USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 748 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 THR OG1 : 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= -0.468 (180deg=-1.76!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 123:sc= -2.72! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 29:sc= 1.1 USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= -0.0289 (180deg=-0.305) USER MOD Single : A 42 CYS SG : rot 52:sc= 0.119 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc=-0.00402 (180deg=-0.282) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.96 F(o=-3!,f=-2) USER MOD Single : A 62 MET CE :methyl -113:sc= -2.92! (180deg=-5.87!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0162 F(o=-1,f=-0.016) USER MOD Single : A 75 SER OG : rot 89:sc= 1.22 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 43:sc= 0.968 USER MOD Single : A 80 CYS SG : rot 11:sc= 1.16 USER MOD Single : A 85 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.9!) USER MOD Single : A 87 THR OG1 : rot -97:sc= -2.84! USER MOD Single : A 88 SER OG : rot 180:sc= -0.3 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.357 -6.749 17.113 1.00 0.00 N ATOM 2 CA GLY A 1 31.969 -6.329 17.055 1.00 0.00 C ATOM 3 C GLY A 1 31.788 -5.026 16.303 1.00 0.00 C ATOM 4 O GLY A 1 31.436 -4.004 16.893 1.00 0.00 O ATOM 0 H1 GLY A 1 33.427 -7.644 17.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.720 -6.884 16.148 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.920 -6.020 17.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.377 -7.108 16.574 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.584 -6.216 18.069 1.00 0.00 H new ATOM 8 N SER A 2 32.030 -5.060 14.996 1.00 0.00 N ATOM 9 CA SER A 2 31.897 -3.871 14.163 1.00 0.00 C ATOM 10 C SER A 2 30.729 -4.016 13.191 1.00 0.00 C ATOM 11 O SER A 2 30.157 -5.097 13.048 1.00 0.00 O ATOM 12 CB SER A 2 33.191 -3.618 13.388 1.00 0.00 C ATOM 13 OG SER A 2 33.524 -4.730 12.574 1.00 0.00 O ATOM 0 H SER A 2 32.319 -5.898 14.492 1.00 0.00 H new ATOM 0 HA SER A 2 31.701 -3.021 14.816 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.079 -2.729 12.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.004 -3.418 14.086 1.00 0.00 H new ATOM 0 HG SER A 2 34.354 -4.543 12.088 1.00 0.00 H new ATOM 19 N SER A 3 30.382 -2.920 12.525 1.00 0.00 N ATOM 20 CA SER A 3 29.280 -2.922 11.570 1.00 0.00 C ATOM 21 C SER A 3 29.804 -2.965 10.137 1.00 0.00 C ATOM 22 O SER A 3 30.942 -2.584 9.869 1.00 0.00 O ATOM 23 CB SER A 3 28.403 -1.685 11.767 1.00 0.00 C ATOM 24 OG SER A 3 27.476 -1.880 12.822 1.00 0.00 O ATOM 0 H SER A 3 30.848 -2.019 12.629 1.00 0.00 H new ATOM 0 HA SER A 3 28.680 -3.815 11.747 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.031 -0.821 11.985 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.867 -1.464 10.844 1.00 0.00 H new ATOM 0 HG SER A 3 26.928 -1.074 12.929 1.00 0.00 H new ATOM 30 N GLY A 4 28.963 -3.433 9.220 1.00 0.00 N ATOM 31 CA GLY A 4 29.358 -3.518 7.826 1.00 0.00 C ATOM 32 C GLY A 4 28.231 -3.999 6.933 1.00 0.00 C ATOM 33 O GLY A 4 27.100 -3.525 7.039 1.00 0.00 O ATOM 0 H GLY A 4 28.015 -3.755 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.694 -2.538 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.206 -4.196 7.732 1.00 0.00 H new ATOM 37 N SER A 5 28.541 -4.942 6.049 1.00 0.00 N ATOM 38 CA SER A 5 27.547 -5.483 5.129 1.00 0.00 C ATOM 39 C SER A 5 26.469 -6.253 5.886 1.00 0.00 C ATOM 40 O SER A 5 26.514 -7.480 5.973 1.00 0.00 O ATOM 41 CB SER A 5 28.217 -6.397 4.101 1.00 0.00 C ATOM 42 OG SER A 5 28.954 -5.645 3.153 1.00 0.00 O ATOM 0 H SER A 5 29.472 -5.347 5.950 1.00 0.00 H new ATOM 0 HA SER A 5 27.076 -4.649 4.610 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.880 -7.097 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.459 -6.991 3.589 1.00 0.00 H new ATOM 0 HG SER A 5 29.374 -6.252 2.509 1.00 0.00 H new ATOM 48 N SER A 6 25.502 -5.523 6.431 1.00 0.00 N ATOM 49 CA SER A 6 24.414 -6.136 7.184 1.00 0.00 C ATOM 50 C SER A 6 23.758 -7.254 6.379 1.00 0.00 C ATOM 51 O SER A 6 23.545 -8.355 6.883 1.00 0.00 O ATOM 52 CB SER A 6 23.370 -5.083 7.561 1.00 0.00 C ATOM 53 OG SER A 6 23.804 -4.306 8.664 1.00 0.00 O ATOM 0 H SER A 6 25.449 -4.506 6.365 1.00 0.00 H new ATOM 0 HA SER A 6 24.832 -6.565 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.180 -4.433 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.427 -5.572 7.805 1.00 0.00 H new ATOM 0 HG SER A 6 23.120 -3.640 8.884 1.00 0.00 H new ATOM 59 N GLY A 7 23.439 -6.960 5.122 1.00 0.00 N ATOM 60 CA GLY A 7 22.810 -7.949 4.266 1.00 0.00 C ATOM 61 C GLY A 7 21.904 -7.322 3.225 1.00 0.00 C ATOM 62 O GLY A 7 22.038 -6.148 2.880 1.00 0.00 O ATOM 0 H GLY A 7 23.605 -6.055 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.581 -8.536 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.231 -8.640 4.879 1.00 0.00 H new ATOM 66 N PRO A 8 20.956 -8.116 2.704 1.00 0.00 N ATOM 67 CA PRO A 8 20.007 -7.654 1.688 1.00 0.00 C ATOM 68 C PRO A 8 19.000 -6.655 2.247 1.00 0.00 C ATOM 69 O PRO A 8 18.485 -6.829 3.352 1.00 0.00 O ATOM 70 CB PRO A 8 19.299 -8.940 1.253 1.00 0.00 C ATOM 71 CG PRO A 8 19.421 -9.854 2.423 1.00 0.00 C ATOM 72 CD PRO A 8 20.739 -9.527 3.069 1.00 0.00 C ATOM 0 HA PRO A 8 20.506 -7.129 0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.254 -8.752 1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.766 -9.368 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.597 -9.706 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.389 -10.897 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.701 -9.661 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.539 -10.166 2.696 1.00 0.00 H new ATOM 80 N VAL A 9 18.723 -5.607 1.477 1.00 0.00 N ATOM 81 CA VAL A 9 17.776 -4.580 1.895 1.00 0.00 C ATOM 82 C VAL A 9 16.644 -5.180 2.722 1.00 0.00 C ATOM 83 O VAL A 9 15.841 -5.964 2.217 1.00 0.00 O ATOM 84 CB VAL A 9 17.176 -3.843 0.683 1.00 0.00 C ATOM 85 CG1 VAL A 9 16.292 -2.693 1.141 1.00 0.00 C ATOM 86 CG2 VAL A 9 18.281 -3.344 -0.236 1.00 0.00 C ATOM 0 H VAL A 9 19.141 -5.447 0.560 1.00 0.00 H new ATOM 0 HA VAL A 9 18.331 -3.868 2.506 1.00 0.00 H new ATOM 0 HB VAL A 9 16.557 -4.544 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.877 -2.184 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.480 -3.081 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.885 -1.989 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.840 -2.826 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.927 -2.658 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.869 -4.190 -0.591 1.00 0.00 H new ATOM 96 N ARG A 10 16.587 -4.805 3.996 1.00 0.00 N ATOM 97 CA ARG A 10 15.554 -5.307 4.894 1.00 0.00 C ATOM 98 C ARG A 10 14.419 -4.296 5.035 1.00 0.00 C ATOM 99 O ARG A 10 14.511 -3.171 4.544 1.00 0.00 O ATOM 100 CB ARG A 10 16.149 -5.617 6.268 1.00 0.00 C ATOM 101 CG ARG A 10 16.990 -6.883 6.297 1.00 0.00 C ATOM 102 CD ARG A 10 16.120 -8.127 6.382 1.00 0.00 C ATOM 103 NE ARG A 10 15.320 -8.152 7.603 1.00 0.00 N ATOM 104 CZ ARG A 10 14.742 -9.249 8.081 1.00 0.00 C ATOM 105 NH1 ARG A 10 14.876 -10.404 7.444 1.00 0.00 N ATOM 106 NH2 ARG A 10 14.028 -9.192 9.198 1.00 0.00 N ATOM 0 H ARG A 10 17.244 -4.156 4.429 1.00 0.00 H new ATOM 0 HA ARG A 10 15.150 -6.224 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.764 -4.775 6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.340 -5.712 6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.609 -6.931 5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.667 -6.852 7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.460 -8.168 5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.752 -9.015 6.344 1.00 0.00 H new ATOM 0 HE ARG A 10 15.198 -7.280 8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.424 -10.452 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.431 -11.245 7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.922 -8.305 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.585 -10.035 9.564 1.00 0.00 H new ATOM 120 N PHE A 11 13.350 -4.706 5.710 1.00 0.00 N ATOM 121 CA PHE A 11 12.197 -3.837 5.915 1.00 0.00 C ATOM 122 C PHE A 11 12.287 -3.121 7.260 1.00 0.00 C ATOM 123 O PHE A 11 11.846 -3.643 8.283 1.00 0.00 O ATOM 124 CB PHE A 11 10.901 -4.648 5.843 1.00 0.00 C ATOM 125 CG PHE A 11 10.326 -4.737 4.458 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.665 -3.656 3.898 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.446 -5.901 3.717 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.134 -3.735 2.624 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.918 -5.987 2.443 1.00 0.00 C ATOM 130 CZ PHE A 11 9.262 -4.902 1.895 1.00 0.00 C ATOM 0 H PHE A 11 13.258 -5.634 6.124 1.00 0.00 H new ATOM 0 HA PHE A 11 12.194 -3.088 5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.091 -5.655 6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.163 -4.198 6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.563 -2.741 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.959 -6.752 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.620 -2.886 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.018 -6.901 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.850 -4.966 0.899 1.00 0.00 H new ATOM 140 N GLN A 12 12.863 -1.923 7.248 1.00 0.00 N ATOM 141 CA GLN A 12 13.013 -1.136 8.466 1.00 0.00 C ATOM 142 C GLN A 12 11.659 -0.642 8.964 1.00 0.00 C ATOM 143 O GLN A 12 11.296 -0.861 10.119 1.00 0.00 O ATOM 144 CB GLN A 12 13.944 0.052 8.219 1.00 0.00 C ATOM 145 CG GLN A 12 14.176 0.909 9.453 1.00 0.00 C ATOM 146 CD GLN A 12 15.359 0.439 10.276 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.480 -0.746 10.590 1.00 0.00 O ATOM 148 NE2 GLN A 12 16.240 1.367 10.631 1.00 0.00 N ATOM 0 H GLN A 12 13.233 -1.477 6.409 1.00 0.00 H new ATOM 0 HA GLN A 12 13.450 -1.777 9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.904 -0.318 7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.524 0.674 7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.339 1.943 9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.279 0.897 10.073 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.100 2.337 10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.056 1.110 11.186 1.00 0.00 H new ATOM 157 N GLU A 13 10.918 0.026 8.086 1.00 0.00 N ATOM 158 CA GLU A 13 9.605 0.552 8.439 1.00 0.00 C ATOM 159 C GLU A 13 8.550 0.099 7.434 1.00 0.00 C ATOM 160 O GLU A 13 7.970 0.914 6.717 1.00 0.00 O ATOM 161 CB GLU A 13 9.643 2.081 8.500 1.00 0.00 C ATOM 162 CG GLU A 13 10.036 2.625 9.864 1.00 0.00 C ATOM 163 CD GLU A 13 8.941 2.451 10.899 1.00 0.00 C ATOM 164 OE1 GLU A 13 8.515 1.299 11.124 1.00 0.00 O ATOM 165 OE2 GLU A 13 8.512 3.468 11.483 1.00 0.00 O ATOM 0 H GLU A 13 11.204 0.216 7.126 1.00 0.00 H new ATOM 0 HA GLU A 13 9.338 0.163 9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.348 2.449 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.662 2.472 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.938 2.119 10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.279 3.684 9.773 1.00 0.00 H new ATOM 172 N ALA A 14 8.307 -1.207 7.388 1.00 0.00 N ATOM 173 CA ALA A 14 7.321 -1.768 6.473 1.00 0.00 C ATOM 174 C ALA A 14 5.950 -1.136 6.687 1.00 0.00 C ATOM 175 O ALA A 14 5.801 -0.207 7.482 1.00 0.00 O ATOM 176 CB ALA A 14 7.241 -3.278 6.646 1.00 0.00 C ATOM 0 H ALA A 14 8.779 -1.896 7.974 1.00 0.00 H new ATOM 0 HA ALA A 14 7.639 -1.545 