USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 39 THR OG1 : rot 160:sc= 0.125 USER MOD Set 1.2: A 48 ASN : amide:sc= -6.56! C(o=-6.4!,f=-6.3!) 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 34:sc= 0.541 USER MOD Single : A 12 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.13) USER MOD Single : A 15 THR OG1 : rot -140:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0.0851 (180deg=-0.435) USER MOD Single : A 26 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.5!) USER MOD Single : A 33 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 42:sc= 0.284 USER MOD Single : A 45 THR OG1 : rot 90:sc= -0.175 USER MOD Single : A 47 THR OG1 : rot 104:sc= 0.127 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.816 22.391 8.429 1.00 0.00 N ATOM 2 CA GLY A 1 1.672 22.001 7.322 1.00 0.00 C ATOM 3 C GLY A 1 0.969 20.987 6.416 1.00 0.00 C ATOM 4 O GLY A 1 0.553 19.925 6.874 1.00 0.00 O ATOM 0 H1 GLY A 1 1.315 23.079 9.028 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.055 22.822 8.059 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.574 21.552 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.947 22.882 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.597 21.571 7.707 1.00 0.00 H new ATOM 8 N SER A 2 0.859 21.353 5.147 1.00 0.00 N ATOM 9 CA SER A 2 0.213 20.489 4.173 1.00 0.00 C ATOM 10 C SER A 2 1.235 20.013 3.137 1.00 0.00 C ATOM 11 O SER A 2 2.226 20.694 2.881 1.00 0.00 O ATOM 12 CB SER A 2 -0.947 21.209 3.482 1.00 0.00 C ATOM 13 OG SER A 2 -1.812 20.301 2.806 1.00 0.00 O ATOM 0 H SER A 2 1.206 22.235 4.771 1.00 0.00 H new ATOM 0 HA SER A 2 -0.193 19.624 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.517 21.770 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.552 21.932 2.769 1.00 0.00 H new ATOM 0 HG SER A 2 -2.540 20.799 2.379 1.00 0.00 H new ATOM 18 N SER A 3 0.957 18.848 2.572 1.00 0.00 N ATOM 19 CA SER A 3 1.839 18.273 1.571 1.00 0.00 C ATOM 20 C SER A 3 3.143 17.813 2.225 1.00 0.00 C ATOM 21 O SER A 3 3.401 16.614 2.328 1.00 0.00 O ATOM 22 CB SER A 3 2.131 19.276 0.453 1.00 0.00 C ATOM 23 OG SER A 3 0.945 19.908 -0.020 1.00 0.00 O ATOM 0 H SER A 3 0.133 18.286 2.788 1.00 0.00 H new ATOM 0 HA SER A 3 1.339 17.412 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.825 20.034 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.624 18.764 -0.374 1.00 0.00 H new ATOM 0 HG SER A 3 1.174 20.542 -0.732 1.00 0.00 H new ATOM 28 N GLY A 4 3.931 18.789 2.650 1.00 0.00 N ATOM 29 CA GLY A 4 5.203 18.499 3.292 1.00 0.00 C ATOM 30 C GLY A 4 5.870 19.783 3.792 1.00 0.00 C ATOM 31 O GLY A 4 6.145 20.689 3.009 1.00 0.00 O ATOM 0 H GLY A 4 3.714 19.782 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.046 17.817 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.863 17.993 2.588 1.00 0.00 H new ATOM 35 N SER A 5 6.110 19.817 5.095 1.00 0.00 N ATOM 36 CA SER A 5 6.738 20.973 5.710 1.00 0.00 C ATOM 37 C SER A 5 8.213 20.678 5.992 1.00 0.00 C ATOM 38 O SER A 5 9.094 21.410 5.540 1.00 0.00 O ATOM 39 CB SER A 5 6.020 21.370 7.001 1.00 0.00 C ATOM 40 OG SER A 5 6.357 22.691 7.415 1.00 0.00 O ATOM 0 H SER A 5 5.881 19.062 5.741 1.00 0.00 H new ATOM 0 HA SER A 5 6.667 21.810 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.942 21.301 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.279 20.665 7.791 1.00 0.00 H new ATOM 0 HG SER A 5 5.877 22.907 8.242 1.00 0.00 H new ATOM 45 N SER A 6 8.437 19.607 6.738 1.00 0.00 N ATOM 46 CA SER A 6 9.790 19.207 7.086 1.00 0.00 C ATOM 47 C SER A 6 9.838 17.700 7.349 1.00 0.00 C ATOM 48 O SER A 6 9.230 17.213 8.300 1.00 0.00 O ATOM 49 CB SER A 6 10.295 19.975 8.308 1.00 0.00 C ATOM 50 OG SER A 6 11.648 20.394 8.155 1.00 0.00 O ATOM 0 H SER A 6 7.704 19.003 7.111 1.00 0.00 H new ATOM 0 HA SER A 6 10.443 19.445 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.662 20.847 8.475 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.209 19.345 9.193 1.00 0.00 H new ATOM 0 HG SER A 6 11.932 20.882 8.956 1.00 0.00 H new ATOM 55 N GLY A 7 10.569 17.005 6.489 1.00 0.00 N ATOM 56 CA GLY A 7 10.705 15.564 6.616 1.00 0.00 C ATOM 57 C GLY A 7 11.015 14.921 5.263 1.00 0.00 C ATOM 58 O GLY A 7 12.089 15.133 4.703 1.00 0.00 O ATOM 0 H GLY A 7 11.073 17.413 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.500 15.331 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.785 15.143 7.021 1.00 0.00 H new ATOM 62 N SER A 8 10.054 14.147 4.778 1.00 0.00 N ATOM 63 CA SER A 8 10.212 13.472 3.501 1.00 0.00 C ATOM 64 C SER A 8 8.842 13.088 2.940 1.00 0.00 C ATOM 65 O SER A 8 8.355 11.984 3.181 1.00 0.00 O ATOM 66 CB SER A 8 11.096 12.230 3.639 1.00 0.00 C ATOM 67 OG SER A 8 12.477 12.538 3.475 1.00 0.00 O ATOM 0 H SER A 8 9.165 13.973 5.246 1.00 0.00 H new ATOM 0 HA SER A 8 10.702 14.158 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.939 11.780 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.799 11.489 2.897 1.00 0.00 H new ATOM 0 HG SER A 8 12.657 13.434 3.829 1.00 0.00 H new ATOM 72 N PRO A 9 8.242 14.045 2.182 1.00 0.00 N ATOM 73 CA PRO A 9 6.937 13.818 1.584 1.00 0.00 C ATOM 74 C PRO A 9 7.041 12.879 0.379 1.00 0.00 C ATOM 75 O PRO A 9 7.803 13.141 -0.551 1.00 0.00 O ATOM 76 CB PRO A 9 6.426 15.201 1.217 1.00 0.00 C ATOM 77 CG PRO A 9 7.649 16.105 1.196 1.00 0.00 C ATOM 78 CD PRO A 9 8.789 15.363 1.875 1.00 0.00 C ATOM 0 HA PRO A 9 6.245 13.320 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.932 15.190 0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.693 15.552 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.917 16.361 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.441 17.041 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.658 15.289 1.221 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.113 15.878 2.779 1.00 0.00 H new ATOM 83 N ASP A 10 6.264 11.808 0.435 1.00 0.00 N ATOM 84 CA ASP A 10 6.259 10.830 -0.639 1.00 0.00 C ATOM 85 C ASP A 10 4.964 10.018 -0.579 1.00 0.00 C ATOM 86 O ASP A 10 4.564 9.561 0.491 1.00 0.00 O ATOM 87 CB ASP A 10 7.434 9.859 -0.506 1.00 0.00 C ATOM 88 CG ASP A 10 8.033 9.383 -1.830 1.00 0.00 C ATOM 89 OD1 ASP A 10 7.273 9.358 -2.821 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.240 9.055 -1.821 1.00 0.00 O ATOM 0 H ASP A 10 5.633 11.596 1.208 1.00 0.00 H new ATOM 0 HA ASP A 10 6.341 11.367 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.219 10.340 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.104 8.988 0.060 1.00 0.00 H new ATOM 94 N VAL A 11 4.345 9.864 -1.740 1.00 0.00 N ATOM 95 CA VAL A 11 3.104 9.115 -1.832 1.00 0.00 C ATOM 96 C VAL A 11 3.089 8.319 -3.139 1.00 0.00 C ATOM 97 O VAL A 11 2.060 8.239 -3.809 1.00 0.00 O ATOM 98 CB VAL A 11 1.910 10.062 -1.695 1.00 0.00 C ATOM 99 CG1 VAL A 11 