4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.625 9.807 -3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.894 10.866 -1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.184 11.176 -1.130 1.00 0.00 H new ATOM 571 N TRP A 41 -3.915 7.304 -4.195 1.00 0.00 N ATOM 572 CA TRP A 41 -4.802 6.692 -5.178 1.00 0.00 C ATOM 573 C TRP A 41 -6.216 7.250 -5.059 1.00 0.00 C ATOM 574 O TRP A 41 -6.489 8.094 -4.205 1.00 0.00 O ATOM 575 CB TRP A 41 -4.823 5.173 -4.999 1.00 0.00 C ATOM 576 CG TRP A 41 -5.364 4.739 -3.670 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.678 4.603 -3.325 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.603 4.386 -2.510 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.780 4.187 -2.019 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.522 4.045 -1.497 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.236 4.322 -2.228 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.115 3.649 -0.226 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.834 3.928 -0.966 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.770 3.595 0.022 1.00 0.00 C ATOM 0 H TRP A 41 -4.391 7.863 -3.487 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.421 6.929 -6.171 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.426 4.729 -5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.810 4.787 -5.115 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.514 4.794 -3.982 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.652 4.012 -1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.507 4.576 -2.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.835 3.393 0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.780 3.876 -0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.423 3.290 0.998 1.00 0.00 H new ATOM 595 N GLN A 42 -7.110 6.773 -5.918 1.00 0.00 N ATOM 596 CA GLN A 42 -8.496 7.226 -5.908 1.00 0.00 C ATOM 597 C GLN A 42 -9.455 6.047 -6.035 1.00 0.00 C ATOM 598 O GLN A 42 -9.114 4.993 -6.573 1.00 0.00 O ATOM 599 CB GLN A 42 -8.738 8.221 -7.044 1.00 0.00 C ATOM 600 CG GLN A 42 -8.021 9.548 -6.854 1.00 0.00 C ATOM 601 CD GLN A 42 -8.352 10.205 -5.529 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.520 10.345 -5.166 1.00 0.00 O ATOM 603 NE2 GLN A 42 -7.321 10.613 -4.796 1.00 0.00 N ATOM 0 H GLN A 42 -6.900 6.073 -6.630 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.683 7.721 -4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.413 7.773 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.809 8.405 -7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.945 9.387 -6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.291 10.222 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.369 10.477 -5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.482 11.062 -3.894 1.00 0.00 H new ATOM 612 N PRO A 43 -10.685 6.226 -5.530 1.00 0.00 N ATOM 613 CA PRO A 43 -11.719 5.188 -5.576 1.00 0.00 C ATOM 614 C PRO A 43 -12.230 4.941 -6.991 1.00 0.00 C ATOM 615 O PRO A 43 -12.319 5.854 -7.813 1.00 0.00 O ATOM 616 CB PRO A 43 -12.834 5.759 -4.696 1.00 0.00 C ATOM 617 CG PRO A 43 -12.643 7.236 -4.753 1.00 0.00 C ATOM 618 CD PRO A 43 -11.160 7.457 -4.875 1.00 0.00 C ATOM 0 HA PRO A 43 -11.343 4.222 -5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.818 5.472 -5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.760 5.389 -3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.173 7.666 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.037 7.715 -3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.933 8.342 -5.470 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.693 7.600 -3.900 1.00 0.00 H new ATOM 626 N PRO A 44 -12.575 3.679 -7.284 1.00 0.00 N ATOM 627 CA PRO A 44 -13.084 3.283 -8.601 1.00 0.00 C ATOM 628 C PRO A 44 -14.482 3.831 -8.870 1.00 0.00 C ATOM 629 O PRO A 44 -15.194 4.223 -7.946 1.00 0.00 O ATOM 630 CB PRO A 44 -13.115 1.754 -8.524 1.00 0.00 C ATOM 631 CG PRO A 44 -13.241 1.450 -7.071 1.00 0.00 C ATOM 632 CD PRO A 44 -12.495 2.540 -6.354 1.00 0.00 C ATOM 0 HA PRO A 44 -12.466 3.670 -9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.954 1.346 -9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.208 1.318 -8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.287 1.428 -6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.820 0.472 -6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.952 2.774 -5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.462 2.256 -6.155 1.00 0.00 H new ATOM 640 N SER A 45 -14.868 3.855 -10.142 1.00 0.00 N ATOM 641 CA SER A 45 -16.179 4.358 -10.533 1.00 0.00 C ATOM 642 C SER A 45 -17.274 3.356 -10.179 1.00 0.00 C ATOM 643 O SER A 45 -18.368 3.737 -9.766 1.00 0.00 O ATOM 644 CB SER A 45 -16.209 4.654 -12.034 1.00 0.00 C ATOM 645 OG SER A 45 -16.146 3.458 -12.791 1.00 0.00 O ATOM 0 H SER A 45 -14.291 3.532 -10.919 1.00 0.00 H new ATOM 0 HA SER A 45 -16.364 5.281 -9.984 1.00 0.00 H new ATOM 0 HB2 SER A 45 -17.120 5.198 -12.282 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.371 5.299 -12.297 1.00 0.00 H new ATOM 0 HG SER A 45 -16.168 3.674 -13.747 1.00 0.00 H new ATOM 651 N GLU A 46 -16.968 2.073 -10.345 1.00 0.00 N ATOM 652 CA GLU A 46 -17.926 1.015 -10.045 1.00 0.00 C ATOM 653 C GLU A 46 -17.960 0.721 -8.548 1.00 0.00 C ATOM 654 O GLU A 46 -17.906 -0.435 -8.130 1.00 0.00 O ATOM 655 CB GLU A 46 -17.573 -0.258 -10.818 1.00 0.00 C ATOM 656 CG GLU A 46 -18.028 -0.235 -12.267 1.00 0.00 C ATOM 657 CD GLU A 46 -18.034 -1.614 -12.898 1.00 0.00 C ATOM 658 OE1 GLU A 46 -17.317 -2.501 -12.389 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.755 -1.806 -13.900 1.00 0.00 O ATOM 0 H GLU A 46 -16.065 1.741 -10.685 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.914 1.356 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.493 -0.404 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.025 -1.114 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -19.030 0.190 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.371 0.420 -12.840 1.00 0.00 H new ATOM 666 N ALA A 47 -18.048 1.777 -7.745 1.00 0.00 N ATOM 667 CA ALA A 47 -18.091 1.633 -6.296 1.00 0.00 C ATOM 668 C ALA A 47 -18.959 0.448 -5.887 1.00 0.00 C ATOM 669 O ALA A 47 -18.636 -0.274 -4.944 1.00 0.00 O ATOM 670 CB ALA A 47 -18.605 2.913 -5.653 1.00 0.00 C ATOM 0 H ALA A 47 -18.091 2.741 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.076 1.445 -5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.632 2.791 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.943 3.740 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.609 3.126 -6.019 1.00 0.00 H new ATOM 676 N ASN A 48 -20.062 0.254 -6.601 1.00 0.00 N ATOM 677 CA ASN A 48 -20.978 -0.843 -6.311 1.00 0.00 C ATOM 678 C ASN A 48 -21.133 -1.039 -4.806 1.00 0.00 C ATOM 679 O ASN A 48 -21.462 -2.130 -4.342 1.00 0.00 O ATOM 680 CB ASN A 48 -20.476 -2.137 -6.956 1.00 0.00 C ATOM 681 CG ASN A 48 -20.162 -1.965 -8.429 1.00 0.00 C ATOM 682 OD1 ASN A 48 -20.591 -0.998 -9.058 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.409 -2.906 -8.987 1.00 0.00 N ATOM 0 H ASN A 48 -20.344 0.842 -7.385 1.00 0.00 H new ATOM 0 HA ASN A 48 -21.953 -0.590 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -19.581 -2.477 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -21.230 -2.915 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.165 -2.844 -9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.075 -3.691 -8.427 1.00 0.00 H new ATOM 690 N GLY A 49 -20.896 0.028 -4.049 1.00 0.00 N ATOM 691 CA GLY A 49 -21.015 -0.046 -2.604 1.00 0.00 C ATOM 692 C GLY A 49 -20.274 1.075 -1.903 1.00 0.00 C ATOM 693 O GLY A 49 -19.557 1.848 -2.538 1.00 0.00 O ATOM 0 H GLY A 49 -20.624 0.942 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.069 -0.010 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.628 -1.005 -2.259 1.00 0.00 H new ATOM 697 N LYS A 50 -20.449 1.165 -0.589 1.00 0.00 N ATOM 698 CA LYS A 50 -19.792 2.200 0.201 1.00 0.00 C ATOM 699 C LYS A 50 -18.395 1.758 0.624 1.00 0.00 C ATOM 700 O LYS A 50 -18.233 0.736 1.292 1.00 0.00 O ATOM 701 CB LYS A 50 -20.629 2.535 1.438 1.00 0.00 C ATOM 702 CG LYS A 50 -20.352 3.917 2.004 1.00 0.00 C ATOM 703 CD LYS A 50 -21.241 4.970 1.365 1.00 0.00 C ATOM 704 CE LYS A 50 -20.851 6.372 1.807 1.00 0.00 C ATOM 705 NZ LYS A 50 -21.667 7.415 1.126 1.00 0.00 N ATOM 0 H LYS A 50 -21.040 0.534 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.699 3.091 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.686 2.462 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.436 1.790 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -20.514 3.909 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.306 4.175 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.171 4.897 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -22.281 4.780 1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.976 6.460 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.795 6.540 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.371 8.356 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.529 7.347 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.672 7.271 1.350 1.00 0.00 H new ATOM 719 N ILE A 51 -17.390 2.534 0.232 1.00 0.00 N ATOM 720 CA ILE A 51 -16.007 2.222 0.573 1.00 0.00 C ATOM 721 C ILE A 51 -15.763 2.373 2.071 1.00 0.00 C ATOM 722 O ILE A 51 -16.111 3.392 2.669 1.00 0.00 O ATOM 723 CB ILE A 51 -15.022 3.127 -0.190 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.250 3.009 -1.698 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.587 2.764 0.164 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.297 1.580 -2.192 1.00 0.00 C ATOM 0 H ILE A 51 -17.507 3.383 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.836 1.186 0.282 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.199 4.161 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.186 3.505 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.454 3.539 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.902 3.412 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.432 