USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 837 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 68 GLN : amide:sc= 0.648 K(o=0.0014,f=-1.5) USER MOD Set 1.2: A 73 CYS SG : rot -110:sc= -0.647 USER MOD Set 2.1: A 41 CYS SG : rot 160:sc= -0.175 USER MOD Set 2.2: A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.21 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -178:sc= -0.213 (180deg=-0.227) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -34:sc= -0.332 USER MOD Single : A 28 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -165:sc= 0 (180deg=-0.272) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0.0493 (180deg=0.00814) USER MOD Single : A 55 HIS : no HE2:sc= 0.0631 K(o=0.063,f=-0.78) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 64 HIS : no HD1:sc= -0.982 K(o=-0.98,f=-1.9) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00163 X(o=-0.0016,f=-0.024) USER MOD Single : A 88 TYR OH : rot -38:sc= -0.101 USER MOD Single : A 91 MET CE :methyl -174:sc= -0.478 (180deg=-0.573) USER MOD Single : A 92 CYS SG : rot 52:sc= -1.31 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0793) USER MOD Single : A 97 THR OG1 : rot 110:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 174:sc= -0.691 (180deg=-0.743) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 156:sc= -0.088 (180deg=-0.832) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.719 47.614 -19.187 1.00 0.00 N ATOM 2 CA GLY A 1 18.947 47.254 -18.503 1.00 0.00 C ATOM 3 C GLY A 1 20.137 47.195 -19.440 1.00 0.00 C ATOM 4 O GLY A 1 20.882 48.167 -19.571 1.00 0.00 O ATOM 0 H1 GLY A 1 16.936 47.641 -18.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.828 48.551 -19.626 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.512 46.909 -19.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.146 47.979 -17.714 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.820 46.285 -18.021 1.00 0.00 H new ATOM 8 N SER A 2 20.318 46.052 -20.093 1.00 0.00 N ATOM 9 CA SER A 2 21.430 45.868 -21.019 1.00 0.00 C ATOM 10 C SER A 2 22.762 46.151 -20.331 1.00 0.00 C ATOM 11 O SER A 2 23.626 46.832 -20.884 1.00 0.00 O ATOM 12 CB SER A 2 21.266 46.783 -22.234 1.00 0.00 C ATOM 13 OG SER A 2 20.106 46.445 -22.974 1.00 0.00 O ATOM 0 H SER A 2 19.709 45.239 -19.998 1.00 0.00 H new ATOM 0 HA SER A 2 21.426 44.830 -21.352 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.202 47.820 -21.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.145 46.704 -22.874 1.00 0.00 H new ATOM 0 HG SER A 2 20.023 47.045 -23.744 1.00 0.00 H new ATOM 19 N SER A 3 22.921 45.623 -19.122 1.00 0.00 N ATOM 20 CA SER A 3 24.145 45.821 -18.356 1.00 0.00 C ATOM 21 C SER A 3 24.218 44.845 -17.186 1.00 0.00 C ATOM 22 O SER A 3 23.220 44.590 -16.513 1.00 0.00 O ATOM 23 CB SER A 3 24.222 47.260 -17.840 1.00 0.00 C ATOM 24 OG SER A 3 25.564 47.713 -17.791 1.00 0.00 O ATOM 0 H SER A 3 22.217 45.054 -18.652 1.00 0.00 H new ATOM 0 HA SER A 3 24.992 45.633 -19.016 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.638 47.914 -18.488 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.779 47.317 -16.846 1.00 0.00 H new ATOM 0 HG SER A 3 25.586 48.635 -17.460 1.00 0.00 H new ATOM 30 N GLY A 4 25.408 44.302 -16.949 1.00 0.00 N ATOM 31 CA GLY A 4 25.591 43.359 -15.861 1.00 0.00 C ATOM 32 C GLY A 4 25.330 43.983 -14.504 1.00 0.00 C ATOM 33 O GLY A 4 26.212 44.618 -13.925 1.00 0.00 O ATOM 0 H GLY A 4 26.249 44.498 -17.491 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.921 42.511 -16.003 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.609 42.970 -15.889 1.00 0.00 H new ATOM 37 N SER A 5 24.115 43.804 -13.996 1.00 0.00 N ATOM 38 CA SER A 5 23.738 44.359 -12.701 1.00 0.00 C ATOM 39 C SER A 5 22.650 43.515 -12.044 1.00 0.00 C ATOM 40 O SER A 5 22.041 42.659 -12.685 1.00 0.00 O ATOM 41 CB SER A 5 23.254 45.801 -12.862 1.00 0.00 C ATOM 42 OG SER A 5 22.886 46.358 -11.612 1.00 0.00 O ATOM 0 H SER A 5 23.375 43.279 -14.461 1.00 0.00 H new ATOM 0 HA SER A 5 24.619 44.349 -12.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.041 46.404 -13.315 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.402 45.828 -13.541 1.00 0.00 H new ATOM 0 HG SER A 5 22.582 47.281 -11.742 1.00 0.00 H new ATOM 48 N SER A 6 22.412 43.763 -10.760 1.00 0.00 N ATOM 49 CA SER A 6 21.401 43.024 -10.014 1.00 0.00 C ATOM 50 C SER A 6 19.997 43.409 -10.473 1.00 0.00 C ATOM 51 O SER A 6 19.829 44.107 -11.472 1.00 0.00 O ATOM 52 CB SER A 6 21.549 43.288 -8.514 1.00 0.00 C ATOM 53 OG SER A 6 21.645 42.074 -7.789 1.00 0.00 O ATOM 0 H SER A 6 22.906 44.470 -10.215 1.00 0.00 H new ATOM 0 HA SER A 6 21.549 41.961 -10.205 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.437 43.894 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.694 43.862 -8.157 1.00 0.00 H new ATOM 0 HG SER A 6 21.741 42.270 -6.834 1.00 0.00 H new ATOM 59 N GLY A 7 18.992 42.948 -9.735 1.00 0.00 N ATOM 60 CA GLY A 7 17.617 43.253 -10.081 1.00 0.00 C ATOM 61 C GLY A 7 16.696 43.225 -8.877 1.00 0.00 C ATOM 62 O GLY A 7 17.149 43.064 -7.744 1.00 0.00 O ATOM 0 H GLY A 7 19.106 42.369 -8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.572 44.238 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.264 42.535 -10.821 1.00 0.00 H new ATOM 66 N ARG A 8 15.399 43.385 -9.122 1.00 0.00 N ATOM 67 CA ARG A 8 14.413 43.380 -8.048 1.00 0.00 C ATOM 68 C ARG A 8 13.512 42.152 -8.143 1.00 0.00 C ATOM 69 O ARG A 8 13.622 41.358 -9.078 1.00 0.00 O ATOM 70 CB ARG A 8 13.565 44.653 -8.100 1.00 0.00 C ATOM 71 CG ARG A 8 13.503 45.397 -6.776 1.00 0.00 C ATOM 72 CD ARG A 8 13.303 46.890 -6.985 1.00 0.00 C ATOM 73 NE ARG A 8 12.157 47.173 -7.846 1.00 0.00 N ATOM 74 CZ ARG A 8 10.895 47.006 -7.468 1.00 0.00 C ATOM 75 NH1 ARG A 8 10.617 46.559 -6.251 1.00 0.00 N ATOM 76 NH2 ARG A 8 9.907 47.286 -8.308 1.00 0.00 N ATOM 0 H ARG A 8 15.007 43.520 -10.054 1.00 0.00 H new ATOM 0 HA ARG A 8 14.947 43.345 -7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.970 45.318 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.553 44.393 -8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.687 45.000 -6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.424 45.227 -6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.160 47.375 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.203 47.318 -7.427 1.00 0.00 H new ATOM 0 HE ARG A 8 12.336 47.518 -8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.374 46.342 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.647 46.432 -5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.116 47.630 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.938 47.157 -8.017 1.00 0.00 H new ATOM 90 N THR A 9 12.620 42.002 -7.168 1.00 0.00 N ATOM 91 CA THR A 9 11.702 40.870 -7.140 1.00 0.00 C ATOM 92 C THR A 9 10.892 40.788 -8.429 1.00 0.00 C ATOM 93 O THR A 9 10.904 41.713 -9.242 1.00 0.00 O ATOM 94 CB THR A 9 10.735 40.961 -5.945 1.00 0.00 C ATOM 95 OG1 THR A 9 10.046 42.216 -5.966 1.00 0.00 O ATOM 96 CG2 THR A 9 11.486 40.812 -4.630 1.00 0.00 C ATOM 0 H THR A 9 12.514 42.650 -6.388 1.00 0.00 H new ATOM 0 HA THR A 9 12.311 39.971 -7.038 1.00 0.00 H new ATOM 0 HB THR A 9 10.012 40.149 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.432 42.265 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.783 40.880 -3.800 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.986 39.844 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.228 41.606 -4.543 1.00 0.00 H new ATOM 104 N SER A 10 10.188 39.675 -8.610 1.00 0.00 N ATOM 105 CA SER A 10 9.374 39.471 -9.802 1.00 0.00 C ATOM 106 C SER A 10 7.929 39.155 -9.426 1.00 0.00 C ATOM 107 O SER A 10 6.995 39.778 -9.930 1.00 0.00 O ATOM 108 CB SER A 10 9.951 38.337 -10.652 1.00 0.00 C ATOM 109 OG SER A 10 10.932 37.610 -9.933 1.00 0.00 O ATOM 0 H SER A 10 10.165 38.901 -7.946 1.00 0.00 H new ATOM 0 HA SER A 10 9.387 40.393 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.150 37.666 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.391 38.747 -11.561 1.00 0.00 H new ATOM 0 HG SER A 10 11.284 36.890 -10.497 1.00 0.00 H new ATOM 115 N ALA A 11 7.755 38.183 -8.537 1.00 0.00 N ATOM 116 CA ALA A 11 6.425 37.785 -8.091 1.00 0.00 C ATOM 117 C ALA A 11 6.507 36.834 -6.902 1.00 0.00 C ATOM 118 O ALA A 11 7.588 36.371 -6.539 1.00 0.00 O ATOM 119 CB ALA A 11 5.657 37.139 -9.234 1.00 0.00 C ATOM 0 H ALA A 11 8.518 37.657 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 11 5.893 38.681 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.666 36.847 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.559 37.850 -10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.195 36.257 -9.581 1.00 0.00 H new ATOM 125 N MET A 12 5.358 36.549 -6.298 1.00 0.00 N ATOM 126 CA MET A 12 5.300 35.652 -5.149 1.00 0.00 C ATOM 127 C MET A 12 4.395 34.459 -5.436 1.00 0.00 C ATOM 128 O MET A 12 3.289 34.363 -4.902 1.00 0.00 O ATOM 129 CB MET A 12 4.798 36.403 -3.914 1.00 0.00 C ATOM 130 CG MET A 12 3.545 37.224 -4.170 1.00 0.00 C ATOM 131 SD MET A 12 3.828 38.996 -3.995 1.00 0.00 S ATOM 132 CE MET A 12 3.577 39.547 -5.681 1.00 0.00 C ATOM 0 H MET A 12 4.455 36.926 -6.585 1.00 0.00 H new ATOM 0 HA MET A 12 6.307 35.283 -4.956 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.596 35.685 -3.119 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.588 37.063 -3.554 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.178 37.016 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.764 36.914 -3.475 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.753 40.621 -5.743 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.271 39.027 -6.341 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.554 39.329 -5.987 1.00 0.00 H new ATOM 142 N LEU A 13 4.870 33.551 -6.281 1.00 0.00 N ATOM 143 CA LEU A 13 4.103 32.363 -6.639 1.00 0.00 C ATOM 144 C LEU A 13 3.708 31.574 -5.394 1.00 0.00 C ATOM 145 O LEU A 13 4.293 31.747 -4.324 1.00 0.00 O ATOM 146 CB LEU A 13 4.913 31.474 -7.584 1.00 0.00 C ATOM 147 CG LEU A 13 4.667 31.683 -9.078 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.124 33.070 -9.505 1.00 0.00 C ATOM 149 CD2 LEU A 13 5.379 30.612 -9.891 1.00 0.00 C ATOM 0 H LEU A 13 5.783 33.615 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 13 3.194 32.687 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.972 31.636 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.699 30.433 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 13 3.596 31.601 -9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.941 33.201 -10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.569 33.824 -8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.190 33.180 -9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.193 30.777 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.451 30.662 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.004 29.629 -9.605 1.00 0.00 H new ATOM 161 N THR A 14 2.712 30.706 -5.541 1.00 0.00 N ATOM 162 CA THR A 14 2.240 29.890 -4.430 1.00 0.00 C ATOM 163 C THR A 14 1.739 30.760 -3.283 1.00 0.00 C ATOM 164 O THR A 14 2.528 31.258 -2.479 1.00 0.00 O ATOM 165 CB THR A 14 3.348 28.957 -3.906 1.00 0.00 C ATOM 166 OG1 THR A 14 4.443 28.932 -4.829 1.00 0.00 O ATOM 167 CG2 THR A 14 2.817 27.546 -3.703 1.00 0.00 C ATOM 0 H THR A 14 2.217 30.550 -6.419 1.00 0.00 H new ATOM 0 HA THR A 14 1.417 29.285 -4.810 1.00 0.00 H new ATOM 0 HB THR A 14 3.691 29.340 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.144 28.338 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.618 26.906 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.003 27.564 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.450 27.155 -4.652 1.00 0.00 H new ATOM 175 N VAL A 15 0.424 30.939 -3.211 1.00 0.00 N ATOM 176 CA VAL A 15 -0.182 31.747 -2.160 1.00 0.00 C ATOM 177 C VAL A 15 0.085 31.149 -0.784 1.00 0.00 C ATOM 178 O VAL A 15 0.822 31.721 0.020 1.00 0.00 O ATOM 179 CB VAL A 15 -1.702 31.883 -2.363 1.00 0.00 C ATOM 180 CG1 VAL A 15 -2.315 32.731 -1.259 1.00 0.00 C ATOM 181 CG2 VAL A 15 -2.007 32.474 -3.731 1.00 0.00 C ATOM 0 H VAL A 15 -0.243 30.535 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 15 0.274 32.735 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.147 30.889 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.390 32.816 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.128 32.261 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.867 33.724 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.086 32.563 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.550 33.460 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.604 31.823 -4.507 1.00 0.00 H new ATOM 191 N ARG A 16 -0.518 29.995 -0.519 1.00 0.00 N ATOM 192 CA ARG A 16 -0.345 29.319 0.761 1.00 0.00 C ATOM 193 C ARG A 16 0.092 27.871 0.557 1.00 0.00 C ATOM 194 O ARG A 16 1.165 27.468 1.003 1.00 0.00 O ATOM 195 CB ARG A 16 -1.647 29.362 1.564 1.00 0.00 C ATOM 196 CG ARG A 16 -1.926 30.714 2.200 1.00 0.00 C ATOM 197 CD ARG A 16 -1.184 