USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 774 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 71 MET CE :methyl 145:sc= -2.76 (180deg=-5.63!) USER MOD Set 1.2: A 74 THR OG1 : rot 74:sc= -0.404 USER MOD Set 2.1: A 30 CYS SG : rot 124:sc= 0.11 USER MOD Set 2.2: A 57 GLN : amide:sc= -0.735 X(o=-3,f=-2.8) USER MOD Set 2.3: A 62 CYS SG : rot 109:sc= -2.6! USER MOD Set 2.4: A 79 CYS SG : rot 108:sc= 0.262 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0786 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 40:sc= 0.969 USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 1.27 (180deg=1.12) USER MOD Single : A 17 ASN : amide:sc= 0.00406 K(o=0.0041,f=-0.57) USER MOD Single : A 18 GLN : amide:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 33 ASN :FLIP amide:sc= 0.111 F(o=-1.7,f=0.11) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0.0276 (180deg=0.0239) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -96:sc= 0.151 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -160:sc= -0.227 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 77 TYR OH : rot -22:sc= 0.0162 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -128:sc= -0.489 USER MOD Single : A 83 GLN : amide:sc= -2.61! C(o=-2.6!,f=-3.7!) USER MOD Single : A 86 THR OG1 : rot 173:sc= -0.855! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 168:sc= -0.568 (180deg=-0.919) USER MOD Single : A 91 THR OG1 : rot 7:sc= 0.00205 USER MOD Single : A 98 LYS NZ :NH3+ -119:sc= 0.103 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.409 30.264 -4.253 1.00 0.00 N ATOM 2 CA GLY A 1 -16.230 30.779 -3.583 1.00 0.00 C ATOM 3 C GLY A 1 -15.067 29.808 -3.626 1.00 0.00 C ATOM 4 O GLY A 1 -15.235 28.645 -3.993 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.640 30.872 -5.064 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.224 29.297 -4.587 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.209 30.254 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.932 31.718 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.475 31.002 -2.544 1.00 0.00 H new ATOM 8 N SER A 2 -13.884 30.286 -3.253 1.00 0.00 N ATOM 9 CA SER A 2 -12.688 29.452 -3.256 1.00 0.00 C ATOM 10 C SER A 2 -12.695 28.487 -2.074 1.00 0.00 C ATOM 11 O SER A 2 -13.486 28.634 -1.143 1.00 0.00 O ATOM 12 CB SER A 2 -11.432 30.325 -3.209 1.00 0.00 C ATOM 13 OG SER A 2 -11.375 31.197 -4.324 1.00 0.00 O ATOM 0 H SER A 2 -13.728 31.246 -2.945 1.00 0.00 H new ATOM 0 HA SER A 2 -12.683 28.870 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.424 30.907 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.545 29.691 -3.193 1.00 0.00 H new ATOM 0 HG SER A 2 -10.564 31.745 -4.270 1.00 0.00 H new ATOM 19 N SER A 3 -11.806 27.499 -2.120 1.00 0.00 N ATOM 20 CA SER A 3 -11.712 26.507 -1.056 1.00 0.00 C ATOM 21 C SER A 3 -11.874 27.161 0.313 1.00 0.00 C ATOM 22 O SER A 3 -11.147 28.092 0.659 1.00 0.00 O ATOM 23 CB SER A 3 -10.370 25.776 -1.129 1.00 0.00 C ATOM 24 OG SER A 3 -10.247 24.829 -0.082 1.00 0.00 O ATOM 0 H SER A 3 -11.142 27.365 -2.882 1.00 0.00 H new ATOM 0 HA SER A 3 -12.518 25.786 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.279 25.273 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.555 26.498 -1.068 1.00 0.00 H new ATOM 0 HG SER A 3 -9.382 24.374 -0.152 1.00 0.00 H new ATOM 30 N GLY A 4 -12.833 26.666 1.089 1.00 0.00 N ATOM 31 CA GLY A 4 -13.074 27.213 2.411 1.00 0.00 C ATOM 32 C GLY A 4 -14.377 26.724 3.012 1.00 0.00 C ATOM 33 O GLY A 4 -15.226 27.524 3.407 1.00 0.00 O ATOM 0 H GLY A 4 -13.447 25.896 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.249 26.941 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.090 28.301 2.353 1.00 0.00 H new ATOM 37 N SER A 5 -14.538 25.406 3.081 1.00 0.00 N ATOM 38 CA SER A 5 -15.750 24.812 3.633 1.00 0.00 C ATOM 39 C SER A 5 -15.473 24.179 4.993 