USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 119:sc= -0.935 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -2.44 K(o=-6.5,f=-7.3) USER MOD Set 1.3: A 62 CYS SG : rot 62:sc= 0.132 USER MOD Set 1.4: A 65 CYS SG : rot -55:sc= -3.26! USER MOD Set 2.1: A 22 CYS SG : rot -40:sc= 1.48 USER MOD Set 2.2: A 25 CYS SG : rot -54:sc= -2.27 USER MOD Set 2.3: A 42 CYS SG : rot 69:sc= 1.51 USER MOD Set 2.4: A 45 CYS SG : rot 124:sc= -0.262 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 0.224 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 14:sc= 0.575 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.384) USER MOD Single : A 21 THR OG1 : rot 18:sc= 0.165 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 69 TYR OH : rot 130:sc= -3.09! USER MOD Single : A 73 ASN : amide:sc= -3.44 K(o=-3.4,f=-9.9!) USER MOD Single : A 75 LYS NZ :NH3+ -139:sc= -0.446 (180deg=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 16.176 13.406 -22.430 1.00 0.00 N ATOM 31 CA GLY A 4 16.236 12.192 -21.637 1.00 0.00 C ATOM 32 C GLY A 4 16.329 10.944 -22.492 1.00 0.00 C ATOM 33 O GLY A 4 16.320 11.023 -23.720 1.00 0.00 O ATOM 0 HA2 GLY A 4 17.099 12.238 -20.972 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.350 12.130 -21.005 1.00 0.00 H new ATOM 37 N SER A 5 16.421 9.789 -21.842 1.00 0.00 N ATOM 38 CA SER A 5 16.522 8.518 -22.551 1.00 0.00 C ATOM 39 C SER A 5 16.207 7.351 -21.621 1.00 0.00 C ATOM 40 O SER A 5 16.083 7.524 -20.409 1.00 0.00 O ATOM 41 CB SER A 5 17.922 8.351 -23.143 1.00 0.00 C ATOM 42 OG SER A 5 18.901 8.267 -22.122 1.00 0.00 O ATOM 0 H SER A 5 16.428 9.706 -20.825 1.00 0.00 H new ATOM 0 HA SER A 5 15.792 8.522 -23.360 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.955 7.452 -23.758 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.146 9.193 -23.798 1.00 0.00 H new ATOM 0 HG SER A 5 19.787 8.159 -22.526 1.00 0.00 H new ATOM 48 N SER A 6 16.080 6.160 -22.199 1.00 0.00 N ATOM 49 CA SER A 6 15.776 4.963 -21.424 1.00 0.00 C ATOM 50 C SER A 6 16.314 3.715 -22.118 1.00 0.00 C ATOM 51 O SER A 6 16.870 3.791 -23.212 1.00 0.00 O ATOM 52 CB SER A 6 14.266 4.834 -21.216 1.00 0.00 C ATOM 53 OG SER A 6 13.856 5.494 -20.031 1.00 0.00 O ATOM 0 H SER A 6 16.183 5.999 -23.201 1.00 0.00 H new ATOM 0 HA SER A 6 16.262 5.056 -20.453 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.740 5.257 -22.072 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.992 3.780 -21.163 1.00 0.00 H new ATOM 0 HG SER A 6 14.428 6.274 -19.876 1.00 0.00 H new ATOM 59 N GLY A 7 16.143 2.566 -21.472 1.00 0.00 N ATOM 60 CA GLY A 7 16.616 1.318 -22.041 1.00 0.00 C ATOM 61 C GLY A 7 15.534 0.257 -22.092 1.00 0.00 C ATOM 62 O GLY A 7 14.345 0.573 -22.079 1.00 0.00 O ATOM 0 H GLY A 7 15.685 2.477 -20.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.990 1.500 -23.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.455 0.949 -21.452 1.00 0.00 H new ATOM 66 N MET A 8 15.947 -1.005 -22.153 1.00 0.00 N ATOM 67 CA MET A 8 15.004 -2.115 -22.208 1.00 0.00 C ATOM 68 C MET A 8 15.726 -3.450 -22.053 1.00 0.00 C ATOM 69 O MET A 8 16.950 -3.520 -22.160 1.00 0.00 O ATOM 70 CB MET A 8 14.230 -2.091 -23.528 1.00 0.00 C ATOM 71 CG MET A 8 12.833 -2.681 -23.424 1.00 0.00 C ATOM 72 SD MET A 8 11.892 -2.510 -24.953 1.00 0.00 S ATOM 73 CE MET A 8 12.549 -3.875 -25.909 1.00 0.00 C ATOM 0 H MET A 8 16.928 -1.284 -22.166 1.00 0.00 H new ATOM 0 HA MET A 8 14.302 -2.003 -21.382 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.156 -1.061 -23.877 1.00 0.00 H new ATOM 0 HB3 MET A 8 14.794 -2.643 -24.280 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.907 -3.737 -23.164 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.295 -2.190 -22.614 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.064 -3.902 -26.885 1.00 0.00 H new ATOM 0 HE2 MET A 8 13.623 -3.743 -26.041 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.360 -4.811 -25.384 1.00 0.00 H new ATOM 83 N ALA A 9 14.959 -4.506 -21.801 1.00 0.00 N ATOM 84 CA ALA A 9 15.526 -5.839 -21.633 1.00 0.00 C ATOM 85 C ALA A 9 14.432 -6.900 -21.594 1.00 0.00 C ATOM 86 O ALA A 9 13.244 -6.581 -21.627 1.00 0.00 O ATOM 87 CB ALA A 9 16.368 -5.899 -20.366 1.00 0.00 C ATOM 0 H ALA A 9 13.944 -4.464 -21.709 1.00 0.00 H new ATOM 0 HA ALA A 9 16.166 -6.046 -22.491 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.785 -6.900 -20.253 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.179 -5.174 -20.433 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.744 -5.667 -19.503 1.00 0.00 H new ATOM 93 N SER A 10 14.841 -8.163 -21.525 1.00 0.00 N ATOM 94 CA SER A 10 13.895 -9.272 -21.486 1.00 0.00 C ATOM 95 C SER A 10 14.584 -10.559 -21.043 1.00 0.00 C ATOM 96 O SER A 10 15.812 -10.640 -21.013 1.00 0.00 O ATOM 97 CB SER A 10 13.254 -9.470 -22.861 1.00 0.00 C ATOM 98 OG SER A 10 12.086 -10.268 -22.768 1.00 0.00 O ATOM 0 H SER A 10 15.821 -8.444 -21.495 1.00 0.00 H new ATOM 0 HA SER A 10 13.118 -9.030 -20.761 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.003 -8.501 -23.292 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.969 -9.943 -23.535 1.00 0.00 H new ATOM 0 HG SER A 10 11.694 -10.379 -23.659 1.00 0.00 H new ATOM 104 N SER A 11 13.784 -11.563 -20.700 1.00 0.00 N ATOM 105 CA SER A 11 14.316 -12.846 -20.255 1.00 0.00 C ATOM 106 C SER A 11 13.310 -13.966 -20.501 1.00 0.00 C ATOM 107 O SER A 11 12.115 -13.811 -20.246 1.00 0.00 O ATOM 108 CB SER A 11 14.674 -12.785 -18.769 1.00 0.00 C ATOM 109 OG SER A 11 15.851 -12.023 -18.559 1.00 0.00 O ATOM 0 H SER A 11 12.765 -11.513 -20.722 1.00 0.00 H new ATOM 0 HA SER A 11 15.217 -13.057 -20.831 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.848 -12.345 -18.210 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.817 -13.795 -18.384 1.00 0.00 H new ATOM 0 HG SER A 11 16.060 -11.513 -19.370 1.00 0.00 H new ATOM 115 N VAL A 12 13.802 -15.096 -21.000 1.00 0.00 N ATOM 116 CA VAL A 12 12.947 -16.243 -21.281 1.00 0.00 C ATOM 117 C VAL A 12 13.335 -17.441 -20.420 1.00 0.00 C ATOM 118 O VAL A 12 14.486 -17.878 -20.428 1.00 0.00 O ATOM 119 CB VAL A 12 13.020 -16.647 -22.765 1.00 0.00 C ATOM 120 CG1 VAL A 12 12.566 -15.499 -23.654 1.00 0.00 C ATOM 121 CG2 VAL A 12 14.429 -17.089 -23.129 1.00 0.00 C ATOM 0 H VAL A 12 14.788 -15.241 -21.218 1.00 0.00 H new ATOM 0 HA VAL A 12 11.926 -15.943 -21.044 1.00 0.00 H new ATOM 0 HB VAL A 12 12.347 -17.489 -22.927 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.624 -15.803 -24.699 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.537 -15.235 -23.410 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.211 -14.635 -23.491 1.00 0.00 H new ATOM 0 HG21 VAL A 12 14.461 -17.371 -24.181 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.125 -16.269 -22.951 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.712 -17.944 -22.516 1.00 0.00 H new ATOM 131 N LEU A 13 12.367 -17.967 -19.679 1.00 0.00 N ATOM 132 CA LEU A 13 12.606 -19.116 -18.812 1.00 0.00 C ATOM 133 C LEU A 13 11.326 -19.921 -18.608 1.00 0.00 C ATOM 134 O LEU A 13 10.236 -19.468 -18.955 1.00 0.00 O ATOM 135 CB LEU A 13 13.152 -18.654 -17.459 1.00 0.00 C ATOM 136 CG LEU A 13 14.674 -18.553 -17.349 