30.874 3.518 1.00 0.00 C ATOM 198 NE ARG A 16 -1.939 31.673 4.478 1.00 0.00 N ATOM 199 CZ ARG A 16 -1.427 32.134 5.614 1.00 0.00 C ATOM 200 NH1 ARG A 16 -0.165 31.878 5.928 1.00 0.00 N ATOM 201 NH2 ARG A 16 -2.178 32.855 6.437 1.00 0.00 N ATOM 0 H ARG A 16 -1.131 29.509 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 16 0.434 29.840 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.477 29.100 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.607 28.604 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.628 31.508 1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.997 30.824 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.984 29.890 3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.218 31.345 3.335 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.913 31.889 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.416 31.326 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.226 32.233 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.149 33.056 6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.784 33.209 7.309 1.00 0.00 H new ATOM 215 N ALA A 17 -0.749 27.095 -0.119 1.00 0.00 N ATOM 216 CA ALA A 17 -0.449 25.693 -0.383 1.00 0.00 C ATOM 217 C ALA A 17 -1.215 25.188 -1.601 1.00 0.00 C ATOM 218 O ALA A 17 -1.820 25.970 -2.335 1.00 0.00 O ATOM 219 CB ALA A 17 -0.775 24.845 0.837 1.00 0.00 C ATOM 0 H ALA A 17 -1.643 27.413 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 17 0.617 25.609 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.546 23.800 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.179 25.183 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.834 24.943 1.076 1.00 0.00 H new ATOM 225 N LEU A 18 -1.183 23.877 -1.812 1.00 0.00 N ATOM 226 CA LEU A 18 -1.874 23.267 -2.942 1.00 0.00 C ATOM 227 C LEU A 18 -2.175 21.797 -2.668 1.00 0.00 C ATOM 228 O LEU A 18 -1.543 21.155 -1.829 1.00 0.00 O ATOM 229 CB LEU A 18 -1.032 23.399 -4.212 1.00 0.00 C ATOM 230 CG LEU A 18 0.480 23.260 -4.031 1.00 0.00 C ATOM 231 CD1 LEU A 18 1.056 22.301 -5.062 1.00 0.00 C ATOM 232 CD2 LEU A 18 1.156 24.620 -4.130 1.00 0.00 C ATOM 0 H LEU A 18 -0.686 23.216 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.819 23.792 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.364 22.643 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.236 24.371 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 18 0.671 22.852 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.133 22.215 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.595 21.320 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.854 22.679 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.232 24.502 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.955 25.056 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.766 25.278 -3.353 1.00 0.00 H new ATOM 244 N PRO A 19 -3.161 21.249 -3.393 1.00 0.00 N ATOM 245 CA PRO A 19 -3.566 19.847 -3.248 1.00 0.00 C ATOM 246 C PRO A 19 -2.509 18.881 -3.774 1.00 0.00 C ATOM 247 O PRO A 19 -1.479 19.301 -4.301 1.00 0.00 O ATOM 248 CB PRO A 19 -4.840 19.757 -4.091 1.00 0.00 C ATOM 249 CG PRO A 19 -4.706 20.847 -5.098 1.00 0.00 C ATOM 250 CD PRO A 19 -3.957 21.955 -4.412 1.00 0.00 C ATOM 0 HA PRO A 19 -3.709 19.570 -2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.929 18.783 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.731 19.892 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.167 20.500 -5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.684 21.188 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.323 22.503 -5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.635 22.680 -3.961 1.00 0.00 H new ATOM 258 N ILE A 20 -2.773 17.587 -3.628 1.00 0.00 N ATOM 259 CA ILE A 20 -1.845 16.562 -4.090 1.00 0.00 C ATOM 260 C ILE A 20 -2.552 15.536 -4.968 1.00 0.00 C ATOM 261 O ILE A 20 -3.706 15.182 -4.723 1.00 0.00 O ATOM 262 CB ILE A 20 -1.174 15.836 -2.909 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.433 16.838 -2.021 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.221 14.765 -3.418 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.040 16.249 -0.711 1.00 0.00 C ATOM 0 H ILE A 20 -3.621 17.224 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.079 17.071 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.947 15.352 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.426 17.228 -2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.090 17.683 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.245 14.261 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.774 14.039 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.550 15.227 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.557 17.015 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.817 15.884 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.722 15.422 -0.909 1.00 0.00 H new ATOM 277 N LYS A 21 -1.853 15.058 -5.992 1.00 0.00 N ATOM 278 CA LYS A 21 -2.411 14.069 -6.906 1.00 0.00 C ATOM 279 C LYS A 21 -1.407 12.954 -7.181 1.00 0.00 C ATOM 280 O LYS A 21 -0.304 12.950 -6.634 1.00 0.00 O ATOM 281 CB LYS A 21 -2.824 14.735 -8.220 1.00 0.00 C ATOM 282 CG LYS A 21 -3.975 15.714 -8.071 1.00 0.00 C ATOM 283 CD LYS A 21 -4.728 15.893 -9.379 1.00 0.00 C ATOM 284 CE LYS A 21 -5.264 17.309 -9.524 1.00 0.00 C ATOM 285 NZ LYS A 21 -6.747 17.329 -9.657 1.00 0.00 N ATOM 0 H LYS A 21 -0.897 15.340 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.292 13.632 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.964 15.259 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.105 13.963 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.660 15.357 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.593 16.678 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.066 15.666 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.554 15.184 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.969 17.900 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.814 17.780 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.074 18.312 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.027 16.787 -10.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.177 16.903 -8.811 1.00 0.00 H new ATOM 299 N PHE A 22 -1.795 12.012 -8.033 1.00 0.00 N ATOM 300 CA PHE A 22 -0.928 10.892 -8.382 1.00 0.00 C ATOM 301 C PHE A 22 -0.328 11.081 -9.772 1.00 0.00 C ATOM 302 O PHE A 22 -1.039 11.053 -10.777 1.00 0.00 O ATOM 303 CB PHE A 22 -1.709 9.578 -8.325 1.00 0.00 C ATOM 304 CG PHE A 22 -1.534 8.831 -7.033 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.356 9.094 -5.949 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.548 7.867 -6.903 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.197 8.409 -4.759 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.385 7.178 -5.716 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.210 7.450 -4.643 1.00 0.00 C ATOM 0 H PHE A 22 -2.704 12.001 -8.495 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.115 10.855 -7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.768 9.788 -8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.392 8.940 -9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.130 9.843 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.101 7.651 -7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.844 8.623 -3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.387 6.428 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.084 6.914 -3.714 1.00 0.00 H new ATOM 319 N THR A 23 0.987 11.273 -9.821 1.00 0.00 N ATOM 320 CA THR A 23 1.683 11.469 -11.086 1.00 0.00 C ATOM 321 C THR A 23 1.916 10.140 -11.796 1.00 0.00 C ATOM 322 O THR A 23 1.996 10.088 -13.023 1.00 0.00 O ATOM 323 CB THR A 23 3.038 12.172 -10.879 1.00 0.00 C ATOM 324 OG1 THR A 23 3.964 11.277 -10.253 1.00 0.00 O ATOM 325 CG2 THR A 23 2.875 13.420 -10.025 1.00 0.00 C ATOM 0 H THR A 23 1.591 11.297 -8.999 1.00 0.00 H new ATOM 0 HA THR A 23 1.045 12.101 -11.703 1.00 0.00 H new ATOM 0 HB THR A 23 3.422 12.467 -11.856 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.483 10.687 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.845 13.899 -9.892 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.193 14.112 -10.518 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.471 13.144 -9.051 1.00 0.00 H new ATOM 333 N GLU A 24 2.025 9.069 -11.017 1.00 0.00 N ATOM 334 CA GLU A 24 2.249 7.740 -11.573 1.00 0.00 C ATOM 335 C GLU A 24 1.658 6.664 -10.667 1.00 0.00 C ATOM 336 O GLU A 24 2.382 5.973 -9.951 1.00 0.00 O ATOM 337 CB GLU A 24 3.746 7.491 -11.770 1.00 0.00 C ATOM 338 CG GLU A 24 4.261 7.923 -13.132 1.00 0.00 C ATOM 339 CD GLU A 24 5.170 6.889 -13.768 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.335 6.775 -13.335 1.00 0.00 O ATOM 341 OE2 GLU A 24 4.714 6.192 -14.698 1.00 0.00 O ATOM 0 H GLU A 24 1.962 9.096 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 24 1.749 7.690 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.299 8.023 -10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.950 6.429 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.415 8.113 -13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.803 8.863 -13.030 1.00 0.00 H new ATOM 348 N GLY A 25 0.336 6.528 -10.703 1.00 0.00 N ATOM 349 CA GLY A 25 -0.331 5.536 -9.880 1.00 0.00 C ATOM 350 C GLY A 25 0.233 4.143 -10.081 1.00 0.00 C ATOM 351 O GLY A 25 1.046 3.917 -10.978 1.00 0.00 O ATOM 0 H GLY A 25 -0.285 7.087 -11.288 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.236 5.815 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.396 5.531 -10.113 1.00 0.00 H new ATOM 355 N LEU A 26 -0.197 3.206 -9.243 1.00 0.00 N ATOM 356 CA LEU A 26 0.272 1.828 -9.330 1.00 0.00 C ATOM 357 C LEU A 26 -0.009 1.244 -10.711 1.00 0.00 C ATOM 358 O LEU A 26 -0.905 1.703 -11.419 1.00 0.00 O ATOM 359 CB LEU A 26 -0.399 0.971 -8.255 1.00 0.00 C ATOM 360 CG LEU A 26 -0.238 1.455 -6.814 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.377 0.940 -5.948 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.105 1.013 -6.250 1.00 0.00 C ATOM 0 H LEU A 26 -0.870 3.376 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 26 1.350 1.826 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.464 0.910 -8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.000 -0.041 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.270 2.545 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.246 1.294 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.326 1.306 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.377 -0.150 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.203 1.366 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.166 -0.075 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.909 1.431 -6.855 1.00 0.00 H new ATOM 374 N ARG A 27 0.761 0.228 -11.086 1.00 0.00 N ATOM 375 CA ARG A 27 0.594 -0.420 -12.382 1.00 0.00 C ATOM 376 C ARG A 27 0.561 -1.938 -12.231 1.00 0.00 C ATOM 377 O ARG A 27 1.073 -2.485 -11.255 1.00 0.00 O ATOM 378 CB ARG A 27 1.725 -0.015 -13.328 1.00 0.00 C ATOM 379 CG ARG A 27 3.066 -0.640 -12.977 1.00 0.00 C ATOM 380 CD ARG A 27 4.167 0.406 -12.909 1.00 0.00 C ATOM 381 NE ARG A 27 5.476 -0.193 -12.660 1.00 0.00 N ATOM 382 CZ ARG A 27 6.222 -0.750 -13.608 1.00 0.00 C ATOM 383 NH1 ARG A 27 5.790 -0.783 -14.862 1.00 0.00 N ATOM 384 NH2 ARG A 27 7.402 -1.274 -13.304 1.00 0.00 N ATOM 0 H ARG A 27 1.507 -0.164 -10.511 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.357 -0.094 -12.803 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.456 -0.300 -14.345 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.825 1.070 -13.317 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.990 -1.153 -12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.324 -1.393 -13.722 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.196 0.964 -13.845 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.939 1.121 -12.119 1.00 0.00 H new ATOM 0 HE ARG A 27 5.837 -0.183 -11.706 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.884 -0.380 -15.100 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.364 -1.211 -15.588 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.738 -1.250 -12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.973 -1.701 -14.033 1.00 0.00 H new ATOM 398 N ASN A 28 -0.044 -2.612 -13.203 1.00 0.00 N ATOM 399 CA ASN A 28 -0.144 -4.066 -13.178 1.00 0.00 C ATOM 400 C ASN A 28 1.233 -4.704 -13.020 1.00 0.00 C ATOM 401 O ASN A 28 2.059 -4.653 -13.931 1.00 0.00 O ATOM 402 CB ASN A 28 -0.810 -4.575 -14.458 1.00 0.00 C ATOM 403 CG ASN A 28 -2.222 -4.046 -14.625 1.00 0.00 C ATOM 404 OD1 ASN A 28 -3.136 -4.446 -13.904 1.00 0.00 O ATOM 405 ND2 ASN A 28 -2.405 -3.141 -15.580 1.00 0.00 N ATOM 0 H ASN A 28 -0.473 -2.174 -14.018 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.756 -4.348 -12.321 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.210 -4.279 -15.319 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.832 -5.665 -14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.333 -2.748 -15.739 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.618 -2.839 -16.154 1.00 0.00 H new ATOM 412 N GLU A 29 1.472 -5.303 -11.858 1.00 0.00 N ATOM 413 CA GLU A 29 2.749 -5.950 -11.581 1.00 0.00 C ATOM 414 C GLU A 29 2.583 -7.464 -11.488 1.00 0.00 C ATOM 415 O GLU A 29 1.700 -7.959 -10.789 1.00 0.00 O ATOM 416 CB GLU A 29 3.349 -5.410 -10.281 1.00 0.00 C ATOM 417 CG GLU A 29 4.604 -6.144 -9.839 1.00 0.00 C ATOM 418 CD GLU A 29 5.786 -5.214 -9.646 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.731 -4.367 -8.731 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.766 -5.333 -10.411 1.00 0.00 O ATOM 0 H GLU A 29 0.799 -5.354 -11.094 1.00 0.00 H new ATOM 0 HA GLU A 29 3.427 -5.726 -12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.583 -4.353 -10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.602 -5.477 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.403 -6.669 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.859 -6.900 -10.582 1.00 0.00 H new ATOM 427 N GLU A 30 3.440 -8.192 -12.197 1.00 0.00 N ATOM 428 CA GLU A 30 3.387 -9.650 -12.195 1.00 0.00 C ATOM 429 C GLU A 30 4.679 -10.240 -11.638 1.00 0.00 C ATOM 430 O GLU A 30 5.775 -9.796 -11.980 1.00 0.00 O ATOM 431 CB GLU A 30 3.142 -10.175 -13.611 1.00 0.00 C ATOM 432 CG GLU A 30 3.239 -11.687 -13.724 1.00 0.00 C ATOM 433 CD GLU A 30 2.800 -12.200 -15.082 1.00 0.00 C ATOM 434 OE1 GLU A 30 2.185 -11.422 -15.840 1.00 0.00 O ATOM 435 OE2 GLU A 30 3.073 -13.380 -15.386 1.00 0.00 O ATOM 0 H GLU A 30 4.178 -7.797 -12.779 1.00 0.00 H new ATOM 0 HA GLU A 30 2.561 -9.958 -11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.153 -9.857 -13.941 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.866 -9.721 -14.288 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.268 -11.996 -13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.623 -12.146 -12.950 1.00 0.00 H new ATOM 442 N ALA A 31 4.541 -11.244 -10.777 1.00 0.00 N ATOM 443 CA ALA A 31 5.696 -11.896 -10.174 1.00 0.00 C ATOM 444 C ALA A 31 5.535 -13.413 -10.180 1.00 0.00 C ATOM 445 O ALA A 31 4.461 -13.933 -10.484 1.00 0.00 O ATOM 446 CB ALA A 31 5.906 -11.391 -8.754 1.00 0.00 C ATOM 0 H ALA A 31 3.641 -11.623 -10.482 1.00 0.00 H new ATOM 0 HA ALA A 31 6.574 -11.648 -10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.772 -11.887 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.075 -10.314 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.022 -11.610 -8.156 1.00 0.00 H new ATOM 452 N THR A 32 6.610 -14.119 -9.842 1.00 0.00 N ATOM 453 CA THR A 32 6.589 -15.576 -9.810 1.00 0.00 C ATOM 454 C THR A 32 6.465 -16.093 -8.382 1.00 0.00 C ATOM 455 O THR A 32 6.868 -15.422 -7.432 1.00 0.00 O ATOM 456 CB THR A 32 7.857 -16.170 -10.451 1.00 0.00 C ATOM 457 OG1 THR A 32 8.297 -15.339 -11.531 1.00 0.00 O ATOM 458 CG2 THR A 32 7.595 -17.579 -10.963 1.00 0.00 C ATOM 0 H THR A 32 7.506 -13.705 -9.586 1.00 0.00 H new ATOM 0 HA THR A 32 5.718 -15.892 -10.384 1.00 0.00 H new ATOM 0 HB THR A 32 8.635 -16.215 -9.689 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.105 -15.723 -11.931 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.505 -17.978 -11.412 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.289 -18.217 -10.133 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.803 -17.553 -11.711 1.00 0.00 H new ATOM 466 N GLU A 33 5.904 -17.289 -8.237 1.00 0.00 N ATOM 467 CA GLU A 33 5.727 -17.895 -6.922 1.00 0.00 C ATOM 468 C GLU A 33 7.068 -18.053 -6.211 1.00 0.00 C ATOM 469 O GLU A 33 8.024 -18.583 -6.776 1.00 0.00 O ATOM 470 CB GLU A 33 5.043 -19.258 -7.052 1.00 0.00 C ATOM 471 CG GLU A 33 3.812 -19.407 -6.174 1.00 0.00 C ATOM 472 CD GLU A 33 3.525 -20.851 -5.813 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.879 -21.745 -6.609 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.945 -21.087 -4.731 1.00 0.00 O ATOM 0 H GLU A 33 5.564 -17.857 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 33 5.096 -17.234 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.758 -19.414 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.758 -20.040 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.950 -18.828 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.949 -18.987 -6.690 1.00 0.00 H new ATOM 481 N GLY A 34 7.130 -17.588 -4.967 1.00 0.00 N ATOM 482 CA GLY A 34 8.357 -17.685 -4.199 1.00 0.00 C ATOM 483 C GLY A 34 9.217 -16.443 -4.320 1.00 0.00 C ATOM 484 O GLY A 34 10.038 -16.161 -3.447 1.00 0.00 O ATOM 0 H GLY A 34 6.352 -17.146 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.113 -17.853 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.926 -18.551 -4.537 1.00 0.00 H new ATOM 488 N ALA A 35 9.030 -15.699 -5.405 1.00 0.00 N ATOM 489 CA ALA A 35 9.795 -14.480 -5.636 1.00 0.00 C ATOM 490 C ALA A 35 9.349 -13.365 -4.696 1.00 0.00 C ATOM 491 O ALA A 35 8.533 -13.583 -3.800 1.00 0.00 O ATOM 492 CB ALA A 35 9.657 -14.037 -7.085 1.00 0.00 C ATOM 0 H ALA A 35 8.355 -15.919 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 35 10.844 -14.695 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.233 -13.126 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.031 -14.822 -7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.607 -13.846 -7.309 1.00 0.00 H new ATOM 498 N THR A 36 9.891 -12.169 -4.904 1.00 0.00 N ATOM 499 CA THR A 36 9.551 -11.021 -4.074 1.00 0.00 C ATOM 500 C THR A 36 8.943 -9.899 -4.909 1.00 0.00 C ATOM 501 O THR A 36 9.575 -9.388 -5.833 1.00 0.00 O ATOM 502 CB THR A 36 10.786 -10.479 -3.330 1.00 0.00 C ATOM 503 OG1 THR A 36 11.502 -11.559 -2.719 1.00 0.00 O ATOM 504 CG2 THR A 36 10.379 -9.470 -2.268 1.00 0.00 C ATOM 0 H THR A 36 10.568 -11.971 -5.641 1.00 0.00 H new ATOM 0 HA THR A 36 8.819 -11.366 -3.344 1.00 0.00 H new ATOM 0 HB THR A 36 11.429 -9.980 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.287 -11.207 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.268 -9.102 -1.756 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.859 -8.636 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.717 -9.948 -1.546 1.00 0.00 H new ATOM 512 N ALA A 37 7.713 -9.521 -4.577 1.00 0.00 N ATOM 513 CA ALA A 37 7.021 -8.458 -5.295 1.00 0.00 C ATOM 514 C ALA A 37 7.167 -7.123 -4.573 1.00 0.00 C ATOM 515 O ALA A 37 6.948 -7.031 -3.365 1.00 0.00 O ATOM 516 CB ALA A 37 5.551 -8.808 -5.468 1.00 0.00 C ATOM 0 H ALA A 37 7.175 -9.935 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 37 7.478 -8.361 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.047 -8.005 -6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.462 -9.736 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.089 -8.934 -4.489 1.00 0.00 H new ATOM 522 N VAL A 38 7.540 -6.089 -5.321 1.00 0.00 N ATOM 523 CA VAL A 38 7.715 -4.758 -4.752 1.00 0.00 C ATOM 524 C VAL A 38 7.154 -3.685 -5.679 1.00 0.00 C ATOM 525 O VAL A 38 7.770 -3.336 -6.687 1.00 0.00 O ATOM 526 CB VAL A 38 9.200 -4.456 -4.476 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.354 -3.100 -3.805 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.817 -5.555 -3.624 1.00 0.00 C ATOM 0 H VAL A 38 7.727 -6.148 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 38 7.167 -4.743 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 38 9.730 -4.425 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.410 -2.904 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.951 -2.324 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.812 -3.098 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.866 -5.326 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.286 -5.620 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.741 -6.508 -4.148 1.00 0.00 H new ATOM 538 N LEU A 39 5.982 -3.166 -5.332 1.00 0.00 N ATOM 539 CA LEU A 39 5.336 -2.131 -6.133 1.00 0.00 C ATOM 540 C LEU A 39 5.865 -0.748 -5.765 1.00 0.00 C ATOM 541 O LEU A 39 6.305 -0.521 -4.638 1.00 0.00 O ATOM 542 CB LEU A 39 3.820 -2.179 -5.937 1.00 0.00 C ATOM 543 CG LEU A 39 3.131 -3.481 -6.346 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.174 -3.944 -5.258 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.394 -3.303 -7.666 1.00 0.00 C ATOM 0 H LEU A 39 5.459 -3.444 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 39 5.567 -2.320 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.604 -1.992 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.374 -1.362 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 39 3.895 -4.247 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.693 -4.872 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.727 -4.112 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.415 -3.180 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.910 -4.240 -7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.641 -2.523 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.103 -3.019 -8.443 1.00 0.00 H new ATOM 557 N ARG A 40 5.816 0.172 -6.723 1.00 0.00 N ATOM 558 CA ARG A 40 6.289 1.533 -6.499 1.00 0.00 C ATOM 559 C ARG A 40 5.427 2.539 -7.256 1.00 0.00 C ATOM 560 O ARG A 40 4.994 2.280 -8.379 1.00 0.00 O ATOM 561 CB ARG A 40 7.749 1.666 -6.935 1.00 0.00 C ATOM 562 CG ARG A 40 8.645 0.556 -6.410 1.00 0.00 C ATOM 563 CD ARG A 40 10.062 0.684 -6.947 1.00 0.00 C ATOM 564 NE ARG A 40 10.263 -0.109 -8.157 1.00 0.00 N ATOM 565 CZ ARG A 40 11.301 0.044 -8.972 1.00 0.00 C ATOM 566 NH1 ARG A 40 12.227 0.955 -8.707 1.00 0.00 N ATOM 567 NH2 ARG A 40 11.414 -0.716 -10.054 1.00 0.00 N ATOM 0 H ARG A 40 5.454 -0.000 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 40 6.215 1.746 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.795 1.674 -8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.136 2.626 -6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.663 0.586 -5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.233 -0.412 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.275 1.731 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.770 0.364 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 40 9.568 -0.819 -8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.143 1.540 -7.876 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.023 1.071 -9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.704 -1.418 -10.260 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.211 -0.598 -10.679 1.00 0.00 H new ATOM 581 N CYS A 41 5.181 3.686 -6.633 1.00 0.00 N ATOM 582 CA CYS A 41 4.370 4.731 -7.247 1.00 0.00 C ATOM 583 C CYS A 41 4.996 6.105 -7.029 1.00 0.00 C ATOM 584 O CYS A 41 5.933 6.252 -6.245 1.00 0.00 O ATOM 585 CB CYS A 41 2.952 4.707 -6.675 1.00 0.00 C ATOM 586 SG CYS A 41 2.881 4.836 -4.872 1.00 0.00 S ATOM 0 H CYS A 41 5.532 3.916 -5.703 1.00 0.00 H new ATOM 0 HA CYS A 41 4.325 4.539 -8.319 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.382 5.528 -7.110 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.463 3.782 -6.982 1.00 0.00 H new ATOM 0 HG CYS A 41 1.696 5.230 -4.511 1.00 0.00 H new ATOM 592 N GLU A 42 4.473 7.106 -7.729 1.00 0.00 N ATOM 593 CA GLU A 42 4.983 8.467 -7.613 1.00 0.00 C ATOM 594 C GLU A 42 3.846 9.456 -7.374 1.00 0.00 C ATOM 595 O GLU A 42 2.790 9.369 -8.001 1.00 0.00 O ATOM 596 CB GLU A 42 5.755 8.856 -8.876 1.00 0.00 C ATOM 597 CG GLU A 42 6.880 9.845 -8.621 1.00 0.00 C ATOM 598 CD GLU A 42 7.444 10.428 -9.902 1.00 0.00 C ATOM 599 OE1 GLU A 42 7.572 9.675 -10.890 1.00 0.00 O ATOM 600 OE2 GLU A 42 7.758 11.637 -9.917 1.00 0.00 O ATOM 0 H GLU A 42 3.697 7.000 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 42 5.658 8.503 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.170 7.956 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.061 9.286 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.512 10.653 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.678 9.348 -8.070 1.00 0.00 H new ATOM 607 N LEU A 43 4.069 10.396 -6.462 1.00 0.00 N ATOM 608 CA LEU A 43 3.064 11.403 -6.139 1.00 0.00 C ATOM 609 C LEU A 43 3.517 12.789 -6.587 1.00 0.00 C ATOM 610 O LEU A 43 4.646 12.966 -7.044 1.00 0.00 O ATOM 611 CB LEU A 43 2.783 11.407 -4.635 1.00 0.00 C ATOM 612 CG LEU A 43 1.986 10.217 -4.098 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.327 9.961 -2.639 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.492 10.458 -4.264 1.00 0.00 C ATOM 0 H LEU A 43 4.937 10.482 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 43 2.148 11.151 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.736 11.448 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.243 12.321 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 43 2.258 9.332 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.750 9.111 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.391 9.744 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.084 10.844 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.060 9.602 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.205 11.354 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.260 10.591 -5.321 1.00 0.00 H new ATOM 626 N SER A 44 2.630 