USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 795 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 47 GLN : amide:sc= -0.71 X(o=0.049,f=0.093) USER MOD Set 1.2: A 58 MET CE :methyl 145:sc= -1.24 (180deg=-1.69) USER MOD Set 1.3: A 98 THR OG1 : rot -20:sc= 0.828 USER MOD Set 1.4: A 104 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 127 SER OG : rot 158:sc= 1.17 USER MOD Set 2.1: A 78 SER OG : rot -90:sc= 1.29 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -134:sc= 0.0167 (180deg=-0.103) USER MOD Set 3.1: A 29 TYR OH : rot 39:sc= 1.19 USER MOD Set 3.2: A 76 GLN : amide:sc= 1.06 K(o=2.2,f=-2.3) USER MOD Set 4.1: A 70 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.2) USER MOD Set 4.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 61 SER OG : rot 77:sc= 0.848 USER MOD Set 5.2: A 68 SER OG : rot -4:sc= 1.95 USER MOD Set 6.1: A 62 GLN : amide:sc= -1.36! C(o=-0.28!,f=-2.9!) USER MOD Set 6.2: A 126 HIS : no HE2:sc= 1.08 K(o=-0.28,f=-8.3!) USER MOD Set 7.1: A 38 THR OG1 : rot 73:sc= 0.369 USER MOD Set 7.2: A 40 SER OG : rot -160:sc= 0.379 USER MOD Single : A 27 SER OG : rot 7:sc= 1.21 USER MOD Single : A 34 GLN :FLIP amide:sc=-0.00721 F(o=-1.2,f=-0.0072) USER MOD Single : A 41 ASN : amide:sc= -0.386 K(o=-0.39,f=-2.9!) USER MOD Single : A 42 SER OG : rot 154:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.0363 (180deg=-0.241) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.189 F(o=-1.9!,f=-0.19) USER MOD Single : A 63 SER OG : rot 80:sc= 0.77 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0781 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= 1.03 (180deg=0.175) USER MOD Single : A 75 SER OG : rot 180:sc= 0.047 USER MOD Single : A 82 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.96) USER MOD Single : A 85 ASN : amide:sc= -0.0813 X(o=-0.081,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc=-0.00449 (180deg=-0.0537) USER MOD Single : A 99 TYR OH : rot 30:sc= -0.011 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.27) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HD1:sc= -0.0249 F(o=-0.67,f=-0.025) USER MOD Single : A 120 SER OG : rot 55:sc= -0.343 USER MOD Single : A 122 ASN :FLIP amide:sc= -1.67! C(o=-3.8!,f=-1.7!) USER MOD Single : A 124 MET CE :methyl 170:sc= -0.0226 (180deg=-0.269) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.213 -1.386 11.216 1.00 0.00 N ATOM 24 CA LEU A 26 -6.863 -0.939 10.907 1.00 0.00 C ATOM 25 C LEU A 26 -6.891 -0.081 9.655 1.00 0.00 C ATOM 26 O LEU A 26 -6.852 -0.598 8.547 1.00 0.00 O ATOM 27 CB LEU A 26 -5.902 -2.117 10.692 1.00 0.00 C ATOM 28 CG LEU A 26 -5.581 -2.961 11.929 1.00 0.00 C ATOM 29 CD1 LEU A 26 -6.694 -3.953 12.214 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.255 -3.680 11.747 1.00 0.00 C ATOM 0 HA LEU A 26 -6.501 -0.363 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.327 -2.772 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.966 -1.727 10.291 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.500 -2.293 12.787 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.441 -4.540 13.097 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.625 -3.414 12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.816 -4.618 11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.040 -4.276 12.634 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.312 -4.333 10.876 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.461 -2.948 11.600 1.00 0.00 H new ATOM 42 N SER A 27 -6.979 1.222 9.820 1.00 0.00 N ATOM 43 CA SER A 27 -7.067 2.116 8.679 1.00 0.00 C ATOM 44 C SER A 27 -5.775 2.903 8.528 1.00 0.00 C ATOM 45 O SER A 27 -5.052 3.112 9.499 1.00 0.00 O ATOM 46 CB SER A 27 -8.259 3.063 8.844 1.00 0.00 C ATOM 47 OG SER A 27 -8.193 3.786 10.066 1.00 0.00 O ATOM 0 H SER A 27 -6.992 1.687 10.728 1.00 0.00 H new ATOM 0 HA SER A 27 -7.217 1.524 7.776 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.286 3.763 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.186 2.490 8.810 1.00 0.00 H new ATOM 0 HG SER A 27 -7.333 3.612 10.503 1.00 0.00 H new ATOM 53 N TRP A 28 -5.482 3.347 7.310 1.00 0.00 N ATOM 54 CA TRP A 28 -4.277 4.133 7.070 1.00 0.00 C ATOM 55 C TRP A 28 -4.426 5.562 7.588 1.00 0.00 C ATOM 56 O TRP A 28 -3.597 6.424 7.308 1.00 0.00 O ATOM 57 CB TRP A 28 -3.877 4.124 5.585 1.00 0.00 C ATOM 58 CG TRP A 28 -4.970 4.467 4.606 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.136 5.142 4.849 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.975 4.163 3.205 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.864 5.258 3.691 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.172 4.668 2.669 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.079 3.506 2.353 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.499 4.539 1.322 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.406 3.380 1.014 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.607 3.896 0.511 1.00 0.00 C ATOM 0 H TRP A 28 -6.055 3.179 6.483 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.472 3.659 7.631 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.057 4.828 5.445 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.493 3.134 5.338 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.439 5.527 5.811 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.774 5.711 3.606 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.151 3.105 2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.426 4.933 0.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.724 2.875 0.346 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.833 3.783 -0.539 1.00 0.00 H new ATOM 77 N TYR A 29 -5.487 5.798 8.351 1.00 0.00 N ATOM 78 CA TYR A 29 -5.672 7.060 9.046 1.00 0.00 C ATOM 79 C TYR A 29 -5.258 6.920 10.505 1.00 0.00 C ATOM 80 O TYR A 29 -5.177 7.907 11.236 1.00 0.00 O ATOM 81 CB TYR A 29 -7.126 7.527 8.958 1.00 0.00 C ATOM 82 CG TYR A 29 -7.437 8.313 7.703 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.561 7.683 6.471 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.589 9.692 7.751 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.834 8.405 5.327 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.860 10.418 6.611 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.980 9.772 5.403 1.00 0.00 C ATOM 88 OH TYR A 29 -8.240 10.498 4.266 1.00 0.00 O ATOM 0 H TYR A 29 -6.237 5.123 8.503 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.043 7.808 8.564 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.781 6.657 9.003 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.354 8.143 9.828 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.442 6.611 6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.493 10.204 8.697 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.933 7.900 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.978 11.490 6.666 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.866 10.003 3.698 1.00 0.00 H new ATOM 98 N ASP A 30 -5.003 5.682 10.919 1.00 0.00 N ATOM 99 CA ASP A 30 -4.543 5.404 12.270 1.00 0.00 C ATOM 100 C ASP A 30 -3.153 5.981 12.483 1.00 0.00 C ATOM 101 O ASP A 30 -2.231 5.707 11.712 1.00 0.00 O ATOM 102 CB ASP A 30 -4.516 3.897 12.537 1.00 0.00 C ATOM 103 CG ASP A 30 -5.879 3.326 12.881 1.00 0.00 C ATOM 104 OD1 ASP A 30 -6.218 3.289 14.082 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.613 2.894 11.965 1.00 0.00 O ATOM 0 H ASP A 30 -5.109 4.854 10.333 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.240 5.872 12.965 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.127 3.386 11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.826 3.692 13.356 1.00 0.00 H new ATOM 110 N PRO A 31 -2.989 6.799 13.533 1.00 0.00 N ATOM 111 CA PRO A 31 -1.709 7.446 13.851 1.00 0.00 C ATOM 112 C PRO A 31 -0.592 6.441 14.120 1.00 0.00 C ATOM 113 O PRO A 31 0.590 6.755 13.973 1.00 0.00 O ATOM 114 CB PRO A 31 -2.013 8.252 15.117 1.00 0.00 C ATOM 115 CG PRO A 31 -3.492 8.414 15.128 1.00 0.00 C ATOM 116 CD PRO A 31 -4.045 7.174 14.490 1.00 0.00 C ATOM 0 HA PRO A 31 -1.351 8.052 13.019 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.667 7.730 16.009 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.511 9.219 15.099 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.865 8.529 16.146 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.792 9.305 14.576 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.224 6.388 15.223 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.994 7.366 13.990 1.00 0.00 H new ATOM 124 N ASP A 32 -0.969 5.236 14.518 1.00 0.00 N ATOM 125 CA ASP A 32 0.006 4.187 14.786 1.00 0.00 C ATOM 126 C ASP A 32 -0.109 3.055 13.779 1.00 0.00 C ATOM 127 O ASP A 32 0.214 1.905 14.082 1.00 0.00 O ATOM 128 CB ASP A 32 -0.149 3.635 16.204 1.00 0.00 C ATOM 129 CG ASP A 32 0.283 4.622 17.263 1.00 0.00 C ATOM 130 OD1 ASP A 32 1.472 5.008 17.270 1.00 0.00 O ATOM 131 OD2 ASP A 32 -0.565 5.022 18.085 1.00 0.00 O ATOM 0 H ASP A 32 -1.940 4.959 14.663 1.00 0.00 H new ATOM 0 HA ASP A 32 0.994 4.638 14.692 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.191 3.361 16.371 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.440 2.723 16.301 1.00 0.00 H new ATOM 136 N PHE A 33 -0.583 3.371 12.583 1.00 0.00 N ATOM 137 CA PHE A 33 -0.630 2.388 11.517 1.00 0.00 C ATOM 138 C PHE A 33 0.717 2.358 10.806 1.00 0.00 C ATOM 139 O PHE A 33 0.967 3.140 9.883 1.00 0.00 O ATOM 140 CB PHE A 33 -1.758 2.706 10.532 1.00 0.00 C ATOM 141 CG PHE A 33 -2.026 1.601 9.549 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.761 0.489 9.928 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.543 1.670 8.252 1.00 0.00 C ATOM 144 CE1 PHE A 33 -3.009 -0.532 9.032 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.787 0.652 7.352 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.522 -0.450 7.743 1.00 0.00 C ATOM 0 H PHE A 33 -0.937 4.293 12.330 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.834 1.406 11.943 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.670 2.913 11.091 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.506 3.615 9.985 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.144 0.420 10.935 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.969 2.530 7.942 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.583 -1.394 9.339 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.404 0.717 6.344 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.716 -1.247 7.041 1.00 0.00 H new ATOM 156 N GLN A 34 1.587 1.467 11.263 1.00 0.00 N ATOM 157 CA GLN A 34 2.945 1.373 10.741 1.00 0.00 C ATOM 158 C GLN A 34 2.945 0.935 9.280 1.00 0.00 C ATOM 159 O GLN A 34 2.317 -0.062 8.914 1.00 0.00 O ATOM 160 CB GLN A 34 3.784 0.396 11.572 1.00 0.00 C ATOM 161 CG GLN A 34 4.081 0.864 12.987 1.00 0.00 C ATOM 162 CD GLN A 34 4.919 -0.137 13.764 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.771 -0.868 13.060 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 4.811 -0.247 14.986 1.00 0.00 N flip ATOM 0 H GLN A 34 1.375 0.794 12.000 1.00 0.00 H new ATOM 0 HA GLN A 34 3.389 2.366 10.808 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.262 -0.560 11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.728 0.218 11.056 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.604 1.819 12.948 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.143 1.035 13.515 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.143 0.334 15.493 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.389 -0.919 15.491 1.00 0.00 H new ATOM 173 N ALA A 35 3.653 1.686 8.455 1.00 0.00 N ATOM 174 CA ALA A 35 3.798 1.361 7.045 1.00 0.00 C ATOM 175 C ALA A 35 5.176 1.776 6.551 1.00 0.00 C ATOM 176 O ALA A 35 5.771 2.722 7.074 1.00 0.00 O ATOM 177 CB ALA A 35 2.707 2.041 6.226 1.00 0.00 C ATOM 0 H ALA A 35 4.142 2.534 8.741 1.00 0.00 H new ATOM 0 HA ALA A 35 3.695 0.283 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.831 1.787 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.730 1.701 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.779 3.122 6.349 1.00 0.00 H new ATOM 183 N ARG A 36 5.686 1.068 5.554 1.00 0.00 N ATOM 184 CA ARG A 36 7.000 1.351 5.015 1.00 0.00 C ATOM 185 C ARG A 36 6.996 1.206 3.501 1.00 0.00 C ATOM 186 O ARG A 36 6.190 0.469 2.934 1.00 0.00 O ATOM 187 CB ARG A 36 8.058 0.410 5.613 1.00 0.00 C ATOM 188 CG ARG A 36 7.958 -1.034 5.118 1.00 0.00 C ATOM 189 CD ARG A 36 9.119 -1.891 5.609 1.00 0.00 C ATOM 190 NE ARG A 36 9.121 -3.209 4.976 1.00 0.00 N ATOM 191 CZ ARG A 36 9.601 -4.313 5.540 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.180 -4.258 6.736 1.00 0.00 N ATOM 193 NH2 ARG A 36 9.514 -5.474 4.906 1.00 0.00 N ATOM 0 H ARG A 36 5.204 0.291 5.103 1.00 0.00 H new ATOM 0 HA ARG A 36 7.252 2.378 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.049 0.797 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.964 0.418 6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.018 -1.469 5.458 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.937 -1.042 