0.618 9.283 -1.440 1.00 0.00 C ATOM 100 CG2 VAL A 11 2.154 11.095 -0.593 1.00 0.00 C ATOM 0 H VAL A 11 4.680 10.245 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 11 3.029 8.398 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 11 1.797 10.597 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.215 9.980 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.432 8.605 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.715 8.709 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.291 11.756 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.306 10.584 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.040 11.682 -0.834 1.00 0.00 H new ATOM 110 N GLN A 12 4.241 7.750 -3.461 1.00 0.00 N ATOM 111 CA GLN A 12 4.374 6.964 -4.675 1.00 0.00 C ATOM 112 C GLN A 12 3.967 5.513 -4.414 1.00 0.00 C ATOM 113 O GLN A 12 4.097 5.019 -3.295 1.00 0.00 O ATOM 114 CB GLN A 12 5.798 7.043 -5.228 1.00 0.00 C ATOM 115 CG GLN A 12 6.061 8.405 -5.874 1.00 0.00 C ATOM 116 CD GLN A 12 5.309 8.537 -7.200 1.00 0.00 C ATOM 117 OE1 GLN A 12 5.685 7.974 -8.215 1.00 0.00 O ATOM 118 NE2 GLN A 12 4.228 9.308 -7.135 1.00 0.00 N ATOM 0 H GLN A 12 5.091 7.818 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 12 3.705 7.380 -5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.514 6.874 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.951 6.252 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.751 9.199 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.130 8.530 -6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.969 9.750 -6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.657 9.458 -7.967 1.00 0.00 H new ATOM 125 N LEU A 13 3.482 4.869 -5.467 1.00 0.00 N ATOM 126 CA LEU A 13 3.056 3.483 -5.365 1.00 0.00 C ATOM 127 C LEU A 13 4.047 2.711 -4.493 1.00 0.00 C ATOM 128 O LEU A 13 3.648 2.006 -3.569 1.00 0.00 O ATOM 129 CB LEU A 13 2.862 2.879 -6.758 1.00 0.00 C ATOM 130 CG LEU A 13 1.528 2.169 -7.001 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.226 2.069 -8.497 1.00 0.00 C ATOM 132 CD2 LEU A 13 1.503 0.801 -6.317 1.00 0.00 C ATOM 0 H LEU A 13 3.375 5.281 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 13 2.084 3.418 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.967 3.675 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.668 2.168 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 13 0.735 2.767 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.273 1.561 -8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.172 3.070 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.017 1.505 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.544 0.318 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.306 0.181 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.640 0.929 -5.243 1.00 0.00 H new ATOM 143 N ALA A 14 5.322 2.871 -4.819 1.00 0.00 N ATOM 144 CA ALA A 14 6.374 2.198 -4.076 1.00 0.00 C ATOM 145 C ALA A 14 6.216 2.503 -2.585 1.00 0.00 C ATOM 146 O ALA A 14 6.066 1.590 -1.774 1.00 0.00 O ATOM 147 CB ALA A 14 7.738 2.631 -4.618 1.00 0.00 C ATOM 0 H ALA A 14 5.650 3.457 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 14 6.301 1.118 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.528 2.127 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.811 2.366 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.848 3.710 -4.507 1.00 0.00 H new ATOM 153 N THR A 15 6.254 3.789 -2.269 1.00 0.00 N ATOM 154 CA THR A 15 6.115 4.225 -0.890 1.00 0.00 C ATOM 155 C THR A 15 4.854 3.627 -0.265 1.00 0.00 C ATOM 156 O THR A 15 4.806 3.390 0.941 1.00 0.00 O ATOM 157 CB THR A 15 6.135 5.754 -0.874 1.00 0.00 C ATOM 158 OG1 THR A 15 7.479 6.088 -1.212 1.00 0.00 O ATOM 159 CG2 THR A 15 5.952 6.328 0.533 1.00 0.00 C ATOM 0 H THR A 15 6.379 4.543 -2.944 1.00 0.00 H new ATOM 0 HA THR A 15 6.943 3.868 -0.277 1.00 0.00 H new ATOM 0 HB THR A 15 5.348 6.133 -1.526 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.775 6.846 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.974 7.417 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.994 6.001 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.757 5.975 1.177 1.00 0.00 H new ATOM 167 N LEU A 16 3.861 3.401 -1.114 1.00 0.00 N ATOM 168 CA LEU A 16 2.603 2.835 -0.661 1.00 0.00 C ATOM 169 C LEU A 16 2.794 1.346 -0.367 1.00 0.00 C ATOM 170 O LEU A 16 2.712 0.920 0.784 1.00 0.00 O ATOM 171 CB LEU A 16 1.489 3.126 -1.670 1.00 0.00 C ATOM 172 CG LEU A 16 1.193 4.604 -1.935 1.00 0.00 C ATOM 173 CD1 LEU A 16 0.265 4.769 -3.139 1.00 0.00 C ATOM 174 CD2 LEU A 16 0.636 5.284 -0.683 1.00 0.00 C ATOM 0 H LEU A 16 3.903 3.600 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 16 2.288 3.305 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.751 2.653 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.574 2.650 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 16 2.131 5.102 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.070 5.828 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.738 4.343 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.676 4.253 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.434 6.333 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.288 4.791 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.365 5.213 0.124 1.00 0.00 H new ATOM 185 N ALA A 17 3.044 0.594 -1.429 1.00 0.00 N ATOM 186 CA ALA A 17 3.248 -0.839 -1.300 1.00 0.00 C ATOM 187 C ALA A 17 4.079 -1.121 -0.047 1.00 0.00 C ATOM 188 O ALA A 17 3.933 -2.172 0.575 1.00 0.00 O ATOM 189 CB ALA A 17 3.908 -1.377 -2.571 1.00 0.00 C ATOM 0 H ALA A 17 3.110 0.950 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 17 2.294 -1.354 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.061 -2.452 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.264 -1.178 -3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.870 -0.885 -2.718 1.00 0.00 H new ATOM 195 N GLN A 18 4.931 -0.164 0.286 1.00 0.00 N ATOM 196 CA GLN A 18 5.785 -0.297 1.454 1.00 0.00 C ATOM 197 C GLN A 18 4.937 -0.412 2.722 1.00 0.00 C ATOM 198 O GLN A 18 4.987 -1.427 3.416 1.00 0.00 O ATOM 199 CB GLN A 18 6.764 0.875 1.554 1.00 0.00 C ATOM 200 CG GLN A 18 8.048 0.585 0.777 1.00 0.00 C ATOM 201 CD GLN A 18 9.153 1.577 1.151 1.00 0.00 C ATOM 202 OE1 GLN A 18 9.779 1.484 2.193 1.00 0.00 O ATOM 203 NE2 GLN A 18 9.354 2.529 0.244 1.00 0.00 N ATOM 0 H GLN A 18 5.049 0.707 -0.232 1.00 0.00 H new ATOM 0 HA GLN A 18 6.371 -1.210 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.296 1.779 1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.003 1.065 2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.381 -0.432 0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.850 0.642 -0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.794 