5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.501 -3.684 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.215 -3.720 6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.950 -3.512 7.670 1.00 0.00 H new ATOM 182 N LEU A 15 4.951 -1.645 5.974 1.00 0.00 N ATOM 183 CA LEU A 15 3.591 -1.129 6.086 1.00 0.00 C ATOM 184 C LEU A 15 3.030 -1.370 7.484 1.00 0.00 C ATOM 185 O LEU A 15 3.620 -2.096 8.285 1.00 0.00 O ATOM 186 CB LEU A 15 2.688 -1.786 5.041 1.00 0.00 C ATOM 187 CG LEU A 15 3.156 -1.683 3.589 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.358 -2.626 2.702 1.00 0.00 C ATOM 189 CD2 LEU A 15 3.035 -0.250 3.090 1.00 0.00 C ATOM 0 H LEU A 15 5.057 -2.414 5.313 1.00 0.00 H new ATOM 0 HA LEU A 15 3.621 -0.054 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.582 -2.841 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.696 -1.339 5.115 1.00 0.00 H new ATOM 0 HG LEU A 15 4.205 -1.976 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.705 -2.538 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.495 -3.651 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.301 -2.365 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.372 -0.195 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.995 0.069 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.651 0.404 3.707 1.00 0.00 H new ATOM 201 N LYS A 16 1.886 -0.759 7.770 1.00 0.00 N ATOM 202 CA LYS A 16 1.242 -0.909 9.069 1.00 0.00 C ATOM 203 C LYS A 16 -0.276 -0.831 8.937 1.00 0.00 C ATOM 204 O LYS A 16 -0.801 -0.557 7.857 1.00 0.00 O ATOM 205 CB LYS A 16 1.736 0.171 10.034 1.00 0.00 C ATOM 206 CG LYS A 16 3.200 0.027 10.410 1.00 0.00 C ATOM 207 CD LYS A 16 3.409 -1.087 11.423 1.00 0.00 C ATOM 208 CE LYS A 16 3.268 -0.578 12.849 1.00 0.00 C ATOM 209 NZ LYS A 16 1.841 -0.456 13.256 1.00 0.00 N ATOM 0 H LYS A 16 1.385 -0.154 7.119 1.00 0.00 H new ATOM 0 HA LYS A 16 1.505 -1.890 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.581 1.150 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.132 0.140 10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.788 -0.179 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.565 0.968 10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.684 -1.882 11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.399 -1.522 11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.783 -1.256 13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.755 0.393 12.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.760 -0.594 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.488 0.489 13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.277 -1.178 12.764 1.00 0.00 H new ATOM 223 N ASP A 17 -0.975 -1.073 10.040 1.00 0.00 N ATOM 224 CA ASP A 17 -2.432 -1.028 10.047 1.00 0.00 C ATOM 225 C ASP A 17 -2.933 0.393 9.805 1.00 0.00 C ATOM 226 O ASP A 17 -2.417 1.351 10.381 1.00 0.00 O ATOM 227 CB ASP A 17 -2.973 -1.552 11.378 1.00 0.00 C ATOM 228 CG ASP A 17 -2.607 -0.656 12.545 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.455 -0.177 12.587 1.00 0.00 O ATOM 230 OD2 ASP A 17 -3.474 -0.433 13.416 1.00 0.00 O ATOM 0 H ASP A 17 -0.556 -1.302 10.941 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.794 -1.665 9.240 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.058 -1.639 11.317 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.582 -2.554 11.556 1.00 0.00 H new ATOM 235 N LEU A 18 -3.940 0.521 8.948 1.00 0.00 N ATOM 236 CA LEU A 18 -4.510 1.825 8.627 1.00 0.00 C ATOM 237 C LEU A 18 -6.030 1.802 8.758 1.00 0.00 C ATOM 238 O LEU A 18 -6.660 0.758 8.595 1.00 0.00 O ATOM 239 CB LEU A 18 -4.116 2.242 7.209 1.00 0.00 C ATOM 240 CG LEU A 18 -2.760 2.935 7.066 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.250 2.819 5.638 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.862 4.395 7.481 1.00 0.00 C ATOM 0 H LEU A 18 -4.379 -0.262 8.463 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.113 2.551 9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.116 1.354 6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.885 2.909 6.821 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.048 2.439 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.284 3.318 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.139 1.767 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.961 3.289 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.888 4.873 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.588 4.904 6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.183 4.456 8.521 1.00 0.00 H new ATOM 254 N GLU A 19 -6.611 2.961 9.052 1.00 0.00 N ATOM 255 CA GLU A 19 -8.057 3.072 9.204 1.00 0.00 C ATOM 256 C GLU A 19 -8.582 4.325 8.508 1.00 0.00 C ATOM 257 O GLU A 19 -8.070 5.425 8.717 1.00 0.00 O ATOM 258 CB GLU A 19 -8.436 3.102 10.686 1.00 0.00 C ATOM 259 CG GLU A 19 -9.928 3.258 10.930 1.00 0.00 C ATOM 260 CD GLU A 19 -10.410 4.678 10.703 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.643 5.619 10.993 1.00 0.00 O ATOM 262 OE2 GLU A 19 -11.555 4.847 10.233 1.00 0.00 O ATOM 0 H GLU A 19 -6.103 3.835 9.189 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.514 2.199 8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.093 2.181 11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.909 3.924 11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.473 2.583 10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.159 2.959 11.952 1.00 0.00 H new ATOM 269 N VAL A 20 -9.606 4.150 7.680 1.00 0.00 N ATOM 270 CA VAL A 20 -10.202 5.265 6.954 1.00 0.00 C ATOM 271 C VAL A 20 -11.678 5.010 6.669 1.00 0.00 C ATOM 272 O VAL A 20 -12.155 3.879 6.772 1.00 0.00 O ATOM 273 CB VAL A 20 -9.470 5.522 5.623 1.00 0.00 C ATOM 274 CG1 VAL A 20 -10.132 6.660 4.861 1.00 0.00 C ATOM 275 CG2 VAL A 20 -8.000 5.822 5.873 1.00 0.00 C ATOM 0 H VAL A 20 -10.041 3.246 7.495 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.105 6.145 7.590 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.535 4.621 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.601 6.827 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.170 6.401 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.100 7.568 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.498 6.001 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.911 6.708 6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.535 4.973 6.374 1.00 0.00 H new ATOM 285 N LEU A 21 -12.396 6.068 6.309 1.00 0.00 N ATOM 286 CA LEU A 21 -13.819 5.960 6.008 1.00 0.00 C ATOM 287 C LEU A 21 -14.044 5.714 4.520 1.00 0.00 C ATOM 288 O LEU A 21 -13.230 6.110 3.686 1.00 0.00 O ATOM 289 CB LEU A 21 -14.551 7.231 6.443 1.00 0.00 C ATOM 290 CG LEU A 21 -16.074 7.129 6.539 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.477 6.211 7.682 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.690 8.509 6.718 1.00 0.00 C ATOM 0 H LEU A 21 -12.016 7.010 6.218 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.218 5.111 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.165 7.533 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.304 8.027 5.741 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.450 6.703 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.564 6.151 7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.066 5.216 7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.090 6.607 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.774 8.418 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.307 8.962 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.430 9.137 5.866 1.00 0.00 H new ATOM 304 N GLU A 22 -15.155 5.060 4.194 1.00 0.00 N ATOM 305 CA GLU A 22 -15.486 4.764 2.805 1.00 0.00 C ATOM 306 C GLU A 22 -15.780 6.046 2.031 1.00 0.00 C ATOM 307 O GLU A 22 -16.200 7.049 2.606 1.00 0.00 O ATOM 308 CB GLU A 22 -16.692 3.824 2.735 1.00 0.00 C ATOM 309 CG GLU A 22 -18.021 4.521 2.972 1.00 0.00 C ATOM 310 CD GLU A 22 -19.204 3.696 2.503 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.240 2.485 2.806 1.00 0.00 O ATOM 312 OE2 GLU A 22 -20.093 4.261 1.832 1.00 0.00 O ATOM 0 H GLU A 22 -15.840 4.726 4.872 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.626 4.274 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.712 3.345 1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.569 3.033 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.130 4.735 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.022 5.479 2.453 1.00 0.00 H new ATOM 319 N GLY A 23 -15.556 6.003 0.721 1.00 0.00 N ATOM 320 CA GLY A 23 -15.801 7.166 -0.112 1.00 0.00 C ATOM 321 C GLY A 23 -14.647 8.149 -0.090 1.00 0.00 C ATOM 322 O GLY A 23 -14.840 9.347 -0.291 1.00 0.00 O ATOM 0 H GLY A 23 -15.209 5.184 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.980 6.843 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.708 7.667 0.227 1.00 0.00 H new ATOM 326 N GLY A 24 -13.444 7.641 0.158 1.00 0.00 N ATOM 327 CA GLY A 24 -12.272 8.497 0.203 1.00 0.00 C ATOM 328 C GLY A 24 -11.056 7.848 -0.427 1.00 0.00 C ATOM 329 O GLY A 24 -11.165 7.170 -1.448 1.00 0.00 O ATOM 0 H GLY A 24 -13.260 6.652 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.489 9.432 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.049 8.749 1.240 1.00 0.00 H new ATOM 333 N ALA A 25 -9.893 8.058 0.181 1.00 0.00 N ATOM 334 CA ALA A 25 -8.652 7.488 -0.327 1.00 0.00 C ATOM 335 C ALA A 25 -7.754 7.023 0.815 1.00 0.00 C ATOM 336 O ALA A 25 -7.726 7.633 1.883 1.00 0.00 O ATOM 337 CB ALA A 25 -7.922 8.503 -1.195 1.00 0.00 C ATOM 0 H ALA A 25 -9.785 8.619 1.026 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.902 6.619 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.997 8.064 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.555 8.784 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.691 9.389 -0.603 1.00 0.00 H new ATOM 343 N ALA A 26 -7.022 5.938 0.581 1.00 0.00 N ATOM 344 CA ALA A 26 -6.123 5.392 1.590 1.00 0.00 C ATOM 345 C ALA A 26 -4.669 5.497 1.143 1.00 0.00 C ATOM 346 O ALA A 26 -4.275 4.914 0.132 1.00 0.00 O ATOM 347 CB ALA A 26 -6.482 3.944 1.889 1.00 0.00 C ATOM 0 H ALA A 26 -7.034 5.421 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.239 5.979 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.802 3.549 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.506 3.892 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.395 3.352 0.978 1.00 0.00 H new ATOM 353 N THR A 27 -3.874 6.244 1.903 1.00 0.00 N ATOM 354 CA THR A 27 -2.463 6.427 1.584 1.00 0.00 C ATOM 355 C THR A 27 -1.575 5.664 2.560 1.00 0.00 C ATOM 356 O THR A 27 -1.660 5.857 3.774 1.00 0.00 O ATOM 357 CB THR A 27 -2.071 7.916 1.607 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.936 8.665 0.747 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.626 8.102 1.168 1.00 0.00 C ATOM 0 H THR A 27 -4.183 6.732 2.744 1.00 0.00 H new ATOM 0 HA THR A 27 -2.313 6.035 0.578 1.00 0.00 H new ATOM 0 HB THR A 27 -2.174 8.279 2.629 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.680 9.611 0.769 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.372 9.162 1.192 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.033 7.555 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.502 7.722 0.154 1.00 0.00 H new ATOM 367 N LEU A 28 -0.724 4.796 2.024 1.00 0.00 N ATOM 368 CA LEU A 28 0.182 4.004 2.849 1.00 0.00 C ATOM 369 C LEU A 28 1.609 4.534 2.754 1.00 0.00 C ATOM 370 O LEU A 28 1.966 5.216 1.794 1.00 0.00 O ATOM 371 CB LEU A 28 0.141 2.536 2.419 1.00 0.00 C