1.00 0.00 C ATOM 40 O SER A 5 -14.496 23.450 5.164 1.00 0.00 O ATOM 41 CB SER A 5 -16.310 23.760 2.673 1.00 0.00 C ATOM 42 OG SER A 5 -15.333 22.783 2.360 1.00 0.00 O ATOM 0 H SER A 5 -13.844 24.730 2.762 1.00 0.00 H new ATOM 0 HA SER A 5 -16.487 25.604 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.179 23.279 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.651 24.244 1.758 1.00 0.00 H new ATOM 0 HG SER A 5 -15.716 22.122 1.747 1.00 0.00 H new ATOM 48 N SER A 6 -16.342 24.463 5.958 1.00 0.00 N ATOM 49 CA SER A 6 -16.190 23.926 7.305 1.00 0.00 C ATOM 50 C SER A 6 -16.889 22.576 7.433 1.00 0.00 C ATOM 51 O SER A 6 -18.102 22.508 7.627 1.00 0.00 O ATOM 52 CB SER A 6 -16.756 24.906 8.335 1.00 0.00 C ATOM 53 OG SER A 6 -18.139 25.128 8.120 1.00 0.00 O ATOM 0 H SER A 6 -17.158 25.062 5.832 1.00 0.00 H new ATOM 0 HA SER A 6 -15.126 23.785 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.599 24.514 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.219 25.852 8.275 1.00 0.00 H new ATOM 0 HG SER A 6 -18.572 24.283 7.876 1.00 0.00 H new ATOM 59 N GLY A 7 -16.113 21.501 7.324 1.00 0.00 N ATOM 60 CA GLY A 7 -16.674 20.167 7.430 1.00 0.00 C ATOM 61 C GLY A 7 -15.709 19.094 6.967 1.00 0.00 C ATOM 62 O GLY A 7 -14.511 19.331 6.813 1.00 0.00 O ATOM 0 H GLY A 7 -15.106 21.531 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.956 19.976 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.586 20.112 6.836 1.00 0.00 H new ATOM 66 N PRO A 8 -16.233 17.880 6.739 1.00 0.00 N ATOM 67 CA PRO A 8 -15.426 16.742 6.289 1.00 0.00 C ATOM 68 C PRO A 8 -14.937 16.909 4.854 1.00 0.00 C ATOM 69 O PRO A 8 -15.496 17.691 4.085 1.00 0.00 O ATOM 70 CB PRO A 8 -16.393 15.560 6.390 1.00 0.00 C ATOM 71 CG PRO A 8 -17.748 16.167 6.266 1.00 0.00 C ATOM 72 CD PRO A 8 -17.653 17.526 6.902 1.00 0.00 C ATOM 0 HA PRO A 8 -14.521 16.623 6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.212 14.832 5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.279 15.036 7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.046 16.245 5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.498 15.554 6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -18.306 18.247 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.943 17.499 7.953 1.00 0.00 H new ATOM 80 N ALA A 9 -13.891 16.170 4.500 1.00 0.00 N ATOM 81 CA ALA A 9 -13.330 16.234 3.156 1.00 0.00 C ATOM 82 C ALA A 9 -13.899 15.132 2.269 1.00 0.00 C ATOM 83 O ALA A 9 -14.170 14.025 2.735 1.00 0.00 O ATOM 84 CB ALA A 9 -11.812 16.137 3.214 1.00 0.00 C ATOM 0 H ALA A 9 -13.415 15.520 5.125 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.606 17.193 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.405 16.186 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.417 16.963 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.525 15.192 3.675 1.00 0.00 H new ATOM 90 N ARG A 10 -14.079 15.443 0.990 1.00 0.00 N ATOM 91 CA ARG A 10 -14.618 14.479 0.038 1.00 0.00 C ATOM 92 C ARG A 10 -13.582 14.127 -1.025 1.00 0.00 C ATOM 93 O ARG A 10 -13.016 15.009 -1.672 1.00 0.00 O ATOM 94 CB ARG A 10 -15.878 15.036 -0.627 1.00 0.00 C ATOM 95 CG ARG A 10 -15.687 16.418 -1.230 1.00 0.00 C ATOM 96 CD ARG A 10 -16.880 16.823 -2.083 1.00 0.00 C ATOM 97 NE ARG A 10 -16.515 17.798 -3.107 1.00 0.00 N ATOM 98 CZ ARG A 10 -16.302 19.085 -2.854 1.00 0.00 C ATOM 99 NH1 ARG A 10 -16.416 19.548 -1.617 1.00 0.00 N ATOM 100 NH2 ARG A 10 -15.972 19.910 -3.839 1.00 0.00 N ATOM 0 H ARG A 10 -13.860 16.355 0.589 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.875 13.572 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.200 14.349 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.680 15.078 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.544 17.147 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.783 16.429 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.302 