1.00 0.00 C ATOM 137 CD1 LEU A 13 15.065 -17.566 -16.260 1.00 0.00 C ATOM 138 CD2 LEU A 13 15.280 -19.921 -17.074 1.00 0.00 C ATOM 0 H LEU A 13 11.409 -17.617 -19.661 1.00 0.00 H new ATOM 0 HA LEU A 13 13.343 -19.757 -19.295 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.726 -17.677 -17.232 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.797 -19.343 -16.692 1.00 0.00 H new ATOM 0 HG LEU A 13 15.065 -18.189 -18.299 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.151 -17.507 -16.196 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.661 -16.582 -16.499 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.663 -17.901 -15.304 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.364 -19.830 -16.999 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.883 -20.313 -16.138 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.028 -20.601 -17.888 1.00 0.00 H new ATOM 150 N GLU A 14 11.468 -21.115 -18.042 1.00 0.00 N ATOM 151 CA GLU A 14 10.322 -21.982 -17.792 1.00 0.00 C ATOM 152 C GLU A 14 9.345 -21.325 -16.820 1.00 0.00 C ATOM 153 O GLU A 14 9.680 -21.075 -15.662 1.00 0.00 O ATOM 154 CB GLU A 14 10.785 -23.329 -17.234 1.00 0.00 C ATOM 155 CG GLU A 14 11.642 -24.126 -18.203 1.00 0.00 C ATOM 156 CD GLU A 14 12.184 -25.402 -17.588 1.00 0.00 C ATOM 157 OE1 GLU A 14 11.383 -26.324 -17.330 1.00 0.00 O ATOM 158 OE2 GLU A 14 13.411 -25.478 -17.365 1.00 0.00 O ATOM 0 H GLU A 14 12.364 -21.504 -17.748 1.00 0.00 H new ATOM 0 HA GLU A 14 9.810 -22.147 -18.740 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.350 -23.158 -16.318 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.911 -23.921 -16.964 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.052 -24.374 -19.085 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.474 -23.508 -18.540 1.00 0.00 H new ATOM 165 N MET A 15 8.138 -21.048 -17.301 1.00 0.00 N ATOM 166 CA MET A 15 7.112 -20.421 -16.475 1.00 0.00 C ATOM 167 C MET A 15 5.776 -20.376 -17.209 1.00 0.00 C ATOM 168 O MET A 15 5.706 -19.958 -18.365 1.00 0.00 O ATOM 169 CB MET A 15 7.539 -19.006 -16.081 1.00 0.00 C ATOM 170 CG MET A 15 7.673 -18.060 -17.263 1.00 0.00 C ATOM 171 SD MET A 15 8.303 -16.439 -16.788 1.00 0.00 S ATOM 172 CE MET A 15 8.887 -15.827 -18.367 1.00 0.00 C ATOM 0 H MET A 15 7.846 -21.247 -18.258 1.00 0.00 H new ATOM 0 HA MET A 15 6.990 -21.020 -15.573 1.00 0.00 H new ATOM 0 HB2 MET A 15 6.811 -18.598 -15.380 1.00 0.00 H new ATOM 0 HB3 MET A 15 8.493 -19.056 -15.556 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.340 -18.502 -18.003 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.700 -17.942 -17.741 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.307 -14.829 -18.238 1.00 0.00 H new ATOM 0 HE2 MET A 15 9.655 -16.496 -18.755 1.00 0.00 H new ATOM 0 HE3 MET A 15 8.055 -15.782 -19.070 1.00 0.00 H new ATOM 182 N ILE A 16 4.718 -20.809 -16.530 1.00 0.00 N ATOM 183 CA ILE A 16 3.385 -20.816 -17.118 1.00 0.00 C ATOM 184 C ILE A 16 2.631 -19.532 -16.789 1.00 0.00 C ATOM 185 O ILE A 16 2.096 -19.377 -15.691 1.00 0.00 O ATOM 186 CB ILE A 16 2.561 -22.022 -16.629 1.00 0.00 C ATOM 187 CG1 ILE A 16 3.268 -23.330 -16.989 1.00 0.00 C ATOM 188 CG2 ILE A 16 1.163 -21.986 -17.229 1.00 0.00 C ATOM 189 CD1 ILE A 16 2.871 -24.493 -16.107 1.00 0.00 C ATOM 0 H ILE A 16 4.759 -21.159 -15.573 1.00 0.00 H new ATOM 0 HA ILE A 16 3.517 -20.890 -18.197 1.00 0.00 H new ATOM 0 HB ILE A 16 2.471 -21.967 -15.544 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.047 -23.579 -18.027 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.346 -23.182 -16.919 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.593 -22.844 -16.874 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.661 -21.067 -16.927 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.233 -22.021 -18.316 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.411 -25.387 -16.419 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.117 -24.264 -15.070 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.799 -24.667 -16.195 1.00 0.00 H new ATOM 201 N LYS A 17 2.592 -18.613 -17.748 1.00 0.00 N ATOM 202 CA LYS A 17 1.901 -17.342 -17.562 1.00 0.00 C ATOM 203 C LYS A 17 0.920 -17.085 -18.702 1.00 0.00 C ATOM 204 O LYS A 17 1.261 -17.244 -19.873 1.00 0.00 O ATOM 205 CB LYS A 17 2.912 -16.197 -17.477 1.00 0.00 C ATOM 206 CG LYS A 17 3.908 -16.348 -16.340 1.00 0.00 C ATOM 207 CD LYS A 17 3.225 -16.256 -14.985 1.00 0.00 C ATOM 208 CE LYS A 17 4.231 -16.340 -13.847 1.00 0.00 C ATOM 209 NZ LYS A 17 4.702 -17.735 -13.626 1.00 0.00 N ATOM 0 H LYS A 17 3.031 -18.724 -18.662 1.00 0.00 H new ATOM 0 HA LYS A 17 1.341 -17.394 -16.628 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.456 -16.133 -18.419 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.374 -15.257 -17.355 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.418 -17.307 -16.427 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.671 -15.573 -16.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.674 -15.318 -14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.496 -17.061 -14.888 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.084 -15.699 -14.069 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.777 -15.961 -12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.697 -17.722 -13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.122 -18.185 -12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.617 -18.275 -14.511 1.00 0.00 H new ATOM 269 N THR A 21 0.765 -11.574 -15.813 1.00 0.00 N ATOM 270 CA THR A 21 2.057 -11.072 -15.364 1.00 0.00 C ATOM 271 C THR A 21 2.127 -9.553 -15.477 1.00 0.00 C ATOM 272 O THR A 21 1.421 -8.948 -16.284 1.00 0.00 O ATOM 273 CB THR A 21 3.212 -11.690 -16.175 1.00 0.00 C ATOM 274 OG1 THR A 21 3.022 -13.103 -16.299 1.00 0.00 O ATOM 275 CG2 THR A 21 4.551 -11.410 -15.509 1.00 0.00 C ATOM 0 HA THR A 21 2.162 -11.360 -14.318 1.00 0.00 H new ATOM 0 HB THR A 21 3.215 -11.236 -17.166 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.087 -13.326 -16.106 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.351 -11.856 -16.099 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.706 -10.333 -15.442 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.556 -11.840 -14.507 1.00 0.00 H new ATOM 283 N CYS A 22 2.983 -8.943 -14.665 1.00 0.00 N ATOM 284 CA CYS A 22 3.146 -7.494 -14.674 1.00 0.00 C ATOM 285 C CYS A 22 3.558 -7.002 -16.058 1.00 0.00 C ATOM 286 O CYS A 22 4.605 -7.371 -16.590 1.00 0.00 O ATOM 287 CB CYS A 22 4.190 -7.071 -13.638 1.00 0.00 C ATOM 288 SG CYS A 22 4.053 -5.333 -13.111 1.00 0.00 S ATOM 0 H CYS A 22 3.575 -9.430 -13.992 1.00 0.00 H new ATOM 0 HA CYS A 22 2.187 -7.043 -14.418 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.098 -7.713 -12.762 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.185 -7.237 -14.052 1.00 0.00 H new ATOM 0 HG CYS A 22 3.778 -4.588 -14.140 1.00 0.00 H new ATOM 293 N PRO A 23 2.715 -6.147 -16.657 1.00 0.00 N ATOM 294 CA PRO A 23 2.970 -5.585 -17.986 1.00 0.00 C ATOM 295 C PRO A 23 4.128 -4.593 -17.984 1.00 0.00 C ATOM 296 O PRO A 23 4.438 -3.984 -19.008 1.00 0.00 O ATOM 297 CB PRO A 23 1.658 -4.874 -18.328 1.00 0.00 C ATOM 298 