13.769 -6.450 1.00 0.00 N ATOM 627 CA SER A 44 2.938 15.139 -6.842 1.00 0.00 C ATOM 628 C SER A 44 3.746 15.846 -5.758 1.00 0.00 C ATOM 629 O SER A 44 4.552 16.730 -6.045 1.00 0.00 O ATOM 630 CB SER A 44 1.648 15.914 -7.120 1.00 0.00 C ATOM 631 OG SER A 44 1.707 16.568 -8.376 1.00 0.00 O ATOM 0 H SER A 44 1.692 13.640 -6.070 1.00 0.00 H new ATOM 0 HA SER A 44 3.537 15.105 -7.752 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.799 15.231 -7.101 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.484 16.648 -6.331 1.00 0.00 H new ATOM 0 HG SER A 44 0.871 17.055 -8.531 1.00 0.00 H new ATOM 637 N LYS A 45 3.524 15.448 -4.510 1.00 0.00 N ATOM 638 CA LYS A 45 4.231 16.040 -3.380 1.00 0.00 C ATOM 639 C LYS A 45 4.362 15.041 -2.236 1.00 0.00 C ATOM 640 O LYS A 45 3.505 14.177 -2.052 1.00 0.00 O ATOM 641 CB LYS A 45 3.500 17.294 -2.895 1.00 0.00 C ATOM 642 CG LYS A 45 4.238 18.043 -1.800 1.00 0.00 C ATOM 643 CD LYS A 45 3.505 19.313 -1.400 1.00 0.00 C ATOM 644 CE LYS A 45 3.261 19.366 0.100 1.00 0.00 C ATOM 645 NZ LYS A 45 2.139 20.282 0.447 1.00 0.00 N ATOM 0 H LYS A 45 2.860 14.717 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 45 5.231 16.316 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.345 17.964 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.514 17.010 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.351 17.397 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.242 18.294 -2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.087 20.182 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.552 19.366 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.039 18.364 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.169 19.697 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.004 20.291 1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.362 21.243 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.267 19.952 -0.013 1.00 0.00 H new ATOM 659 N MET A 46 5.440 15.165 -1.468 1.00 0.00 N ATOM 660 CA MET A 46 5.680 14.274 -0.339 1.00 0.00 C ATOM 661 C MET A 46 4.486 14.263 0.610 1.00 0.00 C ATOM 662 O MET A 46 3.996 15.316 1.017 1.00 0.00 O ATOM 663 CB MET A 46 6.942 14.699 0.414 1.00 0.00 C ATOM 664 CG MET A 46 7.413 13.677 1.436 1.00 0.00 C ATOM 665 SD MET A 46 8.453 14.405 2.718 1.00 0.00 S ATOM 666 CE MET A 46 9.652 15.286 1.721 1.00 0.00 C ATOM 0 H MET A 46 6.161 15.873 -1.607 1.00 0.00 H new ATOM 0 HA MET A 46 5.820 13.265 -0.728 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.742 14.877 -0.305 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.752 15.646 0.920 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.546 13.207 1.900 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.968 12.889 0.927 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.506 15.563 2.339 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.987 14.646 0.905 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.193 16.186 1.311 1.00 0.00 H new ATOM 676 N ALA A 47 4.023 13.067 0.957 1.00 0.00 N ATOM 677 CA ALA A 47 2.887 12.921 1.859 1.00 0.00 C ATOM 678 C ALA A 47 2.700 11.465 2.275 1.00 0.00 C ATOM 679 O ALA A 47 3.188 10.541 1.624 1.00 0.00 O ATOM 680 CB ALA A 47 1.621 13.451 1.204 1.00 0.00 C ATOM 0 H ALA A 47 4.417 12.186 0.628 1.00 0.00 H new ATOM 0 HA ALA A 47 3.090 13.505 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.781 13.335 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.750 14.506 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.423 12.892 0.290 1.00 0.00 H new ATOM 686 N PRO A 48 1.978 11.254 3.385 1.00 0.00 N ATOM 687 CA PRO A 48 1.711 9.913 3.913 1.00 0.00 C ATOM 688 C PRO A 48 0.758 9.120 3.024 1.00 0.00 C ATOM 689 O PRO A 48 -0.122 9.689 2.378 1.00 0.00 O ATOM 690 CB PRO A 48 1.068 10.188 5.274 1.00 0.00 C ATOM 691 CG PRO A 48 0.465 11.544 5.141 1.00 0.00 C ATOM 692 CD PRO A 48 1.367 12.309 4.212 1.00 0.00 C ATOM 0 HA PRO A 48 2.617 9.309 3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.312 9.440 5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.808 10.160 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.547 11.484 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.395 12.037 6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.808 13.022 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.119 12.877 4.759 1.00 0.00 H new ATOM 700 N VAL A 49 0.938 7.804 2.997 1.00 0.00 N ATOM 701 CA VAL A 49 0.093 6.933 2.189 1.00 0.00 C ATOM 702 C VAL A 49 -0.294 5.675 2.958 1.00 0.00 C ATOM 703 O VAL A 49 0.355 5.311 3.939 1.00 0.00 O ATOM 704 CB VAL A 49 0.796 6.525 0.881 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.025 7.741 -0.005 1.00 0.00 C ATOM 706 CG2 VAL A 49 2.110 5.819 1.180 1.00 0.00 C ATOM 0 H VAL A 49 1.662 7.317 3.526 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.806 7.500 1.948 1.00 0.00 H new ATOM 0 HB VAL A 49 0.150 5.830 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.523 7.433 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.067 8.200 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.650 8.462 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.593 5.538 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.764 6.488 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.916 4.924 1.771 1.00 0.00 H new ATOM 716 N GLU A 50 -1.355 5.014 2.506 1.00 0.00 N ATOM 717 CA GLU A 50 -1.828 3.796 3.153 1.00 0.00 C ATOM 718 C GLU A 50 -2.171 2.728 2.118 1.00 0.00 C ATOM 719 O GLU A 50 -2.937 2.975 1.186 1.00 0.00 O ATOM 720 CB GLU A 50 -3.054 4.095 4.019 1.00 0.00 C ATOM 721 CG GLU A 50 -2.739 4.924 5.252 1.00 0.00 C ATOM 722 CD GLU A 50 -2.762 6.415 4.975 1.00 0.00 C ATOM 723 OE1 GLU A 50 -3.771 6.900 4.421 1.00 0.00 O ATOM 724 OE2 GLU A 50 -1.771 7.096 5.311 1.00 0.00 O ATOM 0 H GLU A 50 -1.903 5.301 1.695 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.027 3.418 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.794 4.621 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.507 3.154 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.461 4.693 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.756 4.644 5.632 1.00 0.00 H new ATOM 731 N TRP A 51 -1.599 1.542 2.288 1.00 0.00 N ATOM 732 CA TRP A 51 -1.843 0.436 1.369 1.00 0.00 C ATOM 733 C TRP A 51 -3.022 -0.410 1.836 1.00 0.00 C ATOM 734 O TRP A 51 -3.030 -0.913 2.960 1.00 0.00 O ATOM 735 CB TRP A 51 -0.592 -0.435 1.243 1.00 0.00 C ATOM 736 CG TRP A 51 0.554 0.264 0.576 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.338 1.246 1.110 1.00 0.00 C ATOM 738 CD2 TRP A 51 1.042 0.035 -0.751 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.285 1.641 0.196 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.125 0.913 -0.953 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.672 -0.827 -1.786 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.837 0.952 -2.149 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.380 -0.787 -2.972 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.453 0.097 -3.145 1.00 0.00 C ATOM 0 H TRP A 51 -0.963 1.321 3.054 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.085 0.855 0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.282 -0.759 2.237 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.839 -1.333 0.677 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.230 1.653 2.105 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.992 2.360 0.349 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.153 -1.513 -1.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.664 1.634 -2.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.102 -1.448 -3.779 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.988 0.103 -4.083 1.00 0.00 H new ATOM 755 N TRP A 52 -4.016 -0.563 0.968 1.00 0.00 N ATOM 756 CA TRP A 52 -5.200 -1.349 1.294 1.00 0.00 C ATOM 757 C TRP A 52 -5.271 -2.607 0.436 1.00 0.00 C ATOM 758 O TRP A 52 -4.630 -2.693 -0.612 1.00 0.00 O ATOM 759 CB TRP A 52 -6.464 -0.511 1.096 1.00 0.00 C ATOM 760 CG TRP A 52 -6.658 0.531 2.156 1.00 0.00 C ATOM 761 CD1 TRP A 52 -5.965 1.700 2.294 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.607 0.496 3.228 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.425 2.393 3.387 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.433 1.677 3.976 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.587 -0.416 3.627 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.203 1.966 5.100 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.350 -0.128 4.743 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.155 1.055 5.468 1.00 0.00 C ATOM 0 H TRP A 52 -4.025 -0.153 0.034 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.130 -1.648 2.340 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.420 -0.024 0.122 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.331 -1.172 1.083 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.172 2.031 1.640 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.073 3.295 3.708 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.746 -1.330 3.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.054 2.877 5.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.109 -0.827 5.062 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.769 1.252 6.335 1.00 0.00 H new ATOM 779 N LYS A 53 -6.053 -3.582 0.886 1.00 0.00 N ATOM 780 CA LYS A 53 -6.209 -4.836 0.159 1.00 0.00 C ATOM 781 C LYS A 53 -7.650 -5.332 0.232 1.00 0.00 C ATOM 782 O LYS A 53 -8.040 -5.998 1.190 1.00 0.00 O ATOM 783 CB LYS A 53 -5.264 -5.899 0.725 1.00 0.00 C ATOM 784 CG LYS A 53 -5.085 -7.101 -0.185 1.00 0.00 C ATOM 785 CD LYS A 53 -4.263 -8.190 0.484 1.00 0.00 C ATOM 786 CE LYS A 53 -4.057 -9.380 -0.441 1.00 0.00 C ATOM 787 NZ LYS A 53 -5.165 -10.368 -0.328 1.00 0.00 N ATOM 0 H LYS A 53 -6.589 -3.528 1.752 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.958 -4.654 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.290 -5.446 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.646 -6.237 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.062 -7.499 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.596 -6.790 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.295 -7.786 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.764 -8.518 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.985 -9.031 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.111 -9.866 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.858 -11.280 -0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.420 -10.491 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.992 -10.024 -0.856 1.00 0.00 H new ATOM 801 N GLY A 54 -8.436 -5.003 -0.788 1.00 0.00 N ATOM 802 CA GLY A 54 -9.825 -5.425 -0.821 1.00 0.00 C ATOM 803 C GLY A 54 -10.665 -4.732 0.233 1.00 0.00 C ATOM 804 O GLY A 54 -11.265 -3.688 -0.027 1.00 0.00 O ATOM 0 H GLY A 54 -8.136 -4.452 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.241 -5.218 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.878 -6.504 -0.672 1.00 0.00 H new ATOM 808 N HIS A 55 -10.712 -5.314 1.428 1.00 0.00 N ATOM 809 CA HIS A 55 -11.487 -4.746 2.525 1.00 0.00 C ATOM 810 C HIS A 55 -10.701 -4.802 3.832 1.00 0.00 C ATOM 811 O HIS A 55 -11.256 -5.102 4.888 1.00 0.00 O ATOM 812 CB HIS A 55 -12.812 -5.492 2.681 1.00 0.00 C ATOM 813 CG HIS A 55 -13.908 -4.651 3.260 1.00 0.00 C ATOM 814 ND1 HIS A 55 -14.026 -4.394 4.609 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.938 -4.007 2.664 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.083 -3.629 4.818 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.654 -3.379 3.654 1.00 0.00 N ATOM 0 H HIS A 55 -10.223 -6.178 1.661 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.692 -3.702 2.289 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.127 -5.864 1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.657 -6.362 3.319 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -13.396 -4.740 5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.157 -3.990 1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -15.422 -3.269 5.778 1.00 0.00 H new ATOM 825 N GLU A 56 -9.406 -4.514 3.751 1.00 0.00 N ATOM 826 CA GLU A 56 -8.544 -4.534 4.927 1.00 0.00 C ATOM 827 C GLU A 56 -7.234 -3.801 4.654 1.00 0.00 C ATOM 828 O GLU A 56 -6.697 -3.853 3.547 1.00 0.00 O ATOM 829 CB GLU A 56 -8.256 -5.976 5.351 1.00 0.00 C ATOM 830 CG GLU A 56 -7.650 -6.092 6.739 1.00 0.00 C ATOM 831 CD GLU A 56 -7.909 -7.443 7.378 1.00 0.00 C ATOM 832 OE1 GLU A 56 -7.774 -8.466 6.675 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.248 -7.477 8.579 1.00 0.00 O ATOM 0 H GLU A 56 -8.931 -4.264 2.884 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.065 -4.022 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.184 -6.547 5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.578 -6.430 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.575 -5.924 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.059 -5.308 7.377 1.00 0.00 H new ATOM 840 N THR A 57 -6.723 -3.115 5.673 1.00 0.00 N ATOM 841 CA THR A 57 -5.478 -2.369 5.544 1.00 0.00 C ATOM 842 C THR A 57 -4.270 -3.292 5.663 1.00 0.00 C ATOM 843 O THR A 57 -4.381 -4.418 6.150 1.00 0.00 O ATOM 844 CB THR A 57 -5.372 -1.264 6.611 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.610 -1.148 7.321 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.020 0.072 5.974 1.00 0.00 C ATOM 0 H THR A 57 -7.153 -3.061 6.596 1.00 0.00 H new ATOM 0 HA THR A 57 -5.486 -1.910 4.556 1.00 0.00 H new ATOM 0 HB THR A 57 -4.579 -1.537 7.307 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.534 -0.444 7.999 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.951 0.837 6.747 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.063 -0.011 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.794 0.349 5.258 1.00 0.00 H new ATOM 854 N LEU A 58 -3.116 -2.808 5.215 1.00 0.00 N ATOM 855 CA LEU A 58 -1.886 -3.590 5.272 1.00 0.00 C ATOM 856 C LEU A 58 -0.905 -2.989 6.274 1.00 0.00 C ATOM 857 O LEU A 58 -0.651 -1.784 6.263 1.00 0.00 O ATOM 858 CB LEU A 58 -1.239 -3.661 3.888 1.00 0.00 C ATOM 859 CG LEU A 58 -2.116 -4.218 2.765 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.469 -3.972 1.411 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.371 -5.703 2.974 1.00 0.00 C ATOM 0 H LEU A 58 -3.007 -1.879 4.809 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.140 -4.598 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.917 -2.658 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.341 -4.275 3.960 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.074 -3.699 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.107 -4.375 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.339 -2.901 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.497 -4.464 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.996 -6.082 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.421 -6.238 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.878 -5.855 3.927 1.00 0.00 H new ATOM 873 N ARG A 59 -0.354 -3.837 7.137 1.00 0.00 N ATOM 874 CA ARG A 59 0.600 -3.390 8.144 1.00 0.00 C ATOM 875 C ARG A 59 2.032 -3.525 7.635 1.00 0.00 C ATOM 876 O ARG A 59 2.264 -4.015 6.530 1.00 0.00 O ATOM 877 CB ARG A 59 0.428 -4.196 9.433 1.00 0.00 C ATOM 878 CG ARG A 59 -0.082 -3.371 10.603 1.00 0.00 C ATOM 879 CD ARG A 59 -0.177 -4.203 11.873 1.00 0.00 C ATOM 880 NE ARG A 59 -0.455 -3.381 13.047 1.00 0.00 N ATOM 881 CZ ARG A 59 0.459 -2.632 13.653 1.00 0.00 C ATOM 882 NH1 ARG A 59 1.704 -2.601 13.198 1.00 0.00 N ATOM 883 NH2 ARG A 59 0.129 -1.911 14.717 1.00 0.00 N ATOM 0 H ARG A 59 -0.552 -4.837 7.159 1.00 0.00 H new ATOM 0 HA ARG A 59 0.404 -2.338 8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.265 -5.017 9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.385 -4.642 9.703 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.584 -2.525 10.770 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.063 -2.962 10.361 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.963 -4.950 11.759 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.757 -4.744 12.022 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.403 -3.382 13.422 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.962 -3.153 12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.404 -2.025 13.666 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.828 -1.932 15.070 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.832 -1.336 15.182 1.00 0.00 H new ATOM 897 N ASP A 60 2.987 -3.086 8.447 1.00 0.00 N ATOM 898 CA ASP A 60 4.396 -3.158 8.079 1.00 0.00 C ATOM 899 C ASP A 60 5.155 -4.092 9.016 1.00 0.00 C ATOM 900 O ASP A 60 5.038 -3.993 10.237 1.00 0.00 O ATOM 901 CB ASP A 60 5.025 -1.764 8.108 1.00 0.00 C ATOM 902 CG ASP A 60 4.986 -1.141 9.490 1.00 0.00 C ATOM 903 OD1 ASP A 60 3.879 -0.801 9.956 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.064 -0.991 10.104 1.00 0.00 O ATOM 0 H ASP A 60 2.811 -2.676 9.364 1.00 0.00 H new ATOM 0 HA ASP A 60 4.462 -3.556 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.059 -1.828 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.500 -1.117 7.406 1.00 0.00 H new ATOM 909 N GLY A 61 5.934 -5.001 8.436 1.00 0.00 N ATOM 910 CA GLY A 61 6.700 -5.940 9.234 1.00 0.00 C ATOM 911 C GLY A 61 6.158 -7.353 9.145 1.00 0.00 C ATOM 912 O GLY A 61 5.200 -7.613 8.417 1.00 0.00 O ATOM 0 H GLY A 61 6.048 -5.103 7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.738 -5.931 8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.694 -5.617 10.275 1.00 0.00 H new ATOM 916 N ASP A 62 6.773 -8.268 9.886 1.00 0.00 N ATOM 917 CA ASP A 62 6.348 -9.663 9.887 1.00 0.00 C ATOM 918 C ASP A 62 6.657 -10.327 8.549 1.00 0.00 C ATOM 919 O ASP A 62 7.605 -11.104 8.435 1.00 0.00 O ATOM 920 CB ASP A 62 4.851 -9.761 10.185 1.00 0.00 C ATOM 921 CG ASP A 62 4.567 -10.452 11.504 1.00 0.00 C ATOM 922 OD1 ASP A 62 5.175 -10.059 12.522 1.00 0.00 O ATOM 923 OD2 ASP A 62 3.737 -11.384 11.519 1.00 0.00 O ATOM 0 H ASP A 62 7.568 -8.069 10.494 1.00 0.00 H new ATOM 0 HA ASP A 62 6.902 -10.185 10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.421 -8.760 10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.358 -10.305 9.380 1.00 0.00 H new ATOM 928 N ARG A 63 5.851 -10.016 7.539 1.00 0.00 N ATOM 929 CA ARG A 63 6.037 -10.584 6.209 1.00 0.00 C ATOM 930 C ARG A 63 5.965 -9.499 5.139 1.00 0.00 C ATOM 931 O ARG A 63 5.964 -9.791 3.943 1.00 0.00 O ATOM 932 CB ARG A 63 4.980 -11.656 5.936 1.00 0.00 C ATOM 933 CG ARG A 63 5.128 -12.893 6.806 1.00 0.00 C ATOM 934 CD ARG A 63 4.872 -14.165 6.013 1.00 0.00 C ATOM 935 NE ARG A 63 3.990 -15.086 6.726 1.00 0.00 N ATOM 936 CZ ARG A 63 2.672 -14.938 6.792 1.00 0.00 C ATOM 937 NH1 ARG A 63 2.086 -13.912 6.191 1.00 0.00 N ATOM 938 NH2 ARG A 63 1.937 -15.818 7.459 1.00 0.00 N ATOM 0 H ARG A 63 5.063 -9.374 7.616 1.00 0.00 H new ATOM 0 HA ARG A 63 7.026 -11.041 6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.991 -11.227 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.036 -11.951 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.132 -12.923 7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.430 -12.837 7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.428 -13.909 5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.821 -14.660 5.805 1.00 0.00 H new ATOM 0 HE ARG A 63 4.410 -15.886 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.648 -13.234 5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.073 -13.801 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.384 -16.609 7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.925 -15.703 7.509 1.00 0.00 H new ATOM 952 N HIS A 64 5.904 -8.245 5.578 1.00 0.00 N ATOM 953 CA HIS A 64 5.831 -7.116 4.658 1.00 0.00 C ATOM 954 C HIS A 64 6.884 -6.066 5.003 1.00 0.00 C ATOM 955 O HIS A 64 7.440 -6.068 6.101 1.00 0.00 O ATOM 956 CB HIS A 64 4.437 -6.489 4.695 1.00 0.00 C ATOM 957 CG HIS A 64 3.354 -7.410 4.225 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.051 -8.599 4.853 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.498 -7.309 3.181 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.057 -9.191 4.215 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.703 -8.429 3.197 1.00 0.00 N ATOM 0 H HIS A 64 5.904 -7.986 6.565 1.00 0.00 H new ATOM 0 HA HIS A 64 6.027 -7.486 3.652 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.217 -6.173 5.715 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.434 -5.592 4.075 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.449 -6.499 2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.610 -10.137 4.481 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.960 -8.638 2.530 1.00 0.00 H new ATOM 969 N SER A 65 7.152 -5.171 4.057 1.00 0.00 N ATOM 970 CA SER A 65 8.141 -4.119 4.259 1.00 0.00 C ATOM 971 C SER A 65 7.714 -2.831 3.561 1.00 0.00 C ATOM 972 O SER A 65 7.770 -2.727 2.335 1.00 0.00 O ATOM 973 CB SER A 65 9.507 -4.566 3.737 1.00 0.00 C ATOM 974 OG SER A 65 10.293 -5.124 4.776 1.00 0.00 O ATOM 0 H SER A 65 6.698 -5.154 3.144 1.00 0.00 H new ATOM 0 HA SER A 65 8.215 -3.925 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.374 -5.301 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.029 -3.715 3.299 1.00 0.00 H new ATOM 0 HG SER A 65 11.161 -5.403 4.416 1.00 0.00 H new ATOM 980 N LEU A 66 7.286 -1.852 4.350 1.00 0.00 N ATOM 981 CA LEU A 66 6.848 -0.570 3.809 1.00 0.00 C ATOM 982 C LEU A 66 7.997 0.434 3.790 1.00 0.00 C ATOM 983 O LEU A 66 8.577 0.748 4.830 1.00 0.00 O ATOM 984 CB LEU A 66 5.686 -0.016 4.635 1.00 0.00 C ATOM 985 CG LEU A 66 4.309 -0.615 4.343 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.245 -2.059 4.816 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.216 0.213 5.002 1.00 0.00 C ATOM 0 H LEU A 66 7.233 -1.921 5.366 1.00 0.00 H new ATOM 0 HA LEU A 66 6.513 -0.731 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.911 -0.170 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.633 1.061 4.474 1.00 0.00 H new ATOM 0 HG LEU A 66 4.148 -0.599 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.258 -2.469 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.003 -2.646 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.427 -2.099 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.244 -0.228 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.373 0.230 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.248 1.231 4.615 1.00 0.00 H new ATOM 999 N ARG A 67 8.319 0.935 2.602 1.00 0.00 N ATOM 1000 CA ARG A 67 9.397 1.903 2.448 1.00 0.00 C ATOM 1001 C ARG A 67 8.908 3.150 1.717 1.00 0.00 C ATOM 1002 O ARG A 67 8.071 3.066 0.819 1.00 0.00 O ATOM 1003 CB ARG A 67 10.568 1.279 1.687 1.00 0.00 C ATOM 1004 CG ARG A 67 11.157 0.056 2.371 1.00 0.00 C ATOM 1005 CD ARG A 67 12.303 -0.535 1.565 1.00 0.00 C ATOM 1006 NE ARG A 67 13.380 -1.022 2.423 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.483 -1.602 1.960 1.00 0.00 C ATOM 1008 NH1 ARG A 67 14.652 -1.765 0.655 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.418 -2.018 2.804 1.00 0.00 N ATOM 0 H ARG A 67 7.848 0.686 1.732 1.00 0.00 H new ATOM 0 HA ARG A 67 9.734 2.194 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.233 1.000 0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.350 2.028 1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.512 0.329 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.380 -0.696 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.930 -1.355 0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.695 0.221 0.884 1.00 0.00 H new ATOM 0 HE ARG A 67 13.280 -0.911 3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.935 -1.445 0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.499 -2.210 0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.291 -1.893 3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.264 -2.463 2.449 1.00 0.00 H new ATOM 1023 N GLN A 68 9.436 4.305 2.110 1.00 0.00 N ATOM 1024 CA GLN A 68 9.051 5.569 1.492 1.00 0.00 C ATOM 1025 C GLN A 68 10.254 6.497 1.358 1.00 0.00 C ATOM 1026 O GLN A 68 11.113 6.548 2.239 1.00 0.00 O ATOM 1027 CB GLN A 68 7.956 6.250 2.315 1.00 0.00 C ATOM 1028 CG GLN A 68 7.411 7.515 1.672 1.00 0.00 C ATOM 1029 CD GLN A 68 6.175 8.041 2.375 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.832 7.595 3.470 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.498 8.996 1.748 1.00 0.00 N ATOM 0 H GLN A 68 10.130 4.392 2.852 1.00 0.00 H new ATOM 0 HA GLN A 68 8.667 5.355 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.137 5.547 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.353 6.495 3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.184 8.284 1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.172 7.313 0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.818 9.337 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.658 9.389 2.173 1.00 0.00 H new ATOM 1040 N ASP A 69 10.309 7.229 0.251 1.00 0.00 N ATOM 1041 CA ASP A 69 11.406 8.157 0.001 1.00 0.00 C ATOM 1042 C ASP A 69 10.912 9.398 -0.736 1.00 0.00 C ATOM 1043 O ASP A 69 11.015 9.488 -1.958 1.00 0.00 O ATOM 1044 CB ASP A 69 12.507 7.472 -0.810 1.00 0.00 C ATOM 1045 CG ASP A 69 13.460 6.678 0.063 1.00 0.00 C ATOM 1046 OD1 ASP A 69 14.235 7.303 0.815 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.430 5.431 -0.008 1.00 0.00 O ATOM 0 H ASP A 69 9.607 7.198 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 69 11.813 8.466 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.053 6.807 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.068 8.225 -1.364 1.00 0.00 H new ATOM 1052 N GLY A 70 10.373 10.352 0.018 1.00 0.00 N ATOM 1053 CA GLY A 70 9.870 11.574 -0.582 1.00 0.00 C ATOM 1054 C GLY A 70 8.534 11.375 -1.270 1.00 0.00 C ATOM 1055 O GLY A 70 7.544 11.027 -0.628 1.00 0.00 O ATOM 0 H GLY A 70 10.276 10.300 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.768 12.338 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.596 11.945 -1.305 1.00 0.00 H new ATOM 1059 N ALA A 71 8.506 11.599 -2.580 1.00 0.00 N ATOM 