2.894 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.397 1.725 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.461 1.573 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.352 1.086 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -16.111 1.051 -1.697 1.00 0.00 H new ATOM 738 N THR A 52 -15.162 1.352 2.673 1.00 0.00 N ATOM 739 CA THR A 52 -14.870 1.371 4.101 1.00 0.00 C ATOM 740 C THR A 52 -13.381 1.577 4.355 1.00 0.00 C ATOM 741 O THR A 52 -12.992 2.339 5.240 1.00 0.00 O ATOM 742 CB THR A 52 -15.319 0.065 4.783 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.752 -1.062 4.106 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.836 -0.050 4.786 1.00 0.00 C ATOM 0 H THR A 52 -14.868 0.501 2.194 1.00 0.00 H new ATOM 0 HA THR A 52 -15.427 2.205 4.527 1.00 0.00 H new ATOM 0 HB THR A 52 -14.969 0.082 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.041 -1.888 4.547 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.129 -0.980 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.264 0.794 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.203 -0.046 3.760 1.00 0.00 H new ATOM 752 N GLY A 53 -12.551 0.894 3.573 1.00 0.00 N ATOM 753 CA GLY A 53 -11.113 1.017 3.729 1.00 0.00 C ATOM 754 C GLY A 53 -10.353 0.498 2.526 1.00 0.00 C ATOM 755 O GLY A 53 -10.951 0.152 1.506 1.00 0.00 O ATOM 0 H GLY A 53 -12.849 0.257 2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.857 2.064 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.799 0.469 4.617 1.00 0.00 H new ATOM 759 N TYR A 54 -9.030 0.444 2.642 1.00 0.00 N ATOM 760 CA TYR A 54 -8.186 -0.033 1.553 1.00 0.00 C ATOM 761 C TYR A 54 -7.005 -0.835 2.091 1.00 0.00 C ATOM 762 O TYR A 54 -6.621 -0.692 3.252 1.00 0.00 O ATOM 763 CB TYR A 54 -7.680 1.144 0.718 1.00 0.00 C ATOM 764 CG TYR A 54 -8.783 2.048 0.215 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.481 2.877 1.085 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.126 2.074 -1.131 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.489 3.703 0.629 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.133 2.899 -1.596 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.811 3.711 -0.712 1.00 0.00 C ATOM 770 OH TYR A 54 -11.815 4.534 -1.170 1.00 0.00 O ATOM 0 H TYR A 54 -8.520 0.725 3.479 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.787 -0.686 0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.985 1.732 1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.120 0.760 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.231 2.875 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.597 1.439 -1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.023 4.340 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.387 2.907 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.191 5.040 -0.420 1.00 0.00 H new ATOM 780 N ILE A 55 -6.433 -1.678 1.237 1.00 0.00 N ATOM 781 CA ILE A 55 -5.295 -2.501 1.625 1.00 0.00 C ATOM 782 C ILE A 55 -4.180 -2.423 0.587 1.00 0.00 C ATOM 783 O ILE A 55 -4.441 -2.382 -0.616 1.00 0.00 O ATOM 784 CB ILE A 55 -5.703 -3.974 1.813 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.826 -4.087 2.847 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.502 -4.807 2.235 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.748 -5.262 2.611 1.00 0.00 C ATOM 0 H ILE A 55 -6.739 -1.808 0.273 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.932 -2.109 2.575 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.070 -4.358 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.387 -4.174 3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.412 -3.168 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.807 -5.846 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.730 -4.748 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.107 -4.425 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.519 -5.280 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.216 -5.166 1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.175 -6.188 2.650 1.00 0.00 H new ATOM 799 N ILE A 56 -2.939 -2.404 1.059 1.00 0.00 N ATOM 800 CA ILE A 56 -1.785 -2.334 0.172 1.00 0.00 C ATOM 801 C ILE A 56 -0.900 -3.567 0.322 1.00 0.00 C ATOM 802 O ILE A 56 -0.616 -4.008 1.436 1.00 0.00 O ATOM 803 CB ILE A 56 -0.941 -1.074 0.443 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.793 0.184 0.266 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.267 -1.037 -0.480 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.266 1.383 1.024 1.00 0.00 C ATOM 0 H ILE A 56 -2.706 -2.436 2.052 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.173 -2.289 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.585 -1.107 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.847 0.430 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.810 -0.026 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.853 -0.141 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.883 -1.920 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.068 -1.023 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.920 2.238 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.238 1.156 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.260 1.620 0.677 1.00 0.00 H new ATOM 818 N TYR A 57 -0.466 -4.117 -0.806 1.00 0.00 N ATOM 819 CA TYR A 57 0.387 -5.300 -0.801 1.00 0.00 C ATOM 820 C TYR A 57 1.685 -5.039 -1.558 1.00 0.00 C ATOM 821 O TYR A 57 1.671 -4.566 -2.694 1.00 0.00 O ATOM 822 CB TYR A 57 -0.349 -6.488 -1.423 1.00 0.00 C ATOM 823 CG TYR A 57 -1.738 -6.700 -0.865 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.768 -5.813 -1.155 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.021 -7.787 -0.046 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.038 -6.002 -0.646 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.288 -7.985 0.465 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.294 -7.090 0.163 1.00 0.00 C ATOM 829 OH TYR A 57 -5.557 -7.283 0.672 1.00 0.00 O ATOM 0 H TYR A 57 -0.691 -3.763 -1.736 1.00 0.00 H new ATOM 0 HA TYR A 57 0.633 -5.535 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.419 -6.338 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.239 -7.392 -1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.572 -4.961 -1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.236 -8.489 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.826 -5.302 -0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.491 -8.836 1.098 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.568 -8.095 1.221 1.00 0.00 H new ATOM 839 N TYR A 58 2.807 -5.351 -0.919 1.00 0.00 N ATOM 840 CA TYR A 58 4.116 -5.149 -1.529 1.00 0.00 C ATOM 841 C TYR A 58 5.052 -6.309 -1.207 1.00 0.00 C ATOM 842 O TYR A 58 4.776 -7.117 -0.320 1.00 0.00 O ATOM 843 CB TYR A 58 4.730 -3.834 -1.045 1.00 0.00 C ATOM 844 CG TYR A 58 5.117 -3.847 0.416 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.213 -4.577 0.859 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.386 -3.130 1.355 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.570 -4.593 2.193 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.736 -3.139 2.692 1.00 0.00 C ATOM 849 CZ TYR A 58 5.828 -3.872 3.106 1.00 0.00 C ATOM 850 OH TYR A 58 6.181 -3.884 4.436 1.00 0.00 O ATOM 0 H TYR A 58 2.836 -5.745 0.021 1.00 0.00 H new ATOM 0 HA TYR A 58 3.982 -5.104 -2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.613 -3.613 -1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.019 -3.026 -1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.796 -5.142 0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.529 -2.556 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.425 -5.166 2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.157 -2.575 3.409 1.00 0.00 H new ATOM 0 HH TYR A 58 5.557 -3.325 4.945 1.00 0.00 H new ATOM 860 N SER A 59 6.162 -6.385 -1.934 1.00 0.00 N ATOM 861 CA SER A 59 7.140 -7.447 -1.729 1.00 0.00 C ATOM 862 C SER A 59 8.394 -7.200 -2.562 1.00 0.00 C ATOM 863 O SER A 59 8.432 -6.294 -3.395 1.00 0.00 O ATOM 864 CB SER A 59 6.533 -8.804 -2.091 1.00 0.00 C ATOM 865 OG SER A 59 7.328 -9.867 -1.597 1.00 0.00 O ATOM 0 H SER A 59 6.407 -5.723 -2.671 1.00 0.00 H new ATOM 0 HA SER A 59 7.420 -7.451 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.526 -8.877 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.441 -8.887 -3.174 1.00 0.00 H new ATOM 0 HG SER A 59 6.917 -10.723 -1.840 1.00 0.00 H new ATOM 871 N THR A 60 9.421 -8.012 -2.330 1.00 0.00 N ATOM 872 CA THR A 60 10.677 -7.882 -3.056 1.00 0.00 C ATOM 873 C THR A 60 10.661 -8.710 -4.336 1.00 0.00 C ATOM 874 O THR A 60 11.687 -8.868 -4.998 1.00 0.00 O ATOM 875 CB THR A 60 11.874 -8.319 -2.191 1.00 0.00 C ATOM 876 OG1 THR A 60 11.635 -9.622 -1.646 1.00 0.00 O ATOM 877 CG2 THR A 60 12.116 -7.329 -1.062 1.00 0.00 C ATOM 0 H THR A 60 9.407 -8.767 -1.644 1.00 0.00 H new ATOM 0 HA THR A 60 10.787 -6.828 -3.310 1.00 0.00 H new ATOM 0 HB THR A 60 12.760 -8.347 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.401 -9.893 -1.099 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.966 -7.659 -0.465 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.326 -6.345 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.229 -7.273 -0.431 1.00 0.00 H new ATOM 885 N ASP A 61 9.490 -9.236 -4.680 1.00 0.00 N ATOM 886 CA ASP A 61 9.340 -10.047 -5.882 1.00 0.00 C ATOM 887 C ASP A 61 7.938 -9.900 -6.465 1.00 0.00 C ATOM 888 O ASP A 61 6.949 -9.880 -5.733 1.00 0.00 O ATOM 889 CB ASP A 61 9.625 -11.517 -5.571 1.00 0.00 C ATOM 890 CG ASP A 61 11.105 -11.843 -5.618 1.00 0.00 C ATOM 891 OD1 ASP A 61 11.739 -11.567 -6.657 1.00 0.00 O ATOM 892 OD2 ASP A 61 11.628 -12.375 -4.617 1.00 0.00 O ATOM 0 H ASP A 61 8.631 -9.115 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 61 10.060 -9.694 -6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.234 -11.759 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.095 -12.146 -6.286 1.00 0.00 H new ATOM 897 N VAL A 62 7.861 -9.795 -7.788 1.00 0.00 N ATOM 898 CA VAL A 62 6.580 -9.649 -8.470 1.00 0.00 C ATOM 899 C VAL