CG PRO A 23 1.048 -4.549 -17.008 1.00 0.00 C ATOM 299 CD PRO A 23 1.448 -5.664 -16.082 1.00 0.00 C ATOM 0 HA PRO A 23 3.255 -6.353 -18.705 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.837 -3.973 -18.914 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.003 -5.514 -18.920 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.406 -3.588 -16.639 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.037 -4.477 -17.086 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.580 -5.310 -15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.695 -6.451 -16.052 1.00 0.00 H new ATOM 307 N ILE A 24 4.765 -4.437 -16.828 1.00 0.00 N ATOM 308 CA ILE A 24 5.890 -3.520 -16.694 1.00 0.00 C ATOM 309 C ILE A 24 7.208 -4.280 -16.590 1.00 0.00 C ATOM 310 O ILE A 24 8.044 -4.221 -17.492 1.00 0.00 O ATOM 311 CB ILE A 24 5.734 -2.614 -15.459 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.546 -1.666 -15.641 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.013 -1.827 -15.214 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.222 -0.858 -14.404 1.00 0.00 C ATOM 0 H ILE A 24 4.521 -4.934 -15.971 1.00 0.00 H new ATOM 0 HA ILE A 24 5.900 -2.899 -17.590 1.00 0.00 H new ATOM 0 HB ILE A 24 5.544 -3.242 -14.588 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.758 -0.985 -16.465 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.669 -2.247 -15.926 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.887 -1.191 -14.338 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.839 -2.518 -15.045 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.231 -1.207 -16.084 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.370 -0.209 -14.606 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.978 -1.532 -13.583 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.084 -0.250 -14.130 1.00 0.00 H new ATOM 326 N CYS A 25 7.387 -4.995 -15.484 1.00 0.00 N ATOM 327 CA CYS A 25 8.603 -5.768 -15.261 1.00 0.00 C ATOM 328 C CYS A 25 8.516 -7.128 -15.948 1.00 0.00 C ATOM 329 O CYS A 25 9.534 -7.718 -16.312 1.00 0.00 O ATOM 330 CB CYS A 25 8.844 -5.956 -13.762 1.00 0.00 C ATOM 331 SG CYS A 25 7.390 -6.557 -12.844 1.00 0.00 S ATOM 0 H CYS A 25 6.705 -5.055 -14.728 1.00 0.00 H new ATOM 0 HA CYS A 25 9.439 -5.216 -15.691 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.665 -6.660 -13.622 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.163 -5.006 -13.334 1.00 0.00 H new ATOM 0 HG CYS A 25 6.380 -5.770 -13.068 1.00 0.00 H new ATOM 336 N LEU A 26 7.294 -7.619 -16.122 1.00 0.00 N ATOM 337 CA LEU A 26 7.073 -8.910 -16.766 1.00 0.00 C ATOM 338 C LEU A 26 7.549 -10.052 -15.874 1.00 0.00 C ATOM 339 O LEU A 26 8.273 -10.941 -16.321 1.00 0.00 O ATOM 340 CB LEU A 26 7.800 -8.962 -18.111 1.00 0.00 C ATOM 341 CG LEU A 26 7.595 -7.757 -19.031 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.694 -7.695 -20.080 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.226 -7.818 -19.693 1.00 0.00 C ATOM 0 H LEU A 26 6.441 -7.143 -15.827 1.00 0.00 H new ATOM 0 HA LEU A 26 6.002 -9.026 -16.934 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.868 -9.071 -17.920 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.478 -9.858 -18.641 1.00 0.00 H new ATOM 0 HG LEU A 26 7.644 -6.850 -18.428 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.532 -6.832 -20.726 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.662 -7.604 -19.588 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.676 -8.605 -20.680 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.098 -6.953 -20.344 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.148 -8.731 -20.283 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.451 -7.814 -18.927 1.00 0.00 H new ATOM 355 N GLU A 27 7.136 -10.021 -14.611 1.00 0.00 N ATOM 356 CA GLU A 27 7.519 -11.055 -13.657 1.00 0.00 C ATOM 357 C GLU A 27 6.442 -11.239 -12.592 1.00 0.00 C ATOM 358 O GLU A 27 5.554 -10.399 -12.438 1.00 0.00 O ATOM 359 CB GLU A 27 8.852 -10.700 -12.994 1.00 0.00 C ATOM 360 CG GLU A 27 8.738 -9.602 -11.949 1.00 0.00 C ATOM 361 CD GLU A 27 9.764 -9.743 -10.842 1.00 0.00 C ATOM 362 OE1 GLU A 27 10.914 -10.124 -11.144 1.00 0.00 O ATOM 363 OE2 GLU A 27 9.418 -9.472 -9.673 1.00 0.00 O ATOM 0 H GLU A 27 6.537 -9.292 -14.225 1.00 0.00 H new ATOM 0 HA GLU A 27 7.631 -11.992 -14.202 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.265 -11.594 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.559 -10.387 -13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.860 -8.632 -12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.738 -9.619 -11.517 1.00 0.00 H new ATOM 370 N LEU A 28 6.526 -12.344 -11.859 1.00 0.00 N ATOM 371 CA LEU A 28 5.559 -12.641 -10.808 1.00 0.00 C ATOM 372 C LEU A 28 5.127 -11.366 -10.090 1.00 0.00 C ATOM 373 O LEU A 28 5.958 -10.625 -9.564 1.00 0.00 O ATOM 374 CB LEU A 28 6.154 -13.629 -9.804 1.00 0.00 C ATOM 375 CG LEU A 28 5.995 -15.111 -10.145 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.879 -15.963 -9.248 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.539 -15.534 -10.019 1.00 0.00 C ATOM 0 H LEU A 28 7.254 -13.049 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 28 4.681 -13.090 -11.272 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.217 -13.413 -9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.695 -13.449 -8.832 1.00 0.00 H new ATOM 0 HG LEU A 28 6.308 -15.262 -11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.752 -17.015 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.922 -15.678 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.597 -15.808 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.445 -16.592 -10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.199 -15.368 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.929 -14.946 -10.704 1.00 0.00 H new ATOM 389 N LEU A 29 3.822 -11.118 -10.070 1.00 0.00 N ATOM 390 CA LEU A 29 3.279 -9.934 -9.414 1.00 0.00 C ATOM 391 C LEU A 29 3.383 -10.056 -7.897 1.00 0.00 C ATOM 392 O LEU A 29 2.737 -10.907 -7.285 1.00 0.00 O ATOM 393 CB LEU A 29 1.819 -9.726 -9.821 1.00 0.00 C ATOM 394 CG LEU A 29 1.574 -9.391 -11.293 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.235 -9.947 -11.751 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.632 -7.886 -11.514 1.00 0.00 C ATOM 0 H LEU A 29 3.121 -11.721 -10.500 1.00 0.00 H new ATOM 0 HA LEU A 29 3.865 -9.072 -9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.262 -10.631 -9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.404 -8.923 -9.212 1.00 0.00 H new ATOM 0 HG LEU A 29 2.360 -9.856 -11.888 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.078 -9.699 -12.801 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.230 -11.030 -11.629 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.564 -9.511 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.456 -7.666 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.867 -7.400 -10.908 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.615 -7.513 -11.225 1.00 0.00 H new ATOM 408 N LYS A 30 4.199 -9.197 -7.294 1.00 0.00 N ATOM 409 CA LYS A 30 4.386 -9.205 -5.848 1.00 0.00 C ATOM 410 C LYS A 30 3.494 -8.165 -5.178 1.00 0.00 C