ATOM 372 CG LEU A 28 -1.215 1.840 2.536 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.016 2.013 1.255 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.031 0.364 2.857 1.00 0.00 C ATOM 0 H LEU A 28 -0.642 4.623 1.022 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.146 4.083 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.471 2.473 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.864 1.982 3.018 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.770 2.302 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.978 1.511 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.179 3.074 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.466 1.578 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.007 -0.115 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.456 -0.112 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.498 0.261 3.802 1.00 0.00 H new ATOM 386 N ARG A 29 2.421 4.213 3.757 1.00 0.00 N ATOM 387 CA ARG A 29 3.809 4.656 3.786 1.00 0.00 C ATOM 388 C ARG A 29 4.714 3.572 4.365 1.00 0.00 C ATOM 389 O ARG A 29 4.286 2.772 5.199 1.00 0.00 O ATOM 390 CB ARG A 29 3.940 5.938 4.611 1.00 0.00 C ATOM 391 CG ARG A 29 3.775 7.208 3.792 1.00 0.00 C ATOM 392 CD ARG A 29 4.905 7.375 2.788 1.00 0.00 C ATOM 393 NE ARG A 29 4.876 8.686 2.144 1.00 0.00 N ATOM 394 CZ ARG A 29 5.211 9.814 2.759 1.00 0.00 C ATOM 395 NH1 ARG A 29 5.599 9.792 4.027 1.00 0.00 N ATOM 396 NH2 ARG A 29 5.159 10.968 2.106 1.00 0.00 N ATOM 0 H ARG A 29 2.141 3.648 4.559 1.00 0.00 H new ATOM 0 HA ARG A 29 4.121 4.857 2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.193 5.928 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.917 5.951 5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.821 7.181 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.748 8.071 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.861 7.240 3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.833 6.596 2.029 1.00 0.00 H new ATOM 0 HE ARG A 29 4.582 8.738 1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.641 8.907 4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.856 10.660 4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.861 10.989 1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.417 11.834 2.579 1.00 0.00 H new ATOM 410 N CYS A 30 5.964 3.551 3.918 1.00 0.00 N ATOM 411 CA CYS A 30 6.929 2.564 4.390 1.00 0.00 C ATOM 412 C CYS A 30 8.347 2.954 3.988 1.00 0.00 C ATOM 413 O CYS A 30 8.623 3.212 2.816 1.00 0.00 O ATOM 414 CB CYS A 30 6.589 1.181 3.832 1.00 0.00 C ATOM 415 SG CYS A 30 6.652 1.077 2.028 1.00 0.00 S ATOM 0 H CYS A 30 6.334 4.206 3.229 1.00 0.00 H new ATOM 0 HA CYS A 30 6.876 2.532 5.478 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.282 0.451 4.252 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.590 0.902 4.167 1.00 0.00 H new ATOM 0 HG CYS A 30 7.488 0.146 1.676 1.00 0.00 H new ATOM 421 N VAL A 31 9.244 2.997 4.968 1.00 0.00 N ATOM 422 CA VAL A 31 10.634 3.357 4.716 1.00 0.00 C ATOM 423 C VAL A 31 11.549 2.145 4.853 1.00 0.00 C ATOM 424 O VAL A 31 11.457 1.390 5.823 1.00 0.00 O ATOM 425 CB VAL A 31 11.113 4.458 5.681 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.517 4.915 5.316 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.143 5.630 5.673 1.00 0.00 C ATOM 0 H VAL A 31 9.033 2.787 5.944 1.00 0.00 H new ATOM 0 HA VAL A 31 10.683 3.733 3.694 1.00 0.00 H new ATOM 0 HB VAL A 31 11.142 4.046 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.838 5.693 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.202 4.069 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.518 5.311 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.496 6.399 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.080 6.044 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.157 5.288 5.987 1.00 0.00 H new ATOM 437 N LEU A 32 12.431 1.963 3.877 1.00 0.00 N ATOM 438 CA LEU A 32 13.364 0.842 3.888 1.00 0.00 C ATOM 439 C LEU A 32 14.758 1.297 4.309 1.00 0.00 C ATOM 440 O LEU A 32 15.062 2.490 4.297 1.00 0.00 O ATOM 441 CB LEU A 32 13.425 0.189 2.506 1.00 0.00 C ATOM 442 CG LEU A 32 12.085 -0.241 1.907 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.435 0.918 1.166 1.00 0.00 C ATOM 444 CD2 LEU A 32 12.273 -1.432 0.979 1.00 0.00 C ATOM 0 H LEU A 32 12.520 2.577 3.068 1.00 0.00 H new ATOM 0 HA LEU A 32 13.006 0.111 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.901 0.887 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.070 -0.687 2.568 1.00 0.00 H new ATOM 0 HG LEU A 32 11.425 -0.541 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.483 0.593 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.264 1.743 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.092 1.250 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.309 -1.724 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.951 -1.159 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.694 -2.267 1.539 1.00 0.00 H new ATOM 456 N SER A 33 15.602 0.339 4.678 1.00 0.00 N ATOM 457 CA SER A 33 16.963 0.641 5.104 1.00 0.00 C ATOM 458 C SER A 33 17.725 1.379 4.007 1.00 0.00 C ATOM 459 O SER A 33 18.699 2.080 4.277 1.00 0.00 O ATOM 460 CB SER A 33 17.701 -0.646 5.477 1.00 0.00 C ATOM 461 OG SER A 33 17.948 -1.442 4.331 1.00 0.00 O ATOM 0 H SER A 33 15.367 -0.653 4.690 1.00 0.00 H new ATOM 0 HA SER A 33 16.908 1.286 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.645 -0.400 5.963 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.110 -1.212 6.197 1.00 0.00 H new ATOM 0 HG SER A 33 18.422 -2.258 4.595 1.00 0.00 H new ATOM 467 N SER A 34 17.272 1.214 2.768 1.00 0.00 N ATOM 468 CA SER A 34 17.912 1.860 1.628 1.00 0.00 C ATOM 469 C SER A 34 16.990 1.854 0.412 1.00 0.00 C ATOM 470 O SER A 34 16.184 0.940 0.235 1.00 0.00 O ATOM 471 CB SER A 34 19.228 1.156 1.289 1.00 0.00 C ATOM 472 OG SER A 34 20.276 1.601 2.132 1.00 0.00 O ATOM 0 H SER A 34 16.465 0.639 2.528 1.00 0.00 H new ATOM 0 HA SER A 34 18.121 2.895 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.105 0.078 1.394 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.489 1.347 0.248 1.00 0.00 H new ATOM 0 HG SER A 34 19.906 1.872 2.998 1.00 0.00 H new ATOM 478 N VAL A 35 17.116 2.880 -0.423 1.00 0.00 N ATOM 479 CA VAL A 35 16.296 2.994 -1.623 1.00 0.00 C ATOM 480 C VAL A 35 16.577 1.850 -2.591 1.00 0.00 C ATOM 481 O VAL A 35 17.732 1.520 -2.858 1.00 0.00 O ATOM 482 CB VAL A 35 16.538 4.334 -2.343 1.00 0.00 C ATOM 483 CG1 VAL A 35 18.028 4.629 -2.435 1.00 0.00 C ATOM 484 CG2 VAL A 35 15.904 4.317 -3.726 1.00 0.00 C ATOM 0 H VAL A 35 17.778 3.644 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 35 15.256 2.946 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 35 16.069 5.129 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.180 5.579 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.450 4.685 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.523 3.834 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.084 5.271 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.342 3.513 -4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.830 4.154 -3.632 1.00 0.00 H new ATOM 494 N ALA A 36 15.513 1.250 -3.115 1.00 0.00 N ATOM 495 CA ALA A 36 15.645 0.145 -4.056 1.00 0.00 C ATOM 496 C ALA A 36 14.525 0.168 -5.090 1.00 0.00 C ATOM 497 O ALA A 36 13.424 0.644 -4.816 1.00 0.00 O ATOM 498 CB ALA A 36 15.653 -1.183 -3.313 1.00 0.00 C ATOM 0 H ALA A 36 14.550 1.511 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 36 16.592 0.260 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.752 -2.000 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.492 -1.206 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.720 -1.296 -2.760 1.00 0.00 H new ATOM 504 N ALA A 37 14.815 -0.348 -6.280 1.00 0.00 N ATOM 505 CA ALA A 37 13.831 -0.388 -7.355 1.00 0.00 C ATOM 506 C ALA A 37 14.365 -1.156 -8.560 1.00 0.00 C ATOM 507 O ALA A 37 15.557 -1.449 -8.661 1.00 0.00 O ATOM 508 CB ALA A 37 13.435 1.024 -7.760 1.00 0.00 C ATOM 0 H ALA A 37 15.723 -0.744 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 37 12.948 -0.910 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.700 0.979 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.004 1.541 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.317 1.564 -8.105 1.00 0.00 H new ATOM 514 N PRO A 38 13.465 -1.490 -9.496 1.00 0.00 N ATOM 515 CA PRO A 38 12.044 -1.147 -9.386 1.00 0.00 C ATOM 516 C PRO A 38 11.340 -1.936 -8.287 1.00 0.00 C ATOM 517 O PRO A 38 11.810 -2.995 -7.871 1.00 0.00 O ATOM 518 CB PRO A 38 11.481 -1.524 -10.759 1.00 0.00 C ATOM 519 CG PRO A 38 12.403 -2.576 -11.271 1.00 0.00 C ATOM 520 CD PRO A 38 13.764 -2.231 -10.733 1.00 0.00 C ATOM 0 HA PRO A 38 11.897 -0.100 -9.122 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.460 -1.897 -10.679 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.454 -0.662 -11.426 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.090 -3.565 -10.937 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.407 -2.594 -12.361 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.355 -3.125 -10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.332 -1.624 -11.438 1.00 0.00 H new ATOM 528 N VAL A 39 10.211 -1.413 -7.819 1.00 0.00 N ATOM 529 CA VAL A 39 9.442 -2.069 -6.769 1.00 0.00 C ATOM 530 C VAL A 39 8.133 -2.629 -7.315 1.00 0.00 C ATOM 531 O VAL A 39 7.508 -2.034 -8.194 1.00 0.00 O ATOM 532 CB VAL A 39 9.131 -1.101 -5.613 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.829 -1.872 -4.337 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.287 -0.135 -5.401 1.00 0.00 C ATOM 0 H VAL A 39 9.809 -0.536 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 39 10.055 -2.888 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 39 8.247 -0.521 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.612 -1.171 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.966 -2.519 -4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.692 -2.480 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.050 0.542 -4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.190 -0.696 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.451 0.442 -6.311 1.00 0.00 H new ATOM 544 N LYS A 40 7.721 -3.777 -6.788 1.00 0.00 N ATOM 545 CA LYS A 40 6.485 -4.418 -7.220 1.00 0.00 C ATOM 546 C LYS A 40 5.390 -4.251 -6.172 1.00 0.00 C ATOM 547 O LYS A 40 5.634 -4.413 -4.976 1.00 0.00 O ATOM 548 CB LYS A 40 6.725 -5.905 -7.490 1.00 0.00 C ATOM 549 CG LYS A 40 5.753 -6.506 -8.491 1.00 0.00 C ATOM 550 CD LYS A 40 4.433 -6.875 -7.835 1.00 0.00 C ATOM 551 CE LYS A 40 4.452 -8.301 -7.308 1.00 0.00 C ATOM 552 NZ LYS A 40 4.463 -9.301 -8.412 1.00 0.00 N ATOM 0 H LYS A 40 8.226 -4.283 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 40 6.158 -3.936 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.742 -6.039 -7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.651 -6.453 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.573 -5.795 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.197 -7.394 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.228 -6.186 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.623 -6.763 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.331 -8.444 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.579 -8.467 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.124 -10.217 -8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.841 -8.977 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.432 -9.408 -8.774 1.00 0.00 H new ATOM 566 N TRP A 41 4.185 -3.928 -6.627 1.00 0.00 N ATOM 567 CA TRP A 41 3.053 -3.741 -5.727 1.00 0.00 C ATOM 568 C TRP A 41 1.930 -4.720 -6.054 1.00 0.00 C ATOM 569 O TRP A 41 1.280 -4.608 -7.094 1.00 0.00 O ATOM 570 CB TRP A 41 2.536 -2.304 -5.817 1.00 0.00 C ATOM 571 CG TRP A 41 3.239 -1.361 -4.889 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.338 -0.600 -5.170 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.892 -1.079 -3.529 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.695 0.137 -4.067 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.823 -0.138 -3.047 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.884 -1.528 -2.671 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.775 0.358 -1.747 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.838 -1.035 -1.382 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.778 -0.099 -0.930 1.00 0.00 C ATOM 0 H TRP A 41 3.967 -3.790 -7.614 1.00 0.00 H new ATOM 0 HA TRP A 41 3.393 -3.934 -4.710 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.650 -1.948 -6.841 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.469 -2.295 -5.594 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.851 -0.581 -6.120 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.482 0.784 -4.016 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.154 -2.248 -3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.499 1.078 -1.