A 62 6.016 -11.007 -8.875 1.00 0.00 C ATOM 900 O VAL A 62 4.825 -11.136 -9.156 1.00 0.00 O ATOM 901 CB VAL A 62 6.709 -8.764 -9.724 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.749 -9.335 -10.676 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.362 -8.621 -10.416 1.00 0.00 C ATOM 0 H VAL A 62 8.670 -9.808 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 62 5.899 -9.171 -7.766 1.00 0.00 H new ATOM 0 HB VAL A 62 7.040 -7.772 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.826 -8.696 -11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.716 -9.380 -10.174 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.451 -10.338 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.472 -7.993 -11.300 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.999 -9.605 -10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.648 -8.163 -9.732 1.00 0.00 H new ATOM 913 N ASN A 63 6.880 -12.016 -8.904 1.00 0.00 N ATOM 914 CA ASN A 63 6.468 -13.365 -9.275 1.00 0.00 C ATOM 915 C ASN A 63 6.203 -14.213 -8.035 1.00 0.00 C ATOM 916 O ASN A 63 6.434 -15.422 -8.037 1.00 0.00 O ATOM 917 CB ASN A 63 7.541 -14.028 -10.141 1.00 0.00 C ATOM 918 CG ASN A 63 7.393 -13.683 -11.611 1.00 0.00 C ATOM 919 OD1 ASN A 63 7.902 -12.519 -11.999 1.00 0.00 O flip ATOM 920 ND2 ASN A 63 6.828 -14.453 -12.387 1.00 0.00 N flip ATOM 0 H ASN A 63 7.870 -11.925 -8.675 1.00 0.00 H new ATOM 0 HA ASN A 63 5.543 -13.292 -9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.527 -13.717 -9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.487 -15.110 -10.017 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.452 -15.337 -12.045 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.736 -14.207 -13.373 1.00 0.00 H new ATOM 927 N ALA A 64 5.717 -13.571 -6.978 1.00 0.00 N ATOM 928 CA ALA A 64 5.419 -14.267 -5.732 1.00 0.00 C ATOM 929 C ALA A 64 3.914 -14.423 -5.538 1.00 0.00 C ATOM 930 O ALA A 64 3.132 -13.588 -5.990 1.00 0.00 O ATOM 931 CB ALA A 64 6.031 -13.525 -4.554 1.00 0.00 C ATOM 0 H ALA A 64 5.521 -12.570 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 64 5.857 -15.263 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.801 -14.056 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.112 -13.470 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.619 -12.517 -4.505 1.00 0.00 H new ATOM 937 N GLU A 65 3.518 -15.497 -4.863 1.00 0.00 N ATOM 938 CA GLU A 65 2.106 -15.762 -4.611 1.00 0.00 C ATOM 939 C GLU A 65 1.486 -14.651 -3.768 1.00 0.00 C ATOM 940 O GLU A 65 2.026 -14.272 -2.728 1.00 0.00 O ATOM 941 CB GLU A 65 1.935 -17.108 -3.904 1.00 0.00 C ATOM 942 CG GLU A 65 1.937 -18.297 -4.851 1.00 0.00 C ATOM 943 CD GLU A 65 3.336 -18.782 -5.176 1.00 0.00 C ATOM 944 OE1 GLU A 65 4.199 -18.747 -4.274 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.568 -19.195 -6.331 1.00 0.00 O ATOM 0 H GLU A 65 4.154 -16.197 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 65 1.592 -15.796 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.738 -17.232 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.998 -17.100 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.368 -19.113 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.428 -18.022 -5.775 1.00 0.00 H new ATOM 952 N ILE A 66 0.351 -14.133 -4.225 1.00 0.00 N ATOM 953 CA ILE A 66 -0.343 -13.066 -3.514 1.00 0.00 C ATOM 954 C ILE A 66 -0.185 -13.219 -2.005 1.00 0.00 C ATOM 955 O ILE A 66 -0.049 -12.232 -1.281 1.00 0.00 O ATOM 956 CB ILE A 66 -1.842 -13.040 -3.862 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.455 -11.692 -3.474 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.569 -14.179 -3.163 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.838 -10.517 -4.200 1.00 0.00 C ATOM 0 H ILE A 66 -0.108 -14.435 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 66 0.111 -12.127 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.952 -13.172 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.525 -11.715 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.341 -11.546 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.628 -14.146 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.147 -15.131 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.454 -14.076 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.321 -9.595 -3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.773 -10.468 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.975 -10.640 -5.274 1.00 0.00 H new ATOM 971 N HIS A 67 -0.204 -14.463 -1.536 1.00 0.00 N ATOM 972 CA HIS A 67 -0.061 -14.746 -0.112 1.00 0.00 C ATOM 973 C HIS A 67 1.274 -14.225 0.414 1.00 0.00 C ATOM 974 O HIS A 67 1.328 -13.564 1.451 1.00 0.00 O ATOM 975 CB HIS A 67 -0.172 -16.249 0.144 1.00 0.00 C ATOM 976 CG HIS A 67 1.133 -16.975 0.029 1.00 0.00 C ATOM 977 ND1 HIS A 67 2.249 -16.916 0.793 1.00 0.00 N flip ATOM 978 CD2 HIS A 67 1.402 -17.887 -0.969 1.00 0.00 C flip ATOM 979 CE1 HIS A 67 3.161 -17.787 0.249 1.00 0.00 C flip ATOM 980 NE2 HIS A 67 2.625 -18.360 -0.813 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.317 -15.291 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.865 -14.235 0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.581 -16.410 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.881 -16.678 -0.564 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.719 -18.171 -1.756 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.155 -17.973 0.628 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.079 -19.051 -1.411 1.00 0.00 H new ATOM 989 N ASP A 68 2.347 -14.529 -0.308 1.00 0.00 N ATOM 990 CA ASP A 68 3.681 -14.091 0.086 1.00 0.00 C ATOM 991 C ASP A 68 3.707 -12.588 0.343 1.00 0.00 C ATOM 992 O ASP A 68 4.421 -12.111 1.225 1.00 0.00 O ATOM 993 CB ASP A 68 4.700 -14.453 -0.996 1.00 0.00 C ATOM 994 CG ASP A 68 6.131 -14.322 -0.512 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.494 -13.231 -0.025 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.887 -15.310 -0.620 1.00 0.00 O ATOM 0 H ASP A 68 2.319 -15.076 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 68 3.946 -14.604 1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.524 -15.476 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.552 -13.807 -1.861 1.00 0.00 H new ATOM 1001 N TRP A 69 2.924 -11.847 -0.433 1.00 0.00 N ATOM 1002 CA TRP A 69 2.857 -10.397 -0.290 1.00 0.00 C ATOM 1003 C TRP A 69 2.354 -10.009 1.096 1.00 0.00 C ATOM 1004 O TRP A 69 1.531 -10.710 1.686 1.00 0.00 O ATOM 1005 CB TRP A 69 1.946 -9.799 -1.363 1.00 0.00 C ATOM 1006 CG TRP A 69 2.473 -9.976 -2.755 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.614 -11.151 -3.436 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.931 -8.943 -3.636 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.132 -10.912 -4.686 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.334 -9.565 -4.833 1.00 0.00 C ATOM 1011 CE3 TRP A 69 3.037 -7.554 -3.529 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.836 -8.845 -5.914 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.536 -6.840 -4.603 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.929 -7.486 -5.782 1.00 0.00 C ATOM 0 H TRP A 69 2.327 -12.226 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 69 3.864 -9.998 -0.415 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.962 -10.262 -1.293 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.813 -8.735 -1.165 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.356 -12.126 -3.049 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.333 -11.622 -5.390 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.735 -7.047 -2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.141 -9.341 -6.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.624 -5.766 -4.531 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.313 -6.900 -6.604 1.00 0.00 H new ATOM 1025 N VAL A 70 2.851 -8.889 1.610 1.00 0.00 N ATOM 1026 CA VAL A 70 2.450 -8.408 2.926 1.00 0.00 C ATOM 1027 C VAL A 70 1.121 -7.664 2.858 1.00 0.00 C ATOM 1028 O VAL A 70 0.784 -7.068 1.835 1.00 0.00 O ATOM 1029 CB VAL A 70 3.516 -7.476 3.532 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.603 -6.179 2.744 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.212 -7.200 4.997 1.00 0.00 C ATOM 0 H VAL A 70 3.533 -8.297 1.135 1.00 0.00 H new ATOM 0 HA VAL A 70 2.340 -9.285 3.563 1.00 0.00 H new ATOM 0 HB VAL A 70 4.484 -7.974 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.361 -5.534 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.872 -6.398 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.638 -5.673 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.975 -6.540 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.236 -6.723 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.207 -8.139 5.551 1.00 0.00 H new ATOM 1041 N ILE A 71 0.370 -7.703 3.953 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.922 -7.031 4.018 1.00 0.00 C ATOM 1043 C ILE A 71 -0.832 -5.744 4.831 1.00 0.00 C ATOM 1044 O ILE A 71 -0.584 -5.776 6.035 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.999 -7.942 4.637 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.125 -9.238 3.834 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.335 -7.216 4.695 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -3.004 -10.276 4.496 1.00 0.00 C ATOM 0 H ILE A 71 0.634 -8.193 4.808 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.205 -6.791 2.993 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.700 -8.195 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.529 -9.007 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.131 -9.659 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.087 -7.872 5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.235 -6.318 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.642 -6.937 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.048 -11.168 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.590 -10.536 5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.009 -9.873 4.624 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.037 -4.613 4.162 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.979 -3.315 4.824 1.00 0.00 C ATOM 1062 C GLU A 72 -2.357 -2.659 4.853 1.00 0.00 C ATOM 1063 O GLU A 72 -2.719 -1.878 3.973 1.00 0.00 O ATOM 1064 CB GLU A 72 0.019 -2.399 4.113 1.00 0.00 C ATOM 1065 CG GLU A 72 1.443 -2.537 4.625 1.00 0.00 C ATOM 1066 CD GLU A 72 1.863 -3.984 4.797 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.600 -4.792 3.882 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.457 -4.308 5.847 1.00 0.00 O ATOM 0 H GLU A 72 -1.244 -4.570 3.164 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.648 -3.473 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.003 -2.617 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.302 -1.364 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.124 -2.045 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.533 -2.020 5.580 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.143 -2.982 5.891 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.493 -2.435 6.061 1.00 0.00 C ATOM 1077 C PRO A 73 -4.477 -0.950 6.409 1.00 0.00 C ATOM 1078 O PRO A 73 -3.715 -0.512 7.270 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.062 -3.251 7.224 1.00 0.00 C ATOM 1080 CG PRO A 73 -3.867 -3.700 7.992 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.776 -3.905 6.977 1.00 0.00 C ATOM 0 HA PRO A 73 -5.080 -2.506 5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.727 -2.648 7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.644 -4.100 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.576 -2.955 8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.075 -4.623 8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.795 -3.671 7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.738 -4.938 6.631 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.325 -0.180 5.734 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.409 1.256 5.973 1.00 0.00 C ATOM 1091 C VAL A 74 -6.720 1.622 6.659 1.00 0.00 C ATOM 1092 O VAL A 74 -7.755 1.769 6.008 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.291 2.051 4.659 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.221 3.544 4.943 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.075 1.593 3.867 1.00 0.00 C ATOM 0 H VAL A 74 -5.963 -0.527 5.018 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.575 1.519 6.624 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.180 1.861 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.138 4.090 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.124 3.858 5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.350 3.756 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.007 2.165 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.174 1.752 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.172 0.533 3.632 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.670 1.769 7.980 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.853 2.120 8.756 1.00 0.00 C ATOM 1107 C VAL A 75 -8.511 3.384 8.214 1.00 0.00 C ATOM 1108 O VAL A 75 -7.859 4.213 7.580 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.507 2.331 10.242 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.888 1.072 10.830 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.574 3.521 10.407 1.00 0.00 C ATOM 0 H VAL A 75 -5.822 1.650 8.535 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.549 1.286 8.668 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.428 2.542 10.786 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.650 1.240 11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.594 0.246 10.745 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.976 0.827 10.286 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.340 3.656 11.463 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.654 3.342 9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.059 4.419 10.025 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.808 3.525 8.467 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.533 4.691 7.998 1.00 0.00 C ATOM 1123 C GLY A 76 -10.510 4.819 6.488 1.00 0.00 C ATOM 1124 O GLY A 76 -9.714 4.166 5.815 1.00 0.00 O ATOM 0 H GLY A 76 -10.370 2.852 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.567 4.634 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.100 5.587 8.442 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.388 5.662 5.953 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.466 5.872 4.512 1.00 0.00 C ATOM 1130 C ASN A 77 -10.283 6.698 4.017 1.00 0.00 C ATOM 1131 O ASN A 77 -10.431 7.872 3.680 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.778 6.570 4.148 1.00 0.00 C ATOM 1133 CG ASN A 77 -13.155 7.648 5.146 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -14.378 7.578 5.659 1.00 0.00 O flip ATOM 1135 ND2 ASN A 77 -12.356 8.533 5.453 1.00 0.00 N flip ATOM 0 H ASN A 77 -12.055 6.210 6.496 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.433 4.897 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.688 7.012 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.577 5.831 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.426 8.548 5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.624 9.251 6.126 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.110 6.075 3.977 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.900 6.753 3.524 1.00 0.00 C ATOM 1144 C ARG A 78 -7.467 6.234 2.156 1.00 0.00 C ATOM 1145 O ARG A 78 -7.508 5.031 1.894 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.771 6.557 4.537 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.740 7.674 4.523 1.00 0.00 C ATOM 1148 CD ARG A 78 -6.103 8.778 5.504 1.00 0.00 C ATOM 1149 NE ARG A 78 -5.024 9.751 5.657 1.00 0.00 N ATOM 1150 CZ ARG A 78 -3.975 9.566 6.450 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -3.864 8.450 7.159 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -3.034 10.497 6.536 1.00 0.00 N ATOM 0 H ARG A 78 -8.971 5.103 4.252 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.120 7.817 3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.200 6.482 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.271 5.610 4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.760 7.269 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.665 8.089 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.004 9.287 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.335 8.339 6.474 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.079 10.620 5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.585 7.732 7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.057 8.310 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.116 11.356 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.229 10.354 7.146 1.00 0.00 H new ATOM 1166 N LEU A 79 -7.053 7.149 1.286 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.612 6.785 -0.056 1.00 0.00 C ATOM 1168 C LEU A 79 -5.098 6.915 -0.186 1.00 0.00 C ATOM 1169 O LEU A 79 -4.532 6.676 -1.253 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.302 7.668 -1.097 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.809 7.861 -0.922 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.264 9.149 -1.592 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.568 6.668 -1.484 1.00 0.00 C ATOM 0 H LEU A 79 -7.014 8.148 1.486 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.885 5.744 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.827 8.649 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.123 7.240 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.025 7.934 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.339 9.269 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.745 9.996 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.035 9.106 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.639 6.822 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.346 6.563 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.264 5.763 -0.958 1.00 0.00 H new ATOM 1185 N THR A 80 -4.446 7.292 0.910 1.00 0.00 N ATOM 1186 CA THR A 80 -2.997 7.451 0.919 1.00 0.00 C ATOM 1187 C THR A 80 -2.366 6.676 2.070 1.00 0.00 C ATOM 1188 O THR A 80 -2.978 6.501 3.124 1.00 0.00 O ATOM 1189 CB THR A 80 -2.596 8.934 1.034 1.00 0.00 C ATOM 1190 OG1 THR A 80 -1.171 9.052 1.117 1.00 0.00 O ATOM 1191 CG2 THR A 80 -3.235 9.575 2.257 1.00 0.00 C ATOM 0 H THR A 80 -4.898 7.493 1.802 1.00 0.00 H new ATOM 0 HA THR A 80 -2.630 7.054 -0.027 1.00 0.00 H new ATOM 0 HB THR A 80 -2.952 9.453 0.144 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.889 8.964 2.052 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.937 10.622 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.320 9.511 2.176 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.906 9.052 3.155 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.137 6.213 1.862 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.422 5.456 2.884 1.00 0.00 C ATOM 1201 C HIS A 81 1.046 5.866 2.935 1.00 0.00 C ATOM 1202 O HIS A 81 1.632 6.237 1.918 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.536 3.956 2.610 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.121 3.103 3.769 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.526 3.344 5.065 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.668 2.004 3.822 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.004 2.432 5.864 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.724 1.606 5.135 1.00 0.00 N ATOM 0 H HIS A 81 -0.616 6.349 0.996 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.876 5.677 3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.567 3.720 2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.079 3.705 1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.161 1.529 2.987 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.148 2.372 6.933 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.243 0.803 5.490 1.00 0.00 H new ATOM 1217 N GLN A 82 1.633 5.798 4.126 1.00 0.00 N ATOM 1218 CA GLN A 82 3.033 6.164 4.309 1.00 0.00 C ATOM 1219 C GLN A 82 3.806 