ATOM 411 O LYS A 30 3.628 -6.967 -5.428 1.00 0.00 O ATOM 412 CB LYS A 30 5.852 -8.935 -5.501 1.00 0.00 C ATOM 413 CG LYS A 30 6.136 -8.943 -4.009 1.00 0.00 C ATOM 414 CD LYS A 30 7.310 -8.046 -3.660 1.00 0.00 C ATOM 415 CE LYS A 30 6.911 -6.578 -3.666 1.00 0.00 C ATOM 416 NZ LYS A 30 8.009 -5.703 -3.169 1.00 0.00 N ATOM 0 H LYS A 30 4.741 -8.486 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 30 4.107 -10.191 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.475 -9.687 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.142 -7.968 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.250 -8.611 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.346 -9.962 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.695 -8.315 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.118 -8.208 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.639 -6.280 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.026 -6.439 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.698 -4.711 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.252 -5.971 -2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.845 -5.816 -3.777 1.00 0.00 H new ATOM 430 N GLU A 31 2.585 -8.630 -4.327 1.00 0.00 N ATOM 431 CA GLU A 31 1.672 -7.739 -3.622 1.00 0.00 C ATOM 432 C GLU A 31 1.177 -6.628 -4.543 1.00 0.00 C ATOM 433 O GLU A 31 1.281 -5.440 -4.237 1.00 0.00 O ATOM 434 CB GLU A 31 2.361 -7.131 -2.398 1.00 0.00 C ATOM 435 CG GLU A 31 2.794 -8.162 -1.369 1.00 0.00 C ATOM 436 CD GLU A 31 1.626 -8.947 -0.803 1.00 0.00 C ATOM 437 OE1 GLU A 31 0.618 -8.317 -0.420 1.00 0.00 O ATOM 438 OE2 GLU A 31 1.720 -10.191 -0.744 1.00 0.00 O ATOM 0 H GLU A 31 2.461 -9.619 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 31 0.814 -8.326 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.235 -6.568 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.683 -6.421 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.503 -8.852 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.318 -7.660 -0.556 1.00 0.00 H new ATOM 445 N PRO A 32 0.624 -7.022 -5.700 1.00 0.00 N ATOM 446 CA PRO A 32 0.101 -6.076 -6.690 1.00 0.00 C ATOM 447 C PRO A 32 -1.166 -5.376 -6.210 1.00 0.00 C ATOM 448 O PRO A 32 -1.750 -5.754 -5.194 1.00 0.00 O ATOM 449 CB PRO A 32 -0.204 -6.962 -7.900 1.00 0.00 C ATOM 450 CG PRO A 32 -0.436 -8.318 -7.329 1.00 0.00 C ATOM 451 CD PRO A 32 0.466 -8.421 -6.130 1.00 0.00 C ATOM 0 HA PRO A 32 0.808 -5.273 -6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.081 -6.605 -8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.626 -6.967 -8.606 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.480 -8.448 -7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.205 -9.094 -8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.023 -9.035 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.424 -8.873 -6.386 1.00 0.00 H new ATOM 459 N VAL A 33 -1.587 -4.353 -6.947 1.00 0.00 N ATOM 460 CA VAL A 33 -2.786 -3.600 -6.598 1.00 0.00 C ATOM 461 C VAL A 33 -3.723 -3.472 -7.794 1.00 0.00 C ATOM 462 O VAL A 33 -3.350 -2.924 -8.831 1.00 0.00 O ATOM 463 CB VAL A 33 -2.434 -2.193 -6.081 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.565 -2.282 -4.836 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.742 -1.384 -7.168 1.00 0.00 C ATOM 0 H VAL A 33 -1.115 -4.026 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.289 -4.154 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.359 -1.682 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.327 -1.278 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.102 -2.821 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.642 -2.812 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.500 -0.392 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.825 -1.890 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.404 -1.289 -8.029 1.00 0.00 H new ATOM 475 N SER A 34 -4.941 -3.981 -7.641 1.00 0.00 N ATOM 476 CA SER A 34 -5.931 -3.926 -8.710 1.00 0.00 C ATOM 477 C SER A 34 -6.406 -2.494 -8.939 1.00 0.00 C ATOM 478 O SER A 34 -6.444 -1.686 -8.011 1.00 0.00 O ATOM 479 CB SER A 34 -7.124 -4.823 -8.376 1.00 0.00 C ATOM 480 OG SER A 34 -6.756 -6.192 -8.401 1.00 0.00 O ATOM 0 H SER A 34 -5.266 -4.436 -6.788 1.00 0.00 H new ATOM 0 HA SER A 34 -5.460 -4.285 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.512 -4.565 -7.390 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.927 -4.646 -9.091 1.00 0.00 H new ATOM 0 HG SER A 34 -7.536 -6.744 -8.183 1.00 0.00 H new ATOM 486 N ALA A 35 -6.767 -2.188 -10.180 1.00 0.00 N ATOM 487 CA ALA A 35 -7.241 -0.855 -10.532 1.00 0.00 C ATOM 488 C ALA A 35 -8.581 -0.922 -11.257 1.00 0.00 C ATOM 489 O ALA A 35 -9.037 -2.000 -11.639 1.00 0.00 O ATOM 490 CB ALA A 35 -6.210 -0.137 -11.390 1.00 0.00 C ATOM 0 H ALA A 35 -6.740 -2.845 -10.959 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.385 -0.293 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.578 0.857 -11.645 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.275 -0.047 -10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.038 -0.706 -12.304 1.00 0.00 H new ATOM 496 N ASP A 36 -9.206 0.235 -11.442 1.00 0.00 N ATOM 497 CA ASP A 36 -10.494 0.307 -12.122 1.00 0.00 C ATOM 498 C ASP A 36 -10.443 -0.420 -13.462 1.00 0.00 C ATOM 499 O ASP A 36 -11.399 -1.090 -13.853 1.00 0.00 O ATOM 500 CB ASP A 36 -10.901 1.766 -12.335 1.00 0.00 C ATOM 501 CG ASP A 36 -11.647 2.338 -11.145 1.00 0.00 C ATOM 502 OD1 ASP A 36 -10.990 2.668 -10.136 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.888 2.456 -11.224 1.00 0.00 O ATOM 0 H ASP A 36 -8.842 1.136 -11.131 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.237 -0.182 -11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.010 2.365 -12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.529 1.839 -13.223 1.00 0.00 H new ATOM 508 N CYS A 37 -9.322 -0.282 -14.162 1.00 0.00 N ATOM 509 CA CYS A 37 -9.146 -0.924 -15.459 1.00 0.00 C ATOM 510 C CYS A 37 -8.709 -2.377 -15.292 1.00 0.00 C ATOM 511 O CYS A 37 -7.894 -2.883 -16.061 1.00 0.00 O ATOM 512 CB CYS A 37 -8.114 -0.163 -16.292 1.00 0.00 C ATOM 513 SG CYS A 37 -6.530 0.120 -15.437 1.00 0.00 S ATOM 0 H CYS A 37 -8.521 0.269 -13.852 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.105 -0.908 -15.977 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.924 -0.718 -17.211 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.535 0.800 -16.582 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.573 -0.468 -16.091 1.00 0.00 H new ATOM 518 N ASN A 38 -9.259 -3.042 -14.280 1.00 0.00 N ATOM 519 CA ASN A 38 -8.926 -4.436 -14.011 1.00 0.00 C ATOM 520 C ASN A 38 -7.458 -4.714 -14.319 1.00 0.00 C ATOM 521 O ASN A 38 -7.115 -5.762 -14.867 1.00 0.00 O ATOM 522 CB ASN A 38 -9.817 -5.363 -14.841 1.00 0.00 C ATOM 523 CG ASN A 38 -11.289 -5.191 -14.518 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.648 -4.684 -13.456 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.149 -5.615 -15.437 1.00 0.00 N ATOM 0 H ASN A 38 -9.937 -2.638 -13.634 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.099 -4.628 -12.952 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.655 -5.166 -15.901 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.527 -6.398 -14.661 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.152 -5.526 -15.276 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.806 -6.029 -16.304 1.00 0.00 H new ATOM 532 N HIS A 39 -6.595 -3.768 -13.962 1.00 0.00 N ATOM 533 CA HIS A 39 -5.163 -3.912 -14.199 1.00 0.00 C ATOM 534 C HIS A 39 -4.380 -3.774 -12.896 1.00 0.00 C ATOM 535 O HIS A 39 -4.426 -2.733 -12.240 1.00 0.00 O ATOM 536 CB HIS A 39 -4.684 -2.867 -15.207 1.00 0.00 C ATOM 537 CG HIS A 39 -5.224 -3.076 -16.588 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.239 -2.087 -17.548 1.00 0.00 N ATOM 539 CD2 HIS A 39 -5.769 -4.170 -17.169 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.772 -2.563 -18.660 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.101 -3.825 -18.456 1.00 0.00 N ATOM 0 H HIS A 39 -6.862 -2.894 -13.508 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.986 -4.907 -14.606 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.976 -1.877 -14.858 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.595 -2.883 -15.245 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.916 -5.135 -16.706 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.914 -2.013 -19.579 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.532 -4.444 -19.143 1.00 0.00 H new ATOM 549 N SER A 40 -3.664 -4.831 -12.527 1.00 0.00 N ATOM 550 CA SER A 40 -2.876 -4.830 -11.300 1.00 0.00 C ATOM 551 C SER A 40 -1.383 -4.800 -11.614 1.00 0.00 C ATOM 552 O SER A 40 -0.937 -5.355 -12.619 1.00 0.00 O ATOM 553 CB SER A 40 -3.206 -6.062 -10.455 1.00 0.00 C ATOM 554 OG SER A 40 -2.893 -7.256 -11.150 1.00 0.00 O ATOM 0 H SER A 40 -3.613 -5.699 -13.060 1.00 0.00 H new ATOM 0 HA SER A 40 -3.130 -3.933 -10.735 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.648 -6.025 -9.519 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.265 -6.056 -10.195 1.00 0.00 H new ATOM 0 HG SER A 40 -3.111 -8.029 -10.588 1.00 0.00 H new ATOM 560 N PHE A 41 -0.615 -4.149 -10.746 1.00 0.00 N ATOM 561 CA PHE A 41 0.828 -4.045 -10.930 1.00 0.00 C ATOM 562 C PHE A 41 1.552 -4.099 -9.588 1.00 0.00 C ATOM 563 O PHE A 41 0.988 -3.751 -8.550 1.00 0.00 O ATOM 564 CB PHE A 41 1.178 -2.746 -11.659 1.00 0.00 C ATOM 565 CG PHE A 41 0.139 -2.319 -12.656 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.971 -1.594 -12.253 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.271 -2.644 -13.997 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.929 -1.200 -13.168 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.683 -2.252 -14.916 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.785 -1.530 -14.501 1.00 0.00 C ATOM 0 H PHE A 41 -0.968 -3.686 -9.909 1.00 0.00 H new ATOM 0 HA PHE A 41 1.154 -4.892 -11.534 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.313 -1.952 -10.925 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.132 -2.872 -12.172 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.089 -1.334 -11.211 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.129 -3.210 -14.327 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.789 -0.635 -12.841 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.567 -2.510 -15.958 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.533 -1.224 -15.218 1.00 0.00 H new ATOM 580 N CYS A 42 2.805 -4.540 -9.617 1.00 0.00 N ATOM 581 CA CYS A 42 3.608 -4.641 -8.404 1.00 0.00 C ATOM 582 C CYS A 42 3.456 -3.390 -7.544 1.00 0.00 C ATOM 583 O CYS A 42 3.619 -2.269 -8.027 1.00 0.00 O ATOM 584 CB CYS A 42 5.081 -4.854 -8.759 1.00 0.00 C ATOM 585 SG CYS A 42 5.375 -6.221 -9.927 1.00 0.00 S ATOM 0 H CYS A 42 3.286 -4.833 -10.467 1.00 0.00 H new ATOM 0 HA CYS A 42 3.251 -5.498 -7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.477 -3.933 -9.187 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.640 -5.046 -7.843 1.00 0.00 H new ATOM 0 HG CYS A 42 4.912 -5.898 -11.098 1.00 0.00 H new ATOM 590 N ARG A 43 3.143 -3.590 -6.268 1.00 0.00 N ATOM 591 CA ARG A 43 2.968 -2.479 -5.341 1.00 0.00 C ATOM 592 C ARG A 43 3.929 -1.340 -5.670 1.00 0.00 C ATOM 593 O ARG A 43 3.553 -0.169 -5.638 1.00 0.00 O ATOM 594 CB ARG A 43 3.190 -2.947 -3.902 1.00 0.00 C ATOM 595 CG ARG A 43 3.152 -1.821 -2.882 1.00 0.00 C ATOM 596 CD ARG A 43 1.740 -1.291 -2.689 1.00 0.00 C ATOM 597 NE ARG A 43 1.678 -0.261 -1.656 1.00 0.00 N ATOM 598 CZ ARG A 43 0.544 0.276 -1.220 1.00 0.00 C ATOM 599 NH1 ARG A 43 -0.617 -0.119 -1.724 1.00 0.00 N ATOM 600 NH2 ARG A 43 0.570 1.209 -0.277 1.00 0.00 N ATOM 0 H ARG A 43 3.005 -4.511 -5.853 1.00 0.00 H new ATOM 0 HA ARG A 43 1.947 -2.112 -5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.427 -3.683 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.154 -3.452 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.541 -2.179 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.804 -1.011 -3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.375 -0.882 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.078 -2.114 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 43 2.554 0.064 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.641 -0.837 -2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.486 0.295 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.461 1.514 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.301 1.621 0.057 1.00 0.00 H new ATOM 614 N ALA A 44 5.171 -1.693 -5.986 1.00 0.00 N ATOM 615 CA ALA A 44 6.185 -0.701 -6.322 1.00 0.00 C ATOM 616 C ALA A 44 5.994 -0.181 -7.743 1.00 0.00 C ATOM 617 O ALA A 44 5.861 1.023 -7.961 1.00 0.00 O ATOM 618 CB ALA A 44 7.577 -1.293 -6.157 1.00 0.00 C ATOM 0 H ALA A 44 5.499 -2.658 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 44 6.076 0.140 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.324 -0.541 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.718 -1.610 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.687 -2.153 -6.818 1.00 0.00 H new ATOM 624 N CYS A 45 5.983 -1.096 -8.707 1.00 0.00 N ATOM 625 CA CYS A 45 5.810 -0.730 -10.107 1.00 0.00 C ATOM 626 C CYS A 45 4.825 0.426 -10.249 1.00 0.00 C ATOM 627 O CYS A 45 5.202 1.532 -10.638 1.00 0.00 O ATOM 628 CB CYS A 45 5.321 -1.934 -10.914 1.00 0.00 C ATOM 629 SG CYS A 45 6.651 -3.052 -11.463 1.00 0.00 S ATOM 0 H CYS A 45 6.092 -2.097 -8.543 1.00 0.00 H new ATOM 0 HA CYS A 45 6.777 -0.410 -10.495 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.612 -2.500 -10.309 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.778 -1.575 -11.789 1.00 0.00 H new ATOM 0 HG CYS A 45 6.414 -4.254 -11.029 1.00 0.00 H new ATOM 634 N ILE A 46 3.562 0.162 -9.932 1.00 0.00 N ATOM 635 CA ILE A 46 2.523 1.180 -10.023 1.00 0.00 C ATOM 636 C ILE A 46 2.980 2.490 -9.390 1.00 0.00 C ATOM 637 O ILE A 46 2.599 3.574 -9.835 1.00 0.00 O ATOM 638 CB ILE A 46 1.222 0.720 -9.340 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.142 1.795 -9.472 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.478 0.397 -7.875 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.657 1.695 -10.753 1.00 0.00 C ATOM 0 H ILE A 46 3.234 -0.748 -9.610 1.00 0.00 H new ATOM 0 HA ILE A 46 2.330 1.339 -11.084 1.00 0.00 