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.061 -1.384 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.055 -2.007 6.691 1.00 0.00 H new ATOM 0 HE ARG A 36 8.727 -3.287 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.257 -3.366 7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.547 -5.108 7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.079 -5.521 3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.883 -6.321 5.339 1.00 0.00 H new ATOM 206 N LEU A 37 7.883 1.933 2.853 1.00 0.00 N ATOM 207 CA LEU A 37 8.133 1.744 1.438 1.00 0.00 C ATOM 208 C LEU A 37 9.417 0.956 1.273 1.00 0.00 C ATOM 209 O LEU A 37 10.368 1.151 2.037 1.00 0.00 O ATOM 210 CB LEU A 37 8.250 3.091 0.725 1.00 0.00 C ATOM 211 CG LEU A 37 6.981 3.948 0.733 1.00 0.00 C ATOM 212 CD1 LEU A 37 7.238 5.281 0.057 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.838 3.226 0.039 1.00 0.00 C ATOM 0 H LEU A 37 8.446 2.665 3.287 1.00 0.00 H new ATOM 0 HA LEU A 37 7.300 1.199 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.056 3.660 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.541 2.912 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 37 6.700 4.126 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.326 5.878 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.028 5.812 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.545 5.112 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.947 3.854 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.114 3.017 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.632 2.289 0.556 1.00 0.00 H new ATOM 225 N THR A 38 9.441 0.054 0.303 1.00 0.00 N ATOM 226 CA THR A 38 10.628 -0.745 0.035 1.00 0.00 C ATOM 227 C THR A 38 11.816 0.155 -0.274 1.00 0.00 C ATOM 228 O THR A 38 11.647 1.318 -0.644 1.00 0.00 O ATOM 229 CB THR A 38 10.405 -1.711 -1.146 1.00 0.00 C ATOM 230 OG1 THR A 38 9.933 -0.989 -2.292 1.00 0.00 O ATOM 231 CG2 THR A 38 9.410 -2.799 -0.777 1.00 0.00 C ATOM 0 H THR A 38 8.652 -0.143 -0.312 1.00 0.00 H new ATOM 0 HA THR A 38 10.833 -1.331 0.931 1.00 0.00 H new ATOM 0 HB THR A 38 11.359 -2.182 -1.384 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.668 -0.467 -2.675 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.270 -3.467 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.790 -3.367 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.455 -2.344 -0.512 1.00 0.00 H new ATOM 239 N ARG A 39 13.020 -0.382 -0.114 1.00 0.00 N ATOM 240 CA ARG A 39 14.238 0.390 -0.328 1.00 0.00 C ATOM 241 C ARG A 39 14.487 0.615 -1.821 1.00 0.00 C ATOM 242 O ARG A 39 15.542 0.259 -2.344 1.00 0.00 O ATOM 243 CB ARG A 39 15.443 -0.327 0.291 1.00 0.00 C ATOM 244 CG ARG A 39 15.265 -0.737 1.748 1.00 0.00 C ATOM 245 CD ARG A 39 15.030 0.454 2.667 1.00 0.00 C ATOM 246 NE ARG A 39 13.606 0.694 2.918 1.00 0.00 N ATOM 247 CZ ARG A 39 13.082 0.762 4.141 1.00 0.00 C ATOM 248 NH1 ARG A 39 13.854 0.581 5.198 1.00 0.00 N ATOM 249 NH2 ARG A 39 11.794 1.010 4.315 1.00 0.00 N ATOM 0 H ARG A 39 13.179 -1.351 0.164 1.00 0.00 H new ATOM 0 HA ARG A 39 14.109 1.358 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.660 -1.218 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.314 0.325 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.423 -1.424 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.151 -1.278 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.540 0.284 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.473 1.345 2.223 1.00 0.00 H new ATOM 0 HE ARG A 39 12.986 0.815 2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.849 0.390 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.455 0.633 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.188 1.152 3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.407 1.059 5.257 1.00 0.00 H new ATOM 262 N SER A 40 13.506 1.200 -2.495 1.00 0.00 N ATOM 263 CA SER A 40 13.601 1.476 -3.920 1.00 0.00 C ATOM 264 C SER A 40 14.594 2.609 -4.166 1.00 0.00 C ATOM 265 O SER A 40 15.545 2.464 -4.934 1.00 0.00 O ATOM 266 CB SER A 40 12.217 1.844 -4.469 1.00 0.00 C ATOM 267 OG SER A 40 11.254 0.860 -4.122 1.00 0.00 O ATOM 0 H SER A 40 12.626 1.495 -2.071 1.00 0.00 H new ATOM 0 HA SER A 40 13.957 0.585 -4.438 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.911 2.813 -4.074 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.267 1.943 -5.553 1.00 0.00 H new ATOM 0 HG SER A 40 10.482 0.932 -4.722 1.00 0.00 H new ATOM 273 N ASN A 41 14.384 3.726 -3.485 1.00 0.00 N ATOM 274 CA ASN A 41 15.265 4.878 -3.614 1.00 0.00 C ATOM 275 C ASN A 41 15.142 5.758 -2.379 1.00 0.00 C ATOM 276 O ASN A 41 16.098 5.938 -1.627 1.00 0.00 O ATOM 277 CB ASN A 41 14.911 5.686 -4.872 1.00 0.00 C ATOM 278 CG ASN A 41 15.917 6.786 -5.187 1.00 0.00 C ATOM 279 OD1 ASN A 41 16.603 7.303 -4.305 1.00 0.00 O ATOM 280 ND2 ASN A 41 15.999 7.164 -6.451 1.00 0.00 N ATOM 0 H ASN A 41 13.609 3.859 -2.836 1.00 0.00 H new ATOM 0 HA ASN A 41 16.293 4.527 -3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.846 5.009 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.925 6.132 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.646 7.905 -6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.416 6.714 -7.157 1.00 0.00 H new ATOM 287 N SER A 42 13.944 6.271 -2.161 1.00 0.00 N ATOM 288 CA SER A 42 13.687 7.190 -1.069 1.00 0.00 C ATOM 289 C SER A 42 12.450 6.744 -0.300 1.00 0.00 C ATOM 290 O SER A 42 11.639 5.972 -0.813 1.00 0.00 O ATOM 291 CB SER A 42 13.485 8.603 -1.632 1.00 0.00 C ATOM 292 OG SER A 42 13.204 9.545 -0.611 1.00 0.00 O ATOM 0 H SER A 42 13.126 6.063 -2.734 1.00 0.00 H new ATOM 0 HA SER A 42 14.537 7.196 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.381 8.910 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.666 8.593 -2.352 1.00 0.00 H new ATOM 0 HG SER A 42 13.480 10.438 -0.905 1.00 0.00 H new ATOM 298 N LYS A 43 12.310 7.236 0.924 1.00 0.00 N ATOM 299 CA LYS A 43 11.157 6.914 1.759 1.00 0.00 C ATOM 300 C LYS A 43 9.901 7.611 1.244 1.00 0.00 C ATOM 301 O LYS A 43 8.828 7.471 1.821 1.00 0.00 O ATOM 302 CB LYS A 43 11.407 7.320 3.214 1.00 0.00 C ATOM 303 CG LYS A 43 12.477 6.499 3.915 1.00 0.00 C ATOM 304 CD LYS A 43 12.097 5.028 3.991 1.00 0.00 C ATOM 305 CE LYS A 43 13.128 4.218 4.764 1.00 0.00 C ATOM 306 NZ LYS A 43 13.243 4.663 6.179 1.00 0.00 N ATOM 0 H LYS A 43 12.984 7.863 1.364 1.00 0.00 H new ATOM 0 HA LYS A 43 11.008 5.835 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.695 8.371 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.474 7.230 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.423 6.604 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.633 6.887 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.123 4.928 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.999 4.625 2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.854 3.163 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.099 4.308 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.767 3.950 6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.750 5.570 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.292 4.780 6.584 1.00 0.00 H new ATOM 319 N CYS A 44 10.048 8.369 0.166 1.00 0.00 N ATOM 320 CA CYS A 44 8.921 9.075 -0.425 1.00 0.00 C ATOM 321 C CYS A 44 8.388 8.358 -1.663 1.00 0.00 C ATOM 322 O CYS A 44 7.396 8.784 -2.246 1.00 0.00 O ATOM 323 CB CYS A 44 9.319 10.509 -0.787 1.00 0.00 C ATOM 324 SG CYS A 44 9.815 11.534 0.639 1.00 0.00 S ATOM 0 H CYS A 44 10.936 8.510 -0.316 1.00 0.00 H new ATOM 0 HA CYS A 44 8.125 9.096 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.143 10.476 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.481 10.990 -1.291 1.00 0.00 H new ATOM 329 N GLN A 45 9.033 7.268 -2.075 1.00 0.00 N ATOM 330 CA GLN A 45 8.571 6.531 -3.249 1.00 0.00 C ATOM 331 C GLN A 45 9.066 5.085 -3.241 1.00 0.00 C ATOM 332 O GLN A 45 10.251 4.820 -3.035 1.00 0.00 O ATOM 333 CB GLN A 45 9.015 7.227 -4.545 1.00 0.00 C ATOM 334 CG GLN A 45 10.522 7.362 -4.703 1.00 0.00 C ATOM 335 CD GLN A 45 10.919 7.880 -6.073 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.040 9.085 -6.286 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.127 6.970 -7.012 1.00 0.00 N ATOM 0 H GLN A 45 9.862 6.881 -1.623 1.00 0.00 H new ATOM 0 HA GLN A 45 7.482 6.518 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.622 6.670 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.568 8.220 -4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.905 8.037 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.990 6.392 -4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.016 5.979 -6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.398 7.260 -7.952 1.00 0.00 H new ATOM 346 N GLY A 46 8.149 4.152 -3.468 1.00 0.00 N ATOM 347 CA GLY A 46 8.517 2.750 -3.544 1.00 0.00 C ATOM 348 C GLY A 46 7.318 1.833 -3.392 1.00 0.00 C ATOM 349 O GLY A 46 6.174 2.263 -3.569 1.00 0.00 O ATOM 0 H GLY A 46 7.156 4.341 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.002 2.555 -4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.245 2.525 -2.765 1.00 0.00 H new ATOM 353 N GLN A 47 7.581 0.574 -3.068 1.00 0.00 N ATOM 354 CA GLN A 47 6.526 -0.423 -2.898 1.00 0.00 C ATOM 355 C GLN A 47 5.960 -0.334 -1.482 1.00 0.00 C ATOM 356 O GLN A 47 6.714 -0.173 -0.523 1.00 0.00 O ATOM 357 CB GLN A 47 7.098 -1.818 -3.172 1.00 0.00 C ATOM 358 CG GLN A 47 6.084 -2.947 -3.127 1.00 0.00 C ATOM 359 CD GLN A 47 6.740 -4.301 -3.329 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.148 -4.955 -2.373 1.00 0.00 O ATOM 361 NE2 GLN A 47 6.864 -4.723 -4.577 1.00 0.00 N ATOM 0 H GLN A 47 8.523 0.214 -2.916 1.00 0.00 H new ATOM 0 HA GLN A 47 5.717 -0.233 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.571 -1.814 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.881 -2.023 -2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.567 -2.933 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.330 -2.790 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.513 -4.152 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.311 -5.619 -4.770 1.00 0.00 H new ATOM 370 N LEU A 48 4.641 -0.433 -1.352 1.00 0.00 N ATOM 371 CA LEU A 48 3.985 -0.221 -0.067 1.00 0.00 C ATOM 372 C LEU A 48 3.875 -1.509 0.742 1.00 0.00 C ATOM 373 O LEU A 48 3.214 -2.469 0.333 1.00 0.00 O ATOM 374 CB LEU A 48 2.591 0.379 -0.274 1.00 0.00 C ATOM 375 CG LEU A 48 1.837 0.752 1.009 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.549 1.871 1.754 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.406 1.156 0.685 1.00 0.00 C ATOM 0 H LEU A 48 4.007 -0.658 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 48 4.605 0.475 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.687 1.272 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.987 -0.334 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 48 1.815 -0.125 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.994 2.116 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.555 1.547 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.609 2.752 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.116 1.418 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.413 2.016 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.106 0.324 0.202 1.00 0.00 H new ATOM 389 N GLU A 49 4.528 -1.507 1.891 1.00 0.00 N ATOM 390 CA GLU A 49 4.410 -2.584 2.859 1.00 0.00 C ATOM 391 C GLU A 49 3.786 -2.045 4.137 1.00 0.00 C ATOM 392 O GLU A 49 4.212 -1.012 4.653 1.00 0.00 O ATOM 393 CB GLU A 49 5.780 -3.193 3.167 1.00 0.00 C ATOM 394 CG GLU A 49 6.392 -3.950 2.003 1.00 0.00 C ATOM 395 CD GLU A 49 7.818 -4.375 2.289 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.697 -3.496 2.344 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.062 -5.582 2.488 1.00 0.00 O ATOM 0 H GLU A 49 5.156 -0.757 2.180 1.00 0.00 H new ATOM 0 HA GLU A 49 3.776 -3.365 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.461 -2.397 3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.684 -3.869 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.788 -4.831 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.373 -3.322 1.112 1.00 0.00 H new ATOM 404 N VAL A 50 2.774 -2.729 4.638 1.00 0.00 N ATOM 405 CA VAL A 50 2.086 -2.284 5.841 1.00 0.00 C ATOM 406 C VAL A 50 2.290 -3.275 6.977 1.00 0.00 C ATOM 407 O VAL A 50 2.500 -4.468 6.744 1.00 0.00 O ATOM 408 CB VAL A 50 0.572 -2.074 5.607 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.333 -1.000 4.553 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.112 -3.379 5.219 1.00 0.00 C ATOM 0 H VAL A 50 2.409 -3.592 4.234 1.00 0.00 H new ATOM 0 HA VAL A 50 2.522 -1.322 6.112 1.00 0.00 H new ATOM 0 HB VAL A 50 0.132 -1.735 6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.739 -0.868 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.771 -0.059 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.795 -1.303 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.175 -3.199 5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.331 -3.763 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.018 -4.109 6.018 1.00 0.00 H new ATOM 420 N TYR A 51 2.246 -2.772 8.200 1.00 0.00 N ATOM 421 CA TYR A 51 2.413 -3.608 9.373 1.00 0.00 C ATOM 422 C TYR A 51 1.057 -4.014 9.927 1.00 0.00 C ATOM 423 O TYR A 51 0.308 -3.186 10.444 1.00 0.00 O ATOM 424 CB TYR A 51 3.226 -2.869 10.441 1.00 0.00 C ATOM 425 CG TYR A 51 3.386 -3.638 11.736 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.331 -4.654 11.857 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.593 -3.344 12.841 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.476 -5.354 13.040 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.734 -4.040 14.023 1.00 0.00 C ATOM 430 CZ TYR A 51 3.676 -5.040 14.119 1.00 0.00 C ATOM 431 OH TYR A 51 3.813 -5.736 15.298 1.00 0.00 O ATOM 0 H TYR A 51 2.095 -1.784 8.404 1.00 0.00 H new ATOM 0 HA TYR A 51 2.955 -4.509 9.086 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.214 -2.644 10.040 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.744 -1.915 10.654 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.960 -4.899 11.014 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.855 -2.558 12.772 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.211 -6.142 13.119 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.108 -3.802 14.870 1.00 0.00 H new ATOM 0 HH TYR A 51 3.176 -5.390 15.958 1.00 0.00 H new ATOM 441 N LEU A 52 0.740 -5.291 9.794 1.00 0.00 N ATOM 442 CA LEU A 52 -0.479 -5.831 10.367 1.00 0.00 C ATOM 443 C LEU A 52 -0.188 -6.312 11.781 1.00 0.00 C ATOM 444 O LEU A 52 0.956 -6.234 12.229 1.00 0.00 O ATOM 445 CB LEU A 52 -1.020 -6.984 9.516 1.00 0.00 C ATOM 446 CG LEU A 52 -1.310 -6.646 8.051 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.754 -7.891 7.303 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.369 -5.557 7.944 1.00 0.00 C ATOM 0 H LEU A 52 1.311 -5.972 9.294 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.239 -5.050 10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.301 -7.802 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.939 -7.350 9.974 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.392 -6.272 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.957 -7.637 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.965 -8.642 7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.659 -8.288 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.557 -5.335 6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.291 -5.899 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.017 -4.657 8.448 1.00 0.00 H new ATOM 460 N LYS A 53 -1.196 -6.820 12.475 1.00 0.00 N ATOM 461 CA LYS A 53 -1.010 -7.268 13.852 1.00 0.00 C ATOM 462 C LYS A 53 0.029 -8.383 13.925 1.00 0.00 C ATOM 463 O LYS A 53 0.838 -8.436 14.853 1.00 0.00 O ATOM 464 CB LYS A 53 -2.333 -7.751 14.450 1.00 0.00 C ATOM 465 CG LYS A 53 -3.373 -6.654 14.602 1.00 0.00 C ATOM 466 CD LYS A 53 -4.680 -7.205 15.144 1.00 0.00 C ATOM 467 CE LYS A 53 -5.691 -6.102 15.405 1.00 0.00 C ATOM 468 NZ LYS A 53 -6.973 -6.640 15.937 1.00 0.00 N ATOM 0 H LYS A 53 -2.143 -6.933 12.114 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.652 -6.417 14.432 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.740 -8.540 13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.139 -8.193 15.427 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.995 -5.882 15.273 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.548 -6.180 13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.096 -7.919 14.433 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.489 -7.750 16.069 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.274 -5.388 16.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.881 -5.558 14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.636 -5.856 16.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.384 -7.302 15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.796 -7.138 16.833 1.00 0.00 H new ATOM 481 N ASP A 54 0.012 -9.259 12.932 1.00 0.00 N ATOM 482 CA ASP A 54 0.938 -10.381 12.901 1.00 0.00 C ATOM 483 C ASP A 54 2.301 -9.975 12.333 1.00 0.00 C ATOM 484 O ASP A 54 3.330 -10.439 12.823 1.00 0.00 O ATOM 485 CB ASP A 54 0.350 -11.559 12.116 1.00 0.00 C ATOM 486 CG ASP A 54 0.061 -11.230 10.668 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.018 -10.664 10.384 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.899 -11.553 9.809 1.00 0.00 O ATOM 0 H ASP A 54 -0.630 -9.215 12.140 1.00 0.00 H new ATOM 0 HA ASP A 54 1.093 -10.701 13.931 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.045 -12.398 12.159 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.572 -11.884 12.598 1.00 0.00 H new ATOM 493 N GLY A 55 2.326 -9.102 11.327 1.00 0.00 N ATOM 494 CA GLY A 55 3.601 -8.689 10.767 1.00 0.00 C ATOM 495 C GLY A 55 3.475 -7.864 9.497 1.00 0.00 C ATOM 496 O GLY A 55 2.368 -7.517 9.072 1.00 0.00 O ATOM 0 H GLY A 55 1.502 -8.681 10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.144 -8.109 11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.199 -9.576 10.555 1.00 0.00 H new ATOM 500 N TRP A 56 4.623 -7.569 8.891 1.00 0.00 N ATOM 501 CA TRP A 56 4.691 -6.732 7.696 1.00 0.00 C ATOM 502 C TRP A 56 4.226 -7.499 6.465 1.00 0.00 C ATOM 503 O TRP A 56 4.543 -8.678 6.300 1.00 0.00 O ATOM 504 CB TRP A 56 6.124 -6.230 7.474 1.00 0.00 C ATOM 505 CG TRP A 56 6.599 -5.257 8.517 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.316 -5.542 9.645 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.402 -3.837 8.517 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.571 -4.389 10.346 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.020 -3.329 9.676 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.760 -2.946 7.654 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.015 -1.973 9.989 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.757 -1.602 7.967 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.380 -1.126 9.125 1.00 0.00 C ATOM 0 H TRP A 56 5.531 -7.903 9.214 1.00 0.00 H new ATOM 0 HA TRP A 56 4.029 -5.880 7.849 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.799 -7.086 7.456 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.184 -5.755 6.495 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.636 -6.530 9.942 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.087 -4.331 11.224 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.275 -3.303 6.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.496 -1.603 10.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.264 -0.905 7.305 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.359 -0.068 9.341 1.00 0.00 H new ATOM 524 N HIS A 57 3.476 -6.827 5.604 1.00 0.00 N ATOM 525 CA HIS A 57 2.957 -7.449 4.395 1.00 0.00 C ATOM 526 C HIS A 57 2.879 -6.453 3.242 1.00 0.00 C ATOM 527 O HIS A 57 2.645 -5.262 3.446 1.00 0.00 O ATOM 528 CB HIS A 57 1.574 -8.047 4.654 1.00 0.00 C ATOM 529 CG HIS A 57 1.611 -9.388 5.318 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.866 -10.615 4.808 1.00 0.00 N flip ATOM 531 CD2 HIS A 57 1.358 -9.578 6.659 1.00 0.00 C flip ATOM 532 CE1 HIS A 57 1.763 -11.513 5.837 1.00 0.00 C flip ATOM 533 NE2 HIS A 57 1.454 -10.862 6.944 1.00 0.00 N flip ATOM 0 H HIS A 57 3.213 -5.848 5.721 1.00 0.00 H new ATOM 0 HA HIS A 57 3.648 -8.244 4.113 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.002 -7.359 5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.043 -8.136 3.706 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.119 -8.798 7.366 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.910 -12.580 5.756 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.313 -11.281 7.863 1.00 0.00 H new ATOM 541 N MET A 58 3.069 -6.969 2.034 1.00 0.00 N ATOM 542 CA MET A 58 3.012 -6.175 0.813 1.00 0.00 C ATOM 543 C MET A 58 1.569 -6.024 0.357 1.00 0.00 C ATOM 544 O MET A 58 0.843 -7.014 0.260 1.00 0.00 O ATOM 545 CB MET A 58 3.810 -6.868 -0.295 1.00 0.00 C ATOM 546 CG MET A 58 5.278 -7.089 0.033 1.00 0.00 C ATOM 547 SD MET A 58 6.042 -8.340 -1.024 1.00 0.00 S ATOM 548 CE MET A 58 5.512 -7.788 -2.645 1.00 0.00 C ATOM 0 H MET A 58 3.268 -7.956 1.873 1.00 0.00 H new ATOM 0 HA MET A 58 3.437 -5.192 1.016 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.349 -7.832 -0.509 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.739 -6.271 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.817 -6.148 -0.076 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.372 -7.392 1.076 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.299 -7.987 -3.372 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.608 -8.323 -2.934 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.307 -6.718 -2.616 1.00 0.00 H new ATOM 558 N VAL A 59 1.153 -4.801 0.068 1.00 0.00 N ATOM 559 CA VAL A 59 -0.211 -4.557 -0.383 1.00 0.00 C ATOM 560 C VAL A 59 -0.303 -4.644 -1.902 1.00 0.00 C ATOM 561 O VAL A 59 0.397 -3.926 -2.619 1.00 0.00 O ATOM 562 CB VAL A 59 -0.735 -3.177 0.078 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.166 -2.951 -0.401 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.662 -3.051 1.591 1.00 0.00 C ATOM 0 H VAL A 59 1.735 -3.966 0.136 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.833 -5.331 0.068 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.098 -2.412 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.512 -1.974 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.196 -2.991 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.814 -3.726 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.036 -2.073 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.271 -3.830 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.373 -3.160 1.916 1.00 0.00 H new ATOM 574 N CYS A 60 -1.152 -5.534 -2.388 1.00 0.00 N ATOM 575 CA CYS A 60 -1.417 -5.626 -3.814 1.00 0.00 C ATOM 576 C CYS A 60 -2.431 -4.551 -4.213 1.00 0.00 C ATOM 577 O CYS A 60 -3.419 -4.334 -3.505 1.00 0.00 O ATOM 578 CB CYS A 60 -1.950 -7.021 -4.174 1.00 0.00 C ATOM 579 SG CYS A 60 -0.868 -8.409 -3.678 1.00 0.00 S ATOM 0 H CYS A 60 -1.669 -6.202 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.488 -5.466 -4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.925 -7.154 -3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.106 -7.068 -5.252 1.00 0.00 H new ATOM 584 N SER A 61 -2.189 -3.889 -5.343 1.00 0.00 N ATOM 585 CA SER A 61 -3.057 -2.821 -5.834 1.00 0.00 C ATOM 586 C SER A 61 -4.332 -3.392 -6.459 1.00 0.00 C ATOM 587 O SER A 61 -4.794 -2.935 -7.506 1.00 0.00 O ATOM 588 CB SER A 61 -2.291 -1.975 -6.855 1.00 0.00 C ATOM 589 OG SER A 61 -1.725 -2.787 -7.871 1.00 0.00 O ATOM 0 H SER A 61 -1.386 -4.078 -5.943 1.00 0.00 H new ATOM 0 HA SER A 61 -3.354 -2.194 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.963 -1.243 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.503 -1.417 -6.350 1.00 0.00 H new ATOM 0 HG SER A 61 -2.426 -3.061 -8.499 1.00 0.00 H new ATOM 595 N GLN A 62 -4.880 -4.405 -5.814 1.00 0.00 N ATOM 596 CA GLN A 62 -6.093 -5.055 -6.271 1.00 0.00 C ATOM 597 C GLN A 62 -6.953 -5.420 -5.064 1.00 0.00 C ATOM 598 O GLN A 62 -7.608 -6.458 -5.028 1.00 0.00 O ATOM 599 CB GLN A 62 -5.733 -6.285 -7.110 1.00 0.00 C ATOM 600 CG GLN A 62 -4.839 -7.278 -6.386 1.00 0.00 C ATOM 601 CD GLN A 62 -4.105 -8.213 -7.331 1.00 0.00 C ATOM 602 OE1 GLN A 62 -3.756 -7.842 -8.455 1.00 0.00 O ATOM 603 NE2 GLN A 62 -3.863 -9.434 -6.881 1.00 0.00 N ATOM 0 H GLN A 62 -4.495 -4.801 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.670 -4.381 -6.905 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.651 -6.789 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.234 -5.958 -8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.111 -6.733 -5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.444 -7.868 -5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.168 -9.702 -5.945 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.372 -10.106 -7.470 1.00 0.00 H new ATOM 612 N SER A 63 -6.934 -4.538 -4.073 1.00 0.00 N ATOM 613 CA SER A 63 -7.660 -4.749 -2.834 1.00 0.00 C ATOM 614 C SER A 63 -8.939 -3.918 -2.813 1.00 0.00 C ATOM 615 O SER A 63 -9.068 -2.957 -3.571 1.00 0.00 O ATOM 616 CB SER A 63 -6.774 -4.373 -1.641 1.00 0.00 C ATOM 617 OG SER A 63 -5.651 -5.232 -1.548 1.00 0.00 O ATOM 0 H SER A 63 -6.416 -3.660 -4.108 1.00 0.00 H new ATOM 0 HA SER A 63 -7.930 -5.803 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.439 -3.341 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.355 -4.429 -0.721 1.00 0.00 H new ATOM 0 HG SER A 63 -4.965 -4.943 -2.185 1.00 0.00 H new ATOM 623 N TRP A 64 -9.878 -4.301 -1.949 1.00 0.00 N ATOM 624 CA TRP A 64 -11.140 -3.581 -1.771 1.00 0.00 C ATOM 625 C TRP A 64 -11.953 -3.543 -3.063 1.00 0.00 C ATOM 626 O TRP A 64 -12.832 -2.698 -3.226 1.00 0.00 O ATOM 627 CB TRP A 64 -10.883 -2.152 -1.279 1.00 0.00 C ATOM 628 CG TRP A 64 -10.012 -2.082 -0.062 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.300 -2.549 1.188 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.709 -1.496 0.020 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.253 -2.292 2.039 1.00 0.00 N ATOM 632 CE2 TRP A 64 -8.266 -1.648 1.346 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.871 -0.862 -0.900 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -7.027 -1.189 1.774 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.640 -0.404 -0.472 1.00 0.00 C ATOM 636 CH2 TRP A 64 -6.229 -0.573 0.854 1.00 0.00 C ATOM 0 H TRP A 64 -9.785 -5.122 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.717 -4.121 -1.020 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.418 -1.579 -2.081 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.838 -1.675 -1.059 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.217 -3.047 1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.218 -2.541 3.027 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.180 -0.732 -1.