15.938 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.657 17.242 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.418 17.473 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.668 18.916 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.252 20.536 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.882 19.557 -4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.809 20.898 -3.644 1.00 0.00 H new ATOM 114 N PHE A 11 -13.338 12.832 -1.201 1.00 0.00 N ATOM 115 CA PHE A 11 -12.369 12.363 -2.185 1.00 0.00 C ATOM 116 C PHE A 11 -12.730 12.860 -3.582 1.00 0.00 C ATOM 117 O PHE A 11 -13.620 12.315 -4.235 1.00 0.00 O ATOM 118 CB PHE A 11 -12.301 10.835 -2.176 1.00 0.00 C ATOM 119 CG PHE A 11 -11.711 10.268 -0.916 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.338 10.244 -0.729 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.529 9.761 0.080 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.793 9.722 0.429 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.989 9.238 1.240 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.619 9.220 1.415 1.00 0.00 C ATOM 0 H PHE A 11 -13.798 12.089 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.392 12.764 -1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.306 10.434 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.708 10.501 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.687 10.637 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.601 9.774 -0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.721 9.707 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.637 8.844 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.195 8.814 2.321 1.00 0.00 H new ATOM 134 N ILE A 12 -12.032 13.896 -4.033 1.00 0.00 N ATOM 135 CA ILE A 12 -12.277 14.466 -5.352 1.00 0.00 C ATOM 136 C ILE A 12 -11.848 13.504 -6.455 1.00 0.00 C ATOM 137 O ILE A 12 -12.440 13.477 -7.533 1.00 0.00 O ATOM 138 CB ILE A 12 -11.534 15.803 -5.535 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.022 15.588 -5.442 1.00 0.00 C ATOM 140 CG2 ILE A 12 -11.997 16.812 -4.495 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.214 16.786 -5.889 1.00 0.00 C ATOM 0 H ILE A 12 -11.292 14.358 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.350 14.643 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.765 16.198 -6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.760 15.347 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.747 14.727 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.463 17.752 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.068 16.983 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.792 16.426 -3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.151 16.563 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.448 17.015 -6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.460 17.645 -5.264 1.00 0.00 H new ATOM 153 N GLU A 13 -10.816 12.714 -6.175 1.00 0.00 N ATOM 154 CA GLU A 13 -10.308 11.750 -7.144 1.00 0.00 C ATOM 155 C GLU A 13 -10.265 10.347 -6.544 1.00 0.00 C ATOM 156 O GLU A 13 -9.781 10.152 -5.429 1.00 0.00 O ATOM 157 CB GLU A 13 -8.912 12.156 -7.619 1.00 0.00 C ATOM 158 CG GLU A 13 -8.925 13.112 -8.800 1.00 0.00 C ATOM 159 CD GLU A 13 -9.539 12.496 -10.042 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.783 12.406 -10.105 1.00 0.00 O ATOM 161 OE2 GLU A 13 -8.777 12.105 -10.950 1.00 0.00 O ATOM 0 H GLU A 13 -10.316 12.723 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.985 11.741 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.377 12.622 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.356 11.260 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.482 14.009 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.904 13.425 -9.021 1.00 0.00 H new ATOM 168 N ASP A 14 -10.775 9.375 -7.291 1.00 0.00 N ATOM 169 