H new ATOM 0 HB ILE A 46 0.870 -0.185 -9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.538 1.722 -8.623 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.611 2.778 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.549 0.073 -7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.218 -0.400 -7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.851 1.286 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.404 2.488 -10.779 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.011 1.798 -11.608 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.155 0.726 -10.797 1.00 0.00 H new ATOM 653 N THR A 47 3.801 2.384 -8.351 1.00 0.00 N ATOM 654 CA THR A 47 4.312 3.560 -7.657 1.00 0.00 C ATOM 655 C THR A 47 5.408 4.243 -8.466 1.00 0.00 C ATOM 656 O THR A 47 5.255 5.389 -8.893 1.00 0.00 O ATOM 657 CB THR A 47 4.868 3.195 -6.267 1.00 0.00 C ATOM 658 OG1 THR A 47 3.886 2.465 -5.523 1.00 0.00 O ATOM 659 CG2 THR A 47 5.268 4.445 -5.499 1.00 0.00 C ATOM 0 H THR A 47 4.127 1.495 -7.971 1.00 0.00 H new ATOM 0 HA THR A 47 3.473 4.245 -7.536 1.00 0.00 H new ATOM 0 HB THR A 47 5.753 2.574 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.915 1.520 -5.782 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.657 4.162 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.037 4.983 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.397 5.087 -5.371 1.00 0.00 H new ATOM 667 N LEU A 48 6.512 3.535 -8.675 1.00 0.00 N ATOM 668 CA LEU A 48 7.634 4.074 -9.435 1.00 0.00 C ATOM 669 C LEU A 48 7.161 4.672 -10.755 1.00 0.00 C ATOM 670 O LEU A 48 7.638 5.724 -11.178 1.00 0.00 O ATOM 671 CB LEU A 48 8.669 2.979 -9.700 1.00 0.00 C ATOM 672 CG LEU A 48 10.127 3.434 -9.762 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.299 4.533 -10.799 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.597 3.910 -8.395 1.00 0.00 C ATOM 0 H LEU A 48 6.654 2.586 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 48 8.094 4.865 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.578 2.224 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.421 2.493 -10.643 1.00 0.00 H new ATOM 0 HG LEU A 48 10.740 2.583 -10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.343 4.845 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.004 4.158 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.674 5.385 -10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.637 4.230 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.979 4.747 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.512 3.095 -7.677 1.00 0.00 H new ATOM 686 N ASN A 49 6.217 3.994 -11.401 1.00 0.00 N ATOM 687 CA ASN A 49 5.677 4.460 -12.674 1.00 0.00 C ATOM 688 C ASN A 49 4.935 5.782 -12.499 1.00 0.00 C ATOM 689 O ASN A 49 5.181 6.744 -13.226 1.00 0.00 O ATOM 690 CB ASN A 49 4.737 3.409 -13.267 1.00 0.00 C ATOM 691 CG ASN A 49 4.291 3.761 -14.674 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.274 4.427 -14.866 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.053 3.312 -15.665 1.00 0.00 N ATOM 0 H ASN A 49 5.811 3.121 -11.064 1.00 0.00 H new ATOM 0 HA ASN A 49 6.511 4.620 -13.358 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.239 2.442 -13.279 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.861 3.306 -12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.804 3.516 -16.633 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.888 2.763 -15.458 1.00 0.00 H new ATOM 700 N TYR A 50 4.028 5.820 -11.530 1.00 0.00 N ATOM 701 CA TYR A 50 3.249 7.023 -11.260 1.00 0.00 C ATOM 702 C TYR A 50 4.157 8.240 -11.118 1.00 0.00 C ATOM 703 O TYR A 50 3.867 9.310 -11.653 1.00 0.00 O ATOM 704 CB TYR A 50 2.417 6.843 -9.989 1.00 0.00 C ATOM 705 CG TYR A 50 1.970 8.147 -9.368 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.792 8.764 -9.772 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.724 8.761 -8.376 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.381 9.956 -9.208 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.319 9.952 -7.805 1.00 0.00 C ATOM 710 CZ TYR A 50 1.147 10.546 -8.225 1.00 0.00 C ATOM 711 OH TYR A 50 0.740 11.732 -7.659 1.00 0.00 O ATOM 0 H TYR A 50 3.814 5.032 -10.918 1.00 0.00 H new ATOM 0 HA TYR A 50 2.580 7.188 -12.104 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.538 6.241 -10.222 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.002 6.284 -9.258 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.188 8.304 -10.540 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.643 8.299 -8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.536 10.424 -9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.917 10.415 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 50 1.391 12.012 -6.982 1.00 0.00 H new ATOM 721 N GLU A 51 5.258 8.068 -10.393 1.00 0.00 N ATOM 722 CA GLU A 51 6.210 9.152 -10.181 1.00 0.00 C ATOM 723 C GLU A 51 6.562 9.833 -11.500 1.00 0.00 C ATOM 724 O GLU A 51 6.549 11.060 -11.600 1.00 0.00 O ATOM 725 CB GLU A 51 7.480 8.622 -9.513 1.00 0.00 C ATOM 726 CG GLU A 51 7.258 8.119 -8.096 1.00 0.00 C ATOM 727 CD GLU A 51 6.676 9.182 -7.184 1.00 0.00 C ATOM 728 OE1 GLU A 51 7.386 10.166 -6.891 1.00 0.00 O ATOM 729 OE2 GLU A 51 5.510 9.028 -6.765 1.00 0.00 O ATOM 0 H GLU A 51 5.513 7.189 -9.943 1.00 0.00 H new ATOM 0 HA GLU A 51 5.744 9.888 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.887 7.812 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.229 9.414 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.588 7.260 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.206 7.772 -7.685 1.00 0.00 H new ATOM 861 N ASN A 61 -1.700 7.928 -15.326 1.00 0.00 N ATOM 862 CA ASN A 61 -2.129 7.191 -16.509 1.00 0.00 C ATOM 863 C ASN A 61 -1.597 5.761 -16.482 1.00 0.00 C ATOM 864 O ASN A 61 -0.471 5.514 -16.047 1.00 0.00 O ATOM 865 CB ASN A 61 -1.653 7.900 -17.779 1.00 0.00 C ATOM 866 CG ASN A 61 -0.144 8.037 -17.833 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.549 7.176 -18.376 1.00 0.00 O ATOM 868 ND2 ASN A 61 0.372 9.122 -17.269 1.00 0.00 N ATOM 0 HA ASN A 61 -3.218 7.155 -16.508 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.996 7.345 -18.652 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.107 8.890 -17.831 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.381 9.269 -17.274 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.241 9.809 -16.830 1.00 0.00 H new ATOM 875 N CYS A 62 -2.413 4.823 -16.949 1.00 0.00 N ATOM 876 CA CYS A 62 -2.026 3.417 -16.979 1.00 0.00 C ATOM 877 C CYS A 62 -1.136 3.124 -18.183 1.00 0.00 C ATOM 878 O CYS A 62 -1.468 3.445 -19.324 1.00 0.00 O ATOM 879 CB CYS A 62 -3.268 2.525 -17.019 1.00 0.00 C ATOM 880 SG CYS A 62 -2.908 0.744 -16.897 1.00 0.00 S ATOM 0 H CYS A 62 -3.347 5.011 -17.312 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.462 3.201 -16.071 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.932 2.807 -16.202 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.808 2.713 -17.947 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.341 0.493 -15.754 1.00 0.00 H new ATOM 885 N PRO A 63 0.022 2.499 -17.924 1.00 0.00 N ATOM 886 CA PRO A 63 0.984 2.148 -18.974 1.00 0.00 C ATOM 887 C PRO