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.707 -1.315 2.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.985 0.092 -1.172 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.259 -0.208 1.157 1.00 0.00 H new ATOM 647 N GLY A 65 -11.660 -4.467 -3.971 1.00 0.00 N ATOM 648 CA GLY A 65 -12.346 -4.497 -5.248 1.00 0.00 C ATOM 649 C GLY A 65 -11.868 -3.401 -6.184 1.00 0.00 C ATOM 650 O GLY A 65 -12.520 -3.099 -7.183 1.00 0.00 O ATOM 0 H GLY A 65 -10.959 -5.197 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.190 -5.468 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.418 -4.390 -5.085 1.00 0.00 H new ATOM 654 N ARG A 66 -10.731 -2.802 -5.862 1.00 0.00 N ATOM 655 CA ARG A 66 -10.173 -1.739 -6.677 1.00 0.00 C ATOM 656 C ARG A 66 -9.132 -2.294 -7.635 1.00 0.00 C ATOM 657 O ARG A 66 -8.269 -3.079 -7.247 1.00 0.00 O ATOM 658 CB ARG A 66 -9.554 -0.657 -5.792 1.00 0.00 C ATOM 659 CG ARG A 66 -10.571 0.082 -4.935 1.00 0.00 C ATOM 660 CD ARG A 66 -11.519 0.913 -5.788 1.00 0.00 C ATOM 661 NE ARG A 66 -12.550 1.567 -4.987 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.953 2.818 -5.186 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.367 3.562 -6.115 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.942 3.329 -4.475 1.00 0.00 N ATOM 0 H ARG A 66 -10.177 -3.037 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.979 -1.293 -7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.807 -1.113 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.031 0.062 -6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.143 -0.636 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.051 0.730 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.950 1.667 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.991 0.272 -6.533 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.985 1.035 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.608 3.174 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.675 4.522 -6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.405 2.762 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.243 4.290 -4.637 1.00 0.00 H new ATOM 677 N SER A 67 -9.236 -1.888 -8.884 1.00 0.00 N ATOM 678 CA SER A 67 -8.326 -2.334 -9.920 1.00 0.00 C ATOM 679 C SER A 67 -7.006 -1.566 -9.857 1.00 0.00 C ATOM 680 O SER A 67 -6.930 -0.485 -9.267 1.00 0.00 O ATOM 681 CB SER A 67 -8.995 -2.142 -11.277 1.00 0.00 C ATOM 682 OG SER A 67 -9.682 -0.902 -11.328 1.00 0.00 O ATOM 0 H SER A 67 -9.953 -1.240 -9.210 1.00 0.00 H new ATOM 0 HA SER A 67 -8.097 -3.389 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.244 -2.180 -12.066 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.694 -2.958 -11.462 1.00 0.00 H new ATOM 0 HG SER A 67 -10.103 -0.797 -12.207 1.00 0.00 H new ATOM 688 N SER A 68 -5.967 -2.134 -10.460 1.00 0.00 N ATOM 689 CA SER A 68 -4.647 -1.519 -10.470 1.00 0.00 C ATOM 690 C SER A 68 -4.574 -0.385 -11.495 1.00 0.00 C ATOM 691 O SER A 68 -3.880 -0.485 -12.506 1.00 0.00 O ATOM 692 CB SER A 68 -3.589 -2.579 -10.772 1.00 0.00 C ATOM 693 OG SER A 68 -3.643 -3.631 -9.822 1.00 0.00 O ATOM 0 H SER A 68 -6.016 -3.026 -10.952 1.00 0.00 H new ATOM 0 HA SER A 68 -4.457 -1.090 -9.486 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.745 -2.979 -11.774 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.599 -2.124 -10.761 1.00 0.00 H new ATOM 0 HG SER A 68 -4.307 -3.416 -9.134 1.00 0.00 H new ATOM 699 N LYS A 69 -5.305 0.682 -11.219 1.00 0.00 N ATOM 700 CA LYS A 69 -5.320 1.861 -12.069 1.00 0.00 C ATOM 701 C LYS A 69 -5.323 3.092 -11.171 1.00 0.00 C ATOM 702 O LYS A 69 -6.053 3.133 -10.181 1.00 0.00 O ATOM 703 CB LYS A 69 -6.564 1.833 -12.978 1.00 0.00 C ATOM 704 CG LYS A 69 -6.492 2.738 -14.210 1.00 0.00 C ATOM 705 CD LYS A 69 -6.758 4.204 -13.883 1.00 0.00 C ATOM 706 CE LYS A 69 -8.153 4.416 -13.312 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.424 5.853 -13.030 1.00 0.00 N ATOM 0 H LYS A 69 -5.906 0.755 -10.398 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.440 1.885 -12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.729 0.808 -13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.433 2.120 -12.386 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.506 2.645 -14.666 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.218 2.398 -14.948 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.016 4.556 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.640 4.804 -14.785 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.895 4.038 -14.015 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.261 3.839 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.197 5.931 -12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.567 6.298 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.697 6.334 -13.911 1.00 0.00 H new ATOM 720 N GLN A 70 -4.504 4.080 -11.502 1.00 0.00 N ATOM 721 CA GLN A 70 -4.383 5.267 -10.670 1.00 0.00 C ATOM 722 C GLN A 70 -5.631 6.134 -10.802 1.00 0.00 C ATOM 723 O GLN A 70 -5.945 6.632 -11.885 1.00 0.00 O ATOM 724 CB GLN A 70 -3.129 6.061 -11.050 1.00 0.00 C ATOM 725 CG GLN A 70 -2.890 7.290 -10.183 1.00 0.00 C ATOM 726 CD GLN A 70 -1.548 7.939 -10.461 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.590 7.270 -10.837 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.464 9.246 -10.274 1.00 0.00 N ATOM 0 H GLN A 70 -3.917 4.083 -12.336 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.288 4.956 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.261 5.405 -10.981 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.210 6.373 -12.091 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.685 8.015 -10.358 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.943 7.006 -9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.281 9.770 -9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.582 9.730 -10.443 1.00 0.00 H new ATOM 737 N TRP A 71 -6.354 6.285 -9.705 1.00 0.00 N ATOM 738 CA TRP A 71 -7.575 7.078 -9.691 1.00 0.00 C ATOM 739 C TRP A 71 -7.272 8.536 -9.381 1.00 0.00 C ATOM 740 O TRP A 71 -6.125 8.906 -9.129 1.00 0.00 O ATOM 741 CB TRP A 71 -8.559 6.521 -8.661 1.00 0.00 C ATOM 742 CG TRP A 71 -9.362 5.362 -9.168 1.00 0.00 C ATOM 743 CD1 TRP A 71 -8.960 4.063 -9.287 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.716 5.407 -9.629 1.00 0.00 C ATOM 745 NE1 TRP A 71 -9.982 3.297 -9.796 1.00 0.00 N ATOM 746 CE2 TRP A 71 -11.074 4.100 -10.009 1.00 0.00 C ATOM 747 CE3 TRP A 71 -11.662 6.426 -9.752 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -12.339 3.790 -10.506 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -12.915 6.118 -10.243 1.00 0.00 C ATOM 750 CH2 TRP A 71 -13.244 4.810 -10.614 1.00 0.00 C ATOM 0 H TRP A 71 -6.116 5.866 -8.806 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.026 7.021 -10.682 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.007 6.210 -7.774 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.238 7.316 -8.352 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.982 3.691 -9.020 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.936 2.296 -9.984 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -11.418 7.439 -9.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.595 2.781 -10.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -13.653 6.900 -10.342 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -14.233 4.601 -10.994 1.00 0.00 H new ATOM 761 N GLU A 72 -8.319 9.352 -9.377 1.00 0.00 N ATOM 762 CA GLU A 72 -8.189 10.787 -9.141 1.00 0.00 C ATOM 763 C GLU A 72 -8.226 11.081 -7.646 1.00 0.00 C ATOM 764 O GLU A 72 -8.695 12.136 -7.216 1.00 0.00 O ATOM 765 CB GLU A 72 -9.322 11.541 -9.845 1.00 0.00 C ATOM 766 CG GLU A 72 -9.354 11.338 -11.349 1.00 0.00 C ATOM 767 CD GLU A 72 -8.108 11.860 -12.026 1.00 0.00 C ATOM 768 OE1 GLU A 72 -8.076 13.058 -12.373 1.00 0.00 O ATOM 769 OE2 GLU A 72 -7.156 11.075 -12.218 1.00 0.00 O ATOM 0 H GLU A 72 -9.277 9.041 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.233 11.121 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.275 11.220 -9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.223 12.606 -9.634 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.465 10.276 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.228 11.842 -11.763 1.00 0.00 H new ATOM 776 N ASP A 73 -7.730 10.138 -6.861 1.00 0.00 N ATOM 777 CA ASP A 73 -7.766 10.250 -5.413 1.00 0.00 C ATOM 778 C ASP A 73 -6.655 9.413 -4.790 1.00 0.00 C ATOM 779 O ASP A 73 -6.844 8.230 -4.513 1.00 0.00 O ATOM 780 CB ASP A 73 -9.122 9.787 -4.879 1.00 0.00 C ATOM 781 CG ASP A 73 -9.322 10.125 -3.414 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.801 9.389 -2.551 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.024 11.117 -3.125 1.00 0.00 O ATOM 0 H ASP A 73 -7.295 9.282 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.616 11.296 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.916 10.249 -5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.212 8.709 -5.014 1.00 0.00 H new ATOM 788 N PRO A 74 -5.457 9.991 -4.636 1.00 0.00 N ATOM 789 CA PRO A 74 -4.366 9.370 -3.907 1.00 0.00 C ATOM 790 C PRO A 74 -4.203 9.954 -2.501 1.00 0.00 C ATOM 791 O PRO A 74 -3.329 9.546 -1.739 1.00 0.00 O ATOM 792 CB PRO A 74 -3.171 9.742 -4.783 1.00 0.00 C ATOM 793 CG PRO A 74 -3.522 11.074 -5.382 1.00 0.00 C ATOM 794 CD PRO A 74 -5.022 11.261 -5.232 1.00 0.00 C ATOM 0 HA PRO A 74 -4.505 8.301 -3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.255 9.804 -4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.002 8.994 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.983 11.876 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.234 11.110 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.260 12.110 -4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.504 11.442 -6.193 1.00 0.00 H new ATOM 802 N SER A 75 -5.075 10.894 -2.158 1.00 0.00 N ATOM 803 CA SER A 75 -4.907 11.713 -0.970 1.00 0.00 C ATOM 804 C SER A 75 -5.367 11.024 0.316 1.00 0.00 C ATOM 805 O SER A 75 -5.104 11.527 1.409 1.00 0.00 O ATOM 806 CB SER A 75 -5.650 13.031 -1.168 1.00 0.00 C ATOM 807 OG SER A 75 -6.929 12.804 -1.734 1.00 0.00 O ATOM 0 H SER A 75 -5.915 11.108 -2.695 1.00 0.00 H new ATOM 0 HA SER A 75 -3.839 11.891 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.756 13.542 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.070 13.687 -1.817 1.00 0.00 H new ATOM 0 HG SER A 75 -7.391 13.660 -1.852 1.00 0.00 H new ATOM 813 N GLN A 76 -6.031 9.877 0.206 1.00 0.00 N ATOM 814 CA GLN A 76 -6.457 9.145 1.395 1.00 0.00 C ATOM 815 C GLN A 76 -5.239 8.580 2.112 1.00 0.00 C ATOM 816 O GLN A 76 -5.257 8.358 3.321 1.00 0.00 O ATOM 817 CB GLN A 76 -7.416 8.007 1.035 1.00 0.00 C ATOM 818 CG GLN A 76 -8.686 8.466 0.334 1.00 0.00 C ATOM 819 CD GLN A 76 -9.575 9.326 1.206 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.622 9.163 2.426 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.290 10.250 0.586 1.00 0.00 N ATOM 0 H GLN A 76 -6.283 9.439 -0.680 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.984 9.839 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.895 7.296 0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.688 7.474 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.416 9.026 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.248 7.591 0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.222 10.353 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.909 10.860 1.120 1.00 0.00 H new ATOM 830 N ALA A 77 -4.165 8.385 1.356 1.00 0.00 N ATOM 831 CA ALA A 77 -2.942 7.809 1.893 1.00 0.00 C ATOM 832 C ALA A 77 -1.953 8.898 2.296 1.00 0.00 C ATOM 833 O ALA A 77 -0.765 8.636 2.485 1.00 0.00 O ATOM 834 CB ALA A 77 -2.316 6.873 0.871 1.00 0.00 C ATOM 0 H ALA A 77 -4.118 8.619 0.364 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.194 7.240 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.401 6.446 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.016 6.072 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.082 7.429 -0.037 1.00 0.00 H new ATOM 840 N SER A 78 -2.457 10.119 2.433 1.00 0.00 N ATOM 841 CA SER A 78 -1.639 11.259 2.833 1.00 0.00 C ATOM 842 C SER A 78 -0.952 11.006 4.174 1.00 