2.548 -0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.069 3.240 0.400 1.00 0.00 H new ATOM 210 N ARG A 19 4.178 0.641 2.986 1.00 0.00 N ATOM 211 CA ARG A 19 3.320 0.671 4.158 1.00 0.00 C ATOM 212 C ARG A 19 2.390 -0.545 4.166 1.00 0.00 C ATOM 213 O ARG A 19 2.525 -1.428 5.010 1.00 0.00 O ATOM 214 CB ARG A 19 2.478 1.948 4.192 1.00 0.00 C ATOM 215 CG ARG A 19 3.010 2.928 5.240 1.00 0.00 C ATOM 216 CD ARG A 19 1.957 3.206 6.315 1.00 0.00 C ATOM 217 NE ARG A 19 1.404 4.568 6.141 1.00 0.00 N ATOM 218 CZ ARG A 19 0.463 5.102 6.930 1.00 0.00 C ATOM 219 NH1 ARG A 19 -0.036 4.394 7.952 1.00 0.00 N ATOM 220 NH2 ARG A 19 0.020 6.346 6.697 1.00 0.00 N ATOM 0 H ARG A 19 4.139 1.480 2.408 1.00 0.00 H new ATOM 0 HA ARG A 19 3.961 0.649 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.487 2.420 3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.441 1.698 4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.908 2.519 5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.297 3.862 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.157 2.469 6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.402 3.109 7.305 1.00 0.00 H new ATOM 0 HE ARG A 19 1.762 5.135 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.301 3.448 8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.753 4.801 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.400 6.885 5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.697 6.753 7.298 1.00 0.00 H new ATOM 231 N VAL A 20 1.468 -0.550 3.215 1.00 0.00 N ATOM 232 CA VAL A 20 0.516 -1.642 3.102 1.00 0.00 C ATOM 233 C VAL A 20 1.234 -2.968 3.361 1.00 0.00 C ATOM 234 O VAL A 20 0.673 -3.871 3.980 1.00 0.00 O ATOM 235 CB VAL A 20 -0.176 -1.595 1.738 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.444 -0.741 1.796 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.779 -1.086 0.656 1.00 0.00 C ATOM 0 H VAL A 20 1.360 0.185 2.516 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.268 -1.544 3.853 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.468 -2.612 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.917 -0.724 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.135 -1.165 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.185 0.276 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.262 -1.062 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.116 -0.081 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.640 -1.751 0.588 1.00 0.00 H new ATOM 247 N LYS A 21 2.465 -3.042 2.876 1.00 0.00 N ATOM 248 CA LYS A 21 3.266 -4.243 3.048 1.00 0.00 C ATOM 249 C LYS A 21 3.708 -4.350 4.509 1.00 0.00 C ATOM 250 O LYS A 21 3.562 -5.402 5.129 1.00 0.00 O ATOM 251 CB LYS A 21 4.426 -4.260 2.051 1.00 0.00 C ATOM 252 CG LYS A 21 5.360 -5.442 2.316 1.00 0.00 C ATOM 253 CD LYS A 21 4.869 -6.701 1.598 1.00 0.00 C ATOM 254 CE LYS A 21 5.936 -7.797 1.622 1.00 0.00 C ATOM 255 NZ LYS A 21 5.686 -8.787 0.551 1.00 0.00 N ATOM 0 H LYS A 21 2.927 -2.290 2.364 1.00 0.00 H new ATOM 0 HA LYS A 21 2.674 -5.131 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.036 -4.321 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.985 -3.327 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.367 -5.197 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.419 -5.630 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.959 -7.064 2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.614 -6.459 0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.924 -7.354 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.934 -8.294 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.081 -9.708 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.662 -8.882 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.139 -8.468 -0.329 1.00 0.00 H new ATOM 265 N GLU A 22 4.240 -3.248 5.015 1.00 0.00 N ATOM 266 CA GLU A 22 4.705 -3.205 6.392 1.00 0.00 C ATOM 267 C GLU A 22 3.617 -3.723 7.335 1.00 0.00 C ATOM 268 O GLU A 22 3.916 -4.201 8.428 1.00 0.00 O ATOM 269 CB GLU A 22 5.140 -1.790 6.779 1.00 0.00 C ATOM 270 CG GLU A 22 6.665 -1.668 6.786 1.00 0.00 C ATOM 271 CD GLU A 22 7.271 -2.424 7.969 1.00 0.00 C ATOM 272 OE1 GLU A 22 6.997 -2.000 9.113 1.00 0.00 O ATOM 273 OE2 GLU A 22 7.995 -3.408 7.704 1.00 0.00 O ATOM 0 H GLU A 22 4.360 -2.378 4.497 1.00 0.00 H new ATOM 0 HA GLU A 22 5.576 -3.854 6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.717 -1.071 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.747 -1.542 7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.069 -2.062 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.949 -0.617 6.838 1.00 0.00 H new ATOM 278 N VAL A 23 2.380 -3.610 6.878 1.00 0.00 N ATOM 279 CA VAL A 23 1.246 -4.061 7.668 1.00 0.00 C ATOM 280 C VAL A 23 0.858 -5.476 7.233 1.00 0.00 C ATOM 281 O VAL A 23 0.563 -6.327 8.071 1.00 0.00 O ATOM 282 CB VAL A 23 0.094 -3.062 7.547 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.079 -3.467 8.443 1.00 0.00 C ATOM 284 CG2 VAL A 23 0.564 -1.642 7.870 1.00 0.00 C ATOM 0 H VAL A 23 2.137 -3.213 5.971 1.00 0.00 H new ATOM 0 HA VAL A 23 1.510 -4.106 8.725 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.253 -3.074 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.885 -2.740 8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.439 -4.453 8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.750 -3.497 9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.274 -0.951 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.949 -1.609 8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.352 -1.353 7.175 1.00 0.00 H new ATOM 294 N LEU A 24 0.870 -5.683 5.924 1.00 0.00 N ATOM 295 CA LEU A 24 0.523 -6.980 5.369 1.00 0.00 C ATOM 296 C LEU A 24 1.722 -7.539 4.601 1.00 0.00 C ATOM 297 O LEU A 24 1.869 -7.290 3.405 1.00 0.00 O ATOM 298 CB LEU A 24 -0.752 -6.880 4.529 1.00 0.00 C ATOM 299 CG LEU A 24 -1.899 -6.077 5.146 1.00 0.00 C ATOM 300 CD1 LEU A 24 -2.418 -5.022 4.167 1.00 0.00 C ATOM 301 CD2 LEU A 24 -3.014 -7.002 5.636 1.00 0.00 C ATOM 0 H LEU A 24 1.115 -4.974 5.232 1.00 0.00 H new ATOM 0 HA LEU A 24 0.297 -7.687 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.497 -6.432 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.110 -7.889 4.325 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.515 -5.546 6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.233 -4.465 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.611 -4.336 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.781 -5.512 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.817 -6.406 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.403 -7.579 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.618 -7.681 6.391 1.00 0.00 H new ATOM 312 N PRO A 25 2.572 -8.302 