A 63 0.472 1.033 -19.879 1.00 0.00 C ATOM 888 O PRO A 63 1.213 0.500 -20.705 1.00 0.00 O ATOM 889 CB PRO A 63 2.210 1.677 -18.188 1.00 0.00 C ATOM 890 CG PRO A 63 1.667 1.209 -16.882 1.00 0.00 C ATOM 891 CD PRO A 63 0.483 2.087 -16.587 1.00 0.00 C ATOM 0 HA PRO A 63 1.184 2.987 -19.641 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.731 0.875 -18.710 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.927 2.486 -18.051 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.372 0.161 -16.935 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.418 1.289 -16.096 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.292 1.547 -16.043 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.762 2.945 -15.976 1.00 0.00 H new ATOM 899 N VAL A 64 -0.801 0.684 -19.719 1.00 0.00 N ATOM 900 CA VAL A 64 -1.413 -0.367 -20.524 1.00 0.00 C ATOM 901 C VAL A 64 -2.604 0.167 -21.311 1.00 0.00 C ATOM 902 O VAL A 64 -2.652 0.057 -22.537 1.00 0.00 O ATOM 903 CB VAL A 64 -1.877 -1.546 -19.648 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.568 -2.602 -20.497 1.00 0.00 C ATOM 905 CG2 VAL A 64 -0.700 -2.143 -18.892 1.00 0.00 C ATOM 0 H VAL A 64 -1.428 1.114 -19.039 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.650 -0.718 -21.219 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.596 -1.174 -18.918 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.889 -3.427 -19.861 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.437 -2.163 -20.988 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.874 -2.974 -21.251 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.046 -2.975 -18.278 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.045 -2.502 -19.603 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.254 -1.381 -18.253 1.00 0.00 H new ATOM 915 N CYS A 65 -3.565 0.747 -20.599 1.00 0.00 N ATOM 916 CA CYS A 65 -4.757 1.299 -21.231 1.00 0.00 C ATOM 917 C CYS A 65 -4.710 2.824 -21.242 1.00 0.00 C ATOM 918 O CYS A 65 -5.510 3.475 -21.915 1.00 0.00 O ATOM 919 CB CYS A 65 -6.014 0.823 -20.499 1.00 0.00 C ATOM 920 SG CYS A 65 -6.094 1.329 -18.751 1.00 0.00 S ATOM 0 H CYS A 65 -3.541 0.847 -19.584 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.788 0.946 -22.262 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.892 1.209 -21.018 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.063 -0.264 -20.554 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.016 0.940 -18.137 1.00 0.00 H new ATOM 925 N ARG A 66 -3.767 3.387 -20.494 1.00 0.00 N ATOM 926 CA ARG A 66 -3.615 4.835 -20.417 1.00 0.00 C ATOM 927 C ARG A 66 -4.910 5.493 -19.950 1.00 0.00 C ATOM 928 O ARG A 66 -5.328 6.518 -20.489 1.00 0.00 O ATOM 929 CB ARG A 66 -3.207 5.399 -21.779 1.00 0.00 C ATOM 930 CG ARG A 66 -1.734 5.208 -22.101 1.00 0.00 C ATOM 931 CD ARG A 66 -1.432 3.770 -22.494 1.00 0.00 C ATOM 932 NE ARG A 66 -0.013 3.452 -22.358 1.00 0.00 N ATOM 933 CZ ARG A 66 0.891 3.708 -23.296 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.527 4.284 -24.433 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.164 3.388 -23.098 1.00 0.00 N ATOM 0 H ARG A 66 -3.096 2.862 -19.932 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.833 5.055 -19.691 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.805 4.920 -22.555 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.441 6.463 -21.807 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.448 5.876 -22.913 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.132 5.484 -21.235 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.016 3.093 -21.871 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.744 3.603 -23.525 1.00 0.00 H new ATOM 0 HE ARG A 66 0.301 3.009 -21.495 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.450 4.532 -24.589 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.224 4.479 -25.152 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.449 2.945 -22.224 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.858 3.585 -23.819 1.00 0.00 H new ATOM 949 N VAL A 67 -5.542 4.897 -18.944 1.00 0.00 N ATOM 950 CA VAL A 67 -6.789 5.425 -18.403 1.00 0.00 C ATOM 951 C VAL A 67 -6.550 6.158 -17.088 1.00 0.00 C ATOM 952 O VAL A 67 -5.775 5.722 -16.237 1.00 0.00 O ATOM 953 CB VAL A 67 -7.820 4.304 -18.173 1.00 0.00 C ATOM 954 CG1 VAL A 67 -9.084 4.863 -17.538 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.139 3.598 -19.482 1.00 0.00 C ATOM 0 H VAL A 67 -5.211 4.048 -18.487 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.183 6.125 -19.140 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.390 3.574 -17.487 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.801 4.056 -17.383 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.838 5.319 -16.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.520 5.614 -18.196 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.869 2.809 -19.301 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.549 4.316 -20.192 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.228 3.162 -19.892 1.00 0.00 H new ATOM 965 N PRO A 68 -7.233 7.300 -16.915 1.00 0.00 N ATOM 966 CA PRO A 68 -7.113 8.119 -15.705 1.00 0.00 C ATOM 967 C PRO A 68 -7.737 7.447 -14.486 1.00 0.00 C ATOM 968 O PRO A 68 -8.960 7.377 -14.362 1.00 0.00 O ATOM 969 CB PRO A 68 -7.879 9.395 -16.063 1.00 0.00 C ATOM 970 CG PRO A 68 -8.853 8.971 -17.108 1.00 0.00 C ATOM 971 CD PRO A 68 -8.175 7.879 -17.888 1.00 0.00 C ATOM 0 HA PRO A 68 -6.072 8.293 -15.432 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.388 9.809 -15.192 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.208 10.168 -16.438 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.778 8.612 -16.657 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.118 9.806 -17.756 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.889 7.138 -18.246 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.658 8.272 -18.763 1.00 0.00 H new ATOM 979 N TYR A 69 -6.889 6.954 -13.590 1.00 0.00 N ATOM 980 CA TYR A 69 -7.358 6.285 -12.382 1.00 0.00 C ATOM 981 C TYR A 69 -6.820 6.977 -11.133 1.00 0.00 C ATOM 982 O TYR A 69 -5.748 7.583 -11.141 1.00 0.00 O ATOM 983 CB TYR A 69 -6.931 4.816 -12.388 1.00 0.00 C ATOM 984 CG TYR A 69 -5.437 4.619 -12.260 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.609 4.693 -13.373 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.854 4.360 -11.026 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.244 4.512 -13.261 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.490 4.180 -10.904 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.689 4.256 -12.024 1.00 0.00 C ATOM 990 OH TYR A 69 -1.330 4.078 -11.908 1.00 0.00 O ATOM 0 H TYR A 69 -5.874 7.005 -13.677 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.447 6.340 -12.366 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.429 4.298 -11.568 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.272 4.351 -13.313 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.040 4.895 -14.342 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.478 4.298 -10.147 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.615 4.571 -14.137 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.053 