0.00 C ATOM 843 O SER A 78 0.191 11.417 4.385 1.00 0.00 O ATOM 844 CB SER A 78 -2.516 12.507 2.917 1.00 0.00 C ATOM 845 OG SER A 78 -3.729 12.226 3.599 1.00 0.00 O ATOM 0 H SER A 78 -3.438 10.346 2.271 1.00 0.00 H new ATOM 0 HA SER A 78 -0.860 11.407 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.978 13.301 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.734 12.872 1.913 1.00 0.00 H new ATOM 0 HG SER A 78 -4.408 11.938 2.954 1.00 0.00 H new ATOM 851 N LYS A 79 -1.655 10.314 5.064 1.00 0.00 N ATOM 852 CA LYS A 79 -1.140 10.011 6.394 1.00 0.00 C ATOM 853 C LYS A 79 0.102 9.127 6.317 1.00 0.00 C ATOM 854 O LYS A 79 1.023 9.264 7.123 1.00 0.00 O ATOM 855 CB LYS A 79 -2.225 9.336 7.231 1.00 0.00 C ATOM 856 CG LYS A 79 -3.492 10.168 7.366 1.00 0.00 C ATOM 857 CD LYS A 79 -3.217 11.497 8.051 1.00 0.00 C ATOM 858 CE LYS A 79 -4.480 12.338 8.175 1.00 0.00 C ATOM 859 NZ LYS A 79 -5.010 12.759 6.850 1.00 0.00 N ATOM 0 H LYS A 79 -2.591 9.950 4.886 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.852 10.948 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.476 8.376 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.829 9.127 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.917 10.348 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.235 9.611 7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.801 11.316 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.466 12.049 7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.243 11.768 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.268 13.222 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.252 13.770 6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.288 12.596 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.861 12.205 6.625 1.00 0.00 H new ATOM 872 N VAL A 80 0.135 8.241 5.328 1.00 0.00 N ATOM 873 CA VAL A 80 1.282 7.363 5.129 1.00 0.00 C ATOM 874 C VAL A 80 2.524 8.188 4.813 1.00 0.00 C ATOM 875 O VAL A 80 3.580 7.993 5.415 1.00 0.00 O ATOM 876 CB VAL A 80 1.032 6.340 3.994 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.289 5.529 3.700 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.122 5.414 4.350 1.00 0.00 C ATOM 0 H VAL A 80 -0.618 8.112 4.652 1.00 0.00 H new ATOM 0 HA VAL A 80 1.435 6.807 6.054 1.00 0.00 H new ATOM 0 HB VAL A 80 0.768 6.897 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.085 4.819 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.092 6.200 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.591 4.988 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.281 4.703 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.115 4.873 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.027 6.002 4.500 1.00 0.00 H new ATOM 888 N CYS A 81 2.377 9.134 3.891 1.00 0.00 N ATOM 889 CA CYS A 81 3.476 10.019 3.523 1.00 0.00 C ATOM 890 C CYS A 81 3.939 10.832 4.728 1.00 0.00 C ATOM 891 O CYS A 81 5.123 11.135 4.865 1.00 0.00 O ATOM 892 CB CYS A 81 3.055 10.955 2.387 1.00 0.00 C ATOM 893 SG CYS A 81 2.466 10.099 0.888 1.00 0.00 S ATOM 0 H CYS A 81 1.508 9.307 3.385 1.00 0.00 H new ATOM 0 HA CYS A 81 4.307 9.403 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.266 11.614 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.902 11.588 2.121 1.00 0.00 H new ATOM 898 N GLN A 82 3.002 11.166 5.612 1.00 0.00 N ATOM 899 CA GLN A 82 3.327 11.924 6.815 1.00 0.00 C ATOM 900 C GLN A 82 4.276 11.139 7.717 1.00 0.00 C ATOM 901 O GLN A 82 5.293 11.671 8.165 1.00 0.00 O ATOM 902 CB GLN A 82 2.062 12.301 7.590 1.00 0.00 C ATOM 903 CG GLN A 82 1.117 13.211 6.819 1.00 0.00 C ATOM 904 CD GLN A 82 1.787 14.484 6.338 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.723 14.988 6.961 1.00 0.00 O ATOM 906 NE2 GLN A 82 1.312 15.013 5.221 1.00 0.00 N ATOM 0 H GLN A 82 2.016 10.924 5.518 1.00 0.00 H new ATOM 0 HA GLN A 82 3.825 12.841 6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.530 11.390 7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.350 12.794 8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.718 12.670 5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.270 13.470 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.535 14.565 4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.723 15.868 4.847 1.00 0.00 H new ATOM 915 N ARG A 83 3.960 9.868 7.970 1.00 0.00 N ATOM 916 CA ARG A 83 4.814 9.031 8.820 1.00 0.00 C ATOM 917 C ARG A 83 6.135 8.695 8.135 1.00 0.00 C ATOM 918 O ARG A 83 7.112 8.346 8.797 1.00 0.00 O ATOM 919 CB ARG A 83 4.113 7.739 9.252 1.00 0.00 C ATOM 920 CG ARG A 83 3.160 7.931 10.419 1.00 0.00 C ATOM 921 CD ARG A 83 1.719 8.053 9.964 1.00 0.00 C ATOM 922 NE ARG A 83 1.205 6.781 9.455 1.00 0.00 N ATOM 923 CZ ARG A 83 -0.087 6.523 9.288 1.00 0.00 C ATOM 924 NH1 ARG A 83 -0.993 7.432 9.606 1.00 0.00 N ATOM 925 NH2 ARG A 83 -0.483 5.348 8.823 1.00 0.00 N ATOM 0 H ARG A 83 3.131 9.399 7.605 1.00 0.00 H new ATOM 0 HA ARG A 83 5.022 9.621 9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.561 7.333 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.866 7.000 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.253 7.089 11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.442 8.826 10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.101 8.389 10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.646 8.813 9.186 1.00 0.00 H new ATOM 0 HE ARG A 83 1.877 6.052 9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.700 8.334 9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.985 7.231 9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.206 4.633 8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.477 5.158 8.698 1.00 0.00 H new ATOM 938 N LEU A 84 6.166 8.802 6.814 1.00 0.00 N ATOM 939 CA LEU A 84 7.391 8.569 6.062 1.00 0.00 C ATOM 940 C LEU A 84 8.197 9.858 5.926 1.00 0.00 C ATOM 941 O LEU A 84 9.252 9.877 5.294 1.00 0.00 O ATOM 942 CB LEU A 84 7.069 8.000 4.678 1.00 0.00 C ATOM 943 CG LEU A 84 6.406 6.622 4.687 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.955 6.235 3.289 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.362 5.572 5.231 1.00 0.00 C ATOM 0 H LEU A 84 5.358 9.048 6.242 1.00 0.00 H new ATOM 0 HA LEU A 84 7.992 7.843 6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.414 8.699 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.993 7.939 4.102 1.00 0.00 H new ATOM 0 HG LEU A 84 5.532 6.672 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.486 5.251 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.237 6.969 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.818 6.207 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.872 4.598 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.253 5.531 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.647 5.833 6.250 1.00 0.00 H new ATOM 957 N ASN A 85 7.675 10.928 6.535 1.00 0.00 N ATOM 958 CA ASN A 85 8.312 12.248 6.534 1.00 0.00 C ATOM 959 C ASN A 85 8.406 12.800 5.111 1.00 0.00 C ATOM 960 O ASN A 85 9.455 13.262 4.671 1.00 0.00 O ATOM 961 CB ASN A 85 9.699 12.190 7.196 1.00 0.00 C ATOM 962 CG ASN A 85 10.190 13.554 7.662 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.896 13.983 8.776 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.953 14.238 6.826 1.00 0.00 N ATOM 0 H ASN A 85 6.793 10.902 7.046 1.00 0.00 H new ATOM 0 HA ASN A 85 7.691 12.926 7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.661 11.512 8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.416 11.773 6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.317 15.151 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.178 13.852 5.909 1.00 0.00 H new ATOM 971 N CYS A 86 7.299 12.731 4.393 1.00 0.00 N ATOM 972 CA CYS A 86 7.228 13.257 3.041 1.00 0.00 C ATOM 973 C CYS A 86 6.008 14.163 2.902 1.00 0.00 C ATOM 974 O CYS A 86 5.245 14.326 3.855 1.00 0.00 O ATOM 975 CB CYS A 86 7.165 12.108 2.031 1.00 0.00 C ATOM 976 SG CYS A 86 8.569 10.946 2.131 1.00 0.00 S ATOM 0 H CYS A 86 6.431 12.313 4.727 1.00 0.00 H new ATOM 0 HA CYS A 86 8.124 13.844 2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.238 11.555 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.124 12.525 1.025 1.00 0.00 H new ATOM 981 N GLY A 87 5.825 14.752 1.730 1.00 0.00 N ATOM 982 CA GLY A 87 4.708 15.652 1.519 1.00 0.00 C ATOM 983 C GLY A 87 3.462 14.942 1.025 1.00 0.00 C ATOM 984 O GLY A 87 3.196 13.802 1.405 1.00 0.00 O ATOM 0 H GLY A 87 6.431 14.623 0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.481 16.166 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.995 16.416 0.796 1.00 0.00 H new ATOM 988 N ASP A 88 2.705 15.620 0.174 1.00 0.00 N ATOM 989 CA ASP A 88 1.446 15.088 -0.347 1.00 0.00 C ATOM 990 C ASP A 88 1.696 13.926 -1.302 1.00 0.00 C ATOM 991 O ASP A 88 2.740 13.860 -1.955 1.00 0.00 O ATOM 992 CB ASP A 88 0.659 16.180 -1.080 1.00 0.00 C ATOM 993 CG ASP A 88 0.248 17.326 -0.180 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.079 18.229 0.056 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.912 17.345 0.278 1.00 0.00 O ATOM 0 H ASP A 88 2.941 16.549 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 88 0.865 14.731 0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.265 16.569 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.233 15.739 -1.526 1.00 0.00 H new ATOM 1000 N PRO A 89 0.744 12.988 -1.386 1.00 0.00 N ATOM 1001 CA PRO A 89 0.831 11.854 -2.302 1.00 0.00 C ATOM 1002 C PRO A 89 0.554 12.267 -3.749 1.00 0.00 C ATOM 1003 O PRO A 89 -0.569 12.625 -4.108 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.242 10.894 -1.786 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.238 11.754 -1.092 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.493 12.961 -0.583 1.00 0.00 C ATOM 0 HA PRO A 89 1.827 11.411 -2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.702 10.342 -2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.184 10.157 -1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.034 12.051 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.708 11.215 -0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.074 13.873 -0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.275 12.875 0.481 1.00 0.00 H new ATOM 1014 N LEU A 90 1.592 12.218 -4.570 1.00 0.00 N ATOM 1015 CA LEU A 90 1.500 12.629 -5.966 1.00 0.00 C ATOM 1016 C LEU A 90 0.807 11.543 -6.782 1.00 0.00 C ATOM 1017 O LEU A 90 -0.149 11.804 -7.509 1.00 0.00 O ATOM 1018 CB LEU A 90 2.911 12.894 -6.523 1.00 0.00 C ATOM 1019 CG LEU A 90 3.016 13.924 -7.660 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.474 14.191 -8.000 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.278 13.457 -8.902 1.00 0.00 C ATOM 0 H LEU A 90 2.518 11.894 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 90 0.914 13.546 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.546 13.226 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.320 11.949 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 90 2.551 14.846 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.532 14.922 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.987 14.580 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.950 13.263 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.373 14.209 -9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.707 12.516 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.224 13.310 -8.665 1.00 0.00 H new ATOM 1033 N SER A 91 1.290 10.319 -6.648 1.00 0.00 N ATOM 1034 CA SER A 91 0.767 9.212 -7.430 1.00 0.00 C ATOM 1035 C SER A 91 0.559 7.984 -6.554 1.00 0.00 C ATOM 1036 O SER A 91 1.289 7.773 -5.584 1.00 0.00 O ATOM 1037 CB SER A 91 1.721 8.884 -8.579 1.00 0.00 C ATOM 1038 OG SER A 91 1.997 10.040 -9.353 1.00 0.00 O ATOM 0 H SER A 91 2.042 10.067 -6.006 1.00 0.00 H new ATOM 0 HA SER A 91 -0.198 9.507 -7.842 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.651 8.478 -8.180 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.282 8.113 -9.213 1.00 0.00 H new ATOM 0 HG SER A 91 2.610 9.807 -10.081 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.431 7.183 -6.911 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.787 5.995 -6.150 1.00 0.00 C ATOM 1046 C LEU A 92 -1.302 4.929 -7.117 1.00 0.00 C ATOM 1047 O LEU A 92 -2.312 5.139 -7.790 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.863 6.370 -5.112 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.126 5.356 -3.986 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.939 6.002 -2.872 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.866 4.135 -4.507 1.00 0.00 C ATOM 0 H LEU A 92 -1.011 7.337 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 92 0.079 5.598 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.578 7.318 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.801 6.540 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.160 5.037 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.118 5.273 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.389 6.850 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.893 6.346 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.037 