5.338 1.00 0.00 N ATOM 313 CA PRO A 25 3.755 -8.898 4.739 1.00 0.00 C ATOM 314 C PRO A 25 3.381 -10.097 3.864 1.00 0.00 C ATOM 315 O PRO A 25 3.884 -10.238 2.750 1.00 0.00 O ATOM 316 CB PRO A 25 4.644 -9.274 5.912 1.00 0.00 C ATOM 317 CG PRO A 25 3.736 -9.302 7.132 1.00 0.00 C ATOM 318 CD PRO A 25 2.431 -8.618 6.757 1.00 0.00 C ATOM 0 HA PRO A 25 4.275 -8.216 4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.112 -10.245 5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.448 -8.550 6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.552 -10.329 7.447 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.208 -8.791 7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.577 -9.271 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.272 -7.717 7.349 1.00 0.00 H new ATOM 323 N HIS A 26 2.502 -10.930 4.402 1.00 0.00 N ATOM 324 CA HIS A 26 2.056 -12.112 3.684 1.00 0.00 C ATOM 325 C HIS A 26 1.792 -11.754 2.220 1.00 0.00 C ATOM 326 O HIS A 26 2.527 -12.183 1.331 1.00 0.00 O ATOM 327 CB HIS A 26 0.839 -12.736 4.370 1.00 0.00 C ATOM 328 CG HIS A 26 -0.117 -11.728 4.962 1.00 0.00 C ATOM 329 ND1 HIS A 26 -1.233 -11.267 4.287 1.00 0.00 N ATOM 330 CD2 HIS A 26 -0.111 -11.099 6.173 1.00 0.00 C ATOM 331 CE1 HIS A 26 -1.864 -10.399 5.065 1.00 0.00 C ATOM 332 NE2 HIS A 26 -1.167 -10.296 6.233 1.00 0.00 N ATOM 0 H HIS A 26 2.087 -10.810 5.326 1.00 0.00 H new ATOM 0 HA HIS A 26 2.839 -12.870 3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.302 -13.349 3.647 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.183 -13.403 5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.627 -11.232 6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.771 -9.867 4.818 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.416 -9.700 7.023 1.00 0.00 H new ATOM 339 N VAL A 27 0.742 -10.973 2.014 1.00 0.00 N ATOM 340 CA VAL A 27 0.373 -10.553 0.673 1.00 0.00 C ATOM 341 C VAL A 27 1.624 -10.082 -0.072 1.00 0.00 C ATOM 342 O VAL A 27 2.506 -9.461 0.520 1.00 0.00 O ATOM 343 CB VAL A 27 -0.720 -9.485 0.741 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.343 -8.376 1.726 1.00 0.00 C ATOM 345 CG2 VAL A 27 -1.012 -8.910 -0.646 1.00 0.00 C ATOM 0 H VAL A 27 0.135 -10.620 2.754 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.044 -11.390 0.112 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.631 -9.961 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.137 -7.630 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.209 -8.802 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.586 -7.905 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.793 -8.153 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.106 -8.458 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.345 -9.709 -1.308 1.00 0.00 H new ATOM 355 N PRO A 28 1.662 -10.403 -1.392 1.00 0.00 N ATOM 356 CA PRO A 28 2.789 -10.020 -2.224 1.00 0.00 C ATOM 357 C PRO A 28 2.745 -8.525 -2.552 1.00 0.00 C ATOM 358 O PRO A 28 1.705 -7.885 -2.407 1.00 0.00 O ATOM 359 CB PRO A 28 2.687 -10.902 -3.457 1.00 0.00 C ATOM 360 CG PRO A 28 1.256 -11.415 -3.486 1.00 0.00 C ATOM 361 CD PRO A 28 0.635 -11.137 -2.126 1.00 0.00 C ATOM 0 HA PRO A 28 3.748 -10.165 -1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.918 -10.338 -4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.397 -11.728 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.688 -10.919 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.237 -12.483 -3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.279 -10.551 -2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.369 -12.063 -1.616 1.00 0.00 H new ATOM 366 N LEU A 29 3.887 -8.014 -2.990 1.00 0.00 N ATOM 367 CA LEU A 29 3.991 -6.608 -3.341 1.00 0.00 C ATOM 368 C LEU A 29 3.351 -6.379 -4.711 1.00 0.00 C ATOM 369 O LEU A 29 2.618 -5.410 -4.903 1.00 0.00 O ATOM 370 CB LEU A 29 5.446 -6.142 -3.256 1.00 0.00 C ATOM 371 CG LEU A 29 5.961 -5.796 -1.857 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.490 -5.789 -1.821 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.369 -4.473 -1.367 1.00 0.00 C ATOM 0 H LEU A 29 4.747 -8.548 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 29 3.441 -5.995 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.082 -6.924 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.563 -5.264 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 29 5.627 -6.572 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.829 -5.540 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.865 -6.775 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.867 -5.047 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.751 -4.250 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.651 -3.673 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.283 -4.552 -1.330 1.00 0.00 H new ATOM 384 N GLY A 30 3.651 -7.287 -5.627 1.00 0.00 N ATOM 385 CA GLY A 30 3.112 -7.197 -6.974 1.00 0.00 C ATOM 386 C GLY A 30 1.607 -6.923 -6.946 1.00 0.00 C ATOM 387 O GLY A 30 1.136 -5.964 -7.556 1.00 0.00 O ATOM 0 H GLY A 30 4.260 -8.089 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.620 -6.402 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.306 -8.126 -7.510 1.00 0.00 H new ATOM 391 N VAL A 31 0.895 -7.783 -6.233 1.00 0.00 N ATOM 392 CA VAL A 31 -0.547 -7.645 -6.118 1.00 0.00 C ATOM 393 C VAL A 31 -0.874 -6.328 -5.412 1.00 0.00 C ATOM 394 O VAL A 31 -1.727 -5.569 -5.871 1.00 0.00 O ATOM 395 CB VAL A 31 -1.134 -8.866 -5.408 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.065 -8.702 -3.887 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.569 -9.131 -5.866 1.00 0.00 C ATOM 0 H VAL A 31 1.289 -8.578 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.007 -7.607 -7.105 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.531 -9.732 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.489 -9.584 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.025 -8.586 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.632 -7.819 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.962 -10.004 -5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.189 -8.264 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.580 -9.314 -6.941 1.00 0.00 H new ATOM 407 N ILE A 32 -0.181 -6.097 -4.307 1.00 0.00 N ATOM 408 CA ILE A 32 -0.388 -4.885 -3.533 1.00 0.00 C ATOM 409 C ILE A 32 -0.466 -3.687 -4.482 1.00 0.00 C ATOM 410 O ILE A 32 -1.416 -2.908 -4.427 1.00 0.00 O ATOM 411 CB ILE A 32 0.689 -4.747 -2.455 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.378 -5.640 -1.252 1.00 0.00 C ATOM 413 CG2 ILE A 32 0.875 -3.283 -2.050 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.639 -5.908 -0.428 1.00 0.00 C ATOM 0 H ILE A 32 0.525 -6.729 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.337 -4.931 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 32 1.636 -5.088 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.376 -5.163 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.044 -6.585 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.646 -3.213 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.175 -2.700 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.064 -2.892 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.390 -6.545 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.381 -6.407 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.045 -4.963 -0.066 1.00 0.00 H new ATOM 425 N GLN A 33 0.547 -3.577 -5.329 1.00 0.00 N ATOM 426 CA GLN A 33 0.606 -2.487 -6.288 1.00 0.00 C ATOM 427 C GLN A 33 -0.688 -2.425 -7.101 1.00 0.00 C ATOM 428 O GLN A 33 -1.280 -1.357 -7.252 1.00 0.00 O ATOM 429 CB GLN A 33 1.823 -2.628 -7.205 1.00 0.00 C ATOM 430 CG GLN A 33 3.096 -2.146 -6.505 1.00 0.00 C ATOM 431 CD GLN A 33 4.158 -1.731 -7.525 1.00 0.00 C ATOM 432 OE1 GLN A 33 4.152 -0.631 -8.054 1.00 0.00 O ATOM 433 NE2 GLN A 33 5.068 -2.669 -7.770 1.00 0.00 N ATOM 0 H GLN A 33 1.334 -4.225 -5.371 1.00 0.00 H new ATOM 0 HA GLN A 33 0.713 -1.552 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.940 -3.670 -7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.665 -2.052 -8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.861 -1.303 -5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.488 -2.939 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.014 -3.569 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.820 -2.489 -8.436 1.00 0.00 H new ATOM 440 N ARG A 34 -1.090 -3.583 -7.604 1.00 0.00 N ATOM 441 CA ARG A 34 -2.304 -3.675 -8.398 1.00 0.00 C ATOM 442 C ARG A 34 -3.515 -3.245 -7.567 1.00 0.00 C ATOM 443 O ARG A 34 -4.358 -2.484 -8.040 1.00 0.00 O ATOM 444 CB ARG A 34 -2.523 -5.100 -8.907 1.00 0.00 C ATOM 445 CG ARG A 34 -3.223 -5.095 -10.268 1.00 0.00 C ATOM 446 CD ARG A 34 -2.216 -5.296 -11.402 1.00 0.00 C ATOM 447 NE ARG A 34 -2.924 -5.362 -12.701 1.00 0.00 N ATOM 448 CZ ARG A 34 -3.526 -6.461 -13.173 1.00 0.00 C ATOM 449 NH1 ARG A 34 -3.511 -7.594 -12.456 1.00 0.00 N ATOM 450 NH2 ARG A 34 -4.145 -6.429 -14.362 1.00 0.00 N ATOM 0 H ARG A 34 -0.596 -4.466 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.192 -3.010 -9.254 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.564 -5.612 -8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.122 -5.659 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.973 -5.885 -10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.749 -4.151 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.497 -4.476 -11.411 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.651 -6.214 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.955 -4.517 -13.272 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.041 -7.619 -11.551 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.970 -8.431 -12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.157 -5.567 -14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.603 -7.266 -14.721 1.00 0.00 H new ATOM 461 N ASP A 35 -3.562 -3.749 -6.343 1.00 0.00 N ATOM 462 CA ASP A 35 -4.655 -3.426 -5.442 1.00 0.00 C ATOM 463 C ASP A 35 -4.709 -1.912 -5.234 1.00 0.00 C ATOM 464 O ASP A 35 -5.777 -1.354 -4.985 1.00 0.00 O ATOM 465 CB ASP A 35 -4.455 -4.085 -4.075 1.00 0.00 C ATOM 466 CG ASP A 35 -4.311 -5.608 -4.106 1.00 0.00 C ATOM 467 OD1 ASP A 35 -4.843 -6.209 -5.065 1.00 0.00 O ATOM 468 OD2 ASP A 35 -3.672 -6.136 -3.170 1.00 0.00 O ATOM 0 H ASP A 35 -2.861 -4.379 -5.954 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.579 -3.794 -5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.565 -3.660 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.301 -3.828 -3.437 1.00 0.00 H new ATOM 472 N LEU A 36 -3.545 -1.290 -5.344 1.00 0.00 N ATOM 473 CA LEU A 36 -3.446 0.149 -5.171 1.00 0.00 C ATOM 474 C LEU A 36 -4.050 0.849 -6.390 1.00 0.00 C ATOM 475 O LEU A 36 -4.857 1.765 -6.248 1.00 0.00 O ATOM 476 CB LEU A 36 -2.000 0.556 -4.883 1.00 0.00 C ATOM 477 CG LEU A 36 -1.581 0.550 -3.411 1.00 0.00 C ATOM 478 CD1 LEU A 36 -0.089 0.248 -3.266 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.970 1.861 -2.724 1.00 0.00 C ATOM 0 H LEU A 36 -2.662 -1.756 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.022 0.468 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.339 -0.115 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.839 1.558 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.122 -0.251 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.182 0.250 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.127 -0.731 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.489 1.009 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.661 1.830 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.476 2.694 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.050 1.994 -2.779 1.00 0.00 H new ATOM 490 N ALA A 37 -3.636 0.388 -7.562 1.00 0.00 N ATOM 491 CA ALA A 37 -4.126 0.957 -8.805 1.00 0.00 C ATOM 492 C ALA A 37 -5.656 0.949 -8.797 1.00 0.00 C ATOM 493 O ALA A 37 -6.287 1.821 -9.391 1.00 0.00 O ATOM 494 CB ALA A 37 -3.545 0.178 -9.987 1.00 0.00 C ATOM 0 H ALA A 37 -2.967 -0.373 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.803 1.993 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.913 0.605 -10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.457 0.239 -9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.851 -0.866 -9.920 1.00 0.00 H new ATOM 500 N LYS A 38 -6.206 -0.046 -8.117 1.00 0.00 N ATOM 501 CA LYS A 38 -7.650 -0.178 -8.023 1.00 0.00 C ATOM 502 C LYS A 38 -8.243 1.121 -7.474 1.00 0.00 C ATOM 503 O LYS A 38 -9.361 1.495 -7.826 1.00 0.00 O ATOM 504 CB LYS A 38 -8.023 -1.418 -7.207 1.00 0.00 C ATOM 505 CG LYS A 38 -8.546 -2.534 -8.113 1.00 0.00 C ATOM 506 CD LYS A 38 -7.449 -3.037 -9.053 1.00 0.00 C ATOM 507 CE LYS A 38 -7.819 -2.779 -10.514 1.00 0.00 C ATOM 508 NZ LYS A 38 -6.707 -3.174 -11.408 1.00 0.00 N ATOM 0 H LYS A 38 -5.678 -0.768 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.083 -0.333 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.151 -1.771 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.782 -1.158 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.914 -3.359 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.390 -2.168 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.508 -2.539 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.292 -4.104 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.718 -3.339 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.050 -1.723 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.975 -2.992 -12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.859 -2.621 -11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.505 -4.187 -11.285 1.00 0.00 H new ATOM 518 N THR A 39 -7.469 1.772 -6.619 1.00 0.00 N ATOM 519 CA THR A 39 -7.903 3.022 -6.018 1.00 0.00 C ATOM 520 C THR A 39 -6.766 4.045 -6.033 1.00 0.00 C ATOM 521 O THR A 39 -6.681 4.873 -6.938 1.00 0.00 O ATOM 522 CB THR A 39 -8.424 2.713 -4.613 1.00 0.00 C ATOM 523 OG1 THR A 39 -7.531 1.720 -4.121 1.00 0.00 O ATOM 524 CG2 THR A 39 -9.785 2.014 -4.634 1.00 0.00 C ATOM 0 H THR A 39 -6.543 1.458 -6.328 1.00 0.00 H new ATOM 0 HA THR A 39 -8.713 3.476 -6.589 1.00 0.00 H new ATOM 0 HB THR A 39 -8.500 3.639 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.581 1.691 -3.143 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.109 1.818 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.515 2.654 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.702 1.072 -5.176 1.00 0.00 H new ATOM 532 N GLY A 40 -5.917 3.954 -5.018 1.00 0.00 N ATOM 533 CA GLY A 40 -4.789 4.862 -4.903 1.00 0.00 C ATOM 534 C GLY A 40 -4.753 5.520 -3.523 1.00 0.00 C ATOM 535 O GLY A 40 -4.496 6.717 -3.409 1.00 0.00 O ATOM 0 H GLY A 40 -5.989 3.265 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.860 4.317 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.855 5.630 -5.674 1.00 0.00 H new ATOM 539 N CYS A 41 -5.014 4.709 -2.509 1.00 0.00 N ATOM 540 CA CYS A 41 -5.015 5.198 -1.140 1.00 0.00 C ATOM 541 C CYS A 41 -4.853 4.000 -0.202 1.00 0.00 C ATOM 542 O CYS A 41 -5.679 3.089 -0.205 1.00 0.00 O ATOM 543 CB CYS A 41 -6.280 6.001 -0.828 1.00 0.00 C ATOM 544 SG CYS A 41 -5.922 7.793 -0.920 1.00 0.00 S ATOM 0 H CYS A 41 -5.226 3.716 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.182 5.886 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.068 5.742 -1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.647 5.746 0.166 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.164 8.032 -1.949 1.00 0.00 H new ATOM 549 N VAL A 42 -3.784 4.041 0.578 1.00 0.00 N ATOM 550 CA VAL A 42 -3.502 2.971 1.520 1.00 0.00 C ATOM 551 C VAL A 42 -4.762 2.670 2.335 1.00 0.00 C ATOM 552 O VAL A 42 -5.220 1.530 2.379 1.00 0.00 O ATOM 553 CB VAL A 42 -2.301 3.342 2.391 1.00 0.00 C ATOM 554 CG1 VAL A 42 -1.029 3.460 1.550 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.566 4.632 3.169 1.00 0.00 C ATOM 0 H VAL A 42 -3.102 4.799 0.577 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.231 2.058 0.990 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.151 2.540 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.190 3.725 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.825 2.507 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.163 4.233 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.696 4.873 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.755 5.446 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.436 4.497 3.812 1.00 0.00 H new ATOM 565 N ASP A 43 -5.288 3.714 2.959 1.00 0.00 N ATOM 566 CA ASP A 43 -6.485 3.577 3.769 1.00 0.00 C ATOM 567 C ASP A 43 -7.545 2.804 2.980 1.00 0.00 C ATOM 568 O ASP A 43 -8.333 2.058 3.558 1.00 0.00 O ATOM 569 CB ASP A 43 -7.068 4.945 4.129 1.00 0.00 C ATOM 570 CG ASP A 43 -7.815 5.000 5.462 1.00 0.00 C ATOM 571 OD1 ASP A 43 -7.233 4.521 6.459 1.00 0.00 O ATOM 572 OD2 ASP A 43 -8.953 5.519 5.454 1.00 0.00 O ATOM 0 H ASP A 43 -4.906 4.659 2.919 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.213 3.049 4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.257 5.673 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.749 5.253 3.335 1.00 0.00 H new ATOM 576 N LEU A 44 -7.527 3.010 1.671 1.00 0.00 N ATOM 577 CA LEU A 44 -8.477 2.343 0.797 1.00 0.00 C ATOM 578 C LEU A 44 -7.986 0.923 0.508 1.00 0.00 C ATOM 579 O LEU A 44 -8.726 -0.043 0.696 1.00 0.00 O ATOM 580 CB LEU A 44 -8.723 3.176 -0.463 1.00 0.00 C ATOM 581 CG LEU A 44 -9.939 4.104 -0.427 1.00 0.00 C ATOM 582 CD1 LEU A 44 -9.984 4.899 0.879 1.00 0.00 C ATOM 583 CD2 LEU A 44 -9.969 5.016 -1.655 1.00 0.00 C ATOM 0 H LEU A 44 -6.870 3.629 1.195 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.447 2.253 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.836 3.780 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.834 2.496 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.839 3.489 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.858 5.551 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.045 4.211 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.081 5.503 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.843 5.665 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.065 5.625 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.020 4.408 -2.558 1.00 0.00 H new ATOM 594 N THR A 45 -6.744 0.840 0.056 1.00 0.00 N ATOM 595 CA THR A 45 -6.147 -0.446 -0.260 1.00 0.00 C ATOM 596 C THR A 45 -6.212 -1.377 0.953 1.00 0.00 C ATOM 597 O THR A 45 -6.782 -2.465 0.875 1.00 0.00 O ATOM 598 CB THR A 45 -4.721 -0.196 -0.757 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.901 0.414 -2.033 1.00 0.00 O ATOM 600 CG2 THR A 45 -3.973 -1.494 -1.065 1.00 0.00 C ATOM 0 H THR A 45 -6.134 1.643 -0.099 1.00 0.00 H new ATOM 0 HA THR A 45 -6.699 -0.954 -1.051 1.00 0.00 H new ATOM 0 HB THR A 45 -4.169 0.371 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.951 1.387 -1.926 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.967 -1.260 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.912 -2.102 -0.162 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.506 -2.046 -1.839 1.00 0.00 H new ATOM 608 N ILE A 46 -5.622 -0.916 2.046 1.00 0.00 N ATOM 609 CA ILE A 46 -5.608 -1.693 3.273 1.00 0.00 C ATOM 610 C ILE A 46 -6.978 -2.343 3.477 1.00 0.00 C ATOM 611 O ILE A 46 -7.066 -3.493 3.906 1.00 0.00 O ATOM 612 CB ILE A 46 -5.155 -0.828 4.450 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.412 -1.666 5.493 1.00 0.00 C ATOM 614 CG2 ILE A 46 -6.336 -0.070 5.059 1.00 0.00 C ATOM 615 CD1 ILE A 46 -3.234 -0.889 6.083 1.00 0.00 C ATOM 0 H ILE A 46 -5.150 -0.014 2.107 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.880 -2.501 3.203 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.452 -0.083 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.098 -1.953 6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.052 -2.587 5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.987 0.537 5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.783 0.575 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.081 -0.782 5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.723 -1.507 6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.538 -0.624 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.600 0.019 6.562 1.00 0.00 H new ATOM 