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.064 -1.377 -0.711 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.714 0.269 0.083 1.00 0.00 H new ATOM 590 N CYS A 42 1.708 -5.677 -5.161 1.00 0.00 N ATOM 591 CA CYS A 42 0.663 -6.677 -5.356 1.00 0.00 C ATOM 592 C CYS A 42 -0.198 -6.813 -4.104 1.00 0.00 C ATOM 593 O CYS A 42 0.314 -6.829 -2.985 1.00 0.00 O ATOM 594 CB CYS A 42 1.282 -8.029 -5.714 1.00 0.00 C ATOM 595 SG CYS A 42 0.200 -9.442 -5.399 1.00 0.00 S ATOM 0 H CYS A 42 2.237 -5.782 -4.295 1.00 0.00 H new ATOM 0 HA CYS A 42 0.028 -6.348 -6.178 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.556 -8.023 -6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.203 -8.157 -5.146 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.954 -9.239 -5.961 1.00 0.00 H new ATOM 601 N TYR A 43 -1.508 -6.910 -4.302 1.00 0.00 N ATOM 602 CA TYR A 43 -2.441 -7.042 -3.190 1.00 0.00 C ATOM 603 C TYR A 43 -3.260 -8.323 -3.313 1.00 0.00 C ATOM 604 O TYR A 43 -4.273 -8.361 -4.009 1.00 0.00 O ATOM 605 CB TYR A 43 -3.374 -5.831 -3.134 1.00 0.00 C ATOM 606 CG TYR A 43 -4.723 -6.133 -2.522 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.835 -6.519 -1.192 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.887 -6.033 -3.274 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.065 -6.797 -0.630 1.00 0.00 C ATOM 610 CE2 TYR A 43 -7.122 -6.308 -2.720 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.206 -6.690 -1.397 1.00 0.00 C ATOM 612 OH TYR A 43 -8.434 -6.965 -0.840 1.00 0.00 O ATOM 0 H TYR A 43 -1.948 -6.900 -5.222 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.862 -7.090 -2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.893 -5.039 -2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.520 -5.449 -4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.944 -6.603 -0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.825 -5.735 -4.310 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.133 -7.097 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -8.017 -6.224 -3.319 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.134 -6.841 -1.514 1.00 0.00 H new ATOM 622 N GLY A 44 -2.811 -9.372 -2.631 1.00 0.00 N ATOM 623 CA GLY A 44 -3.513 -10.642 -2.676 1.00 0.00 C ATOM 624 C GLY A 44 -3.266 -11.395 -3.968 1.00 0.00 C ATOM 625 O GLY A 44 -2.162 -11.879 -4.211 1.00 0.00 O ATOM 0 H GLY A 44 -1.974 -9.365 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.198 -11.258 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.583 -10.467 -2.560 1.00 0.00 H new ATOM 629 N ASN A 45 -4.298 -11.495 -4.799 1.00 0.00 N ATOM 630 CA ASN A 45 -4.189 -12.197 -6.073 1.00 0.00 C ATOM 631 C ASN A 45 -3.753 -11.245 -7.183 1.00 0.00 C ATOM 632 O ASN A 45 -2.653 -11.365 -7.720 1.00 0.00 O ATOM 633 CB ASN A 45 -5.525 -12.847 -6.438 1.00 0.00 C ATOM 634 CG ASN A 45 -6.169 -13.546 -5.257 1.00 0.00 C ATOM 635 OD1 ASN A 45 -5.940 -14.733 -5.024 1.00 0.00 O ATOM 636 ND2 ASN A 45 -6.981 -12.812 -4.505 1.00 0.00 N ATOM 0 H ASN A 45 -5.219 -11.099 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.432 -12.974 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.204 -12.085 -6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.368 -13.567 -7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.444 -13.229 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.142 -11.831 -4.735 1.00 0.00 H new ATOM 643 N ASN A 46 -4.625 -10.301 -7.521 1.00 0.00 N ATOM 644 CA ASN A 46 -4.330 -9.328 -8.567 1.00 0.00 C ATOM 645 C ASN A 46 -3.082 -8.521 -8.223 1.00 0.00 C ATOM 646 O ASN A 46 -2.677 -8.447 -7.063 1.00 0.00 O ATOM 647 CB ASN A 46 -5.520 -8.387 -8.767 1.00 0.00 C ATOM 648 CG ASN A 46 -6.646 -9.037 -9.549 1.00 0.00 C ATOM 649 OD1 ASN A 46 -6.530 -9.260 -10.754 1.00 0.00 O ATOM 650 ND2 ASN A 46 -7.742 -9.343 -8.865 1.00 0.00 N ATOM 0 H ASN A 46 -5.541 -10.189 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.145 -9.872 -9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.894 -8.067 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.187 -7.491 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.532 -9.782 -9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.794 -9.140 -7.867 1.00 0.00 H new ATOM 657 N VAL A 47 -2.477 -7.916 -9.240 1.00 0.00 N ATOM 658 CA VAL A 47 -1.276 -7.112 -9.047 1.00 0.00 C ATOM 659 C VAL A 47 -1.559 -5.634 -9.287 1.00 0.00 C ATOM 660 O VAL A 47 -2.050 -5.249 -10.349 1.00 0.00 O ATOM 661 CB VAL A 47 -0.140 -7.565 -9.984 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.065 -6.648 -9.844 1.00 0.00 C ATOM 663 CG2 VAL A 47 0.242 -9.009 -9.697 1.00 0.00 C ATOM 0 H VAL A 47 -2.799 -7.967 -10.206 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.963 -7.255 -8.013 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.494 -7.504 -11.013 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.857 -6.983 -10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.779 -5.629 -10.103 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.424 -6.674 -8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.046 -9.313 -10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.578 -9.098 -8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.624 -9.652 -9.853 1.00 0.00 H new ATOM 673 N LEU A 48 -1.246 -4.808 -8.294 1.00 0.00 N ATOM 674 CA LEU A 48 -1.467 -3.370 -8.398 1.00 0.00 C ATOM 675 C LEU A 48 -0.396 -2.716 -9.265 1.00 0.00 C ATOM 676 O LEU A 48 0.798 -2.950 -9.076 1.00 0.00 O ATOM 677 CB LEU A 48 -1.471 -2.734 -7.006 1.00 0.00 C ATOM 678 CG LEU A 48 -2.232 -3.497 -5.922 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.778 -3.055 -4.539 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.732 -3.297 -6.082 1.00 0.00 C ATOM 0 H LEU A 48 -0.839 -5.109 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.437 -3.209 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.438 -2.614 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.898 -1.734 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.014 -4.559 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.331 -3.609 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.712 -3.251 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.966 -1.988 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.258 -3.847 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.968 -2.236 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.046 -3.664 -7.059 1.00 0.00 H new ATOM 692 N ARG A 49 -0.831 -1.893 -10.213 1.00 0.00 N ATOM 693 CA ARG A 49 0.091 -1.204 -11.109 1.00 0.00 C ATOM 694 C ARG A 49 -0.245 0.282 -11.196 1.00 0.00 C ATOM 695 O ARG A 49 -1.393 0.695 -11.034 1.00 0.00 O ATOM 696 CB ARG A 49 0.045 -1.831 -12.504 1.00 0.00 C ATOM 697 CG ARG A 49 0.305 -3.328 -12.507 1.00 0.00 C ATOM 698 CD ARG A 49 0.303 -3.890 -13.920 1.00 0.00 C ATOM 699 NE ARG A 49 1.267 -3.211 -14.782 1.00 0.00 N ATOM 700 CZ ARG A 49 1.173 -3.177 -16.106 1.00 0.00 C ATOM 701 NH1 ARG A 49 0.163 -3.780 -16.718 1.00 0.00 N ATOM 702 NH2 ARG A 49 2.090 -2.538 -16.821 1.00 0.00 N ATOM 0 H ARG A 49 -1.816 -1.687 -10.381 1.00 0.00 H new ATOM 0 HA ARG A 49 1.098 -1.309 -10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.932 -1.640 -12.947 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.784 -1.341 -13.138 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.265 -3.533 -12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.457 -3.832 -11.912 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.534 -4.955 -13.887 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.695 -3.794 -14.347 1.00 0.00 H new ATOM 0 HE ARG A 49 2.056 -2.737 -14.343 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.544 -4.272 -16.172 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.093 -3.752 -17.735 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.868 -2.072 -16.354 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.017 -2.512 -17.838 1.00 0.00 H new ATOM 716 N PRO A 50 0.781 1.106 -11.457 1.00 0.00 N ATOM 717 CA PRO A 50 0.620 2.559 -11.572 1.00 0.00 C ATOM 718 C PRO A 50 -0.150 2.960 -12.825 1.00 0.00 C ATOM 719 O PRO A 50 0.014 2.357 -13.885 1.00 0.00 O ATOM 720 CB PRO A 50 2.061 3.071 -11.642 1.00 0.00 C ATOM 721 CG PRO A 50 2.844 1.925 -12.184 1.00 0.00 C ATOM 722 CD PRO A 50 2.177 0.683 -11.662 1.00 0.00 C ATOM 0 HA PRO A 50 0.046 2.972 -10.743 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.140 3.945 -12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.424 3.368 -10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.849 1.937 -13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.884 1.975 -11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.247 -0.140 -12.373 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.634 0.342 -10.733 1.00 0.00 H new ATOM 730 N GLY A 51 -0.989 3.983 -12.697 1.00 0.00 N ATOM 731 CA GLY A 51 -1.771 4.447 -13.828 1.00 0.00 C ATOM 732 C GLY A 51 -2.605 5.668 -13.495 1.00 0.00 C ATOM 733 O GLY A 51 -2.067 6.751 -13.265 1.00 0.00 O ATOM 0 H GLY A 51 -1.141 4.499 -11.830 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.102 4.683 -14.656 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.426 3.644 -14.166 1.00 0.00 H new ATOM 737 N ASP A 52 -3.922 5.495 -13.470 1.00 0.00 N ATOM 738 CA ASP A 52 -4.832 6.592 -13.163 1.00 0.00 C ATOM 739 C ASP A 52 -5.500 6.381 -11.808 1.00 0.00 C ATOM 740 O ASP A 52 -5.704 7.329 -11.050 1.00 0.00 O ATOM 741 CB ASP A 52 -5.894 6.723 -14.256 1.00 0.00 C ATOM 742 CG ASP A 52 -5.313 7.189 -15.576 1.00 0.00 C ATOM 743 OD1 ASP A 52 -4.759 6.345 -16.312 1.00 0.00 O ATOM 744 OD2 ASP A 52 -5.412 8.397 -15.874 1.00 0.00 O ATOM 0 H ASP A 52 -4.383 4.605 -13.659 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.251 7.513 -13.121 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.385 5.760 -14.398 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.660 7.427 -13.931 1.00 0.00 H new ATOM 749 N LYS A 53 -5.841 5.132 -11.511 1.00 0.00 N ATOM 750 CA LYS A 53 -6.487 4.794 -10.248 1.00 0.00 C ATOM 751 C LYS A 53 -5.480 4.805 -9.102 1.00 0.00 C ATOM 752 O LYS A 53 -5.683 5.478 -8.092 1.00 0.00 O ATOM 753 CB LYS A 53 -7.153 3.420 -10.344 1.00 0.00 C ATOM 754 CG LYS A 53 -8.559 3.464 -10.917 1.00 0.00 C ATOM 755 CD LYS A 53 -9.570 3.924 -9.880 1.00 0.00 C ATOM 756 CE LYS A 53 -9.801 2.862 -8.817 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.144 2.993 -8.185 1.00 0.00 N ATOM 0 H LYS A 53 -5.681 4.336 -12.128 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.249 5.546 -10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.537 2.770 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.188 2.973 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.583 4.138 -11.773 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.835 2.475 -11.282 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.217 4.841 -9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.514 4.160 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.705 1.873 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.030 2.941 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.156 2.474 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.348 3.997 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.867 2.599 -8.821 1.00 0.00 H new ATOM 771 N TYR A 54 -4.396 4.056 -9.267 1.00 0.00 N ATOM 772 CA TYR A 54 -3.358 3.979 -8.246 1.00 0.00 C ATOM 773 C TYR A 54 -2.235 4.970 -8.535 1.00 0.00 C ATOM 774 O TYR A 54 -2.050 5.402 -9.672 1.00 0.00 O ATOM 775 CB TYR A 54 -2.793 2.559 -8.170 1.00 0.00 C ATOM 776 CG TYR A 54 -3.855 1.483 -8.181 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.409 1.038 -9.374 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.303 0.911 -6.997 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.381 0.056 -9.388 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.273 -0.073 -7.001 1.00 0.00 C ATOM 781 CZ TYR A 54 -5.809 -0.497 -8.200 1.00 0.00 C ATOM 782 OH TYR A 54 -6.775 -1.476 -8.209 1.00 0.00 O ATOM 0 H TYR A 54 -4.213 3.493 -10.098 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.807 4.236 -7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.118 2.400 -9.011 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.199 2.462 -7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.074 1.467 -10.307 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.886 1.241 -6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.803 -0.277 -10.325 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.610 -0.508 -6.071 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.962 -1.759 -7.290 1.00 0.00 H new ATOM 792 N SER A 55 -1.487 5.327 -7.495 1.00 0.00 N ATOM 793 CA SER A 55 -0.384 6.270 -7.634 1.00 0.00 C ATOM 794 C SER A 55 0.823 5.818 -6.817 1.00 0.00 C ATOM 795 O SER A 55 0.789 5.817 -5.586 1.00 0.00 O ATOM 796 CB SER A 55 -0.821 7.667 -7.190 1.00 0.00 C ATOM 797 OG SER A 55 0.007 8.665 -7.761 1.00 0.00 O ATOM 0 H SER A 55 -1.625 4.977 -6.547 1.00 0.00 H new ATOM 0 HA SER A 55 -0.097 6.304 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.857 7.838 -7.483 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.782 7.736 -6.103 1.00 0.00 H new ATOM 0 HG SER A 55 -0.294 9.549 -7.464 1.00 0.00 H new ATOM 803 N LEU A 56 1.889 5.434 -7.511 1.00 0.00 N ATOM 804 CA LEU A 56 3.108 4.980 -6.852 1.00 0.00 C ATOM 805 C LEU A 56 4.211 6.027 -6.966 1.00 0.00 C ATOM 806 O LEU A 56 4.689 6.323 -8.061 1.00 0.00 O ATOM 807 CB LEU A 56 3.579 3.658 -7.461 1.00 0.00 C ATOM 808 CG LEU A 56 2.521 2.561 -7.583 1.00 0.00 C ATOM 809 CD1 LEU A 56 3.170 1.231 -7.934 1.00 0.00 C ATOM 810 CD2 LEU A 56 1.724 2.443 -6.291 1.00 0.00 C ATOM 0 H LEU A 56 1.933 5.428 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 56 2.885 4.827 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.980 3.861 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.402 3.276 -6.857 1.00 0.00 H new ATOM 0 HG LEU A 56 1.836 2.831 -8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.402 0.462 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.696 1.322 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.878 0.954 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.976 1.658 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.397 2.196 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.228 3.391 -6.081 1.00 0.00 H new ATOM 822 N ARG A 57 4.613 6.582 -5.827 1.00 0.00 N ATOM 823 CA ARG A 57 5.661 7.595 -5.799 1.00 0.00 C ATOM 824 C ARG A 57 6.819 7.155 -4.907 1.00 0.00 C ATOM 825 O ARG A 57 6.673 7.054 -3.690 1.00 0.00 O ATOM 826 CB ARG A 57 5.098 8.928 -5.301 1.00 0.00 C ATOM 827 CG ARG A 57 6.142 10.027 -5.192 1.00 0.00 C ATOM 828 CD ARG A 57 6.486 10.607 -6.555 1.00 0.00 C ATOM 829 NE ARG A 57 7.090 11.932 -6.449 1.00 0.00 N ATOM 830 CZ ARG A 57 7.126 12.805 -7.450 1.00 0.00 C ATOM 831 NH1 ARG A 57 6.595 12.495 -8.625 1.00 0.00 N ATOM 832 NH2 ARG A 57 7.694 13.992 -7.276 1.00 0.00 N ATOM 0 H ARG A 57 4.229 6.347 -4.912 1.00 0.00 H new ATOM 0 HA ARG A 57 6.035 7.723 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.308 9.255 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.639 8.777 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.771 10.819 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.044 9.629 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.172 9.936 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.582 10.668 -7.162 1.00 0.00 H new ATOM 0 HE ARG A 57 7.507 12.202 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.157 11.584 -8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.624 13.168 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.103 14.234 -6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.721 14.662 -8.045 1.00 0.00 H new ATOM 846 N GLN A 58 7.967 6.894 -5.524 1.00 0.00 N ATOM 847 CA GLN A 58 9.149 6.464 -4.786 1.00 0.00 C ATOM 848 C GLN A 58 10.005 7.660 -4.384 1.00 0.00 C ATOM 849 O GLN A 58 10.378 8.478 -5.224 1.00 0.00 O ATOM 850 CB GLN A 58 9.975 5.490 -5.628 1.00 0.00 C ATOM 851 CG GLN A 58 11.100 4.820 -4.855 1.00 0.00 C ATOM 852 CD GLN A 58 12.018 4.008 -5.747 1.00 0.00 C ATOM 853 OE1 GLN A 58 12.831 3.153 -5.138 1.00 0.00 O flip ATOM 854 NE2 GLN A 58 11.998 4.149 -6.970 1.00 0.00 N flip ATOM 0 H GLN A 58 8.104 6.973 -6.532 1.00 0.00 H new ATOM 0 HA GLN A 58 8.816 5.958 -3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.315 4.722 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.398 6.026 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.683 5.581 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.674 4.170 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.357 4.818 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.623 3.597 -7.557 1.00 0.00 H new ATOM 863 N GLU A 59 10.313 7.755 -3.094 1.00 0.00 N ATOM 864 CA GLU A 59 11.124 8.853 -2.582 1.00 0.00 C ATOM 865 C GLU A 59 12.313 8.324 -1.784 1.00 0.00 C ATOM 866 O GLU A 59 12.267 8.248 -0.557 1.00 0.00 O ATOM 867 CB GLU A 59 10.277 9.776 -1.703 1.00 0.00 C ATOM 868 CG GLU A 59 9.542 10.853 -2.484 1.00 0.00 C ATOM 869 CD GLU A 59 10.484 11.846 -3.137 1.00 0.00 C ATOM 870 OE1 GLU A 59 11.207 12.549 -2.400 1.00 0.00 O ATOM 871 OE2 GLU A 59 10.498 11.920 -4.383 1.00 0.00 O ATOM 0 H GLU A 59 10.013 7.085 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 59 11.502 9.420 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.550 9.176 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.921 10.251 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.926 10.384 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.866 11.385 -1.814 1.00 0.00 H new ATOM 878 N GLY A 60 13.378 7.959 -2.492 1.00 0.00 N ATOM 879 CA GLY A 60 14.564 7.442 -1.835 1.00 0.00 C ATOM 880 C GLY A 60 14.233 6.625 -0.602 1.00 0.00 C ATOM 881 O GLY A 60 14.155 7.162 0.503 1.00 0.00 O ATOM 0 H GLY A 60 13.440 8.012 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.125 6.824 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.211 8.273 -1.554 1.00 0.00 H new ATOM 885 N ALA A 61 14.038 5.324 -0.790 1.00 0.00 N ATOM 886 CA ALA A 61 13.714 4.432 0.317 1.00 0.00 C ATOM 887 C ALA A 61 12.361 4.783 0.927 1.00 0.00 C ATOM 888 O ALA A 61 12.231 4.903 2.145 1.00 0.00 O ATOM 889 CB ALA A 61 14.804 4.490 1.377 1.00 0.00 C ATOM 0 H ALA A 61 14.099 4.864 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 61 13.655 3.416 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.549 3.819 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.754 4.183 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.891 5.509 1.755 1.00 0.00 H new ATOM 895 N MET A 62 11.356 4.946 0.072 1.00 0.00 N ATOM 896 CA MET A 62 10.013 5.282 0.528 1.00 0.00 C ATOM 897 C MET A 62 8.984 5.010 -0.564 1.00 0.00 C ATOM 898 O MET A 62 9.207 5.325 -1.734 1.00 0.00 O ATOM 899 CB MET A 62 9.947 6.751 0.952 1.00 0.00 C ATOM 900 CG MET A 62 8.584 7.172 1.476 1.00 0.00 C ATOM 901 SD MET A 62 7.389 7.455 0.155 1.00 0.00 S ATOM 902 CE MET A 62 7.430 9.242 0.040 1.00 0.00 C ATOM 0 H MET A 62 11.447 4.851 -0.939 1.00 0.00 H new ATOM 0 HA MET A 62 9.781 4.653 1.387 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.695 6.932 1.724 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.209 7.379 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.203 6.402 2.146 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.691 8.083 2.065 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.472 9.649 0.362 1.00 0.00 H new ATOM 0 HE2 MET A 62 8.223 9.630 0.680 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.620 9.536 -0.992 1.00 0.00 H new ATOM 912 N LEU A 63 7.857 4.422 -0.177 1.00 0.00 N ATOM 913 CA LEU A 63 6.793 4.107 -1.124 1.00 0.00 C ATOM 914 C LEU A 63 5.455 4.658 -0.643 1.00 0.00 C ATOM 915 O LEU A 63 5.216 4.771 0.559 1.00 0.00 O ATOM 916 CB LEU A 63 6.693 2.593 -1.323 1.00 0.00 C ATOM 917 CG LEU A 63 7.991 1.878 -1.696 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.618 2.516 -2.926 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.966 1.898 -0.528 1.00 0.00 C ATOM 0 H LEU A 63 7.657 4.154 0.786 1.00 0.00 H new ATOM 0 HA LEU A 63 7.037 4.577 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.309 2.151 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.957 2.397 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 63 7.756 0.840 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.541 1.993 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.924 2.449 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.838 3.563 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.884 1.384 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.195 2.930 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.518 1.394 0.328 1.00 0.00 H new ATOM 931 N GLU A 64 4.586 4.997 -1.589 1.00 0.00 N ATOM 932 CA GLU A 64 3.271 5.535 -1.261 1.00 0.00 C ATOM 933 C GLU A 64 2.222 5.055 -2.260 1.00 0.00 C ATOM 934 O GLU A 64 2.273 5.395 -3.443 1.00 0.00 O ATOM 935 CB GLU A 64 3.311 7.065 -1.242 1.00 0.00 C ATOM 936 CG GLU A 64 2.080 7.699 -0.617 1.00 0.00 C ATOM 937 CD GLU A 64 2.188 9.208 -0.516 1.00 0.00 C ATOM 938 OE1 GLU A 64 2.791 9.695 0.463 1.00 0.00 O ATOM 939 OE2 GLU A 64 1.670 9.901 -1.416 1.00 0.00 O ATOM 0 H GLU A 64 4.768 4.909 -2.589 1.00 0.00 H new ATOM 0 HA GLU A 64 2.996 5.174 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.195 7.390 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.418 7.430 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.202 7.440 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.927 7.282 