CA ASP A 14 -10.795 7.990 -6.834 1.00 0.00 C ATOM 170 C ASP A 14 -9.579 7.229 -7.353 1.00 0.00 C ATOM 171 O ASP A 14 -9.316 7.204 -8.555 1.00 0.00 O ATOM 172 CB ASP A 14 -12.079 7.297 -7.293 1.00 0.00 C ATOM 173 CG ASP A 14 -13.289 8.208 -7.213 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.470 8.863 -6.165 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.053 8.266 -8.198 1.00 0.00 O ATOM 0 H ASP A 14 -11.180 9.520 -8.216 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.762 7.993 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.955 6.952 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.252 6.414 -6.678 1.00 0.00 H new ATOM 180 N VAL A 15 -8.839 6.610 -6.437 1.00 0.00 N ATOM 181 CA VAL A 15 -7.651 5.849 -6.802 1.00 0.00 C ATOM 182 C VAL A 15 -7.915 4.965 -8.016 1.00 0.00 C ATOM 183 O VAL A 15 -9.063 4.650 -8.330 1.00 0.00 O ATOM 184 CB VAL A 15 -7.169 4.967 -5.635 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.918 5.813 -4.395 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.180 3.869 -5.344 1.00 0.00 C ATOM 0 H VAL A 15 -9.042 6.621 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.874 6.574 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.229 4.497 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.578 5.173 -3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.154 6.560 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.841 6.313 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.823 3.256 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.137 4.317 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.306 3.246 -6.230 1.00 0.00 H new ATOM 196 N LYS A 16 -6.845 4.567 -8.696 1.00 0.00 N ATOM 197 CA LYS A 16 -6.960 3.718 -9.875 1.00 0.00 C ATOM 198 C LYS A 16 -6.719 2.255 -9.517 1.00 0.00 C ATOM 199 O LYS A 16 -5.952 1.947 -8.606 1.00 0.00 O ATOM 200 CB LYS A 16 -5.963 4.162 -10.948 1.00 0.00 C ATOM 201 CG LYS A 16 -5.861 5.670 -11.096 1.00 0.00 C ATOM 202 CD LYS A 16 -7.192 6.282 -11.499 1.00 0.00 C ATOM 203 CE LYS A 16 -7.146 7.802 -11.448 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.463 8.320 -10.088 1.00 0.00 N ATOM 0 H LYS A 16 -5.888 4.819 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.973 3.817 -10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.979 3.762 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.256 3.730 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.529 6.107 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.106 5.913 -11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.452 5.959 -12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.977 5.918 -10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.156 8.146 -11.746 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.855 8.211 -12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.897 9.262 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.125 7.672 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.588 8.388 -9.530 1.00 0.00 H new ATOM 218 N ASN A 17 -7.378 1.356 -10.243 1.00 0.00 N ATOM 219 CA ASN A 17 -7.234 -0.075 -10.002 1.00 0.00 C ATOM 220 C ASN A 17 -5.772 -0.442 -9.766 1.00 0.00 C ATOM 221 O ASN A 17 -4.866 0.278 -10.184 1.00 0.00 O ATOM 222 CB ASN A 17 -7.787 -0.870 -11.186 1.00 0.00 C ATOM 223 CG ASN A 17 -7.303 -0.334 -12.519 1.00 0.00 C ATOM 224 OD1 ASN A 17 -7.879 0.606 -13.068 1.00 0.00 O ATOM 225 ND2 ASN A 17 -6.240 -0.930 -13.046 1.00 0.00 N ATOM 0 H ASN A 17 -8.016 1.594 -11.002 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.802 -0.327 -9.107 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.491 -1.915 -11.089 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.876 -0.844 -11.161 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.869 -0.612 -13.941 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.795 -1.706 -12.556 1.00 0.00 H new ATOM 232 N