1060 CA ALA A 71 7.282 11.441 -3.355 1.00 0.00 C ATOM 1061 C ALA A 71 7.261 10.101 -4.082 1.00 0.00 C ATOM 1062 O ALA A 71 6.610 9.955 -5.117 1.00 0.00 O ATOM 1063 CB ALA A 71 7.136 12.585 -4.348 1.00 0.00 C ATOM 0 H ALA A 71 9.317 11.890 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 71 6.439 11.463 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.218 12.455 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.097 13.532 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.989 12.589 -5.027 1.00 0.00 H new ATOM 1069 N ARG A 72 7.979 9.125 -3.535 1.00 0.00 N ATOM 1070 CA ARG A 72 8.044 7.797 -4.133 1.00 0.00 C ATOM 1071 C ARG A 72 7.826 6.715 -3.080 1.00 0.00 C ATOM 1072 O ARG A 72 8.738 6.378 -2.323 1.00 0.00 O ATOM 1073 CB ARG A 72 9.395 7.590 -4.821 1.00 0.00 C ATOM 1074 CG ARG A 72 9.358 7.833 -6.321 1.00 0.00 C ATOM 1075 CD ARG A 72 10.738 7.686 -6.942 1.00 0.00 C ATOM 1076 NE ARG A 72 10.689 7.733 -8.401 1.00 0.00 N ATOM 1077 CZ ARG A 72 11.763 7.889 -9.168 1.00 0.00 C ATOM 1078 NH1 ARG A 72 12.963 8.012 -8.618 1.00 0.00 N ATOM 1079 NH2 ARG A 72 11.637 7.922 -10.489 1.00 0.00 N ATOM 0 H ARG A 72 8.524 9.229 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 72 7.250 7.721 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.129 8.259 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.736 6.572 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.670 7.128 -6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.973 8.833 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.387 8.481 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.180 6.742 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 72 9.781 7.641 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.064 7.987 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.785 8.132 -9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.715 7.828 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.462 8.042 -11.077 1.00 0.00 H new ATOM 1093 N CYS A 73 6.613 6.175 -3.036 1.00 0.00 N ATOM 1094 CA CYS A 73 6.275 5.132 -2.074 1.00 0.00 C ATOM 1095 C CYS A 73 6.411 3.749 -2.702 1.00 0.00 C ATOM 1096 O CYS A 73 6.408 3.609 -3.925 1.00 0.00 O ATOM 1097 CB CYS A 73 4.850 5.331 -1.555 1.00 0.00 C ATOM 1098 SG CYS A 73 4.492 7.018 -1.012 1.00 0.00 S ATOM 0 H CYS A 73 5.848 6.442 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 73 6.972 5.202 -1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.147 5.057 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.679 4.649 -0.722 1.00 0.00 H new ATOM 0 HG CYS A 73 4.363 7.039 0.281 1.00 0.00 H new ATOM 1104 N GLU A 74 6.533 2.730 -1.857 1.00 0.00 N ATOM 1105 CA GLU A 74 6.674 1.358 -2.330 1.00 0.00 C ATOM 1106 C GLU A 74 6.317 0.363 -1.229 1.00 0.00 C ATOM 1107 O GLU A 74 6.392 0.681 -0.041 1.00 0.00 O ATOM 1108 CB GLU A 74 8.103 1.106 -2.816 1.00 0.00 C ATOM 1109 CG GLU A 74 9.142 1.174 -1.710 1.00 0.00 C ATOM 1110 CD GLU A 74 10.550 1.354 -2.243 1.00 0.00 C ATOM 1111 OE1 GLU A 74 10.864 2.463 -2.727 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.339 0.388 -2.177 1.00 0.00 O ATOM 0 H GLU A 74 6.537 2.829 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 74 5.985 1.216 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.150 0.124 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.352 1.840 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.902 2.001 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.096 0.261 -1.117 1.00 0.00 H new ATOM 1119 N LEU A 75 5.928 -0.841 -1.632 1.00 0.00 N ATOM 1120 CA LEU A 75 5.558 -1.883 -0.680 1.00 0.00 C ATOM 1121 C LEU A 75 6.185 -3.219 -1.065 1.00 0.00 C ATOM 1122 O LEU A 75 5.889 -3.772 -2.124 1.00 0.00 O ATOM 1123 CB LEU A 75 4.036 -2.022 -0.612 1.00 0.00 C ATOM 1124 CG LEU A 75 3.507 -3.290 0.060 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.128 -3.462 1.438 1.00 0.00 C ATOM 1126 CD2 LEU A 75 1.989 -3.248 0.158 1.00 0.00 C ATOM 0 H LEU A 75 5.860 -1.120 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 75 5.935 -1.595 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.636 -1.159 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.642 -1.981 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 75 3.788 -4.147 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.740 -4.369 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.211 -3.538 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.878 -2.602 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.630 -4.158 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.686 -2.383 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.562 -3.173 -0.842 1.00 0.00 H new ATOM 1138 N GLN A 76 7.051 -3.733 -0.197 1.00 0.00 N ATOM 1139 CA GLN A 76 7.718 -5.005 -0.446 1.00 0.00 C ATOM 1140 C GLN A 76 7.004 -6.144 0.274 1.00 0.00 C ATOM 1141 O GLN A 76 6.467 -5.961 1.366 1.00 0.00 O ATOM 1142 CB GLN A 76 9.178 -4.936 0.005 1.00 0.00 C ATOM 1143 CG GLN A 76 9.897 -6.274 -0.053 1.00 0.00 C ATOM 1144 CD GLN A 76 11.393 -6.143 0.154 1.00 0.00 C ATOM 1145 OE1 GLN A 76 11.859 -5.914 1.271 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.155 -6.288 -0.924 1.00 0.00 N ATOM 0 H GLN A 76 7.307 -3.288 0.684 1.00 0.00 H new ATOM 0 HA GLN A 76 7.685 -5.200 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.710 -4.220 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.217 -4.556 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.485 -6.936 0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.707 -6.742 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.726 -6.477 -1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.169 -6.210 -0.846 1.00 0.00 H new ATOM 1155 N ILE A 77 7.002 -7.320 -0.346 1.00 0.00 N ATOM 1156 CA ILE A 77 6.355 -8.489 0.236 1.00 0.00 C ATOM 1157 C ILE A 77 7.206 -9.740 0.047 1.00 0.00 C ATOM 1158 O ILE A 77 7.364 -10.232 -1.070 1.00 0.00 O ATOM 1159 CB ILE A 77 4.965 -8.729 -0.382 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.078 -7.497 -0.191 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.315 -9.957 0.237 1.00 0.00 C ATOM 1162 CD1 ILE A 77 2.819 -7.523 -1.028 1.00 0.00 C ATOM 0 H ILE A 77 7.441 -7.488 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 77 6.240 -8.288 1.301 1.00 0.00 H new ATOM 0 HB ILE A 77 5.085 -8.905 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.804 -7.417 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.652 -6.604 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.333 -10.113 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.940 -10.831 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.205 -9.808 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.239 -6.619 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.085 -7.572 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.224 -8.397 -0.763 1.00 0.00 H new ATOM 1174 N ARG A 78 7.751 -10.250 1.147 1.00 0.00 N ATOM 1175 CA ARG A 78 8.586 -11.445 1.102 1.00 0.00 C ATOM 1176 C ARG A 78 7.766 -12.692 1.419 1.00 0.00 C ATOM 1177 O ARG A 78 6.991 -12.712 2.374 1.00 0.00 O ATOM 1178 CB ARG A 78 9.746 -11.319 2.091 1.00 0.00 C ATOM 1179 CG ARG A 78 11.029 -10.799 1.462 1.00 0.00 C ATOM 1180 CD ARG A 78 12.212 -10.950 2.404 1.00 0.00 C ATOM 1181 NE ARG A 78 13.474 -10.595 1.759 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.088 -11.369 0.871 1.00 0.00 C ATOM 1183 NH1 ARG A 78 13.558 -12.534 0.523 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.233 -10.977 0.327 1.00 0.00 N ATOM 0 H ARG A 78 7.630 -9.855 2.079 1.00 0.00 H new ATOM 0 HA ARG A 78 8.987 -11.541 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.451 -10.651 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.939 -12.294 2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.228 -11.341 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.906 -9.749 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.062 -10.318 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.263 -11.979 2.759 1.00 0.00 H new ATOM 0 HE ARG A 78 13.907 -9.705 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.677 -12.838 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.032 -13.126 -0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.642 -10.081 0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.704 -11.572 -0.355 1.00 0.00 H new ATOM 1198 N GLY A 79 7.944 -13.732 0.610 1.00 0.00 N ATOM 1199 CA GLY A 79 7.215 -14.969 0.821 1.00 0.00 C ATOM 1200 C GLY A 79 5.966 -15.058 -0.034 1.00 0.00 C ATOM 1201 O GLY A 79 4.869 -15.286 0.478 1.00 0.00 O ATOM 0 H GLY A 79 8.580 -13.740 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.866 -15.814 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.939 -15.050 1.872 1.00 0.00 H new ATOM 1205 N LEU A 80 6.130 -14.877 -1.340 1.00 0.00 N ATOM 1206 CA LEU A 80 5.006 -14.936 -2.268 1.00 0.00 C ATOM 1207 C LEU A 80 4.349 -16.312 -2.240 1.00 0.00 C ATOM 1208 O LEU A 80 4.912 -17.270 -1.710 1.00 0.00 O ATOM 1209 CB LEU A 80 5.474 -14.611 -3.687 1.00 0.00 C ATOM 1210 CG LEU A 80 5.567 -13.126 -4.040 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.107 -12.944 -5.450 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.207 -12.458 -3.898 1.00 0.00 C ATOM 0 H LEU A 80 7.031 -14.688 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 80 4.269 -14.195 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.455 -15.061 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.793 -15.089 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 80 6.258 -12.650 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.166 -11.881 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.101 -13.386 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.442 -13.435 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.292 -11.402 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.494 -12.937 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.859 -12.556 -2.870 1.00 0.00 H new ATOM 1224 N VAL A 81 3.154 -16.404 -2.815 1.00 0.00 N ATOM 1225 CA VAL A 81 2.421 -17.663 -2.859 1.00 0.00 C ATOM 1226 C VAL A 81 1.314 -17.618 -3.907 1.00 0.00 C ATOM 1227 O VAL A 81 1.448 -18.183 -4.991 1.00 0.00 O ATOM 1228 CB VAL A 81 1.804 -18.001 -1.490 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.643 -19.044 -0.768 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.660 -16.744 -0.646 1.00 0.00 C ATOM 0 H VAL A 81 2.673 -15.621 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 81 3.139 -18.438 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 81 0.810 -18.418 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.191 -19.270 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.690 -19.953 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.651 -18.658 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.222 -17.001 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.641 -16.295 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.013 -16.033 -1.160 1.00 0.00 H new ATOM 1240 N ALA A 82 0.220 -16.942 -3.574 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.910 -16.820 -4.487 1.00 0.00 C ATOM 1242 C ALA A 82 -2.033 -15.997 -3.864 1.00 0.00 C ATOM 1243 O ALA A 82 -2.739 -15.268 -4.560 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.420 -18.198 -4.881 1.00 0.00 C ATOM 0 H ALA A 82 0.092 -16.470 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.568 -16.301 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.264 -18.092 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.622 -18.754 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.740 -18.736 -3.989 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.192 -16.120 -2.550 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.231 -15.387 -1.835 1.00 0.00 C ATOM 1252 C GLU A 83 -2.889 -13.902 -1.750 1.00 0.00 C ATOM 1253 O GLU A 83 -3.777 -13.054 -1.659 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.414 -15.961 -0.429 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.421 -17.097 -0.361 1.00 0.00 C ATOM 1256 CD GLU A 83 -4.797 -17.460 1.062 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.277 -16.571 1.795 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -4.610 -18.635 1.443 1.00 0.00 O ATOM 0 H GLU A 83 -1.616 -16.719 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.164 -15.496 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.451 -16.318 -0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.734 -15.163 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.320 -16.814 -0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.007 -17.974 -0.858 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.596 -13.597 -1.779 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.136 -12.215 -1.706 1.00 0.00 C ATOM 1267 C ASP A 84 -1.661 -11.404 -2.887 1.00 0.00 C ATOM 1268 O ASP A 84 -1.898 -10.202 -2.770 1.00 0.00 O ATOM 1269 CB ASP A 84 0.392 -12.165 -1.676 1.00 0.00 C ATOM 1270 CG ASP A 84 0.924 -10.749 -1.575 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.909 -10.187 -0.460 