3.436 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.823 4.442 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.269 3.650 -5.279 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.605 3.804 -7.207 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.021 2.759 -8.128 1.00 0.00 C ATOM 1065 C GLY A 93 -0.037 1.602 -8.182 1.00 0.00 C ATOM 1066 O GLY A 93 0.810 1.477 -7.300 1.00 0.00 O ATOM 0 H GLY A 93 0.234 3.595 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.000 2.385 -7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.133 3.183 -9.126 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.127 0.736 -9.208 1.00 0.00 N ATOM 1071 CA PRO A 94 0.766 -0.422 -9.347 1.00 0.00 C ATOM 1072 C PRO A 94 2.200 -0.008 -9.680 1.00 0.00 C ATOM 1073 O PRO A 94 2.492 0.444 -10.792 1.00 0.00 O ATOM 1074 CB PRO A 94 0.144 -1.218 -10.500 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.614 -0.212 -11.295 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.106 0.817 -10.311 1.00 0.00 C ATOM 0 HA PRO A 94 0.846 -0.993 -8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.911 -1.703 -11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.513 -2.004 -10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.023 0.246 -12.052 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.448 -0.679 -11.820 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.132 1.814 -10.752 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.116 0.594 -9.968 1.00 0.00 H new ATOM 1084 N PHE A 95 3.096 -0.177 -8.718 1.00 0.00 N ATOM 1085 CA PHE A 95 4.469 0.283 -8.863 1.00 0.00 C ATOM 1086 C PHE A 95 5.395 -0.844 -9.316 1.00 0.00 C ATOM 1087 O PHE A 95 6.416 -0.590 -9.950 1.00 0.00 O ATOM 1088 CB PHE A 95 4.959 0.885 -7.539 1.00 0.00 C ATOM 1089 CG PHE A 95 6.374 1.397 -7.574 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.655 2.647 -8.095 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.420 0.634 -7.072 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.949 3.127 -8.123 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.718 1.109 -7.099 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.981 2.359 -7.622 1.00 0.00 C ATOM 0 H PHE A 95 2.896 -0.631 -7.827 1.00 0.00 H new ATOM 0 HA PHE A 95 4.490 1.051 -9.636 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.296 1.704 -7.259 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.879 0.129 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.852 3.255 -8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.217 -0.342 -6.656 1.00 0.00 H new ATOM 0 HE1 PHE A 95 8.154 4.103 -8.537 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.524 0.504 -6.712 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.993 2.736 -7.639 1.00 0.00 H new ATOM 1104 N LEU A 96 5.044 -2.087 -9.003 1.00 0.00 N ATOM 1105 CA LEU A 96 5.908 -3.213 -9.338 1.00 0.00 C ATOM 1106 C LEU A 96 5.080 -4.451 -9.662 1.00 0.00 C ATOM 1107 O LEU A 96 4.068 -4.717 -9.014 1.00 0.00 O ATOM 1108 CB LEU A 96 6.865 -3.498 -8.174 1.00 0.00 C ATOM 1109 CG LEU A 96 8.072 -4.381 -8.521 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.966 -3.685 -9.536 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.870 -4.726 -7.273 1.00 0.00 C ATOM 0 H LEU A 96 4.179 -2.338 -8.524 1.00 0.00 H new ATOM 0 HA LEU A 96 6.491 -2.956 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.230 -2.548 -7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.303 -3.977 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 96 7.697 -5.307 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.817 -4.325 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.399 -3.487 -10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.324 -2.743 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.719 -5.352 -7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.230 -3.809 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.233 -5.264 -6.571 1.00 0.00 H new ATOM 1123 N LYS A 97 5.507 -5.202 -10.668 1.00 0.00 N ATOM 1124 CA LYS A 97 4.794 -6.411 -11.071 1.00 0.00 C ATOM 1125 C LYS A 97 5.390 -7.646 -10.387 1.00 0.00 C ATOM 1126 O LYS A 97 5.829 -8.592 -11.036 1.00 0.00 O ATOM 1127 CB LYS A 97 4.806 -6.567 -12.603 1.00 0.00 C ATOM 1128 CG LYS A 97 6.188 -6.743 -13.221 1.00 0.00 C ATOM 1129 CD LYS A 97 6.101 -6.919 -14.728 1.00 0.00 C ATOM 1130 CE LYS A 97 7.435 -7.341 -15.319 1.00 0.00 C ATOM 1131 NZ LYS A 97 8.520 -6.371 -15.003 1.00 0.00 N ATOM 0 H LYS A 97 6.340 -4.998 -11.220 1.00 0.00 H new ATOM 0 HA LYS A 97 3.756 -6.318 -10.751 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.193 -7.427 -12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.335 -5.690 -13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.805 -5.875 -12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.678 -7.610 -12.779 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.344 -7.667 -14.965 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.779 -5.984 -15.186 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.706 -8.325 -14.936 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.338 -7.436 -16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.382 -6.633 -15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.224 -5.415 -15.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.713 -6.386 -13.981 1.00 0.00 H new ATOM 1144 N THR A 98 5.383 -7.633 -9.063 1.00 0.00 N ATOM 1145 CA THR A 98 5.958 -8.718 -8.284 1.00 0.00 C ATOM 1146 C THR A 98 5.148 -10.007 -8.444 1.00 0.00 C ATOM 1147 O THR A 98 4.104 -10.184 -7.814 1.00 0.00 O ATOM 1148 CB THR A 98 6.015 -8.341 -6.794 1.00 0.00 C ATOM 1149 OG1 THR A 98 6.524 -7.008 -6.649 1.00 0.00 O ATOM 1150 CG2 THR A 98 6.894 -9.308 -6.012 1.00 0.00 C ATOM 0 H THR A 98 4.984 -6.879 -8.504 1.00 0.00 H new ATOM 0 HA THR A 98 6.968 -8.888 -8.658 1.00 0.00 H new ATOM 0 HB THR A 98 5.003 -8.397 -6.393 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.012 -6.754 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.914 -9.014 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.491 -10.317 -6.099 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.907 -9.285 -6.414 1.00 0.00 H new ATOM 1158 N TYR A 99 5.631 -10.907 -9.289 1.00 0.00 N ATOM 1159 CA TYR A 99 4.982 -12.198 -9.478 1.00 0.00 C ATOM 1160 C TYR A 99 5.485 -13.199 -8.440 1.00 0.00 C ATOM 1161 O TYR A 99 5.867 -14.322 -8.770 1.00 0.00 O ATOM 1162 CB TYR A 99 5.238 -12.729 -10.892 1.00 0.00 C ATOM 1163 CG TYR A 99 4.759 -11.815 -12.005 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.413 -11.501 -12.149 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.655 -11.281 -12.925 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.974 -10.681 -13.172 1.00 0.00 C ATOM 1167 CE2 TYR A 99 5.222 -10.458 -13.948 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.883 -10.160 -14.068 1.00 0.00 C ATOM 1169 OH TYR A 99 3.450 -9.351 -15.096 1.00 0.00 O ATOM 0 H TYR A 99 6.469 -10.768 -9.854 1.00 0.00 H new ATOM 0 HA TYR A 99 3.908 -12.066 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.308 -12.899 -11.014 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.747 -13.697 -10.997 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.697 -11.905 -11.449 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.706 -11.513 -12.839 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.924 -10.450 -13.269 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.932 -10.050 -14.652 1.00 0.00 H new ATOM 0 HH TYR A 99 2.646 -8.867 -14.815 1.00 0.00 H new ATOM 1179 N THR A 100 5.478 -12.782 -7.182 1.00 0.00 N ATOM 1180 CA THR A 100 5.976 -13.609 -6.096 1.00 0.00 C ATOM 1181 C THR A 100 4.990 -13.618 -4.926 1.00 0.00 C ATOM 1182 O THR A 100 4.778 -12.594 -4.272 1.00 0.00 O ATOM 1183 CB THR A 100 7.350 -13.106 -5.606 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.234 -12.931 -6.724 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.969 -14.091 -4.623 1.00 0.00 C ATOM 0 H THR A 100 5.130 -11.869 -6.889 1.00 0.00 H new ATOM 0 HA THR A 100 6.086 -14.624 -6.478 1.00 0.00 H new ATOM 0 HB THR A 100 7.202 -12.152 -5.100 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.104 -12.610 -6.406 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.937 -13.715 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.311 -14.208 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.103 -15.056 -5.111 1.00 0.00 H new ATOM 1193 N PRO A 101 4.361 -14.771 -4.664 1.00 0.00 N ATOM 1194 CA PRO A 101 3.419 -14.934 -3.571 1.00 0.00 C ATOM 1195 C PRO A 101 4.094 -15.411 -2.288 1.00 0.00 C ATOM 1196 O PRO A 101 4.466 -16.579 -2.166 1.00 0.00 O ATOM 1197 CB PRO A 101 2.457 -16.007 -4.097 1.00 0.00 C ATOM 1198 CG PRO A 101 3.153 -16.671 -5.255 1.00 0.00 C ATOM 1199 CD PRO A 101 4.503 -16.018 -5.416 1.00 0.00 C ATOM 0 HA PRO A 101 2.935 -13.995 -3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.221 -16.732 -3.318 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.514 -15.561 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.265 -17.740 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.565 -16.564 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.302 -16.641 -5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.738 -15.832 -6.464 1.00 0.00 H new ATOM 1207 N GLN A 102 4.268 -14.497 -1.340 1.00 0.00 N ATOM 1208 CA GLN A 102 4.855 -14.840 -0.053 1.00 0.00 C ATOM 1209 C GLN A 102 4.288 -13.948 1.044 1.00 0.00 C ATOM 1210 O GLN A 102 3.540 -14.402 1.904 1.00 0.00 O ATOM 1211 CB GLN A 102 6.381 -14.706 -0.109 1.00 0.00 C ATOM 1212 CG GLN A 102 7.093 -15.234 1.128 1.00 0.00 C ATOM 1213 CD GLN A 102 6.788 -16.697 1.401 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.874 -17.025 2.159 1.00 0.00 O ATOM 1215 NE2 GLN A 102 7.534 -17.584 0.765 1.00 0.00 N ATOM 0 H GLN A 102 4.011 -13.515 -1.439 1.00 0.00 H new ATOM 0 HA GLN A 102 4.604 -15.876 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.751 -15.240 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.639 -13.656 -0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.169 -15.108 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.800 -14.639 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.282 -17.271 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.362 -18.581 0.894 1.00 0.00 H new ATOM 1224 N SER A 103 4.632 -12.673 1.001 1.00 0.00 N ATOM 1225 CA SER A 103 4.162 -11.734 2.005 1.00 0.00 C ATOM 1226 C SER A 103 3.196 -10.726 1.396 1.00 0.00 C ATOM 1227 O SER A 103 3.036 -9.620 1.905 1.00 0.00 O ATOM 1228 CB SER A 103 5.352 -11.012 2.641 1.00 0.00 C ATOM 1229 OG SER A 103 6.271 -11.940 3.192 1.00 0.00 O ATOM 0 H SER A 103 5.233 -12.265 0.285 1.00 0.00 H new ATOM 0 HA SER A 103 3.629 -12.290 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.853 -10.399 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 103 4.999 -10.337 3.421 1.00 0.00 H new ATOM 0 HG SER A 103 7.024 -11.457 3.591 1.00 0.00 H new ATOM 1235 N SER A 104 2.550 -11.118 0.313 1.00 0.00 N ATOM 1236 CA SER A 104 1.622 -10.241 -0.385 1.00 0.00 C ATOM 1237 C SER A 104 0.189 -10.503 0.085 1.00 0.00 C ATOM 1238 O SER A 104 -0.185 -11.652 0.351 1.00 0.00 O ATOM 1239 CB SER A 104 1.751 -10.478 -1.887 1.00 0.00 C ATOM 1240 OG SER A 104 3.115 -10.621 -2.255 1.00 0.00 O ATOM 0 H SER A 104 2.650 -12.043 -0.106 1.00 0.00 H new ATOM 0 HA SER A 104 1.861 -9.201 -0.164 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.197 -11.374 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.307 -9.645 -2.432 1.00 0.00 H new ATOM 0 HG SER A 104 3.179 -10.774 -3.221 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.610 -9.445 0.202 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.968 -9.573 0.724 1.00 0.00 C ATOM 1248 C ILE A 105 -2.991 -8.822 -0.126 1.00 0.00 C ATOM 1249 O ILE A 105 -2.669 -7.853 -0.820 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.083 -9.055 2.177 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.577 -7.608 2.267 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.331 -9.971 3.136 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.807 -6.948 3.611 1.00 0.00 C ATOM 0 H ILE A 105 -0.343 -8.495 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.185 -10.641 0.694 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.132 -9.063 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.509 -7.595 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.069 -7.015 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.424 -9.589 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.752 -10.975 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.278 -10.005 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.420 -5.929 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.875 -6.925 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.292 -7.514 4.387 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.227 -9.299 -0.056 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.373 -8.614 -0.630 1.00 0.00 C ATOM 1267 C ILE A 106 -6.359 -8.273 0.483 1.00 