GLN A 18 -5.552 -1.568 -9.093 1.00 0.00 N ATOM 233 CA GLN A 18 -4.200 -2.031 -8.802 1.00 0.00 C ATOM 234 C GLN A 18 -3.924 -3.368 -9.482 1.00 0.00 C ATOM 235 O GLN A 18 -4.556 -4.376 -9.167 1.00 0.00 O ATOM 236 CB GLN A 18 -3.998 -2.162 -7.291 1.00 0.00 C ATOM 237 CG GLN A 18 -2.564 -1.923 -6.846 1.00 0.00 C ATOM 238 CD GLN A 18 -2.015 -0.596 -7.332 1.00 0.00 C ATOM 239 OE1 GLN A 18 -0.921 -0.532 -7.892 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.775 0.472 -7.120 1.00 0.00 N ATOM 0 H GLN A 18 -6.292 -2.175 -8.740 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.498 -1.294 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.650 -1.452 -6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.306 -3.159 -6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.515 -1.955 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.933 -2.731 -7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.676 0.372 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.458 1.392 -7.426 1.00 0.00 H new ATOM 249 N GLU A 19 -2.978 -3.368 -10.415 1.00 0.00 N ATOM 250 CA GLU A 19 -2.620 -4.581 -11.139 1.00 0.00 C ATOM 251 C GLU A 19 -1.126 -4.867 -11.019 1.00 0.00 C ATOM 252 O GLU A 19 -0.305 -4.220 -11.669 1.00 0.00 O ATOM 253 CB GLU A 19 -3.009 -4.455 -12.614 1.00 0.00 C ATOM 254 CG GLU A 19 -2.772 -5.723 -13.416 1.00 0.00 C ATOM 255 CD GLU A 19 -3.220 -5.593 -14.859 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.520 -4.914 -15.639 1.00 0.00 O ATOM 257 OE2 GLU A 19 -4.271 -6.170 -15.208 1.00 0.00 O ATOM 0 H GLU A 19 -2.446 -2.542 -10.687 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.168 -5.412 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.063 -4.184 -12.681 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.441 -3.640 -13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.711 -5.972 -13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.305 -6.550 -12.947 1.00 0.00 H new ATOM 264 N ALA A 20 -0.781 -5.840 -10.182 1.00 0.00 N ATOM 265 CA ALA A 20 0.614 -6.212 -9.976 1.00 0.00 C ATOM 266 C ALA A 20 0.760 -7.721 -9.814 1.00 0.00 C ATOM 267 O ALA A 20 -0.170 -8.402 -9.382 1.00 0.00 O ATOM 268 CB ALA A 20 1.179 -5.491 -8.762 1.00 0.00 C ATOM 0 H ALA A 20 -1.448 -6.385 -9.636 1.00 0.00 H new ATOM 0 HA ALA A 20 1.179 -5.911 -10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.221 -5.778 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.118 -4.414 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.604 -5.763 -7.877 1.00 0.00 H new ATOM 274 N ARG A 21 1.934 -8.238 -10.163 1.00 0.00 N ATOM 275 CA ARG A 21 2.201 -9.667 -10.057 1.00 0.00 C ATOM 276 C ARG A 21 2.692 -10.026 -8.658 1.00 0.00 C ATOM 277 O ARG A 21 3.221 -9.179 -7.939 1.00 0.00 O ATOM 278 CB ARG A 21 3.239 -10.092 -11.098 1.00 0.00 C ATOM 279 CG ARG A 21 4.569 -9.368 -10.963 1.00 0.00 C ATOM 280 CD ARG A 21 5.693 -10.137 -11.639 1.00 0.00 C ATOM 281 NE ARG A 21 6.717 -9.247 -12.179 1.00 0.00 N ATOM 282 CZ ARG A 21 7.579 -9.605 -13.124 1.00 0.00 C ATOM 283 NH1 ARG A 21 7.539 -10.830 -13.632 1.00 0.00 N ATOM 284 NH2 ARG A 21 8.482 -8.739 -13.564 1.00 0.00 N ATOM 0 H ARG A 21 2.715 -7.688 -10.521 1.00 0.00 H new ATOM 0 HA ARG A 21 1.269 -10.200 -10.244 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.409 -11.165 -11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.836 -9.912 -12.095 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.490 -8.374 -11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.804 -9.231 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.148 -10.820 -10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.282 -10.747 -12.443 1.00 0.00 H new ATOM 0 HE ARG A 21 6.773 -8.298 -11.810 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.845 -11.499 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.202 -11.103 -14.358 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.515 -7.796 -13.177 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.143 -9.016 -14.290 1.00 0.00 H new ATOM 298 N GLU A 22 2.512 -11.288 -8.278 1.00 0.00 N ATOM 299 CA GLU A 22 2.935 -11.758 -6.964 1.00 0.00 C ATOM 300 C GLU A 22 4.397 -11.404 -6.705 1.00 0.00 C ATOM 301 O GLU A 22 5.258 -11.615 -7.557 1.00 0.00 O ATOM 302 CB GLU A 22 2.737 -13.271 -6.851 1.00 0.00 C ATOM 303 CG GLU A 22 1.357 -13.669 -6.355 1.00 0.00 C ATOM 304 CD GLU A 22 1.180 -15.172 -6.267 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.034 -15.834 -5.640 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.189 -15.687 -6.824 1.00 0.00 O ATOM 0 H GLU A 22 2.076 -12.002 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 22 2.320 -11.262 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.908 -13.725 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.488 -13.678 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.187 -13.229 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.602 -13.256 -7.024 1.00 0.00 H new ATOM 313 N GLY A 23 4.667 -10.863 -5.521 1.00 0.00 N ATOM 314 CA GLY A 23 6.025 -10.488 -5.170 1.00 0.00 C ATOM 315 C GLY A 23 6.337 -9.046 -5.520 1.00 0.00 C ATOM 316 O GLY A 23 7.489 -8.698 -5.775 1.00 0.00 O ATOM 0 H GLY A 23 3.971 -10.678 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.176 -10.640 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.725 -11.144 -5.687 1.00 0.00 H new ATOM 320 N ALA A 24 5.307 -8.206 -5.535 1.00 0.00 N ATOM 321 CA ALA A 24 5.477 -6.795 -5.857 1.00 0.00 C ATOM 322 C ALA A 24 4.908 -5.908 -4.755 1.00 0.00 C ATOM 323 O ALA A 24 4.385 -6.401 -3.754 1.00 0.00 O ATOM 324 CB ALA A 24 4.815 -6.474 -7.189 1.00 0.00 C ATOM 0 H ALA A 24 4.346 -8.479 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 24 6.545 -6.592 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.950 -5.417 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.270 -7.076 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.750 -6.699 -7.130 1.00 0.00 H new ATOM 330 N THR A 25 5.012 -4.596 -4.943 1.00 0.00 N ATOM 331 CA THR A 25 4.510 -3.641 -3.964 1.00 0.00 C ATOM 332 C THR A 25 3.444 -2.738 -4.574 1.00 0.00 C ATOM 333 O THR A 25 3.752 -1.835 -5.352 1.00 0.00 O ATOM 334 CB THR A 25 5.645 -2.766 -3.399 1.00 0.00 C ATOM 335 OG1 THR A 25 6.648 -3.594 -2.798 1.00 0.00 O ATOM 336 CG2 THR A 25 5.109 -1.782 -2.370 1.00 0.00 C ATOM 0 H THR A 25 5.440 -4.171 -5.765 1.00 0.00 H new ATOM 0 HA THR A 25 4.071 -4.222 -3.153 1.00 0.00 H new ATOM 0 HB THR A 25 6.084 -2.202 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.367 -3.031 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.929 -1.175 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.367 -1.135 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.647 -2.330 -1.549 1.00 0.00 H new ATOM 344 N ALA A 26 2.189 -2.986 -4.215 1.00 0.00 N ATOM 345 CA ALA A 26 1.077 -2.193 -4.725 1.00 0.00 C ATOM 346 C ALA A 26 1.175 -0.745 -4.257 1.00 0.00 C ATOM 347 O ALA A 26 1.785 -0.455 -3.228 1.00 0.00 O ATOM 348 CB ALA A 26 -0.248 -2.802 -4.291 1.00 0.00 C ATOM 0 H ALA A 26 1.917 -3.730 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 26 1.128 -2.199 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.070 -2.200 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.327 -3.817 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.298 -2.826 -3.202 1.00 0.00 H new ATOM 354 N VAL A 27 0.572 0.161 -5.021 1.00 0.00 N ATOM 355 CA VAL A 27 0.592 1.579 -4.684 1.00 0.00 C ATOM 356 C VAL A 27 -0.759 2.229 -4.962 1.00 0.00 C ATOM 357 O VAL A 27 -1.192 2.320 -6.112 1.00 0.00 O ATOM 358 CB VAL A 27 1.682 2.328 -5.473 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.696 3.802 -5.097 1.00 0.00 C ATOM 360 CG2 VAL A 27 3.044 1.695 -5.233 1.00 0.00 C ATOM 0 H VAL A 27 0.064 -0.062 