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.356 -10.202 -2.612 1.00 0.00 O ATOM 0 H ASP A 84 -0.849 -14.287 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.524 -11.777 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.755 -12.747 -0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.786 -12.634 -2.578 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.838 -12.070 -4.023 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.335 -11.411 -5.225 1.00 0.00 C ATOM 1279 C ALA A 85 -3.745 -10.871 -5.012 1.00 0.00 C ATOM 1280 O ALA A 85 -4.462 -11.317 -4.117 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.308 -12.373 -6.403 1.00 0.00 C ATOM 0 H ALA A 85 -1.645 -13.065 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.681 -10.567 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.682 -11.868 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.285 -12.706 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.938 -13.235 -6.183 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.136 -9.907 -5.840 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.459 -9.322 -5.724 1.00 0.00 C ATOM 1289 C GLY A 86 -5.499 -7.882 -6.195 1.00 0.00 C ATOM 1290 O GLY A 86 -4.913 -7.542 -7.222 1.00 0.00 O ATOM 0 H GLY A 86 -3.561 -9.521 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.166 -9.912 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.785 -9.370 -4.685 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.194 -7.034 -5.444 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.310 -5.623 -5.793 1.00 0.00 C ATOM 1296 C GLU A 87 -5.679 -4.743 -4.718 1.00 0.00 C ATOM 1297 O GLU A 87 -6.239 -4.568 -3.635 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.780 -5.240 -5.982 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.977 -3.850 -6.562 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.360 -3.654 -7.151 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -10.285 -3.301 -6.391 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.517 -3.854 -8.374 1.00 0.00 O ATOM 0 H GLU A 87 -6.685 -7.299 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.777 -5.462 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.255 -5.969 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.289 -5.298 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.810 -3.108 -5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.229 -3.674 -7.335 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.509 -4.192 -5.024 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.800 -3.333 -4.084 1.00 0.00 C ATOM 1311 C TYR A 88 -4.173 -1.868 -4.296 1.00 0.00 C ATOM 1312 O TYR A 88 -4.209 -1.382 -5.427 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.288 -3.512 -4.237 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.747 -4.728 -3.519 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.756 -5.978 -4.124 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -1.227 -4.625 -2.235 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.263 -7.091 -3.471 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.731 -5.733 -1.574 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.751 -6.963 -2.196 1.00 0.00 C ATOM 1320 OH TYR A 88 -0.259 -8.070 -1.543 1.00 0.00 O ATOM 0 H TYR A 88 -4.032 -4.325 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.094 -3.622 -3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.045 -3.588 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.785 -2.623 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.155 -6.082 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.210 -3.663 -1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.278 -8.056 -3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.330 -5.636 -0.576 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.818 -8.848 -1.750 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.449 -1.171 -3.200 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.819 0.239 -3.263 1.00 0.00 C ATOM 1332 C LEU A 89 -3.733 1.115 -2.647 1.00 0.00 C ATOM 1333 O LEU A 89 -2.781 0.612 -2.049 1.00 0.00 O ATOM 1334 CB LEU A 89 -6.147 0.470 -2.540 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.224 1.211 -3.335 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.539 0.449 -3.290 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.404 2.624 -2.800 1.00 0.00 C ATOM 0 H LEU A 89 -4.424 -1.559 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.930 0.514 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.547 -0.498 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.948 1.030 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.902 1.277 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.293 0.991 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.400 -0.542 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.868 0.351 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.174 3.136 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.704 2.581 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.464 3.168 -2.886 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.883 2.426 -2.796 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.916 3.373 -2.253 1.00 0.00 C ATOM 1351 C CYS A 90 -3.484 4.789 -2.248 1.00 0.00 C ATOM 1352 O CYS A 90 -3.392 5.509 -3.241 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.621 3.334 -3.066 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.205 4.094 -2.237 1.00 0.00 S ATOM 0 H CYS A 90 -4.665 2.858 -3.288 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.700 3.084 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.380 2.296 -3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.786 3.840 -4.017 1.00 0.00 H new ATOM 0 HG CYS A 90 0.842 4.010 -3.002 1.00 0.00 H new ATOM 1360 N MET A 91 -4.073 5.180 -1.122 1.00 0.00 N ATOM 1361 CA MET A 91 -4.657 6.509 -0.988 1.00 0.00 C ATOM 1362 C MET A 91 -3.656 7.484 -0.375 1.00 0.00 C ATOM 1363 O MET A 91 -2.951 7.147 0.576 1.00 0.00 O ATOM 1364 CB MET A 91 -5.921 6.450 -0.128 1.00 0.00 C ATOM 1365 CG MET A 91 -6.861 5.318 -0.507 1.00 0.00 C ATOM 1366 SD MET A 91 -8.454 5.428 0.331 1.00 0.00 S ATOM 1367 CE MET A 91 -8.289 4.123 1.546 1.00 0.00 C ATOM 0 H MET A 91 -4.158 4.596 -0.290 1.00 0.00 H new ATOM 0 HA MET A 91 -4.920 6.865 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.634 6.339 0.918 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.453 7.397 -0.213 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.021 5.329 -1.585 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.392 4.365 -0.264 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.235 3.995 2.073 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.023 3.192 1.046 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.509 4.387 2.260 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.599 8.691 -0.927 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.683 9.714 -0.434 1.00 0.00 C ATOM 1379 C CYS A 92 -3.409 11.038 -0.224 1.00 0.00 C ATOM 1380 O CYS A 92 -3.568 11.826 -1.156 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.524 9.904 -1.414 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.380 11.226 -0.956 1.00 0.00 S ATOM 0 H CYS A 92 -4.176 8.985 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.288 9.381 0.526 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -0.970 8.969 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.930 10.116 -2.403 1.00 0.00 H new ATOM 0 HG CYS A 92 0.003 11.061 0.275 1.00 0.00 H new ATOM 1388 N GLY A 93 -3.851 11.277 1.008 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.557 12.506 1.318 1.00 0.00 C ATOM 1390 C GLY A 93 -5.978 12.507 0.791 1.00 0.00 C ATOM 1391 O GLY A 93 -6.927 12.279 1.542 1.00 0.00 O ATOM 0 H GLY A 93 -3.732 10.641 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.573 12.649 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.014 13.350 0.893 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.128 12.765 -0.504 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.443 12.796 -1.132 1.00 0.00 C ATOM 1397 C LYS A 94 -7.518 11.802 -2.286 1.00 0.00 C ATOM 1398 O LYS A 94 -8.408 10.954 -2.330 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.757 14.206 -1.637 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.207 14.614 -1.439 1.00 0.00 C ATOM 1401 CD LYS A 94 -9.366 16.125 -1.440 1.00 0.00 C ATOM 1402 CE LYS A 94 -10.107 16.609 -0.204 1.00 0.00 C ATOM 1403 NZ LYS A 94 -9.316 16.391 1.039 1.00 0.00 N ATOM 0 H LYS A 94 -5.353 12.956 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.183 12.513 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.114 14.919 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.513 14.266 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.819 14.182 -2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.574 14.209 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.384 16.595 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.907 16.434 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.333 17.670 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.060 16.086 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.726 16.950 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.337 15.382 1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.332 16.688 0.881 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.577 11.913 -3.219 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.538 11.023 -4.373 1.00 0.00 C ATOM 1419 C GLU A 95 -6.276 9.583 -3.941 1.00 0.00 C ATOM 1420 O GLU A 95 -6.063 9.307 -2.760 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.458 11.476 -5.358 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.970 12.425 -6.429 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.897 13.488 -5.872 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -6.393 14.534 -5.414 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -8.127 13.272 -5.895 1.00 0.00 O ATOM 0 H GLU A 95 -5.832 12.610 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.510 11.065 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.656 11.965 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.025 10.599 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.123 12.907 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.496 11.854 -7.194 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.294 8.670 -4.906 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.061 7.258 -4.626 1.00 0.00 C ATOM 1434 C ARG A 96 -5.832 6.478 -5.918 1.00 0.00 C ATOM 1435 O ARG A 96 -6.220 6.920 -7.000 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.246 6.665 -3.863 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.574 6.819 -4.585 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.615 5.848 -4.050 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.423 5.268 -5.120 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.336 5.950 -5.804 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.555 7.229 -5.530 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.031 5.352 -6.763 1.00 0.00 N ATOM 0 H ARG A 96 -6.467 8.882 -5.888 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.165 7.179 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.059 5.606 -3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.315 7.145 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.935 7.841 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.431 6.649 -5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.117 5.050 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.265 6.366 -3.345 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.279 4.286 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.022 7.691 -4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.256 7.750 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.865 4.368 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.732 5.876 -7.288 1.00 0.00 H new ATOM 1456 N THR A 97 -5.199 5.315 -5.797 1.00 0.00 N ATOM 1457 CA THR A 97 -4.917 4.475 -6.954 1.00 0.00 C ATOM 1458 C THR A 97 -5.050 2.997 -6.605 1.00 0.00 C ATOM 1459 O THR A 97 -4.825 2.596 -5.463 1.00 0.00 O ATOM 1460 CB THR A 97 -3.503 4.735 -7.506 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.274 3.928 -8.666 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.447 4.431 -6.454 1.00 0.00 C ATOM 0 H THR A 97 -4.872 4.934 -4.909 1.00 0.00 H new ATOM 0 HA THR A 97 -5.650 4.733 -7.718 1.00 0.00 H new ATOM 0 HB THR A 97 -3.431 5.788 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.246 4.499 -9.462 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.456 4.622 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.606 5.068 -5.584 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.520 3.385 -6.156 1.00 0.00 H new ATOM 1470 N SER A 98 -5.416 2.190 -7.596 1.00 0.00 N ATOM 1471 CA SER A 98 -5.582 0.756 -7.393 1.00 0.00 C ATOM 1472 C SER A 98 -4.978 -0.031 -8.552 1.00 0.00 C ATOM 1473 O SER A 98 -5.232 0.268 -9.718 1.00 0.00 O ATOM 1474 CB SER A 98 -7.065 0.409 -7.244 1.00 