0.378 1.00 0.00 H new ATOM 946 N LEU A 65 1.271 4.263 -1.775 1.00 0.00 N ATOM 947 CA LEU A 65 0.209 3.735 -2.624 1.00 0.00 C ATOM 948 C LEU A 65 -1.137 4.352 -2.259 1.00 0.00 C ATOM 949 O LEU A 65 -1.740 3.998 -1.246 1.00 0.00 O ATOM 950 CB LEU A 65 0.137 2.212 -2.497 1.00 0.00 C ATOM 951 CG LEU A 65 -1.166 1.561 -2.961 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.218 1.493 -4.479 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.312 0.172 -2.357 1.00 0.00 C ATOM 0 H LEU A 65 1.214 3.973 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 65 0.439 3.996 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.959 1.781 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.301 1.946 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.999 2.174 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.153 1.027 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.160 2.501 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.378 0.903 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.245 -0.277 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.474 -0.451 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.322 0.247 -1.270 1.00 0.00 H new ATOM 965 N VAL A 66 -1.605 5.275 -3.093 1.00 0.00 N ATOM 966 CA VAL A 66 -2.882 5.939 -2.861 1.00 0.00 C ATOM 967 C VAL A 66 -4.010 5.240 -3.611 1.00 0.00 C ATOM 968 O VAL A 66 -3.971 5.114 -4.835 1.00 0.00 O ATOM 969 CB VAL A 66 -2.833 7.417 -3.291 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.139 8.117 -2.947 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.653 8.122 -2.640 1.00 0.00 C ATOM 0 H VAL A 66 -1.118 5.580 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.075 5.886 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.700 7.459 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.086 9.160 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.963 7.626 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.306 8.068 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.634 9.165 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.752 8.072 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.726 7.635 -2.942 1.00 0.00 H new ATOM 981 N VAL A 67 -5.015 4.786 -2.869 1.00 0.00 N ATOM 982 CA VAL A 67 -6.156 4.100 -3.464 1.00 0.00 C ATOM 983 C VAL A 67 -7.432 4.917 -3.304 1.00 0.00 C ATOM 984 O VAL A 67 -7.953 5.064 -2.198 1.00 0.00 O ATOM 985 CB VAL A 67 -6.366 2.710 -2.833 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.371 1.904 -3.641 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.042 1.969 -2.723 1.00 0.00 C ATOM 0 H VAL A 67 -5.062 4.881 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.936 3.980 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.766 2.843 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.507 0.925 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.325 2.430 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.002 1.778 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.209 0.989 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.611 1.845 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.356 2.541 -2.098 1.00 0.00 H new ATOM 997 N ARG A 68 -7.933 5.446 -4.416 1.00 0.00 N ATOM 998 CA ARG A 68 -9.149 6.250 -4.399 1.00 0.00 C ATOM 999 C ARG A 68 -10.389 5.361 -4.446 1.00 0.00 C ATOM 1000 O ARG A 68 -10.295 4.162 -4.706 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.160 7.222 -5.580 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.132 8.335 -5.463 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.702 9.545 -4.738 1.00 0.00 C ATOM 1004 NE ARG A 68 -9.345 10.480 -5.657 1.00 0.00 N ATOM 1005 CZ ARG A 68 -8.696 11.134 -6.614 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -7.392 10.954 -6.777 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -9.351 11.968 -7.411 1.00 0.00 N ATOM 0 H ARG A 68 -7.515 5.332 -5.340 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.166 6.819 -3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.977 6.665 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.153 7.664 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.256 7.968 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.798 8.629 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.425 9.214 -3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.903 10.056 -4.201 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.348 10.640 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.886 10.312 -6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.896 11.457 -7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.354 12.108 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.852 12.470 -8.145 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.549 5.958 -4.192 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.807 5.220 -4.205 1.00 0.00 C ATOM 1023 C ASN A 69 -12.784 4.089 -3.181 1.00 0.00 C ATOM 1024 O ASN A 69 -13.099 2.942 -3.499 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.076 4.654 -5.600 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.653 5.691 -6.544 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -12.962 6.622 -6.959 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -14.926 5.536 -6.887 1.00 0.00 N ATOM 0 H ASN A 69 -11.644 6.950 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.608 5.911 -3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.147 4.265 -6.016 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.766 3.814 -5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.369 6.203 -7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.461 4.749 -6.519 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.411 4.421 -1.950 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.348 3.434 -0.877 1.00 0.00 C ATOM 1037 C LEU A 70 -13.719 2.814 -0.626 1.00 0.00 C ATOM 1038 O LEU A 70 -14.744 3.488 -0.732 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.825 4.080 0.407 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.306 4.098 0.579 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.930 4.664 1.940 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.733 2.699 0.405 1.00 0.00 C ATOM 0 H LEU A 70 -12.148 5.366 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.663 2.644 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.187 5.107 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.261 3.555 1.257 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.880 4.742 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.845 4.669 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.308 5.683 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.367 4.046 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.651 2.731 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.166 2.033 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.972 2.330 -0.592 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.729 1.528 -0.292 1.00 0.00 N ATOM 1055 CA ARG A 71 -14.974 0.818 -0.025 1.00 0.00 C ATOM 1056 C ARG A 71 -14.781 -0.222 1.075 1.00 0.00 C ATOM 1057 O ARG A 71 -13.696 -0.773 1.259 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.483 0.140 -1.299 1.00 0.00 C ATOM 1059 CG ARG A 71 -15.853 1.118 -2.402 1.00 0.00 C ATOM 1060 CD ARG A 71 -17.234 1.714 -2.179 1.00 0.00 C ATOM 1061 NE ARG A 71 -18.267 0.686 -2.098 1.00 0.00 N ATOM 1062 CZ ARG A 71 -18.768 0.062 -3.159 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -18.332 0.361 -4.375 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -19.707 -0.862 -3.004 1.00 0.00 N ATOM 0 H ARG A 71 -12.889 0.956 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.713 1.545 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.716 -0.540 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.355 -0.466 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.113 1.917 -2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.827 0.608 -3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.232 2.299 -1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.468 2.400 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.624 0.433 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.610 1.071 -4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.718 -0.119 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.045 -1.094 -2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.091 -1.341 -3.819 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.859 -0.498 1.824 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.834 -1.473 2.919 1.00 0.00 C ATOM 1080 C PRO A 72 -15.696 -2.906 2.415 1.00 0.00 C ATOM 1081 O PRO A 72 -15.371 -3.813 3.181 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.189 -1.274 3.602 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.072 -0.719 2.538 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.185 0.121 1.661 1.00 0.00 C ATOM 0 HA PRO A 72 -14.982 -1.321 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.579 -2.215 3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.110 -0.590 4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.543 -1.518 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.874 -0.120 2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.513 0.101 0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.182 1.165 1.975 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.945 -3.101 1.124 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.848 -4.424 0.520 1.00 0.00 C ATOM 1094 C GLN A 73 -14.435 -4.688 0.010 1.00 0.00 C ATOM 1095 O GLN A 73 -14.123 -5.789 -0.443 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.850 -4.559 -0.627 1.00 0.00 C ATOM 1097 CG GLN A 73 -16.607 -3.581 -1.766 1.00 0.00 C ATOM 1098 CD GLN A 73 -17.049 -4.127 -3.109 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.035 -3.477 -3.717 1.00 0.00 O flip ATOM 1100 NE2 GLN A 73 -16.512 -5.123 -3.595 1.00 0.00 N flip ATOM 0 H GLN A 73 -16.215 -2.360 0.477 1.00 0.00 H new ATOM 0 HA GLN A 73 -16.082 -5.163 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.808 -5.576 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -17.857 -4.408 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.140 -2.652 -1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.546 -3.336 -1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.758 -5.592 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.822 -5.479 -4.499 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.584 -3.671 0.087 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.203 -3.792 -0.366 1.00 0.00 C ATOM 1111 C ASP A 74 -11.267 -4.056 0.809 1.00 0.00 C ATOM 1112 O ASP A 74 -10.102 -4.405 0.621 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.772 -2.523 -1.103 1.00 0.00 C ATOM 1114 CG ASP A 74 -10.300 -2.535 -1.463 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -9.752 -3.635 -1.683 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -9.695 -1.444 -1.524 1.00 0.00 O ATOM 0 H ASP A 74 -13.826 -2.753 0.459 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.144 -4.638 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.364 -2.415 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.984 -1.654 -0.479 1.00 0.00 H new ATOM 1121 N SER A 75 -11.785 -3.886 2.021 1.00 0.00 N ATOM 1122 CA SER A 75 -10.993 -4.100 3.228 1.00 0.00 C ATOM 1123 C SER A 75 -10.193 -5.395 3.129 1.00 0.00 C ATOM 1124 O SER A 75 -10.750 -6.490 3.210 1.00 0.00 O ATOM 1125 CB SER A 75 -11.902 -4.141 4.458 1.00 0.00 C ATOM 1126 OG SER A 75 -12.965 -3.211 4.338 1.00 0.00 O ATOM 0 H SER A 75 -12.749 -3.601 2.194 1.00 0.00 H new ATOM 0 HA SER A 75 -10.295 -3.269 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.306 -5.146 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.320 -3.919 5.352 1.00 0.00 H new ATOM 0 HG SER A 75 -13.726 -3.639 3.892 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.882 -5.262 2.953 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.026 -6.429 2.846 1.00 0.00 C ATOM 1134 C GLY A 76 -6.624 -6.168 3.363 1.00 0.00 C ATOM 1135 O GLY A 76 -6.390 -5.194 4.077 1.00 0.00 O ATOM 0 H GLY A 76 -8.398 -4.367 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.469 -7.253 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.973 -6.743 1.804 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.691 -7.043 3.002 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.306 -6.904 3.436 1.00 0.00 C ATOM 1141 C ARG A 77 -3.369 -6.792 2.237 1.00 0.00 C ATOM 1142 O ARG A 77 -3.299 -7.696 1.404 1.00 0.00 O ATOM 1143 CB ARG A 77 -3.900 -8.096 4.305 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.418 -8.127 4.642 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.111 -9.168 5.707 1.00 0.00 C ATOM 1146 NE ARG A 77 -2.315 -10.529 5.218 1.00 0.00 N ATOM 1147 CZ ARG A 77 -2.393 -11.591 6.012 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -2.284 -11.450 7.326 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -2.581 -12.797 5.492 1.00 0.00 N ATOM 0 H ARG A 77 -5.869 -7.855 2.411 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.226 -5.990 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.474 -8.072 5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.166 -9.018 3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.843 -8.345 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.102 -7.144 4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.079 -9.053 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.747 -8.996 6.576 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.402 -10.672 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.140 -10.524 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.344 -12.267 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.666 -12.909 4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.641 -13.612 6.102 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.651 -5.677 2.156 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.720 -5.445 1.058 1.00 0.00 C ATOM 1165 C TYR A 78 -0.344 -6.020 1.380 1.00 0.00 C ATOM 1166 O TYR A 78 -0.035 -6.312 2.535 1.00 0.00 O ATOM 1167 CB TYR A 78 -1.605 -3.948 0.767 1.00 0.00 C ATOM 1168 CG TYR A 78 -2.898 -3.321 0.297 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.017 -3.288 1.121 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.002 -2.762 -0.970 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.200 -2.717 0.696 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -4.181 -2.187 -1.404 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.277 -2.168 -0.567 1.00 0.00 C ATOM 1174 OH TYR A 78 -6.454 -1.597 -0.994 1.00 0.00 O ATOM 0 H TYR A 78 -2.696 -4.920 2.838 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.107 -5.951 0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.270 -3.436 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.838 -3.792 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.960 -3.716 2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.146 -2.777 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.060 -2.700 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.244 -1.755 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.340 -1.256 -1.906 1.00 0.00 H new ATOM 1184 N SER A 79 0.479 -6.178 0.349 1.00 0.00 N ATOM 1185 CA SER A 79 1.822 -6.721 0.519 1.00 0.00 C ATOM 1186 C SER A 79 2.723 -6.318 -0.645 1.00 0.00 C ATOM 1187 O SER A 79 2.398 -6.562 -1.808 1.00 0.00 O ATOM 1188 CB SER A 79 1.769 -8.245 0.634 1.00 0.00 C ATOM 1189 OG SER A 79 3.069 -8.793 0.764 1.00 0.00 O ATOM 0 H SER A 79 0.240 -5.938 -0.613 1.00 0.00 H new ATOM 0 HA SER A 79 2.239 -6.309 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.165 -8.527 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.282 -8.662 -0.247 1.00 0.00 H new ATOM 0 HG SER A 79 3.590 -8.254 1.395 1.00 0.00 H new ATOM 1195 N CYS A 80 3.854 -5.701 -0.324 1.00 0.00 N ATOM 1196 CA CYS A 80 4.802 -5.263 -1.342 1.00 0.00 C ATOM 1197 C CYS A 80 5.983 -6.223 -1.434 1.00 0.00 C ATOM 1198 O CYS A 80 6.787 -6.325 -0.507 1.00 0.00 O ATOM 1199 CB CYS A 80 5.300 -3.851 -1.031 1.00 0.00 C ATOM 1200 SG CYS A 80 5.821 -2.915 -2.488 1.00 0.00 S ATOM 0 H CYS A 80 4.137 -5.493 0.633 1.00 0.00 H new ATOM 0 HA CYS A 80 4.288 -5.255 -2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.507 -3.301 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.137 -3.917 -0.336 1.00 0.00 H new ATOM 0 HG CYS A 80 5.454 -3.546 -3.563 1.00 0.00 H new ATOM 1206 N SER A 81 6.081 -6.927 -2.557 1.00 0.00 N ATOM 1207 CA SER A 81 7.161 -7.884 -2.768 1.00 0.00 C ATOM 1208 C SER A 81 8.400 -7.190 -3.325 1.00 0.00 C ATOM 1209 O SER A 81 8.329 -6.475 -4.325 1.00 0.00 O ATOM 1210 CB SER A 81 6.710 -8.992 -3.722 1.00 0.00 C ATOM 1211 OG SER A 81 7.382 -10.209 -3.444 1.00 0.00 O ATOM 0 H SER A 81 5.426 -6.853 -3.335 1.00 0.00 H new ATOM 0 HA SER A 81 7.416 -8.326 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.634 -9.138 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.906 -8.692 -4.751 1.00 0.00 H new ATOM 0 HG SER A 81 7.075 -10.902 -4.066 1.00 0.00 H new ATOM 1217 N PHE A 82 9.537 -7.407 -2.671 1.00 0.00 N ATOM 1218 CA PHE A 82 10.793 -6.803 -3.099 1.00 0.00 C ATOM 1219 C PHE A 82 11.984 -7.625 -2.618 1.00 0.00 C ATOM 1220 O PHE A 82 12.059 -8.005 -1.450 1.00 0.00 O ATOM 1221 CB PHE A 82 10.901 -5.371 -2.571 1.00 0.00 C ATOM 1222 CG PHE A 82 12.306 -4.841 -2.558 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.978 -4.594 -3.744 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.955 -4.590 -1.360 1.00 0.00 C ATOM 1225 CE1 PHE A 82 14.271 -4.105 -3.737 1.00 0.00 C ATOM 1226 CE2 PHE A 82 14.248 -4.101 -1.346 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.907 -3.860 -2.536 1.00 0.00 C ATOM 0 H PHE A 82 9.614 -7.997 -1.842 1.00 0.00 H new ATOM 0 HA PHE A 82 10.804 -6.783 -4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.281 -4.718 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.498 -5.334 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.486 -4.786 -4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.445 -4.778 -0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.783 -3.915 -4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.743 -3.908 -0.406 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.918 -3.481 -2.527 1.00 0.00 H new ATOM 1237 N GLY A 83 12.914 -7.898 -3.529 1.00 0.00 N ATOM 1238 CA GLY A 83 14.089 -8.674 -3.179 1.00 0.00 C ATOM 1239 C GLY A 83 13.739 -10.055 -2.662 1.00 0.00 C ATOM 1240 O GLY A 83 13.227 -10.893 -3.405 1.00 0.00 O ATOM 0 H GLY A 83 12.874 -7.596 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.732 -8.769 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.661 -8.140 -2.420 1.00 0.00 H new ATOM 1244 N ASP A 84 14.017 -10.295 -1.385 1.00 0.00 N ATOM 1245 CA ASP A 84 13.728 -11.584 -0.768 1.00 0.00 C ATOM 1246 C ASP A 84 12.700 -11.435 0.349 1.00 0.00 C ATOM 1247 O ASP A 84 11.862 -12.311 0.554 1.00 0.00 O ATOM 1248 CB ASP A 84 15.011 -12.209 -0.218 1.00 0.00 C ATOM 1249 CG ASP A 84 14.875 -13.701 0.016 1.00 0.00 C ATOM 1250 OD1 ASP A 84 14.840 -14.456 -0.978 1.00 0.00 O ATOM 1251 OD2 ASP A 84 14.804 -14.112 1.192 1.00 0.00 O ATOM 0 H ASP A 84 14.442 -9.613 -0.757 1.00 0.00 H new ATOM 0 HA ASP A 84 13.313 -12.240 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.828 -12.027 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.277 -11.720 0.719 1.00 0.00 H new ATOM 1256 N GLN A 85 12.773 -10.319 1.068 1.00 0.00 N ATOM 1257 CA GLN A 85 11.850 -10.056 2.165 1.00 0.00 C ATOM 1258 C GLN A 85 10.529 -9.500 1.644 1.00 0.00 C ATOM 1259 O GLN A 85 10.484 -8.860 0.593 1.00 0.00 O ATOM 1260 CB GLN A 85 12.473 -9.075 3.160 1.00 0.00 C ATOM 1261 CG GLN A 85 13.744 -9.595 3.811 1.00 0.00 C ATOM 1262 CD GLN A 85 14.977 -9.349 2.964 1.00 0.00 C ATOM 1263 OE1 GLN A 85 15.044 -8.375 2.213 1.00 0.00 O ATOM 1264 NE2 GLN A 85 15.962 -10.232 3.080 1.00 0.00 N ATOM 0 H GLN A 85 13.462 -9.583 0.910 1.00 0.00 H new ATOM 0 HA GLN A 85 11.651 -11.000 2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.694 -8.140 2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.744 -8.846 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.873 -9.115 4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.642 -10.664 3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.864 -11.025 3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 85 16.816 -10.118 2.535 1.00 0.00 H new ATOM 1273 N THR A 86 9.454 -9.748 2.386 1.00 0.00 N ATOM 1274 CA THR A 86 8.132 -9.274 1.998 1.00 0.00 C ATOM 1275 C THR A 86 7.321 -8.848 3.217 1.00 0.00 C ATOM 1276 O THR A 86 7.320 -9.528 4.243 1.00 0.00 O ATOM 1277 CB THR A 86 7.350 -10.355 1.228 1.00 0.00 C ATOM 1278 OG1 THR A 86 8.098 -10.777 0.082 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.992 -9.831 0.788 1.00 0.00 C ATOM 0 H THR A 86 9.474 -10.275 3.259 1.00 0.00 H new ATOM 0 HA THR A 86 8.284 -8.413 1.347 1.00 0.00 H new ATOM 0 HB THR A 86 7.195 -11.204 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.595 -11.465 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.459 -10.612 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.414 -9.537 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.129 -8.967 0.138 1.00 0.00 H new ATOM 1287 N THR A 87 6.630 -7.718 3.097 1.00 0.00 N ATOM 1288 CA THR A 87 5.815 -7.202 4.190 1.00 0.00 C ATOM 1289 C THR A 87 4.363 -7.032 3.759 1.00 0.00 C ATOM 1290 O THR A 87 4.069 -6.901 2.571 1.00 0.00 O ATOM 1291 CB THR A 87 6.349 -5.849 4.698 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.691 -5.490 5.918 1.00 0.00 O ATOM 1293 CG2 THR A 87 6.136 -4.758 3.660 1.00 0.00 C ATOM 0 H THR A 87 6.619 -7.143 2.254 1.00 0.00 H new ATOM 0 HA THR A 87 5.869 -7.932 4.997 1.00 0.00 H new ATOM 0 HB THR A 87 7.419 -5.951 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.953 -4.876 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.521 -3.812 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.663 -5.021 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.071 -4.658 3.451 1.00 0.00 H new ATOM 1301 N SER A 88 3.458 -7.035 4.733 1.00 0.00 N ATOM 1302 CA SER A 88 2.035 -6.885 4.454 1.00 0.00 C ATOM 1303 C SER A 88 1.336 -6.136 5.585 1.00 0.00 C ATOM 1304 O SER A 88 1.758 -6.198 6.739 1.00 0.00 O ATOM 1305 CB SER A 88 1.384 -8.256 4.256 1.00 0.00 C ATOM 1306 OG SER A 88 1.242 -8.935 5.492 1.00 0.00 O ATOM 0 H SER A 88 3.685 -7.140 5.722 1.00 0.00 H new ATOM 0 HA SER A 88 1.929 -6.305 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.406 -8.134 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.989 -8.855 3.576 1.00 0.00 H new ATOM 0 HG SER A 88 0.822 -9.807 5.340 1.00 0.00 H new ATOM 1312 N ALA A 89 0.263 -5.429 5.244 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.496 -4.669 6.229 1.00 0.00 C ATOM 1314 C ALA A 89 -1.994 -4.767 5.961 1.00 0.00 C ATOM 1315 O ALA A 89 -2.422 -4.942 4.820 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.052 -3.214 6.231 1.00 0.00 C ATOM 0 H ALA A 89 -0.100 -5.367 4.293 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.300 -5.097 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.628 -2.659 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.008 -3.157 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.218 -2.782 5.244 1.00 0.00 H new ATOM 1322 N THR A 90 -2.789 -4.652 7.021 1.00 0.00 N ATOM 1323 CA THR A 90 -4.239 -4.729 6.900 1.00 0.00 C ATOM 1324 C THR A 90 -4.864 -3.339 6.888 1.00 0.00 C ATOM 1325 O THR A 90 -4.459 -2.458 7.648 1.00 0.00 O ATOM 1326 CB THR A 90 -4.856 -5.547 8.051 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.366 -6.892 8.013 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.374 -5.552 7.958 1.00 0.00 C ATOM 0 H THR A 90 -2.452 -4.505 7.973 1.00 0.00 H new ATOM 0 HA THR A 90 -4.451 -5.228 5.955 1.00 0.00 H new ATOM 0 HB THR A 90 -4.567 -5.082 8.994 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.761 -7.405 8.748 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.787 -6.136 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.745 -4.529 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.679 -5.995 7.010 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.854 -3.148 6.023 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.537 -1.864 5.913 1.00 0.00 C ATOM 1338 C LEU A 91 -8.001 -1.989 6.320 1.00 0.00 C ATOM 1339 O LEU A 91 -8.750 -2.784 5.751 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.437 -1.332 4.482 1.00 0.00 C ATOM 1341 CG LEU A 91 -6.941 0.094 4.259 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.039 1.095 4.964 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.025 0.404 2.771 1.00 0.00 C ATOM 0 H LEU A 91 -6.202 -3.866 5.388 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.050 -1.162 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.394 -1.380 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.997 -2.000 3.827 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.942 0.176 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.413 2.105 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.030 0.886 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.026 1.012 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.386 1.423 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.037 0.304 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.713 -0.293 2.292 1.00 0.00 H new ATOM 1355 N THR A 92 -8.405 -1.196 7.309 1.00 0.00 N ATOM 1356 CA THR A 92 -9.780 -1.217 7.792 1.00 0.00 C ATOM 1357 C THR A 92 -10.568 -0.027 7.258 1.00 0.00 C ATOM 1358 O THR A 92 -10.180 1.125 7.452 1.00 0.00 O ATOM 1359 CB THR A 92 -9.834 -1.206 9.331 1.00 0.00 C ATOM 1360 OG1 THR A 92 -9.088 -2.310 9.856 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.272 -1.280 9.822 1.00 0.00 C ATOM 0 H THR A 92 -7.799 -0.532 7.790 1.00 0.00 H new ATOM 0 HA THR A 92 -10.230 -2.140 7.427 1.00 0.00 H new ATOM 0 HB THR A 92 -9.394 -0.272 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.126 -2.294 10.835 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.285 -1.271 10.912 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.830 -0.423 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.733 -2.200 9.461 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.678 -0.312 6.585 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.523 0.736 6.025 1.00 0.00 C ATOM 1371 C VAL A 93 -13.894 0.752 6.691 1.00 0.00 C ATOM 1372 O VAL A 93 -14.572 -0.274 6.767 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.705 0.558 4.506 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.580 1.665 3.939 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.353 0.525 3.808 1.00 0.00 C ATOM 0 H VAL A 93 -12.013 -1.260 6.414 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.019 1.684 6.215 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.204 -0.394 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.697 1.522 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.559 1.636 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.112 2.631 4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.500 0.399 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.825 1.460 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.765 -0.307 4.194 1.00 0.00 H new ATOM 1385 N THR A 94 -14.298 1.923 7.173 1.00 0.00 N ATOM 1386 CA THR A 94 -15.588 2.073 7.835 1.00 0.00 C ATOM 1387 C THR A 94 -16.686 2.404 6.830 1.00 0.00 C ATOM 1388 O THR A 94 -16.479 3.191 5.907 1.00 0.00 O ATOM 1389 CB THR A 94 -15.544 3.175 8.910 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.537 2.870 9.882 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.894 3.315 9.597 1.00 0.00 C ATOM 0 H THR A 94 -13.750 2.782 7.117 1.00 0.00 H new ATOM 0 HA THR A 94 -15.811 1.119 8.313 1.00 0.00 H new ATOM 0 HB THR A 94 -15.303 4.119 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.514 3.576 10.561 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.838 4.099 10.352 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.653 3.575 8.859 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.160 2.371 10.073 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.854 1.798 7.015 1.00 0.00 N ATOM 1400 CA ALA A 95 -18.985 2.031 6.126 1.00 0.00 C ATOM 1401 C ALA A 95 -19.863 3.167 6.641 1.00 0.00 C ATOM 1402 O ALA A 95 -20.259 3.180 7.807 1.00 0.00 O ATOM 1403 CB ALA A 95 -19.804 0.758 5.969 1.00 0.00 C ATOM 0 H ALA A 95 -18.042 1.142 7.773 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.595 2.322 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.646 0.947 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.177 -0.028 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.177 0.443 6.944 1.00 0.00 H new ATOM 1409 N LEU A 96 -20.164 4.119 5.765 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.996 5.260 6.131 1.00 0.00 C ATOM 1411 C LEU A 96 -22.198 4.815 6.957 1.00 0.00 C ATOM 1412 O LEU A 96 -22.763 3.742 6.748 1.00 0.00 O ATOM 1413 CB LEU A 96 -21.469 5.995 4.875 1.00 0.00 C ATOM 1414 CG LEU A 96 -20.412 6.823 4.143 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -20.929 7.266 2.783 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -20.005 8.028 4.979 1.00 0.00 C ATOM 0 H LEU A 96 -19.844 4.124 4.796 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.394 5.938 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.872 5.260 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -22.291 6.655 5.153 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.532 6.199 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -20.164 7.854 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -21.170 6.389 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.825 7.873 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.252 8.606 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.878 8.654 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.593 7.689 5.929 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.602 5.661 7.917 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.743 5.377 8.793 1.00 0.00 C ATOM 1430 C PRO A 97 -25.072 5.433 8.049 1.00 0.00 C ATOM 1431 O PRO A 97 -25.171 6.034 6.979 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.670 6.490 9.842 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.955 7.606 9.161 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.975 6.958 8.222 1.00 0.00 C ATOM 0 HA PRO A 97 -23.695 4.372 9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.665 6.796 10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.134 6.161 10.732 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.653 8.243 8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.442 8.240 9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.827 7.554 7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.997 6.832 8.686 1.00 0.00 H new ATOM 1442 N SER A 98 -26.093 4.804 8.622 1.00 0.00 N ATOM 1443 CA SER A 98 -27.417 4.779 8.010 1.00 0.00 C ATOM 1444 C SER A 98 -28.325 5.833 8.638 1.00 0.00 C ATOM 1445 O SER A 98 -28.726 6.793 7.982 1.00 0.00 O ATOM 1446 CB SER A 98 -28.046 3.393 8.161 1.00 0.00 C ATOM 1447 OG SER A 98 -27.414 2.451 7.311 1.00 0.00 O ATOM 0 H SER A 98 -26.029 4.305 9.509 1.00 0.00 H new ATOM 0 HA SER A 98 -27.305 5.005 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 98 -27.965 3.064 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.109 3.445 7.925 1.00 0.00 H new ATOM 0 HG SER A 98 -27.833 1.573 7.427 1.00 0.00 H new ATOM 1453 N GLY A 99 -28.645 5.645 9.915 1.00 0.00 N ATOM 1454 CA GLY A 99 -29.503 6.586 10.610 1.00 0.00 C ATOM 1455 C GLY A 99 -29.855 6.123 12.010 1.00 0.00 C ATOM 1456 O GLY A 99 -30.911 5.534 12.245 1.00 0.00 O ATOM 0 H GLY A 99 -28.325 4.858 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -29.006 7.554 10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -30.419 6.730 10.037 1.00 0.00 H new ATOM 1460 N PRO A 100 -28.956 6.389 12.970 1.00 0.00 N ATOM 1461 CA PRO A 100 -29.155 6.003 14.370 1.00 0.00 C ATOM 1462 C PRO A 100 -30.258 6.813 15.043 1.00 0.00 C ATOM 1463 O PRO A 100 -30.844 6.377 16.034 1.00 0.00 O ATOM 1464 CB PRO A 100 -27.801 6.304 15.016 1.00 0.00 C ATOM 1465 CG PRO A 100 -27.199 7.364 14.160 1.00 0.00 C ATOM 1466 CD PRO A 100 -27.676 7.087 12.761 1.00 0.00 C ATOM 0 HA PRO A 100 -29.467 4.963 14.466 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -27.920 6.646 16.044 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -27.171 5.415 15.047 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -27.510 8.355 14.489 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -26.111 7.338 14.214 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -27.808 8.007 12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -26.967 6.470 12.209 1.00 0.00 H new ATOM 1474 N SER A 101 -30.537 7.993 14.498 1.00 0.00 N ATOM 1475 CA SER A 101 -31.568 8.865 15.048 1.00 0.00 C ATOM 1476 C SER A 101 -32.818 8.068 15.407 1.00 0.00 C ATOM 1477 O SER A 101 -33.335 8.170 16.519 1.00 0.00 O ATOM 1478 CB SER A 101 -31.921 9.967 14.048 1.00 0.00 C ATOM 1479 OG SER A 101 -32.856 10.877 14.600 1.00 0.00 O ATOM 0 H SER A 101 -30.063 8.367 13.676 1.00 0.00 H new ATOM 0 HA SER A 101 -31.176 9.322 15.957 1.00 0.00 H new ATOM 0 HB2 SER A 101 -31.017 10.502 13.757 1.00 0.00 H new ATOM 0 HB3 SER A 101 -32.333 9.522 13.142 1.00 0.00 H new ATOM 0 HG SER A 101 -33.064 11.572 13.941 1.00 0.00 H new ATOM 1485 N SER A 102 -33.299 7.274 14.455 1.00 0.00 N ATOM 1486 CA SER A 102 -34.492 6.462 14.668 1.00 0.00 C ATOM 1487 C SER A 102 -34.127 4.987 14.804 1.00 0.00 C ATOM 1488 O SER A 102 -33.252 4.484 14.101 1.00 0.00 O ATOM 1489 CB SER A 102 -35.476 6.651 13.512 1.00 0.00 C ATOM 1490 OG SER A 102 -34.952 6.127 12.305 1.00 0.00 O ATOM 0 H SER A 102 -32.881 7.176 13.530 1.00 0.00 H new ATOM 0 HA SER A 102 -34.964 6.789 15.595 1.00 0.00 H new ATOM 0 HB2 SER A 102 -36.418 6.156 13.748 1.00 0.00 H new ATOM 0 HB3 SER A 102 -35.695 7.711 13.387 1.00 0.00 H new ATOM 0 HG SER A 102 -35.601 6.259 11.582 1.00 0.00 H new ATOM 1496 N GLY A 103 -34.806 4.297 15.716 1.00 0.00 N ATOM 1497 CA GLY A 103 -34.540 2.887 15.930 1.00 0.00 C ATOM 1498 C GLY A 103 -35.078 2.019 14.809 1.00 0.00 C ATOM 1499 O GLY A 103 -36.257 2.101 14.464 1.00 0.00 O ATOM 0 H GLY A 103 -35.536 4.690 16.310 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -33.465 2.733 16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -34.987 2.575 16.874 1.00 0.00 H new TER 1503 GLY A 103