5.037 4.984 1.00 0.00 C ATOM 1220 O GLN A 82 3.639 4.784 6.177 1.00 0.00 O ATOM 1221 CB GLN A 82 3.142 7.443 5.141 1.00 0.00 C ATOM 1222 CG GLN A 82 2.512 8.657 4.477 1.00 0.00 C ATOM 1223 CD GLN A 82 1.023 8.758 4.741 1.00 0.00 C ATOM 1224 OE1 GLN A 82 0.239 8.865 3.674 1.00 0.00 O flip ATOM 1225 NE2 GLN A 82 0.581 8.741 5.890 1.00 0.00 N flip ATOM 0 H GLN A 82 1.161 5.493 4.978 1.00 0.00 H new ATOM 0 HA GLN A 82 3.469 6.340 3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.665 7.280 6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.194 7.651 5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.004 9.560 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.684 8.609 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.220 8.657 6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.424 8.811 6.051 1.00 0.00 H new ATOM 1234 N ILE A 83 4.653 4.363 4.213 1.00 0.00 N ATOM 1235 CA ILE A 83 5.453 3.263 4.737 1.00 0.00 C ATOM 1236 C ILE A 83 6.900 3.690 4.953 1.00 0.00 C ATOM 1237 O ILE A 83 7.469 4.422 4.144 1.00 0.00 O ATOM 1238 CB ILE A 83 5.424 2.046 3.793 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.984 1.576 3.574 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.275 0.918 4.356 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.841 0.568 2.456 1.00 0.00 C ATOM 0 H ILE A 83 4.803 4.560 3.223 1.00 0.00 H new ATOM 0 HA ILE A 83 5.013 2.981 5.694 1.00 0.00 H new ATOM 0 HB ILE A 83 5.840 2.343 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.609 1.137 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.357 2.441 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.244 0.065 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.305 1.258 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.887 0.621 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.794 0.280 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.185 1.010 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.440 -0.314 2.682 1.00 0.00 H new ATOM 1253 N GLN A 84 7.491 3.225 6.050 1.00 0.00 N ATOM 1254 CA GLN A 84 8.873 3.559 6.372 1.00 0.00 C ATOM 1255 C GLN A 84 9.682 2.301 6.671 1.00 0.00 C ATOM 1256 O GLN A 84 9.153 1.190 6.634 1.00 0.00 O ATOM 1257 CB GLN A 84 8.925 4.509 7.570 1.00 0.00 C ATOM 1258 CG GLN A 84 7.969 5.685 7.455 1.00 0.00 C ATOM 1259 CD GLN A 84 8.243 6.763 8.486 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.363 7.263 8.595 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.220 7.127 9.249 1.00 0.00 N ATOM 0 H GLN A 84 7.034 2.617 6.730 1.00 0.00 H new ATOM 0 HA GLN A 84 9.311 4.054 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.693 3.950 8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.941 4.887 7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.046 6.115 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.945 5.329 7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.309 6.686 9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.345 7.848 9.960 1.00 0.00 H new ATOM 1270 N GLU A 85 10.965 2.483 6.966 1.00 0.00 N ATOM 1271 CA GLU A 85 11.845 1.362 7.269 1.00 0.00 C ATOM 1272 C GLU A 85 11.976 0.431 6.067 1.00 0.00 C ATOM 1273 O GLU A 85 12.124 -0.782 6.219 1.00 0.00 O ATOM 1274 CB GLU A 85 11.318 0.582 8.476 1.00 0.00 C ATOM 1275 CG GLU A 85 11.433 1.340 9.788 1.00 0.00 C ATOM 1276 CD GLU A 85 12.809 1.217 10.414 1.00 0.00 C ATOM 1277 OE1 GLU A 85 13.357 0.095 10.427 1.00 0.00 O ATOM 1278 OE2 GLU A 85 13.337 2.243 10.890 1.00 0.00 O ATOM 0 H GLU A 85 11.418 3.396 7.001 1.00 0.00 H new ATOM 0 HA GLU A 85 12.831 1.762 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.272 0.326 8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.866 -0.356 8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.209 2.393 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.685 0.965 10.487 1.00 0.00 H new ATOM 1285 N LEU A 86 11.920 1.009 4.871 1.00 0.00 N ATOM 1286 CA LEU A 86 12.032 0.233 3.641 1.00 0.00 C ATOM 1287 C LEU A 86 13.485 0.139 3.186 1.00 0.00 C ATOM 1288 O LEU A 86 14.377 0.730 3.795 1.00 0.00 O ATOM 1289 CB LEU A 86 11.179 0.863 2.538 1.00 0.00 C ATOM 1290 CG LEU A 86 9.704 0.462 2.519 1.00 0.00 C ATOM 1291 CD1 LEU A 86 8.926 1.338 1.550 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.554 -1.007 2.152 1.00 0.00 C ATOM 0 H LEU A 86 11.798 2.011 4.728 1.00 0.00 H new ATOM 0 HA LEU A 86 11.668 -0.775 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.239 1.947 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.618 0.604 1.574 1.00 0.00 H new ATOM 0 HG LEU A 86 9.295 0.609 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.878 1.038 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.005 2.381 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.336 1.224 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.497 -1.274 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.980 -1.180 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.077 -1.621 2.885 1.00 0.00 H new ATOM 1304 N THR A 87 13.716 -0.605 2.109 1.00 0.00 N ATOM 1305 CA THR A 87 15.059 -0.775 1.571 1.00 0.00 C ATOM 1306 C THR A 87 15.323 0.201 0.431 1.00 0.00 C ATOM 1307 O THR A 87 14.398 0.826 -0.092 1.00 0.00 O ATOM 1308 CB THR A 87 15.284 -2.212 1.063 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.504 -3.132 1.836 1.00 0.00 O ATOM 1310 CG2 THR A 87 16.754 -2.592 1.146 1.00 0.00 C ATOM 0 H THR A 87 12.989 -1.100 1.592 1.00 0.00 H new ATOM 0 HA THR A 87 15.753 -0.573 2.387 1.00 0.00 H new ATOM 0 HB THR A 87 14.972 -2.258 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.881 -4.032 1.751 1.00 0.00 H new ATOM 0 HG21 THR A 87 16.888 -3.611 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.342 -1.908 0.534 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.088 -2.530 2.182 1.00 0.00 H new ATOM 1318 N LEU A 88 16.588 0.329 0.048 1.00 0.00 N ATOM 1319 CA LEU A 88 16.973 1.231 -1.032 1.00 0.00 C ATOM 1320 C LEU A 88 17.597 0.458 -2.190 1.00 0.00 C ATOM 1321 O LEU A 88 17.874 -0.737 -2.075 1.00 0.00 O ATOM 1322 CB LEU A 88 17.957 2.284 -0.519 1.00 0.00 C ATOM 1323 CG LEU A 88 17.611 2.925 0.826 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.875 3.368 1.546 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.667 4.102 0.628 1.00 0.00 C ATOM 0 H LEU A 88 17.365 -0.180 0.469 1.00 0.00 H new ATOM 0 HA LEU A 88 16.073 1.729 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.942 1.823 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.036 3.074 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 88 17.107 2.181 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.610 3.822 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.516 2.504 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.406 4.096 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.431 4.546 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.144 4.848 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.748 3.756 0.154 1.00 0.00 H new ATOM 1337 N ASP A 89 17.818 1.147 -3.304 1.00 0.00 N ATOM 1338 CA ASP A 89 18.413 0.526 -4.482 1.00 0.00 C ATOM 1339 C ASP A 89 17.773 -0.829 -4.763 1.00 0.00 C ATOM 1340 O ASP A 89 18.430 -1.750 -5.250 1.00 0.00 O ATOM 1341 CB ASP A 89 19.922 0.362 -4.291 1.00 0.00 C ATOM 1342 CG ASP A 89 20.658 0.204 -5.607 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.825 1.217 -6.319 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.067 -0.932 -5.925 1.00 0.00 O ATOM 0 H ASP A 89 17.594 2.136 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 89 18.232 1.177 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.315 1.229 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.113 -0.509 -3.664 1.00 0.00 H new ATOM 1349 N THR A 90 16.486 -0.946 -4.453 1.00 0.00 N ATOM 1350 CA THR A 90 15.757 -2.190 -4.670 1.00 0.00 C ATOM 1351 C THR A 90 14.366 -1.921 -5.232 1.00 0.00 C ATOM 1352 O THR A 90 13.591 -1.135 -4.687 1.00 0.00 O ATOM 1353 CB THR A 90 15.624 -2.998 -3.366 1.00 0.00 C ATOM 1354 OG1 THR A 90 16.922 -3.326 -2.858 1.00 0.00 O ATOM 1355 CG2 THR A 90 14.827 -4.273 -3.598 1.00 0.00 C ATOM 0 H THR A 90 15.926 -0.194 -4.051 1.00 0.00 H new ATOM 0 HA THR A 90 16.331 -2.771 -5.392 1.00 0.00 H new ATOM 0 HB THR A 90 15.094 -2.385 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.369 -2.510 -2.550 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.746 -4.827 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.829 -4.018 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.333 -4.888 -4.342 1.00 0.00 H new ATOM 1363 N PRO A 91 14.039 -2.587 -6.349 1.00 0.00 N ATOM 1364 CA PRO A 91 12.738 -2.437 -7.009 1.00 0.00 C ATOM 1365 C PRO A 91 11.602 -3.046 -6.195 1.00 0.00 C ATOM 1366 O PRO A 91 11.424 -4.265 -6.175 1.00 0.00 O ATOM 1367 CB PRO A 91 12.919 -3.195 -8.326 1.00 0.00 C ATOM 1368 CG PRO A 91 13.990 -4.192 -8.046 1.00 0.00 C ATOM 1369 CD PRO A 91 14.913 -3.540 -7.054 1.00 0.00 C ATOM 0 HA PRO A 91 12.465 -1.390 -7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.994 -3.683 -8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.206 -2.522 -9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.570 -5.113 -7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.523 -4.459 -8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.347 -4.269 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.742 -3.034 -7.549 1.00 0.00 H new ATOM 1377 N TYR A 92 10.835 -2.192 -5.527 1.00 0.00 N ATOM 1378 CA TYR A 92 9.716 -2.647 -4.710 1.00 0.00 C ATOM 1379 C TYR A 92 8.391 -2.433 -5.434 1.00 0.00 C ATOM 1380 O TYR A 92 8.097 -1.334 -5.904 1.00 0.00 O ATOM 1381 CB TYR A 92 9.703 -1.909 -3.370 1.00 0.00 C ATOM 1382 CG TYR A 92 10.498 -2.605 -2.288 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.885 -2.527 -2.258 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.862 -3.339 -1.294 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.615 -3.161 -1.272 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.584 -3.976 -0.303 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.960 -3.884 -0.297 1.00 0.00 C ATOM 1388 OH TYR A 92 12.683 -4.517 0.688 1.00 0.00 O ATOM 0 H TYR A 92 10.967 -1.181 -5.535 1.00 0.00 H new ATOM 0 HA TYR A 92 9.842 -3.714 -4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.102 -0.905 -3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.671 -1.797 -3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.401 -1.961 -3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.785 -3.413 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.693 -3.091 -1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.074 -4.542 0.462 1.00 0.00 H new ATOM 0 HH TYR A 92 13.043 -3.850 1.309 1.00 0.00 H new ATOM 1398 N TYR A 93 7.594 -3.492 -5.519 1.00 0.00 N ATOM 1399 CA TYR A 93 6.299 -3.423 -6.187 1.00 0.00 C ATOM 1400 C TYR A 93 5.171 -3.257 -5.173 1.00 0.00 C ATOM 1401 O TYR A 93 5.139 -3.934 -4.146 1.00 0.00 O ATOM 1402 CB TYR A 93 6.066 -4.682 -7.024 1.00 0.00 C ATOM 1403 CG TYR A 93 7.307 -5.179 -7.730 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.241 -5.964 -7.066 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.546 -4.863 -9.062 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.377 -6.419 -7.707 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.679 -5.315 -9.711 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.591 -6.092 -9.029 1.00 0.00 C ATOM 1409 OH TYR A 93 10.721 -6.545 -9.672 1.00 0.00 O ATOM 0 H TYR A 93 7.821 -4.409 -5.134 1.00 0.00 H new ATOM 0 HA TYR A 93 6.303 -2.553 -6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.685 -5.472 -6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.294 -4.477 -7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.076 -6.223 -6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.834 -4.254 -9.599 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.094 -7.028 -7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.849 -5.061 -10.747 1.00 0.00 H new ATOM 0 HH TYR A 93 10.720 -6.227 -10.599 1.00 0.00 H new ATOM 1419 N PHE A 94 4.246 -2.350 -5.471 1.00 0.00 N ATOM 1420 CA PHE A 94 3.116 -2.093 -4.587 1.00 0.00 C ATOM 1421 C PHE A 94 1.794 -2.297 -5.321 1.00 0.00 C ATOM 1422 O PHE A 94 1.690 -2.039 -6.520 1.00 0.00 O ATOM 1423 CB PHE A 94 3.189 -0.669 -4.031 1.00 0.00 C ATOM 1424 CG PHE A 94 4.546 -0.302 -3.500 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.526 0.190 -4.347 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.841 -0.449 -2.154 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.775 0.529 -3.862 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.088 -0.111 -1.664 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.056 0.377 -2.518 1.00 0.00 C ATOM 0 H PHE A 94 4.257 -1.781 -6.318 1.00 0.00 H new ATOM 0 HA PHE A 94 3.166 -2.801 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.913 0.034 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.454 -0.561 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.311 0.310 -5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.088 -0.832 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.530 0.912 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.305 -0.229 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 94 8.032 0.640 -2.136 1.00 0.00 H new ATOM 1439 N LYS A 95 0.785 -2.762 -4.592 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.532 -3.000 -5.171 1.00 0.00 C ATOM 1441 C LYS A 95 -1.633 -2.491 -4.247 1.00 0.00 C ATOM 1442 O LYS A 95 -1.664 -2.823 -3.062 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.729 -4.493 -5.443 1.00 0.00 C ATOM 1444 CG LYS A 95 0.552 -5.218 -5.817 1.00 0.00 C ATOM 1445 CD LYS A 95 0.383 -6.726 -5.739 1.00 0.00 C ATOM 1446 CE LYS A 95 -0.104 -7.302 -7.060 1.00 0.00 C ATOM 1447 NZ LYS A 95 -1.591 -7.336 -7.135 1.00 0.00 N ATOM 0 H LYS A 95 0.854 -2.982 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.592 -2.454 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.156 -4.962 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.453 -4.614 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.849 -4.936 -6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.356 -4.906 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.333 -7.186 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.327 -6.973 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.288 -6.705 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.289 -8.311 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.887 -8.055 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.980 -7.572 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.945 -6.404 -7.432 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.536 -1.686 -4.797 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.640 -1.134 -4.022 1.00 0.00 C ATOM 1463 C ILE A 96 -4.910 -1.955 -4.213 1.00 0.00 C ATOM 1464 O ILE A 96 -5.090 -2.607 -5.241 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.924 0.329 -4.410 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.672 1.185 -4.210 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.084 0.878 -3.593 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.587 2.362 -5.157 1.00 0.00 C ATOM 0 H ILE A 96 -2.525 -1.402 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.340 -1.172 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.199 0.363 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.653 1.552 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.789 0.559 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.273 1.913 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.976 0.281 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.835 0.834 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.674 2.924 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.574 2.001 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.451 3.010 -5.011 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.789 -1.916 -3.217 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.044 -2.656 -3.277 1.00 0.00 C ATOM 1482 C GLN A 97 -8.121 -1.970 -2.442 1.00 0.00 C ATOM 1483 O GLN A 97 -7.860 -1.516 -1.328 1.00 0.00 O ATOM 1484 CB GLN A 97 -6.839 -4.090 -2.787 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.135 -4.864 -2.608 1.00 0.00 C ATOM 1486 CD GLN A 97 -7.918 -6.363 -2.560 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -7.508 -6.975 -3.546 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.193 -6.965 -1.408 1.00 0.00 N ATOM 0 H GLN A 97 -5.655 -1.380 -2.359 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.374 -2.678 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.204 -4.620 -3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.305 -4.067 -1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.622 -4.542 -1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.813 -4.625 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.531 -6.419 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.066 -7.973 -1.316 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.331 -1.900 -2.987 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.447 -1.272 -2.292 1.00 0.00 C ATOM 1499 C ALA A 98 -11.354 -2.317 -1.653 1.00 0.00 C ATOM 1500 O ALA A 98 -11.471 -3.438 -2.149 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.240 -0.396 -3.250 1.00 0.00 C ATOM 0 H ALA A 98 -9.563 -2.271 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.042 -0.646 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.071 0.067 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.591 0.381 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.627 -1.007 -4.066 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.995 -1.944 -0.550 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.890 -2.851 0.158 1.00 0.00 C ATOM 1509 C ARG A 99 -14.057 -2.088 0.779 1.00 0.00 C ATOM 1510 O ARG A 99 -13.879 -1.002 1.328 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.128 -3.611 1.244 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.982 -3.976 2.447 1.00 0.00 C ATOM 1513 CD ARG A 99 -12.153 -4.627 3.543 1.00 0.00 C ATOM 1514 NE ARG A 99 -11.514 -3.638 4.406 1.00 0.00 N ATOM 1515 CZ ARG A 99 -10.444 -3.894 5.150 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -9.896 -5.102 5.136 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -9.919 -2.942 5.910 1.00 0.00 N ATOM 0 H ARG A 99 -11.911 -1.019 -0.127 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.287 -3.565 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.713 -4.523 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.286 -3.004 1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.464 -3.080 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.776 -4.656 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.791 -5.274 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.390 -5.262 3.092 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.911 -2.699 4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.296 -5.837 4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.074 -5.296 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.337 -2.012 5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.097 -3.140 6.481 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.251 -2.665 0.687 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.447 -2.039 1.239 1.00 0.00 C ATOM 1533 C ASN A 100 -17.074 -2.920 2.316 1.00 0.00 C ATOM 1534 O ASN A 100 -16.550 -3.984 2.645 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.465 -1.769 0.129 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.827 -3.024 -0.641 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.456 -4.132 -0.254 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.554 -2.854 -1.739 1.00 0.00 N ATOM 0 H ASN A 100 -15.416 -3.565 0.236 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.155 -1.092 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.368 -1.340 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.060 -1.028 -0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.827 -3.661 -2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.839 -1.916 -2.022 1.00 0.00 H new ATOM 1545 N SER A 101 -18.199 -2.468 