0.00 C ATOM 1475 OG SER A 98 -7.858 1.160 -8.147 1.00 0.00 O ATOM 0 H SER A 98 -5.603 2.505 -8.548 1.00 0.00 H new ATOM 0 HA SER A 98 -5.058 0.481 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.212 -0.656 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.387 0.606 -6.222 1.00 0.00 H new ATOM 0 HG SER A 98 -8.801 0.919 -8.033 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.177 -1.038 -8.221 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.537 -1.869 -9.233 1.00 0.00 C ATOM 1483 C ALA A 99 -3.842 -3.346 -9.003 1.00 0.00 C ATOM 1484 O ALA A 99 -4.452 -3.714 -8.000 1.00 0.00 O ATOM 1485 CB ALA A 99 -2.034 -1.633 -9.238 1.00 0.00 C ATOM 0 H ALA A 99 -3.956 -1.298 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.940 -1.588 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.570 -2.260 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.831 -0.585 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.623 -1.884 -8.260 1.00 0.00 H new ATOM 1491 N MET A 100 -3.414 -4.186 -9.940 1.00 0.00 N ATOM 1492 CA MET A 100 -3.641 -5.623 -9.838 1.00 0.00 C ATOM 1493 C MET A 100 -2.320 -6.385 -9.855 1.00 0.00 C ATOM 1494 O MET A 100 -1.541 -6.276 -10.802 1.00 0.00 O ATOM 1495 CB MET A 100 -4.534 -6.102 -10.984 1.00 0.00 C ATOM 1496 CG MET A 100 -5.951 -5.555 -10.920 1.00 0.00 C ATOM 1497 SD MET A 100 -7.202 -6.848 -11.038 1.00 0.00 S ATOM 1498 CE MET A 100 -6.810 -7.830 -9.592 1.00 0.00 C ATOM 0 H MET A 100 -2.909 -3.897 -10.777 1.00 0.00 H new ATOM 0 HA MET A 100 -4.141 -5.820 -8.890 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.083 -5.809 -11.932 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.573 -7.191 -10.972 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.084 -5.011 -9.985 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.097 -4.839 -11.729 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.562 -8.608 -9.466 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.830 -8.290 -9.719 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.799 -7.190 -8.710 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.074 -7.156 -8.801 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.846 -7.936 -8.695 1.00 0.00 C ATOM 1510 C LEU A 101 -1.082 -9.383 -9.117 1.00 0.00 C ATOM 1511 O LEU A 101 -2.101 -9.984 -8.773 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.312 -7.891 -7.262 1.00 0.00 C ATOM 1513 CG LEU A 101 1.039 -8.568 -7.028 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.152 -7.791 -7.713 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.318 -8.700 -5.537 1.00 0.00 C ATOM 0 H LEU A 101 -2.708 -7.258 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.107 -7.497 -9.365 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.230 -6.847 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.048 -8.357 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 101 1.002 -9.568 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.106 -8.288 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.959 -7.748 -8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.190 -6.779 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.283 -9.184 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.334 -7.710 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.536 -9.301 -5.072 1.00 0.00 H new ATOM 1527 N THR A 102 -0.132 -9.940 -9.862 1.00 0.00 N ATOM 1528 CA THR A 102 -0.235 -11.316 -10.329 1.00 0.00 C ATOM 1529 C THR A 102 0.903 -12.170 -9.782 1.00 0.00 C ATOM 1530 O THR A 102 2.044 -11.717 -9.692 1.00 0.00 O ATOM 1531 CB THR A 102 -0.223 -11.390 -11.868 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.125 -10.419 -12.411 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.616 -12.779 -12.346 1.00 0.00 C ATOM 0 H THR A 102 0.718 -9.458 -10.155 1.00 0.00 H new ATOM 0 HA THR A 102 -1.185 -11.703 -9.961 1.00 0.00 H new ATOM 0 HB THR A 102 0.789 -11.178 -12.213 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.111 -10.471 -13.390 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.600 -12.807 -13.436 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.089 -13.512 -11.954 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.619 -13.016 -11.991 1.00 0.00 H new ATOM 1541 N VAL A 103 0.586 -13.409 -9.418 1.00 0.00 N ATOM 1542 CA VAL A 103 1.584 -14.327 -8.882 1.00 0.00 C ATOM 1543 C VAL A 103 1.522 -15.678 -9.586 1.00 0.00 C ATOM 1544 O VAL A 103 0.618 -16.476 -9.341 1.00 0.00 O ATOM 1545 CB VAL A 103 1.394 -14.540 -7.368 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.460 -15.478 -6.823 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.420 -13.207 -6.636 1.00 0.00 C ATOM 0 H VAL A 103 -0.354 -13.800 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 103 2.559 -13.873 -9.058 1.00 0.00 H new ATOM 0 HB VAL A 103 0.420 -15.001 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.310 -15.617 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.389 -16.442 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.446 -15.049 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.284 -13.376 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.378 -12.717 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.616 -12.572 -7.008 1.00 0.00 H new ATOM 1557 N ARG A 104 2.491 -15.927 -10.461 1.00 0.00 N ATOM 1558 CA ARG A 104 2.546 -17.182 -11.202 1.00 0.00 C ATOM 1559 C ARG A 104 2.915 -18.341 -10.281 1.00 0.00 C ATOM 1560 O ARG A 104 3.028 -18.171 -9.067 1.00 0.00 O ATOM 1561 CB ARG A 104 3.560 -17.080 -12.343 1.00 0.00 C ATOM 1562 CG ARG A 104 3.205 -16.030 -13.382 1.00 0.00 C ATOM 1563 CD ARG A 104 1.915 -16.379 -14.109 1.00 0.00 C ATOM 1564 NE ARG A 104 1.987 -17.689 -14.751 1.00 0.00 N ATOM 1565 CZ ARG A 104 2.608 -17.909 -15.904 1.00 0.00 C ATOM 1566 NH1 ARG A 104 3.209 -16.912 -16.538 1.00 0.00 N ATOM 1567 NH2 ARG A 104 2.630 -19.129 -16.425 1.00 0.00 N ATOM 0 H ARG A 104 3.248 -15.277 -10.674 1.00 0.00 H new ATOM 0 HA ARG A 104 1.557 -17.373 -11.619 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.541 -16.850 -11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.642 -18.050 -12.833 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.100 -15.059 -12.898 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.018 -15.941 -14.103 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.085 -16.367 -13.402 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.705 -15.618 -14.860 1.00 0.00 H new ATOM 0 HE ARG A 104 1.536 -18.478 -14.288 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.195 -15.973 -16.140 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.685 -17.084 -17.423 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.170 -19.899 -15.940 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.107 -19.297 -17.311 1.00 0.00 H new ATOM 1581 N ALA A 105 3.101 -19.519 -10.866 1.00 0.00 N ATOM 1582 CA ALA A 105 3.459 -20.706 -10.099 1.00 0.00 C ATOM 1583 C ALA A 105 4.916 -21.091 -10.330 1.00 0.00 C ATOM 1584 O ALA A 105 5.446 -20.920 -11.428 1.00 0.00 O ATOM 1585 CB ALA A 105 2.540 -21.864 -10.460 1.00 0.00 C ATOM 0 H ALA A 105 3.010 -19.677 -11.869 1.00 0.00 H new ATOM 0 HA ALA A 105 3.336 -20.475 -9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.818 -22.744 -9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.508 -21.593 -10.236 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.634 -22.085 -11.523 1.00 0.00 H new ATOM 1591 N MET A 106 5.558 -21.612 -9.290 1.00 0.00 N ATOM 1592 CA MET A 106 6.954 -22.022 -9.382 1.00 0.00 C ATOM 1593 C MET A 106 7.157 -23.010 -10.526 1.00 0.00 C ATOM 1594 O MET A 106 6.215 -23.639 -11.009 1.00 0.00 O ATOM 1595 CB MET A 106 7.411 -22.650 -8.063 1.00 0.00 C ATOM 1596 CG MET A 106 8.147 -21.682 -7.152 1.00 0.00 C ATOM 1597 SD MET A 106 9.293 -22.514 -6.035 1.00 0.00 S ATOM 1598 CE MET A 106 10.865 -22.066 -6.769 1.00 0.00 C ATOM 0 H MET A 106 5.134 -21.760 -8.374 1.00 0.00 H new ATOM 0 HA MET A 106 7.555 -21.135 -9.582 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.541 -23.042 -7.536 1.00 0.00 H new ATOM 0 HB3 MET A 106 8.061 -23.498 -8.280 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.696 -20.963 -7.760 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.422 -21.117 -6.567 1.00 0.00 H new ATOM 0 HE1 MET A 106 11.648 -22.119 -6.013 1.00 0.00 H new ATOM 0 HE2 MET A 106 11.097 -22.756 -7.581 1.00 0.00 H new ATOM 0 HE3 MET A 106 10.807 -21.051 -7.161 1.00 0.00 H new ATOM 1608 N PRO A 107 8.414 -23.151 -10.972 1.00 0.00 N ATOM 1609 CA PRO A 107 8.769 -24.061 -12.065 1.00 0.00 C ATOM 1610 C PRO A 107 8.643 -25.527 -11.663 1.00 0.00 C ATOM 1611 O PRO A 107 9.354 -26.001 -10.777 1.00 0.00 O ATOM 1612 CB PRO A 107 10.230 -23.711 -12.358 1.00 0.00 C ATOM 1613 CG PRO A 107 10.747 -23.145 -11.080 1.00 0.00 C ATOM 1614 CD PRO A 107 9.586 -22.433 -10.443 1.00 0.00 C ATOM 0 HA PRO A 107 8.108 -23.944 -12.924 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.796 -24.593 -12.658 1.00 0.00 H new ATOM 0 HB3 PRO A 107 10.309 -22.990 -13.171 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.126 -23.933 -10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.573 -22.458 -11.263 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.631 -22.484 -9.355 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.566 -21.377 -10.712 1.00 0.00 H new ATOM 1622 N SER A 108 7.734 -26.240 -12.320 1.00 0.00 N ATOM 1623 CA SER A 108 7.513 -27.651 -12.029 1.00 0.00 C ATOM 1624 C SER A 108 8.781 -28.463 -12.277 1.00 0.00 C ATOM 1625 O SER A 108 9.226 -29.218 -11.414 1.00 0.00 O ATOM 1626 CB SER A 108 6.369 -28.197 -12.885 1.00 0.00 C ATOM 1627 OG SER A 108 6.390 -29.614 -12.921 1.00 0.00 O ATOM 0 H SER A 108 7.139 -25.863 -13.058 1.00 0.00 H new ATOM 0 HA SER A 108 7.245 -27.741 -10.976 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.415 -27.854 -12.484 1.00 0.00 H new ATOM 0 HB3 SER A 108 6.449 -27.803 -13.898 1.00 0.00 H new ATOM 0 HG SER A 108 5.648 -29.938 -13.473 1.00 0.00 H new ATOM 1633 N GLY A 109 9.358 -28.300 -13.463 1.00 0.00 N ATOM 1634 CA GLY A 109 10.569 -29.023 -13.805 1.00 0.00 C ATOM 1635 C GLY A 109 10.484 -29.685 -15.166 1.00 0.00 C ATOM 1636 O GLY A 109 9.527 -29.492 -15.915 1.00 0.00 O ATOM 0 H GLY A 109 9.009 -27.680 -14.194 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.415 -28.336 -13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.762 -29.782 -13.047 1.00 0.00 H new ATOM 1640 N PRO A 110 11.507 -30.485 -15.504 1.00 0.00 N ATOM 1641 CA PRO A 110 11.568 -31.192 -16.786 1.00 0.00 C ATOM 1642 C PRO A 110 10.535 -32.309 -16.881 1.00 0.00 C ATOM 1643 O PRO A 110 9.953 -32.718 -15.876 1.00 0.00 O ATOM 1644 CB PRO A 110 12.985 -31.772 -16.804 1.00 0.00 C ATOM 1645 CG PRO A 110 13.360 -31.900 -15.368 1.00 0.00 C ATOM 1646 CD PRO A 110 12.682 -30.760 -14.660 1.00 0.00 C ATOM 0 HA PRO A 110 11.352 -30.532 -17.626 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.011 -32.738 -17.308 1.00 0.00 H new ATOM 0 HB3 PRO A 110 13.674 -31.117 -17.336 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.035 -32.859 -14.964 1.00 0.00 H new ATOM 0 HG3 PRO A 110 14.441 -31.850 -15.241 1.00 0.00 H new ATOM 0 HD2 PRO A 110 12.393 -31.032 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 110 13.334 -29.890 -14.583 1.00 0.00 H new ATOM 1654 N SER A 111 10.310 -32.800 -18.096 1.00 0.00 N ATOM 1655 CA SER A 111 9.344 -33.868 -18.323 1.00 0.00 C ATOM 1656 C SER A 111 9.797 -34.779 -19.460 1.00 0.00 C ATOM 1657 O SER A 111 9.250 -34.734 -20.562 1.00 0.00 O ATOM 1658 CB SER A 111 7.968 -33.281 -18.642 1.00 0.00 C ATOM 1659 OG SER A 111 6.973 -34.290 -18.655 1.00 0.00 O ATOM 0 H SER A 111 10.784 -32.475 -18.938 1.00 0.00 H new ATOM 0 HA SER A 111 9.276 -34.461 -17.411 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.712 -32.523 -17.902 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.998 -32.783 -19.611 1.00 0.00 H new ATOM 0 HG SER A 111 6.103 -33.889 -18.860 1.00 0.00 H new ATOM 1665 N SER A 112 10.802 -35.604 -19.184 1.00 0.00 N ATOM 1666 CA SER A 112 11.332 -36.523 -20.185 1.00 0.00 C ATOM 1667 C SER A 112 11.731 -35.775 -21.453 1.00 0.00 C ATOM 1668 O SER A 112 11.207 -36.039 -22.534 1.00 0.00 O ATOM 1669 CB SER A 112 10.298 -37.600 -20.518 1.00 0.00 C ATOM 1670 OG SER A 112 9.864 -38.271 -19.348 1.00 0.00 O ATOM 0 H SER A 112 11.265 -35.655 -18.277 1.00 0.00 H new ATOM 0 HA SER A 112 12.221 -36.999 -19.771 1.00 0.00 H new ATOM 0 HB2 SER A 112 9.443 -37.145 -21.018 1.00 0.00 H new ATOM 0 HB3 SER A 112 10.729 -38.319 -21.214 1.00 0.00 H new ATOM 0 HG SER A 112 9.202 -38.953 -19.588 1.00 0.00 H new ATOM 1676 N GLY A 113 12.664 -34.838 -21.311 1.00 0.00 N ATOM 1677 CA GLY A 113 13.119 -34.065 -22.452 1.00 0.00 C ATOM 1678 C GLY A 113 14.563 -33.627 -22.318 1.00 0.00 C ATOM 1679 O GLY A 113 14.894 -32.469 -22.575 1.00 0.00 O ATOM 0 H GLY A 113 13.113 -34.601 -20.426 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.006 -34.660 -23.358 1.00 0.00 H new ATOM 0 HA3 GLY A 113 12.485 -33.186 -22.567 1.00 0.00 H new TER 1683 GLY A 113