0.00 C ATOM 1268 O ILE A 106 -6.768 -9.149 1.251 1.00 0.00 O ATOM 1269 CB ILE A 106 -6.085 -9.472 -1.707 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.274 -9.496 -2.999 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.490 -8.947 -1.982 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.832 -10.440 -4.046 1.00 0.00 C ATOM 0 H ILE A 106 -4.462 -10.178 0.404 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.014 -7.707 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.165 -10.489 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.236 -8.489 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.249 -9.786 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.968 -9.566 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -8.077 -8.980 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.431 -7.918 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.206 -10.406 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.845 -11.456 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.847 -10.138 -4.304 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.716 -7.005 0.591 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.650 -6.568 1.618 1.00 0.00 C ATOM 1286 C CYS A 107 -9.075 -6.552 1.079 1.00 0.00 C ATOM 1287 O CYS A 107 -9.308 -6.187 -0.075 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.258 -5.186 2.137 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.610 -5.140 2.910 1.00 0.00 S ATOM 0 H CYS A 107 -6.375 -6.261 -0.017 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.608 -7.276 2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.283 -4.476 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.000 -4.855 2.863 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.023 -6.963 1.912 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.423 -7.008 1.515 1.00 0.00 C ATOM 1296 C TYR A 108 -12.247 -6.067 2.388 1.00 0.00 C ATOM 1297 O TYR A 108 -12.031 -5.985 3.600 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.975 -8.434 1.627 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.269 -9.450 0.754 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.636 -9.627 -0.575 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.235 -10.232 1.258 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.997 -10.555 -1.374 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.592 -11.159 0.464 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.974 -11.316 -0.850 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.334 -12.238 -1.644 1.00 0.00 O ATOM 0 H TYR A 108 -9.846 -7.270 2.868 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.492 -6.688 0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.906 -8.756 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.033 -8.422 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.434 -9.029 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.931 -10.112 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.297 -10.684 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.792 -11.759 0.871 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.637 -12.690 -1.124 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.192 -5.365 1.780 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.992 -4.410 2.519 1.00 0.00 C ATOM 1317 C GLY A 109 -13.916 -3.022 1.921 1.00 0.00 C ATOM 1318 O GLY A 109 -13.712 -2.873 0.716 1.00 0.00 O ATOM 0 H GLY A 109 -13.419 -5.440 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.030 -4.742 2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.653 -4.378 3.554 1.00 0.00 H new ATOM 1322 N GLN A 110 -14.068 -2.009 2.761 1.00 0.00 N ATOM 1323 CA GLN A 110 -14.056 -0.626 2.304 1.00 0.00 C ATOM 1324 C GLN A 110 -12.622 -0.124 2.159 1.00 0.00 C ATOM 1325 O GLN A 110 -11.773 -0.379 3.019 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.831 0.258 3.289 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.047 1.683 2.798 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.872 2.513 3.762 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -17.102 2.541 3.685 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.204 3.202 4.672 1.00 0.00 N ATOM 0 H GLN A 110 -14.202 -2.119 3.766 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.539 -0.576 1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.801 -0.199 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.293 0.288 4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.080 2.162 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.544 1.658 1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.186 3.152 4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.707 3.783 5.343 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.367 0.580 1.059 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.049 1.131 0.765 1.00 0.00 C ATOM 1341 C LEU A 111 -10.556 1.990 1.921 1.00 0.00 C ATOM 1342 O LEU A 111 -11.229 2.929 2.343 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.107 1.941 -0.539 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.787 2.573 -1.009 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.774 2.711 -2.524 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.584 3.943 -0.375 1.00 0.00 C ATOM 0 H LEU A 111 -13.069 0.784 0.347 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.341 0.312 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.474 1.288 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.842 2.736 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.974 1.917 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.833 3.160 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.878 1.726 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.603 3.346 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.643 4.369 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.407 4.600 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.557 3.841 0.710 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.382 1.648 2.428 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.827 2.359 3.558 1.00 0.00 C ATOM 1360 C GLY A 112 -8.751 1.482 4.787 1.00 0.00 C ATOM 1361 O GLY A 112 -7.986 1.761 5.712 1.00 0.00 O ATOM 0 H GLY A 112 -8.802 0.887 2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.830 2.721 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.439 3.235 3.773 1.00 0.00 H new ATOM 1365 N SER A 113 -9.542 0.416 4.798 1.00 0.00 N ATOM 1366 CA SER A 113 -9.564 -0.496 5.926 1.00 0.00 C ATOM 1367 C SER A 113 -8.714 -1.734 5.650 1.00 0.00 C ATOM 1368 O SER A 113 -9.021 -2.538 4.769 1.00 0.00 O ATOM 1369 CB SER A 113 -11.002 -0.909 6.260 1.00 0.00 C ATOM 1370 OG SER A 113 -11.040 -1.703 7.436 1.00 0.00 O ATOM 0 H SER A 113 -10.174 0.165 4.038 1.00 0.00 H new ATOM 0 HA SER A 113 -9.140 0.027 6.783 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.618 -0.020 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.428 -1.467 5.426 1.00 0.00 H new ATOM 0 HG SER A 113 -11.967 -1.954 7.632 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.644 -1.875 6.414 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.774 -3.041 6.343 1.00 0.00 C ATOM 1378 C PHE A 114 -7.116 -3.997 7.481 1.00 0.00 C ATOM 1379 O PHE A 114 -6.296 -4.817 7.897 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.303 -2.624 6.454 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.812 -1.759 5.326 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.995 -0.383 5.353 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.155 -2.319 4.242 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.534 0.411 4.324 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.690 -1.527 3.210 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.883 -0.161 3.250 1.00 0.00 C ATOM 0 H PHE A 114 -7.352 -1.183 7.104 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.927 -3.534 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.160 -2.090 7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.687 -3.522 6.501 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.505 0.071 6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.005 -3.388 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.682 1.480 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.176 -1.976 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.525 0.460 2.442 1.00 0.00 H new ATOM 1396 N SER A 115 -8.340 -3.876 7.980 1.00 0.00 N ATOM 1397 CA SER A 115 -8.779 -4.646 9.135 1.00 0.00 C ATOM 1398 C SER A 115 -8.938 -6.121 8.777 1.00 0.00 C ATOM 1399 O SER A 115 -8.835 -6.993 9.639 1.00 0.00 O ATOM 1400 CB SER A 115 -10.098 -4.082 9.675 1.00 0.00 C ATOM 1401 OG SER A 115 -10.236 -4.339 11.065 1.00 0.00 O ATOM 0 H SER A 115 -9.049 -3.248 7.600 1.00 0.00 H new ATOM 0 HA SER A 115 -8.018 -4.566 9.911 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.138 -3.008 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.934 -4.526 9.136 1.00 0.00 H new ATOM 0 HG SER A 115 -11.085 -3.967 11.384 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.167 -6.402 7.501 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.333 -7.774 7.048 1.00 0.00 C ATOM 1409 C ASN A 116 -8.642 -7.980 5.708 1.00 0.00 C ATOM 1410 O ASN A 116 -9.202 -7.682 4.651 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.818 -8.134 6.937 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.039 -9.622 6.731 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.087 -10.110 5.600 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.175 -10.352 7.825 1.00 0.00 N ATOM 0 H ASN A 116 -9.242 -5.700 6.765 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.872 -8.432 7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.335 -7.814 7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.261 -7.585 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.326 -11.358 7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.129 -9.909 8.743 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.412 -8.460 5.761 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.657 -8.748 4.555 1.00 0.00 C ATOM 1423 C CYS A 117 -6.160 -10.188 4.588 1.00 0.00 C ATOM 1424 O CYS A 117 -5.832 -10.715 5.653 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.478 -7.780 4.420 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.909 -6.031 4.710 1.00 0.00 S ATOM 0 H CYS A 117 -6.914 -8.659 6.629 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.308 -8.618 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.700 -8.072 5.125 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.055 -7.877 3.420 1.00 0.00 H new ATOM 1431 N SER A 118 -6.116 -10.823 3.429 1.00 0.00 N ATOM 1432 CA SER A 118 -5.740 -12.224 3.340 1.00 0.00 C ATOM 1433 C SER A 118 -4.591 -12.417 2.354 1.00 0.00 C ATOM 1434 O SER A 118 -4.373 -11.586 1.469 1.00 0.00 O ATOM 1435 CB SER A 118 -6.954 -13.045 2.907 1.00 0.00 C ATOM 1436 OG SER A 118 -8.053 -12.805 3.770 1.00 0.00 O ATOM 0 H SER A 118 -6.337 -10.388 2.533 1.00 0.00 H new ATOM 0 HA SER A 118 -5.401 -12.563 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.226 -12.789 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.704 -14.106 2.915 1.00 0.00 H new ATOM 0 HG SER A 118 -8.822 -13.337 3.477 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.864 -13.519 2.519 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.745 -13.857 1.648 1.00 0.00 C ATOM 1444 C HIS A 119 -3.222 -13.974 0.204 1.00 0.00 C ATOM 1445 O HIS A 119 -4.176 -14.702 -0.084 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.105 -15.181 2.105 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.909 -15.613 1.299 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.813 -16.059 0.024 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 0.373 -15.635 1.802 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 0.506 -16.334 -0.216 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 1.202 -16.070 0.873 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.034 -14.200 3.259 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.998 -13.065 1.707 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.807 -15.083 3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.859 -15.967 2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.656 -15.342 2.802 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.911 -16.706 -1.145 1.00 0.00 H new ATOM 0 HE2 HIS A 119 2.210 -16.183 0.979 1.00 0.00 H new ATOM 1459 N SER A 120 -2.562 -13.262 -0.692 1.00 0.00 N ATOM 1460 CA SER A 120 -2.890 -13.319 -2.103 1.00 0.00 C ATOM 1461 C SER A 120 -2.318 -14.596 -2.711 1.00 0.00 C ATOM 1462 O SER A 120 -1.231 -14.586 -3.291 1.00 0.00 O ATOM 1463 CB SER A 120 -2.327 -12.087 -2.812 1.00 0.00 C ATOM 1464 OG SER A 120 -0.938 -11.964 -2.575 1.00 0.00 O ATOM 0 H SER A 120 -1.791 -12.634 -0.464 1.00 0.00 H new ATOM 0 HA SER A 120 -3.973 -13.328 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.513 -12.161 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.841 -11.193 -2.461 1.00 0.00 H new ATOM 0 HG SER A 120 -0.487 -12.793 -2.837 