626 N THR A 47 -8.013 -1.578 3.161 1.00 0.00 N ATOM 627 CA THR A 47 -9.374 -2.064 3.305 1.00 0.00 C ATOM 628 C THR A 47 -9.728 -3.008 2.154 1.00 0.00 C ATOM 629 O THR A 47 -10.034 -4.179 2.379 1.00 0.00 O ATOM 630 CB THR A 47 -10.301 -0.851 3.402 1.00 0.00 C ATOM 631 OG1 THR A 47 -10.032 -0.310 4.693 1.00 0.00 O ATOM 632 CG2 THR A 47 -11.778 -1.246 3.465 1.00 0.00 C ATOM 0 H THR A 47 -7.936 -0.625 2.806 1.00 0.00 H new ATOM 0 HA THR A 47 -9.489 -2.653 4.215 1.00 0.00 H new ATOM 0 HB THR A 47 -10.135 -0.199 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.477 0.492 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.392 -0.348 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.045 -1.801 2.566 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.950 -1.871 4.341 1.00 0.00 H new ATOM 640 N ASN A 48 -9.673 -2.466 0.947 1.00 0.00 N ATOM 641 CA ASN A 48 -9.983 -3.245 -0.239 1.00 0.00 C ATOM 642 C ASN A 48 -9.283 -4.603 -0.149 1.00 0.00 C ATOM 643 O ASN A 48 -9.757 -5.588 -0.713 1.00 0.00 O ATOM 644 CB ASN A 48 -9.489 -2.541 -1.505 1.00 0.00 C ATOM 645 CG ASN A 48 -9.864 -1.058 -1.490 1.00 0.00 C ATOM 646 OD1 ASN A 48 -10.897 -0.658 -0.979 1.00 0.00 O ATOM 647 ND2 ASN A 48 -8.971 -0.268 -2.078 1.00 0.00 N ATOM 0 H ASN A 48 -9.418 -1.495 0.765 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.065 -3.364 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.407 -2.645 -1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.921 -3.020 -2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.130 0.739 -2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.126 -0.668 -2.486 1.00 0.00 H new ATOM 653 N LEU A 49 -8.166 -4.611 0.563 1.00 0.00 N ATOM 654 CA LEU A 49 -7.397 -5.832 0.734 1.00 0.00 C ATOM 655 C LEU A 49 -8.297 -6.918 1.326 1.00 0.00 C ATOM 656 O LEU A 49 -8.525 -7.951 0.697 1.00 0.00 O ATOM 657 CB LEU A 49 -6.137 -5.559 1.559 1.00 0.00 C ATOM 658 CG LEU A 49 -4.834 -5.426 0.769 1.00 0.00 C ATOM 659 CD1 LEU A 49 -4.059 -4.177 1.196 1.00 0.00 C ATOM 660 CD2 LEU A 49 -3.986 -6.695 0.891 1.00 0.00 C ATOM 0 H LEU A 49 -7.775 -3.792 1.028 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.046 -6.200 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.290 -4.641 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.019 -6.365 2.283 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.085 -5.306 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.137 -4.106 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.669 -3.291 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.819 -4.243 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.065 -6.574 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.743 -6.871 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.545 -7.545 0.501 1.00 0.00 H new ATOM 671 N LEU A 50 -8.783 -6.649 2.529 1.00 0.00 N ATOM 672 CA LEU A 50 -9.654 -7.591 3.212 1.00 0.00 C ATOM 673 C LEU A 50 -11.101 -7.350 2.777 1.00 0.00 C ATOM 674 O LEU A 50 -11.722 -8.219 2.167 1.00 0.00 O ATOM 675 CB LEU A 50 -9.444 -7.512 4.726 1.00 0.00 C ATOM 676 CG LEU A 50 -8.109 -8.045 5.247 1.00 0.00 C ATOM 677 CD1 LEU A 50 -7.452 -7.042 6.198 1.00 0.00 C ATOM 678 CD2 LEU A 50 -8.284 -9.420 5.895 1.00 0.00 C ATOM 0 H LEU A 50 -8.590 -5.792 3.048 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.404 -8.614 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.541 -6.470 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.248 -8.064 5.213 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.436 -8.172 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.504 -7.445 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.272 -6.105 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.111 -6.860 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.320 -9.777 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.980 -9.343 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.677 -10.122 5.159 1.00 0.00 H new ATOM 689 N GLU A 51 -11.595 -6.166 3.107 1.00 0.00 N ATOM 690 CA GLU A 51 -12.957 -5.801 2.758 1.00 0.00 C ATOM 691 C GLU A 51 -13.291 -6.283 1.345 1.00 0.00 C ATOM 692 O GLU A 51 -13.959 -7.301 1.175 1.00 0.00 O ATOM 693 CB GLU A 51 -13.169 -4.291 2.886 1.00 0.00 C ATOM 694 CG GLU A 51 -14.314 -3.978 3.851 1.00 0.00 C ATOM 695 CD GLU A 51 -15.588 -3.607 3.089 1.00 0.00 C ATOM 696 OE1 GLU A 51 -15.444 -3.030 1.989 1.00 0.00 O ATOM 697 OE2 GLU A 51 -16.677 -3.910 3.623 1.00 0.00 O ATOM 0 H GLU A 51 -11.077 -5.447 3.612 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.634 -6.291 3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.252 -3.820 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.388 -3.867 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.505 -4.843 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.027 -3.157 4.508 1.00 0.00 H new ATOM 702 N GLY A 52 -12.810 -5.530 0.368 1.00 0.00 N ATOM 703 CA GLY A 52 -13.049 -5.868 -1.025 1.00 0.00 C ATOM 704 C GLY A 52 -13.500 -4.639 -1.818 1.00 0.00 C ATOM 705 O GLY A 52 -14.538 -4.050 -1.521 1.00 0.00 O ATOM 0 H GLY A 52 -12.255 -4.686 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.139 -6.275 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.810 -6.646 -1.089 1.00 0.00 H new ATOM 709 N ALA A 53 -12.696 -4.289 -2.812 1.00 0.00 N ATOM 710 CA ALA A 53 -12.999 -3.142 -3.650 1.00 0.00 C ATOM 711 C ALA A 53 -12.029 -3.109 -4.833 1.00 0.00 C ATOM 712 O ALA A 53 -11.034 -2.385 -4.805 1.00 0.00 O ATOM 713 CB ALA A 53 -12.937 -1.865 -2.810 1.00 0.00 C ATOM 0 H ALA A 53 -11.836 -4.780 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.009 -3.218 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.164 -1.004 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.665 -1.926 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.937 -1.754 -2.390 1.00 0.00 H new ATOM 719 N VAL A 54 -12.353 -3.902 -5.845 1.00 0.00 N ATOM 720 CA VAL A 54 -11.523 -3.972 -7.034 1.00 0.00 C ATOM 721 C VAL A 54 -12.415 -3.920 -8.277 1.00 0.00 C ATOM 722 O VAL A 54 -13.366 -4.690 -8.395 1.00 0.00 O ATOM 723 CB VAL A 54 -10.641 -5.221 -6.983 1.00 0.00 C ATOM 724 CG1 VAL A 54 -9.879 -5.408 -8.297 1.00 0.00 C ATOM 725 CG2 VAL A 54 -9.678 -5.164 -5.796 1.00 0.00 C ATOM 0 H VAL A 54 -13.179 -4.501 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.849 -3.116 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.292 -6.085 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.260 -6.303 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.589 -5.515 -9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.245 -4.540 -8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.063 -6.064 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.037 -4.287 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.247 -5.100 -4.869 1.00 0.00 H new ATOM 735 N ALA A 55 -12.074 -3.005 -9.172 1.00 0.00 N ATOM 736 CA ALA A 55 -12.833 -2.843 -10.401 1.00 0.00 C ATOM 737 C ALA A 55 -11.865 -2.648 -11.570 1.00 0.00 C ATOM 738 O ALA A 55 -11.043 -1.733 -11.555 1.00 0.00 O ATOM 739 CB ALA A 55 -13.807 -1.673 -10.251 1.00 0.00 C ATOM 0 H ALA A 55 -11.283 -2.369 -9.071 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.425 -3.735 -10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.376 -1.552 -11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.491 -1.873 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.249 -0.759 -10.047 1.00 0.00 H new ATOM 745 N PHE A 56 -11.994 -3.524 -12.557 1.00 0.00 N ATOM 746 CA PHE A 56 -11.141 -3.460 -13.731 1.00 0.00 C ATOM 747 C PHE A 56 -11.421 -2.194 -14.544 1.00 0.00 C ATOM 748 O PHE A 56 -12.568 -1.760 -14.649 1.00 0.00 O ATOM 749 CB PHE A 56 -11.467 -4.684 -14.588 1.00 0.00 C ATOM 750 CG PHE A 56 -12.809 -4.593 -15.319 1.00 0.00 C ATOM 751 CD1 PHE A 56 -13.951 -4.990 -14.696 1.00 0.00 C ATOM 752 CD2 PHE A 56 -12.860 -4.115 -16.591 1.00 0.00 C ATOM 753 CE1 PHE A 56 -15.196 -4.906 -15.374 1.00 0.00 C ATOM 754 CE2 PHE A 56 -14.104 -4.029 -17.269 1.00 0.00 C ATOM 755 CZ PHE A 56 -15.246 -4.428 -16.646 1.00 0.00 C ATOM 0 H PHE A 56 -12.677 -4.282 -12.567 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.094 -3.442 -13.429 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.674 -4.822 -15.322 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.471 -5.569 -13.952 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -13.911 -5.369 -13.686 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.953 -3.800 -17.086 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -16.103 -5.222 -14.880 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -14.144 -3.647 -18.278 1.00 0.00 H new ATOM 0 HZ PHE A 56 -16.193 -4.365 -17.162 1.00 0.00 H new ATOM 764 N MET A 57 -10.355 -1.636 -15.098 1.00 0.00 N ATOM 765 CA MET A 57 -10.472 -0.429 -15.897 1.00 0.00 C ATOM 766 C MET A 57 -10.858 -0.762 -17.339 1.00 0.00 C ATOM 767 O MET A 57 -10.097 -1.408 -18.057 1.00 0.00 O ATOM 768 CB MET A 57 -9.138 0.322 -15.887 1.00 0.00 C ATOM 769 CG MET A 57 -9.345 1.803 -15.564 1.00 0.00 C ATOM 770 SD MET A 57 -9.212 2.070 -13.805 1.00 0.00 S ATOM 771 CE MET A 57 -8.492 3.703 -13.793 1.00 0.00 C ATOM 0 H MET A 57 -9.406 -1.998 -15.009 1.00 0.00 H new ATOM 0 HA MET A 57 -11.254 0.195 -15.465 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.471 -0.125 -15.150 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.653 0.222 -16.858 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.603 2.405 -16.088 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.324 2.127 -15.916 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.341 4.026 -12.763 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.533 3.682 -14.311 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.162 4.400 -14.297 1.00 0.00 H new ATOM 779 N PRO A 58 -12.074 -0.293 -17.731 1.00 0.00 N ATOM 780 CA PRO A 58 -12.571 -0.534 -19.076 1.00 0.00 C ATOM 781 C PRO A 58 -11.859 0.360 -20.092 1.00 0.00 C ATOM 782 O PRO A 58 -11.098 1.250 -19.716 1.00 0.00 O ATOM 783 CB PRO A 58 -14.066 -0.269 -18.995 1.00 0.00 C ATOM 784 CG PRO A 58 -14.275 0.555 -17.735 1.00 0.00 C ATOM 785 CD PRO A 58 -13.002 0.476 -16.909 1.00 0.00 C ATOM 0 HA PRO A 58 -12.378 -1.550 -19.421 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.416 0.269 -19.876 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.626 -1.203 -18.949 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.501 1.590 -17.989 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -15.123 0.174 -17.166 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.609 1.469 -16.692 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -13.181 -0.013 -15.951 1.00 0.00 H new ATOM 790 N GLU A 59 -12.131 0.093 -21.361 1.00 0.00 N ATOM 791 CA GLU A 59 -11.527 0.862 -22.435 1.00 0.00 C ATOM 792 C GLU A 59 -12.534 1.076 -23.567 1.00 0.00 C ATOM 793 O GLU A 59 -13.481 0.305 -23.713 1.00 0.00 O ATOM 794 CB GLU A 59 -10.259 0.180 -22.951 1.00 0.00 C ATOM 795 CG GLU A 59 -9.007 0.821 -22.347 1.00 0.00 C ATOM 796 CD GLU A 59 -8.170 -0.216 -21.593 1.00 0.00 C ATOM 797 OE1 GLU A 59 -8.668 -0.699 -20.553 1.00 0.00 O ATOM 798 OE2 GLU A 59 -7.052 -0.500 -22.074 1.00 0.00 O ATOM 0 H GLU A 59 -12.763 -0.646 -21.669 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.241 1.837 -22.041 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.285 -0.881 -22.702 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.220 0.251 -24.038 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.408 1.272 -23.138 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.296 1.624 -21.668 1.00 0.00 H new ATOM 803 N ASP A 60 -12.294 2.126 -24.338 1.00 0.00 N ATOM 804 CA ASP A 60 -13.169 2.451 -25.452 1.00 0.00 C ATOM 805 C ASP A 60 -12.669 3.728 -26.132 1.00 0.00 C ATOM 806 O ASP A 60 -12.629 4.791 -25.512 1.00 0.00 O ATOM 807 CB ASP A 60 -14.601 2.699 -24.975 1.00 0.00 C ATOM 808 CG ASP A 60 -15.677 1.913 -25.724 1.00 0.00 C ATOM 809 OD1 ASP A 60 -15.341 0.813 -26.213 1.00 0.00 O ATOM 810 OD2 ASP A 60 -16.815 2.429 -25.791 1.00 0.00 O ATOM 0 H ASP A 60 -11.507 2.763 -24.214 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.161 1.608 -26.143 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.663 2.451 -23.915 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.819 3.763 -25.067 1.00 0.00 H new ATOM 814 N ILE A 61 -12.300 3.582 -27.395 1.00 0.00 N ATOM 815 CA ILE A 61 -11.804 4.710 -28.166 1.00 0.00 C ATOM 816 C ILE A 61 -12.974 5.626 -28.530 1.00 0.00 C ATOM 817 O ILE A 61 -12.768 6.756 -28.972 1.00 0.00 O ATOM 818 CB ILE A 61 -11.004 4.223 -29.375 1.00 0.00 C ATOM 819 CG1 ILE A 61 -9.906 3.245 -28.949 1.00 0.00 C ATOM 820 CG2 ILE A 61 -10.444 5.402 -30.172 1.00 0.00 C ATOM 821 CD1 ILE A 61 -8.638 3.993 -28.531 1.00 0.00 C ATOM 0 H ILE A 61 -12.334 2.699 -27.905 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.108 5.302 -27.571 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.680 3.680 -30.036 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.261 2.632 -28.120 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.678 2.567 -29.772 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.879 5.028 -31.026 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -11.265 6.026 -30.525 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.787 5.994 -29.534 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.874 3.275 -28.233 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.272 4.586 -29.369 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.864 4.652 -27.692 1.00 0.00 H new TER 832 ILE A 61