2.861 1.00 0.00 N ATOM 1546 CA SER A 101 -18.896 -3.213 3.903 1.00 0.00 C ATOM 1547 C SER A 101 -18.946 -4.700 3.567 1.00 0.00 C ATOM 1548 O SER A 101 -18.924 -5.551 4.456 1.00 0.00 O ATOM 1549 CB SER A 101 -20.315 -2.671 4.083 1.00 0.00 C ATOM 1550 OG SER A 101 -20.295 -1.315 4.496 1.00 0.00 O ATOM 0 H SER A 101 -18.647 -1.590 2.598 1.00 0.00 H new ATOM 0 HA SER A 101 -18.345 -3.088 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.863 -2.761 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.846 -3.272 4.822 1.00 0.00 H new ATOM 0 HG SER A 101 -21.214 -0.992 4.602 1.00 0.00 H new ATOM 1556 N LYS A 102 -19.014 -5.006 2.276 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.067 -6.390 1.819 1.00 0.00 C ATOM 1558 C LYS A 102 -17.700 -7.056 1.944 1.00 0.00 C ATOM 1559 O LYS A 102 -17.496 -7.922 2.795 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.544 -6.452 0.367 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.050 -6.322 0.216 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.767 -7.578 0.680 1.00 0.00 C ATOM 1563 CE LYS A 102 -21.876 -8.604 -0.438 1.00 0.00 C ATOM 1564 NZ LYS A 102 -20.638 -9.423 -0.561 1.00 0.00 N ATOM 0 H LYS A 102 -19.034 -4.314 1.527 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.774 -6.928 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.060 -5.657 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.223 -7.397 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.402 -5.467 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.296 -6.126 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.231 -8.013 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -22.764 -7.319 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -22.727 -9.258 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -22.069 -8.094 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.889 -10.390 -0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.010 -8.999 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.149 -9.453 0.357 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.766 -6.645 1.092 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.430 -7.212 1.125 1.00 0.00 C ATOM 1580 C GLY A 103 -14.444 -6.422 0.288 1.00 0.00 C ATOM 1581 O GLY A 103 -14.620 -5.223 0.078 1.00 0.00 O ATOM 0 H GLY A 103 -16.910 -5.930 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.079 -7.248 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.466 -8.240 0.765 1.00 0.00 H new ATOM 1585 N MET A 104 -13.403 -7.096 -0.189 1.00 0.00 N ATOM 1586 CA MET A 104 -12.385 -6.449 -1.008 1.00 0.00 C ATOM 1587 C MET A 104 -12.475 -6.914 -2.458 1.00 0.00 C ATOM 1588 O MET A 104 -13.059 -7.957 -2.750 1.00 0.00 O ATOM 1589 CB MET A 104 -10.990 -6.742 -0.452 1.00 0.00 C ATOM 1590 CG MET A 104 -10.974 -6.990 1.048 1.00 0.00 C ATOM 1591 SD MET A 104 -11.223 -8.726 1.468 1.00 0.00 S ATOM 1592 CE MET A 104 -9.534 -9.252 1.751 1.00 0.00 C ATOM 0 H MET A 104 -13.242 -8.089 -0.023 1.00 0.00 H new ATOM 0 HA MET A 104 -12.562 -5.374 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.581 -7.615 -0.961 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.333 -5.903 -0.680 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.021 -6.654 1.458 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.753 -6.391 1.520 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.522 -10.308 2.021 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.950 -9.103 0.843 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.101 -8.666 2.561 1.00 0.00 H new ATOM 1602 N GLY A 105 -11.893 -6.134 -3.363 1.00 0.00 N ATOM 1603 CA GLY A 105 -11.920 -6.483 -4.771 1.00 0.00 C ATOM 1604 C GLY A 105 -10.565 -6.927 -5.285 1.00 0.00 C ATOM 1605 O GLY A 105 -9.680 -7.305 -4.517 1.00 0.00 O ATOM 0 H GLY A 105 -11.403 -5.266 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.645 -7.281 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.260 -5.624 -5.349 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.389 -6.885 -6.614 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.134 -7.284 -7.259 1.00 0.00 C ATOM 1611 C PRO A 106 -8.001 -6.302 -6.980 1.00 0.00 C ATOM 1612 O PRO A 106 -8.213 -5.091 -6.940 1.00 0.00 O ATOM 1613 CB PRO A 106 -9.486 -7.285 -8.749 1.00 0.00 C ATOM 1614 CG PRO A 106 -10.622 -6.328 -8.870 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.400 -6.445 -7.589 1.00 0.00 C ATOM 0 HA PRO A 106 -8.774 -8.245 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.637 -6.971 -9.357 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.770 -8.281 -9.088 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.261 -5.310 -9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.247 -6.571 -9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.847 -5.493 -7.302 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.213 -7.165 -7.677 1.00 0.00 H new ATOM 1623 N MET A 107 -6.798 -6.834 -6.787 1.00 0.00 N ATOM 1624 CA MET A 107 -5.632 -6.003 -6.513 1.00 0.00 C ATOM 1625 C MET A 107 -5.159 -5.295 -7.778 1.00 0.00 C ATOM 1626 O MET A 107 -5.226 -5.851 -8.874 1.00 0.00 O ATOM 1627 CB MET A 107 -4.498 -6.853 -5.936 1.00 0.00 C ATOM 1628 CG MET A 107 -4.823 -7.462 -4.582 1.00 0.00 C ATOM 1629 SD MET A 107 -5.845 -8.942 -4.715 1.00 0.00 S ATOM 1630 CE MET A 107 -5.793 -9.541 -3.028 1.00 0.00 C ATOM 0 H MET A 107 -6.606 -7.835 -6.815 1.00 0.00 H new ATOM 0 HA MET A 107 -5.919 -5.248 -5.781 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.262 -7.653 -6.638 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.604 -6.236 -5.843 1.00 0.00 H new ATOM 0 HG2 MET A 107 -3.895 -7.711 -4.067 1.00 0.00 H new ATOM 0 HG3 MET A 107 -5.339 -6.723 -3.969 1.00 0.00 H new ATOM 0 HE1 MET A 107 -5.830 -10.630 -3.027 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.870 -9.209 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.647 -9.149 -2.476 1.00 0.00 H new ATOM 1640 N SER A 108 -4.681 -4.064 -7.620 1.00 0.00 N ATOM 1641 CA SER A 108 -4.201 -3.279 -8.751 1.00 0.00 C ATOM 1642 C SER A 108 -2.944 -3.902 -9.351 1.00 0.00 C ATOM 1643 O SER A 108 -2.404 -4.870 -8.817 1.00 0.00 O ATOM 1644 CB SER A 108 -3.913 -1.841 -8.315 1.00 0.00 C ATOM 1645 OG SER A 108 -2.750 -1.776 -7.508 1.00 0.00 O ATOM 0 H SER A 108 -4.616 -3.589 -6.720 1.00 0.00 H new ATOM 0 HA SER A 108 -4.980 -3.271 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.785 -1.210 -9.194 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.766 -1.448 -7.762 1.00 0.00 H new ATOM 0 HG SER A 108 -2.314 -0.907 -7.632 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.486 -3.339 -10.464 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.293 -3.839 -11.137 1.00 0.00 C ATOM 1653 C GLU A 109 -0.042 -3.551 -10.313 1.00 0.00 C ATOM 1654 O GLU A 109 0.011 -2.574 -9.567 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.160 -3.208 -12.525 1.00 0.00 C ATOM 1656 CG GLU A 109 -0.942 -1.704 -12.490 1.00 0.00 C ATOM 1657 CD GLU A 109 -0.586 -1.136 -13.850 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -1.512 -0.872 -14.645 1.00 0.00 O ATOM 1659 OE2 GLU A 109 0.620 -0.954 -14.119 1.00 0.00 O ATOM 0 H GLU A 109 -2.922 -2.537 -10.919 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.395 -4.919 -11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.327 -3.676 -13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.060 -3.423 -13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.846 -1.218 -12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.145 -1.472 -11.783 1.00 0.00 H new ATOM 1666 N ALA A 110 0.963 -4.409 -10.455 1.00 0.00 N ATOM 1667 CA ALA A 110 2.215 -4.247 -9.725 1.00 0.00 C ATOM 1668 C ALA A 110 2.913 -2.948 -10.115 1.00 0.00 C ATOM 1669 O ALA A 110 3.459 -2.831 -11.212 1.00 0.00 O ATOM 1670 CB ALA A 110 3.130 -5.436 -9.976 1.00 0.00 C ATOM 0 H ALA A 110 0.935 -5.223 -11.069 1.00 0.00 H new ATOM 0 HA ALA A 110 1.983 -4.200 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.061 -5.302 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.639 -6.350 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.347 -5.510 -11.042 1.00 0.00 H new ATOM 1676 N VAL A 111 2.891 -1.975 -9.211 1.00 0.00 N ATOM 1677 CA VAL A 111 3.522 -0.684 -9.460 1.00 0.00 C ATOM 1678 C VAL A 111 5.013 -0.732 -9.146 1.00 0.00 C ATOM 1679 O VAL A 111 5.415 -0.661 -7.985 1.00 0.00 O ATOM 1680 CB VAL A 111 2.868 0.432 -8.624 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.587 1.754 -8.843 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.391 0.556 -8.965 1.00 0.00 C ATOM 0 H VAL A 111 2.443 -2.056 -8.298 1.00 0.00 H new ATOM 0 HA VAL A 111 3.383 -0.463 -10.518 1.00 0.00 H new ATOM 0 HB VAL A 111 2.953 0.170 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.111 2.531 -8.244 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.631 1.654 -8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.535 2.026 -9.897 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.944 1.349 -8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.281 0.795 -10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.888 -0.387 -8.752 1.00 0.00 H new ATOM 1692 N GLN A 112 5.828 -0.852 -10.189 1.00 0.00 N ATOM 1693 CA GLN A 112 7.276 -0.910 -10.024 1.00 0.00 C ATOM 1694 C GLN A 112 7.847 0.476 -9.745 1.00 0.00 C ATOM 1695 O GLN A 112 7.809 1.359 -10.602 1.00 0.00 O ATOM 1696 CB GLN A 112 7.930 -1.502 -11.273 1.00 0.00 C ATOM 1697 CG GLN A 112 9.421 -1.755 -11.117 1.00 0.00 C ATOM 1698 CD GLN A 112 9.988 -2.607 -12.236 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.427 -2.668 -13.330 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.107 -3.269 -11.967 1.00 0.00 N ATOM 0 H GLN A 112 5.511 -0.911 -11.157 1.00 0.00 H new ATOM 0 HA GLN A 112 7.494 -1.552 -9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.435 -2.440 -11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.771 -0.825 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.947 -0.801 -11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.604 -2.247 -10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.538 -3.189 -11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.536 -3.857 -12.681 1.00 0.00 H new ATOM 1709 N PHE A 113 8.377 0.661 -8.540 1.00 0.00 N ATOM 1710 CA PHE A 113 8.955 1.941 -8.147 1.00 0.00 C ATOM 1711 C PHE A 113 10.317 1.743 -7.489 1.00 0.00 C ATOM 1712 O PHE A 113 10.421 1.138 -6.421 1.00 0.00 O ATOM 1713 CB PHE A 113 8.016 2.677 -7.189 1.00 0.00 C ATOM 1714 CG PHE A 113 8.580 3.969 -6.672 1.00 0.00 C ATOM 1715 CD1 PHE A 113 8.451 5.139 -7.403 1.00 0.00 C ATOM 1716 CD2 PHE A 113 9.238 4.014 -5.453 1.00 0.00 C ATOM 1717 CE1 PHE A 113 8.969 6.329 -6.929 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.758 5.202 -4.974 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.623 6.361 -5.712 1.00 0.00 C ATOM 0 H PHE A 113 8.418 -0.059 -7.819 1.00 0.00 H new ATOM 0 HA PHE A 113 9.089 2.542 -9.046 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.074 2.879 -7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.788 2.026 -6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.940 5.121 -8.354 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.346 3.111 -4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.863 7.234 -7.509 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.270 5.223 -4.023 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.028 7.290 -5.339 1.00 0.00 H new ATOM 1729 N ARG A 114 11.360 2.256 -8.134 1.00 0.00 N ATOM 1730 CA ARG A 114 12.716 2.135 -7.613 1.00 0.00 C ATOM 1731 C ARG A 114 12.926 3.063 -6.420 1.00 0.00 C ATOM 1732 O ARG A 114 12.522 4.226 -6.446 1.00 0.00 O ATOM 1733 CB ARG A 114 13.736 2.454 -8.707 1.00 0.00 C ATOM 1734 CG ARG A 114 15.141 1.969 -8.391 1.00 0.00 C ATOM 1735 CD ARG A 114 16.123 2.351 -9.487 1.00 0.00 C ATOM 1736 NE ARG A 114 17.452 1.794 -9.251 1.00 0.00 N ATOM 1737 CZ ARG A 114 18.471 1.941 -10.091 1.00 0.00 C ATOM 1738 NH1 ARG A 114 18.313 2.624 -11.216 1.00 0.00 N ATOM 1739 NH2 ARG A 114 19.650 1.404 -9.805 1.00 0.00 N ATOM 0 H ARG A 114 11.292 2.759 -9.018 1.00 0.00 H new ATOM 0 HA ARG A 114 12.860 1.107 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.406 2.001 -9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.760 3.532 -8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.469 2.395 -7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 114 15.134 0.886 -8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.748 1.999 -10.448 1.00 0.00 H new ATOM 0 HD3 ARG A 114 16.191 3.437 -9.550 1.00 0.00 H new ATOM 0 HE ARG A 114 17.607 1.263 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 114 17.408 3.038 -11.438 1.00 0.00 H new ATOM 0 HH12 ARG A 114 19.097 2.736 -11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.774 0.878 -8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 114 20.432 1.517 -10.450 1.00 0.00 H new ATOM 1753 N THR A 115 13.560 2.541 -5.375 1.00 0.00 N ATOM 1754 CA THR A 115 13.822 3.322 -4.172 1.00 0.00 C ATOM 1755 C THR A 115 15.038 4.222 -4.355 1.00 0.00 C ATOM 1756 O THR A 115 15.996 3.879 -5.048 1.00 0.00 O ATOM 1757 CB THR A 115 14.050 2.412 -2.950 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.831 1.273 -3.327 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.724 1.952 -2.363 1.00 0.00 C ATOM 0 H THR A 115 13.902 1.581 -5.337 1.00 0.00 H new ATOM 0 HA THR A 115 12.940 3.938 -3.997 1.00 0.00 H new ATOM 0 HB THR A 115 14.585 2.985 -2.193 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.239 0.567 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.910 1.311 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.144 2.820 -2.050 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.166 1.395 -3.116 1.00 0.00 H new ATOM 1767 N PRO A 116 15.003 5.403 -3.719 1.00 0.00 N ATOM 1768 CA PRO A 116 16.096 6.376 -3.795 1.00 0.00 C ATOM 1769 C PRO A 116 17.344 5.905 -3.057 1.00 0.00 C ATOM 1770 O PRO A 116 17.480 4.725 -2.736 1.00 0.00 O ATOM 1771 CB PRO A 116 15.512 7.619 -3.119 1.00 0.00 C ATOM 1772 CG PRO A 116 14.464 7.093 -2.200 1.00 0.00 C ATOM 1773 CD PRO A 116 13.893 5.877 -2.875 1.00 0.00 C ATOM 0 HA PRO A 116 16.420 6.545 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 116 16.278 8.169 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 116 15.088 8.306 -3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.889 6.837 -1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.690 7.840 -2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.588 5.122 -2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.013 6.123 -3.469 1.00 0.00 H new ATOM 1781 N LYS A 117 18.255 6.836 -2.791 1.00 0.00 N ATOM 1782 CA LYS A 117 19.492 6.517 -2.089 1.00 0.00 C ATOM 1783 C LYS A 117 19.827 7.593 -1.061 1.00 0.00 C ATOM 1784 O LYS A 117 19.347 8.722 -1.152 1.00 0.00 O ATOM 1785 CB LYS A 117 20.645 6.372 -3.085 1.00 0.00 C ATOM 1786 CG LYS A 117 20.543 5.132 -3.956 1.00 0.00 C ATOM 1787 CD LYS A 117 21.385 3.993 -3.406 1.00 0.00 C ATOM 1788 CE LYS A 117 20.958 3.615 -1.996 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.837 2.563 -1.414 1.00 0.00 N ATOM 0 H LYS A 117 18.159 7.818 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 117 19.350 5.571 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.675 7.254 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.587 6.344 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.502 4.817 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.868 5.370 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.296 3.125 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.435 4.284 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.981 4.500 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.928 3.260 -2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 21.513 2.333 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.796 1.709 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.816 2.911 -1.376 1.00 0.00 H new ATOM 1803 N ALA A 118 20.655 7.235 -0.085 1.00 0.00 N ATOM 1804 CA ALA A 118 21.057 8.172 0.958 1.00 0.00 C ATOM 1805 C ALA A 118 22.275 8.983 0.528 1.00 0.00 C ATOM 1806 O ALA A 118 22.242 10.213 0.522 1.00 0.00 O ATOM 1807 CB ALA A 118 21.347 7.427 2.253 1.00 0.00 C ATOM 0 H ALA A 118 21.060 6.303 0.006 1.00 0.00 H new ATOM 0 HA ALA A 118 20.233 8.865 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.646 8.138 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.451 6.897 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.152 6.711 2.088 1.00 0.00 H new ATOM 1813 N SER A 119 23.348 8.285 0.168 1.00 0.00 N ATOM 1814 CA SER A 119 24.578 8.941 -0.259 1.00 0.00 C ATOM 1815 C SER A 119 24.386 9.630 -1.607 1.00 0.00 C ATOM 1816 O SER A 119 23.932 9.016 -2.572 1.00 0.00 O ATOM 1817 CB SER A 119 25.718 7.925 -0.351 1.00 0.00 C ATOM 1818 OG SER A 119 26.328 7.728 0.913 1.00 0.00 O ATOM 0 H SER A 119 23.390 7.266 0.164 1.00 0.00 H new ATOM 0 HA SER A 119 24.834 9.697 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 119 25.334 6.976 -0.725 1.00 0.00 H new ATOM 0 HB3 SER A 119 26.462 8.273 -1.067 1.00 0.00 H new ATOM 0 HG SER A 119 27.052 7.073 0.828 1.00 0.00 H new ATOM 1824 N GLY A 120 24.736 10.912 -1.665 1.00 0.00 N ATOM 1825 CA GLY A 120 24.596 11.664 -2.898 1.00 0.00 C ATOM 1826 C GLY A 120 24.827 13.149 -2.700 1.00 0.00 C ATOM 1827 O GLY A 120 25.336 13.588 -1.669 1.00 0.00 O ATOM 0 H GLY A 120 25.114 11.443 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 120 25.304 11.284 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 120 23.597 11.506 -3.305 1.00 0.00 H new ATOM 1831 N PRO A 121 24.449 13.950 -3.708 1.00 0.00 N ATOM 1832 CA PRO A 121 24.609 15.406 -3.664 1.00 0.00 C ATOM 1833 C PRO A 121 23.669 16.063 -2.659 1.00 0.00 C ATOM 1834 O PRO A 121 22.516 16.359 -2.975 1.00 0.00 O ATOM 1835 CB PRO A 121 24.260 15.844 -5.089 1.00 0.00 C ATOM 1836 CG PRO A 121 23.365 14.772 -5.606 1.00 0.00 C ATOM 1837 CD PRO A 121 23.836 13.495 -4.967 1.00 0.00 C ATOM 0 HA PRO A 121 25.611 15.697 -3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 121 23.761 16.813 -5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 121 25.155 15.943 -5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 121 22.325 14.975 -5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 121 23.420 14.708 -6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 121 23.010 12.807 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 121 24.554 12.971 -5.598 1.00 0.00 H new ATOM 1845 N SER A 122 24.169 16.289 -1.449 1.00 0.00 N ATOM 1846 CA SER A 122 23.372 16.909 -0.396 1.00 0.00 C ATOM 1847 C SER A 122 24.014 18.208 0.079 1.00 0.00 C ATOM 1848 O SER A 122 24.803 18.214 1.024 1.00 0.00 O ATOM 1849 CB SER A 122 23.209 15.947 0.782 1.00 0.00 C ATOM 1850 OG SER A 122 22.044 16.249 1.530 1.00 0.00 O ATOM 0 H SER A 122 25.122 16.052 -1.173 1.00 0.00 H new ATOM 0 HA SER A 122 22.389 17.140 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 122 23.153 14.923 0.414 1.00 0.00 H new ATOM 0 HB3 SER A 122 24.085 16.006 1.428 1.00 0.00 H new ATOM 0 HG SER A 122 21.962 15.619 2.276 1.00 0.00 H new ATOM 1856 N SER A 123 23.671 19.308 -0.585 1.00 0.00 N ATOM 1857 CA SER A 123 24.216 20.614 -0.234 1.00 0.00 C ATOM 1858 C SER A 123 23.110 21.662 -0.157 1.00 0.00 C ATOM 1859 O SER A 123 22.357 21.857 -1.110 1.00 0.00 O ATOM 1860 CB SER A 123 25.269 21.042 -1.259 1.00 0.00 C ATOM 1861 OG SER A 123 25.848 22.286 -0.906 1.00 0.00 O ATOM 0 H SER A 123 23.018 19.320 -1.369 1.00 0.00 H new ATOM 0 HA SER A 123 24.685 20.533 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 123 26.047 20.281 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 123 24.811 21.117 -2.245 1.00 0.00 H new ATOM 0 HG SER A 123 26.519 22.536 -1.575 1.00 0.00 H new ATOM 1867 N GLY A 124 23.019 22.333 0.987 1.00 0.00 N ATOM 1868 CA GLY A 124 22.002 23.353 1.170 1.00 0.00 C ATOM 1869 C GLY A 124 20.616 22.765 1.346 1.00 0.00 C ATOM 1870 O GLY A 124 20.186 22.500 2.468 1.00 0.00 O ATOM 0 H GLY A 124 23.631 22.189 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 124 22.251 23.957 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 124 22.003 24.021 0.309 1.00 0.00 H new TER 1874 GLY A 124