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.036 -15.703 -2.549 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.548 -16.992 -3.011 1.00 0.00 C ATOM 1472 C ARG A 121 -2.721 -17.125 -4.521 1.00 0.00 C ATOM 1473 O ARG A 121 -3.687 -17.715 -5.006 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.258 -18.135 -2.283 1.00 0.00 C ATOM 1475 CG ARG A 121 -2.582 -19.484 -2.483 1.00 0.00 C ATOM 1476 CD ARG A 121 -1.128 -19.445 -2.037 1.00 0.00 C ATOM 1477 NE ARG A 121 -0.453 -20.721 -2.252 1.00 0.00 N ATOM 1478 CZ ARG A 121 0.862 -20.847 -2.390 1.00 0.00 C ATOM 1479 NH1 ARG A 121 1.637 -19.772 -2.364 1.00 0.00 N ATOM 1480 NH2 ARG A 121 1.408 -22.041 -2.558 1.00 0.00 N ATOM 0 H ARG A 121 -3.953 -15.731 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.484 -17.053 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.297 -17.910 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.288 -18.196 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.117 -20.248 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.635 -19.767 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.603 -18.661 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.080 -19.184 -0.980 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.024 -21.565 -2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.224 -18.848 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.647 -19.869 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.818 -22.873 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.419 -22.129 -2.663 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.788 -16.532 -5.243 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.724 -16.630 -6.690 1.00 0.00 C ATOM 1495 C ASN A 122 -0.320 -16.229 -7.113 1.00 0.00 C ATOM 1496 O ASN A 122 0.344 -15.489 -6.391 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.764 -15.714 -7.347 1.00 0.00 C ATOM 1498 CG ASN A 122 -2.938 -15.998 -8.827 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -2.167 -15.319 -9.659 1.00 0.00 O flip ATOM 1500 ND2 ASN A 122 -3.765 -16.817 -9.221 1.00 0.00 N flip ATOM 0 H ASN A 122 -1.045 -15.963 -4.837 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.945 -17.649 -7.008 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.722 -15.837 -6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.464 -14.675 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.343 -17.322 -8.549 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -3.874 -16.992 -10.220 1.00 0.00 H new ATOM 1507 N ASP A 123 0.127 -16.693 -8.271 1.00 0.00 N ATOM 1508 CA ASP A 123 1.516 -16.498 -8.694 1.00 0.00 C ATOM 1509 C ASP A 123 1.771 -15.078 -9.209 1.00 0.00 C ATOM 1510 O ASP A 123 2.619 -14.864 -10.073 1.00 0.00 O ATOM 1511 CB ASP A 123 1.891 -17.523 -9.773 1.00 0.00 C ATOM 1512 CG ASP A 123 1.109 -17.344 -11.062 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -0.122 -17.567 -11.057 1.00 0.00 O ATOM 1514 OD2 ASP A 123 1.725 -16.988 -12.090 1.00 0.00 O ATOM 0 H ASP A 123 -0.448 -17.208 -8.938 1.00 0.00 H new ATOM 0 HA ASP A 123 2.145 -16.645 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.957 -17.443 -9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.719 -18.528 -9.387 1.00 0.00 H new ATOM 1519 N MET A 124 1.062 -14.104 -8.649 1.00 0.00 N ATOM 1520 CA MET A 124 1.233 -12.714 -9.041 1.00 0.00 C ATOM 1521 C MET A 124 0.639 -11.778 -8.000 1.00 0.00 C ATOM 1522 O MET A 124 -0.350 -12.105 -7.342 1.00 0.00 O ATOM 1523 CB MET A 124 0.574 -12.428 -10.396 1.00 0.00 C ATOM 1524 CG MET A 124 -0.946 -12.441 -10.354 1.00 0.00 C ATOM 1525 SD MET A 124 -1.693 -11.697 -11.815 1.00 0.00 S ATOM 1526 CE MET A 124 -0.977 -12.703 -13.111 1.00 0.00 C ATOM 0 H MET A 124 0.363 -14.254 -7.921 1.00 0.00 H new ATOM 0 HA MET A 124 2.306 -12.538 -9.122 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.910 -11.455 -10.755 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.915 -13.169 -11.119 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.293 -13.470 -10.258 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.285 -11.906 -9.467 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.474 -12.486 -14.057 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.086 -12.479 -13.200 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.107 -13.757 -12.867 1.00 0.00 H new ATOM 1536 N CYS A 125 1.263 -10.624 -7.851 1.00 0.00 N ATOM 1537 CA CYS A 125 0.714 -9.545 -7.053 1.00 0.00 C ATOM 1538 C CYS A 125 1.110 -8.210 -7.656 1.00 0.00 C ATOM 1539 O CYS A 125 2.283 -7.831 -7.636 1.00 0.00 O ATOM 1540 CB CYS A 125 1.189 -9.612 -5.596 1.00 0.00 C ATOM 1541 SG CYS A 125 0.882 -8.074 -4.653 1.00 0.00 S ATOM 0 H CYS A 125 2.163 -10.409 -8.279 1.00 0.00 H new ATOM 0 HA CYS A 125 -0.371 -9.650 -7.055 1.00 0.00 H new ATOM 0 HB2 CYS A 125 0.687 -10.441 -5.097 1.00 0.00 H new ATOM 0 HB3 CYS A 125 2.257 -9.831 -5.581 1.00 0.00 H new ATOM 1546 N HIS A 126 0.141 -7.518 -8.234 1.00 0.00 N ATOM 1547 CA HIS A 126 0.359 -6.150 -8.668 1.00 0.00 C ATOM 1548 C HIS A 126 0.660 -5.311 -7.437 1.00 0.00 C ATOM 1549 O HIS A 126 -0.240 -4.995 -6.671 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.871 -5.601 -9.400 1.00 0.00 C ATOM 1551 CG HIS A 126 -1.225 -6.352 -10.648 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -2.361 -7.127 -10.767 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.589 -6.436 -11.841 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -2.405 -7.657 -11.976 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -1.342 -7.253 -12.646 1.00 0.00 N ATOM 0 H HIS A 126 -0.796 -7.879 -8.412 1.00 0.00 H new ATOM 0 HA HIS A 126 1.194 -6.114 -9.367 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.724 -5.622 -8.722 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -0.693 -4.556 -9.655 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -3.058 -7.268 -10.036 1.00 0.00 H new ATOM 0 HD2 HIS A 126 0.338 -5.950 -12.109 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -3.179 -8.310 -12.352 1.00 0.00 H new ATOM 1563 N SER A 127 1.923 -4.999 -7.219 1.00 0.00 N ATOM 1564 CA SER A 127 2.333 -4.353 -5.985 1.00 0.00 C ATOM 1565 C SER A 127 1.950 -2.883 -5.981 1.00 0.00 C ATOM 1566 O SER A 127 2.280 -2.139 -6.910 1.00 0.00 O ATOM 1567 CB SER A 127 3.836 -4.509 -5.794 1.00 0.00 C ATOM 1568 OG SER A 127 4.221 -5.855 -6.005 1.00 0.00 O ATOM 0 H SER A 127 2.681 -5.181 -7.877 1.00 0.00 H new ATOM 0 HA SER A 127 1.814 -4.835 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.367 -3.858 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.116 -4.197 -4.788 1.00 0.00 H new ATOM 0 HG SER A 127 5.173 -5.891 -6.233 1.00 0.00 H new ATOM 1574 N LEU A 128 1.251 -2.473 -4.937 1.00 0.00 N ATOM 1575 CA LEU A 128 0.840 -1.092 -4.796 1.00 0.00 C ATOM 1576 C LEU A 128 2.029 -0.238 -4.376 1.00 0.00 C ATOM 1577 O LEU A 128 2.796 -0.617 -3.488 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.289 -0.974 -3.768 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.815 0.444 -3.531 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.511 0.984 -4.772 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.764 0.463 -2.344 1.00 0.00 C ATOM 0 H LEU A 128 0.957 -3.081 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 128 0.470 -0.735 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.119 -1.602 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.064 -1.376 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 128 0.036 1.089 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -1.875 1.993 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -0.806 1.008 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.351 0.339 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.130 1.478 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.606 -0.200 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.237 0.125 -1.452 1.00 0.00 H new ATOM 1593 N GLY A 129 2.191 0.894 -5.033 1.00 0.00 N ATOM 1594 CA GLY A 129 3.250 1.808 -4.689 1.00 0.00 C ATOM 1595 C GLY A 129 2.762 3.232 -4.710 1.00 0.00 C ATOM 1596 O GLY A 129 1.757 3.539 -5.357 1.00 0.00 O ATOM 0 H GLY A 129 1.600 1.198 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.636 1.567 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.077 1.693 -5.390 1.00 0.00 H new ATOM 1600 N LEU A 130 3.458 4.104 -4.012 1.00 0.00 N ATOM 1601 CA LEU A 130 3.029 5.479 -3.897 1.00 0.00 C ATOM 1602 C LEU A 130 4.224 6.412 -4.033 1.00 0.00 C ATOM 1603 O LEU A 130 5.345 6.063 -3.656 1.00 0.00 O ATOM 1604 CB LEU A 130 2.321 5.682 -2.553 1.00 0.00 C ATOM 1605 CG LEU A 130 1.315 6.838 -2.502 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.278 6.584 -1.430 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.014 8.158 -2.236 1.00 0.00 C ATOM 0 H LEU A 130 4.322 3.884 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 130 2.328 5.712 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.801 4.760 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.077 5.848 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 130 0.823 6.897 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -0.430 7.413 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -0.254 5.659 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.770 6.497 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.277 8.960 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.536 8.107 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.732 8.356 -3.031 1.00 0.00 H new ATOM 1619 N THR A 131 3.985 7.577 -4.603 1.00 0.00 N ATOM 1620 CA THR A 131 5.011 8.593 -4.744 1.00 0.00 C ATOM 1621 C THR A 131 4.594 9.859 -4.001 1.00 0.00 C ATOM 1622 O THR A 131 3.744 10.608 -4.476 1.00 0.00 O ATOM 1623 CB THR A 131 5.259 8.922 -6.230 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.549 7.714 -6.948 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.415 9.904 -6.391 1.00 0.00 C ATOM 0 H THR A 131 3.077 7.846 -4.981 1.00 0.00 H new ATOM 0 HA THR A 131 5.936 8.206 -4.316 1.00 0.00 H new ATOM 0 HB THR A 131 4.359 9.386 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.705 7.924 -7.892 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.567 10.117 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.182 10.829 -5.864 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.323 9.468 -5.975 1.00 0.00 H new ATOM 1633 N CYS A 132 5.162 10.066 -2.824 1.00 0.00 N ATOM 1634 CA CYS A 132 4.882 11.258 -2.031 1.00 0.00 C ATOM 1635 C CYS A 132 5.857 12.363 -2.422 1.00 0.00 C ATOM 1636 O CYS A 132 7.004 12.085 -2.776 1.00 0.00 O ATOM 1637 CB CYS A 132 5.021 10.948 -0.532 1.00 0.00 C ATOM 1638 SG CYS A 132 4.169 9.430 0.006 1.00 0.00 S ATOM 0 H CYS A 132 5.824 9.421 -2.392 1.00 0.00 H new ATOM 0 HA CYS A 132 3.860 11.584 -2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.080 10.861 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.630 11.791 0.038 1.00 0.00 H new ATOM 1643 N LEU A 133 5.395 13.608 -2.379 1.00 0.00 N ATOM 1644 CA LEU A 133 6.244 14.745 -2.699 1.00 0.00 C ATOM 1645 C LEU A 133 7.426 14.804 -1.743 1.00 0.00 C ATOM 1646 O LEU A 133 7.253 14.823 -0.523 1.00 0.00 O ATOM 1647 CB LEU A 133 5.450 16.054 -2.634 1.00 0.00 C ATOM 1648 CG LEU A 133 4.349 16.209 -3.688 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.623 17.534 -3.514 1.00 0.00 C ATOM 1650 CD2 LEU A 133 4.931 16.111 -5.089 1.00 0.00 C ATOM 0 H LEU A 133 4.438 13.853 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 133 6.615 14.618 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.997 16.136 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.146 16.887 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 133 3.633 15.399 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.845 17.625 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.171 17.574 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.332 18.354 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.133 16.224 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.670 16.900 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.408 15.139 -5.218 1.00 0.00 H new ATOM 1662 N GLU A 134 8.619 14.815 -2.302 1.00 0.00 N ATOM 1663 CA GLU A 134 9.835 14.835 -1.512 1.00 0.00 C ATOM 1664 C GLU A 134 10.303 16.270 -1.314 1.00 0.00 C ATOM 1665 O GLU A 134 10.858 16.849 -2.268 1.00 0.00 O ATOM 1666 CB GLU A 134 10.913 13.994 -2.202 1.00 0.00 C ATOM 1667 CG GLU A 134 12.255 13.997 -1.492 1.00 0.00 C ATOM 1668 CD GLU A 134 13.266 13.108 -2.177 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.839 13.526 -3.202 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.485 11.976 -1.696 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.095 16.816 -0.211 1.00 0.00 O ATOM 0 H GLU A 134 8.774 14.810 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 134 9.639 14.404 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.560 12.966 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.051 14.364 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.639 15.016 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.120 13.665 -0.463 1.00 0.00 H new