3.981 -9.937 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.986 4.648 -11.189 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.581 6.885 -10.033 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.202 7.495 -8.755 1.00 0.00 C ATOM 1002 C PRO A 70 -6.012 6.794 -8.109 1.00 0.00 C ATOM 1003 O PRO A 70 -5.691 5.654 -8.447 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.456 7.322 -7.894 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.156 6.142 -8.476 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.870 6.178 -9.952 1.00 0.00 C ATOM 0 HA PRO A 70 -6.890 8.533 -8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.198 7.153 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.085 8.212 -7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.795 5.215 -8.031 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.228 6.191 -8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.805 5.175 -10.373 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.652 6.704 -10.500 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.360 7.482 -7.177 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.204 6.925 -6.484 1.00 0.00 C ATOM 1016 C PHE A 71 -4.612 6.327 -5.141 1.00 0.00 C ATOM 1017 O PHE A 71 -4.336 5.162 -4.858 1.00 0.00 O ATOM 1018 CB PHE A 71 -3.141 8.005 -6.273 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.834 7.468 -5.762 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.142 6.502 -6.474 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.299 7.929 -4.571 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.061 6.006 -6.007 1.00 0.00 C ATOM 1023 CE2 PHE A 71 -0.096 7.437 -4.099 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.584 6.473 -4.818 1.00 0.00 C ATOM 0 H PHE A 71 -5.613 8.426 -6.884 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.787 6.131 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.968 8.523 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.521 8.745 -5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.547 6.132 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.827 8.681 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.591 5.254 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.312 7.806 -3.169 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.523 6.086 -4.451 1.00 0.00 H new ATOM 1034 N GLY A 72 -5.271 7.135 -4.315 1.00 0.00 N ATOM 1035 CA GLY A 72 -5.705 6.669 -3.011 1.00 0.00 C ATOM 1036 C GLY A 72 -6.941 5.795 -3.090 1.00 0.00 C ATOM 1037 O GLY A 72 -7.883 5.970 -2.318 1.00 0.00 O ATOM 0 H GLY A 72 -5.512 8.103 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.897 6.108 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.911 7.527 -2.372 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.939 4.853 -4.028 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.070 3.950 -4.206 1.00 0.00 C ATOM 1043 C ASN A 73 -7.595 2.509 -4.370 1.00 0.00 C ATOM 1044 O ASN A 73 -8.151 1.589 -3.769 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.896 4.368 -5.424 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.535 5.732 -5.249 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -8.906 6.666 -4.752 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.793 5.853 -5.659 1.00 0.00 N ATOM 0 H ASN A 73 -6.167 4.695 -4.676 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.694 4.009 -3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.256 4.380 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.674 3.626 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.275 6.747 -5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.276 5.052 -6.065 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.564 2.321 -5.185 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.012 0.992 -5.428 1.00 0.00 C ATOM 1057 C LEU A 74 -6.142 0.115 -4.187 1.00 0.00 C ATOM 1058 O LEU A 74 -6.088 0.604 -3.058 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.544 1.096 -5.842 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.246 2.002 -7.037 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.746 2.182 -7.210 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.867 1.434 -8.305 1.00 0.00 C ATOM 0 H LEU A 74 -6.093 3.072 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.579 0.532 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.971 1.455 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.180 0.094 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.688 2.980 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.554 2.830 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.328 2.634 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.280 1.211 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.645 2.092 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.455 0.444 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.947 1.359 -8.179 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.311 -1.185 -4.403 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.444 -2.134 -3.304 1.00 0.00 C ATOM 1076 C LYS A 75 -5.392 -3.234 -3.404 1.00 0.00 C ATOM 1077 O LYS A 75 -4.980 -3.635 -4.493 1.00 0.00 O ATOM 1078 CB LYS A 75 -7.844 -2.751 -3.302 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.960 -1.725 -3.203 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.247 -2.239 -3.826 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.886 -3.324 -2.972 1.00 0.00 C ATOM 1082 NZ LYS A 75 -10.217 -4.642 -3.158 1.00 0.00 N ATOM 0 H LYS A 75 -6.359 -1.606 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.291 -1.593 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.977 -3.333 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.925 -3.445 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.135 -1.477 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.655 -0.805 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.947 -1.413 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.039 -2.633 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.836 -3.036 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.942 -3.413 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.935 -5.393 -3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.676 -4.634 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.572 -4.820 -2.361 1.00 0.00 H new ATOM 1096 N PRO A 76 -4.948 -3.737 -2.242 1.00 0.00 N ATOM 1097 CA PRO A 76 -3.940 -4.799 -2.174 1.00 0.00 C ATOM 1098 C PRO A 76 -4.478 -6.140 -2.660 1.00 0.00 C ATOM 1099 O PRO A 76 -5.365 -6.726 -2.041 1.00 0.00 O ATOM 1100 CB PRO A 76 -3.600 -4.869 -0.683 1.00 0.00 C ATOM 1101 CG PRO A 76 -4.813 -4.348 0.008 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.395 -3.306 -0.907 1.00 0.00 C ATOM 0 HA PRO A 76 -3.082 -4.588 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.378 -5.891 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.722 -4.267 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.530 -5.148 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.556 -3.918 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.482 -3.273 -0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.030 -2.308 -0.664 1.00 0.00 H new