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 27 0.813 1.648 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 27 1.454 2.251 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.473 4.315 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.727 4.245 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.899 3.904 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.802 2.237 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.283 1.739 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.024 0.655 -5.558 1.00 0.00 H new ATOM 370 N LEU A 28 -1.422 2.679 -3.902 1.00 0.00 N ATOM 371 CA LEU A 28 -2.725 3.322 -4.032 1.00 0.00 C ATOM 372 C LEU A 28 -2.653 4.788 -3.615 1.00 0.00 C ATOM 373 O LEU A 28 -2.416 5.100 -2.449 1.00 0.00 O ATOM 374 CB LEU A 28 -3.764 2.589 -3.181 1.00 0.00 C ATOM 375 CG LEU A 28 -4.205 1.218 -3.695 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.614 0.320 -2.537 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.348 1.363 -4.689 1.00 0.00 C ATOM 0 H LEU A 28 -1.079 2.611 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.023 3.275 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.360 2.465 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.646 3.223 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.361 0.755 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.925 -0.651 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.768 0.189 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.442 0.778 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.649 0.377 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.195 1.847 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.021 1.969 -5.534 1.00 0.00 H new ATOM 389 N GLN A 29 -2.862 5.681 -4.577 1.00 0.00 N ATOM 390 CA GLN A 29 -2.822 7.114 -4.309 1.00 0.00 C ATOM 391 C GLN A 29 -4.182 7.754 -4.567 1.00 0.00 C ATOM 392 O GLN A 29 -4.889 7.376 -5.502 1.00 0.00 O ATOM 393 CB GLN A 29 -1.755 7.787 -5.175 1.00 0.00 C ATOM 394 CG GLN A 29 -0.334 7.396 -4.802 1.00 0.00 C ATOM 395 CD GLN A 29 0.708 8.193 -5.562 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.632 9.419 -5.643 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.690 7.498 -6.125 1.00 0.00 N ATOM 0 H GLN A 29 -3.060 5.438 -5.548 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.568 7.255 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.931 7.530 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.859 8.869 -5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.190 7.543 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.189 6.334 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.714 6.482 -6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.420 7.980 -6.650 1.00 0.00 H new ATOM 406 N CYS A 30 -4.542 8.724 -3.733 1.00 0.00 N ATOM 407 CA CYS A 30 -5.818 9.416 -3.871 1.00 0.00 C ATOM 408 C CYS A 30 -5.662 10.907 -3.588 1.00 0.00 C ATOM 409 O CYS A 30 -4.605 11.356 -3.147 1.00 0.00 O ATOM 410 CB CYS A 30 -6.855 8.811 -2.923 1.00 0.00 C ATOM 411 SG CYS A 30 -6.771 9.448 -1.233 1.00 0.00 S ATOM 0 H CYS A 30 -3.968 9.049 -2.955 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.160 9.294 -4.899 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.851 9.001 -3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.722 7.729 -2.899 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.927 9.937 -0.896 1.00 0.00 H new ATOM 417 N GLU A 31 -6.720 11.667 -3.848 1.00 0.00 N ATOM 418 CA GLU A 31 -6.699 13.108 -3.623 1.00 0.00 C ATOM 419 C GLU A 31 -7.945 13.560 -2.867 1.00 0.00 C ATOM 420 O GLU A 31 -8.990 12.910 -2.925 1.00 0.00 O ATOM 421 CB GLU A 31 -6.599 13.853 -4.957 1.00 0.00 C ATOM 422 CG GLU A 31 -6.000 15.244 -4.833 1.00 0.00 C ATOM 423 CD GLU A 31 -5.404 15.739 -6.136 1.00 0.00 C ATOM 424 OE1 GLU A 31 -6.164 15.898 -7.115 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.177 15.969 -6.177 1.00 0.00 O ATOM 0 H GLU A 31 -7.602 11.310 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.824 13.343 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.993 13.266 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.594 13.933 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.771 15.940 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.228 15.236 -4.064 1.00 0.00 H new ATOM 432 N LEU A 32 -7.827 14.677 -2.158 1.00 0.00 N ATOM 433 CA LEU A 32 -8.943 15.217 -1.390 1.00 0.00 C ATOM 434 C LEU A 32 -9.130 16.704 -1.673 1.00 0.00 C ATOM 435 O LEU A 32 -8.168 17.420 -1.946 1.00 0.00 O ATOM 436 CB LEU A 32 -8.711 14.996 0.106 1.00 0.00 C ATOM 437 CG LEU A 32 -8.631 13.540 0.565 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.722 13.412 1.778 1.00 0.00 C ATOM 439 CD2 LEU A 32 -10.019 13.002 0.878 1.00 0.00 C ATOM 0 H LEU A 32 -6.970 15.226 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.849 14.692 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.784 15.496 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.516 15.485 0.654 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.208 12.947 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.677 12.369 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.721 13.757 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.116 14.019 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.942 11.964 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.470 13.598 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.641 13.057 -0.016 1.00 0.00 H new ATOM 451 N ASN A 33 -10.376 17.161 -1.604 1.00 0.00 N ATOM 452 CA ASN A 33 -10.690 18.564 -1.851 1.00 0.00 C ATOM 453 C ASN A 33 -10.045 19.460 -0.798 1.00 0.00 C ATOM 454 O ASN A 33 -9.865 20.658 -1.014 1.00 0.00 O ATOM 455 CB ASN A 33 -12.205 18.776 -1.859 1.00 0.00 C ATOM 456 CG ASN A 33 -12.749 19.109 -0.483 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.606 18.176 0.452 1.00 0.00 O flip ATOM 458 ND2 ASN A 33 -13.290 20.193 -0.263 1.00 0.00 N flip ATOM 0 H ASN A 33 -11.184 16.581 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.287 18.834 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.453 19.582 -2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.693 17.876 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.378 20.880 -1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.650 20.404 0.668 1.00 0.00 H new ATOM 465 N SER A 34 -9.699 18.869 0.342 1.00 0.00 N ATOM 466 CA SER A 34 -9.077 19.614 1.430 1.00 0.00 C ATOM 467 C SER A 34 -8.277 18.684 2.337 1.00 0.00 C ATOM 468 O SER A 34 -8.692 17.558 2.610 1.00 0.00 O ATOM 469 CB SER A 34 -10.142 20.349 2.247 1.00 0.00 C ATOM 470 OG SER A 34 -9.550 21.289 3.127 1.00 0.00 O ATOM 0 H SER A 34 -9.839 17.877 0.535 1.00 0.00 H new ATOM 0 HA SER A 34 -8.395 20.344 0.994 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.832 20.859 1.575 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.727 19.629 2.819 1.00 0.00 H new ATOM 0 HG SER A 34 -10.251 21.747 3.636 1.00 0.00 H new ATOM 476 N ALA A 35 -7.128 19.164 2.800 1.00 0.00 N ATOM 477 CA ALA A 35 -6.269 18.378 3.677 1.00 0.00 C ATOM 478 C ALA A 35 -7.094 17.585 4.686 1.00 0.00 C ATOM 479 O ALA A 35 -7.680 18.155 5.606 1.00 0.00 O ATOM 480 CB ALA A 35 -5.279 19.282 4.396 1.00 0.00 C ATOM 0 H ALA A 35 -6.770 20.094 2.582 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.715 17.669 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.644 18.681 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.660 19.800 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.822 20.014 4.994 1.00 0.00 H new ATOM 486 N ALA A 36 -7.136 16.269 4.506 1.00 0.00 N ATOM 487 CA ALA A 36 -7.888 15.399 5.402 1.00 0.00 C ATOM 488 C ALA A 36 -7.237 14.024 5.506 1.00 0.00 C ATOM 489 O ALA A 36 -6.601 13.539 4.570 1.00 0.00 O ATOM 490 CB ALA A 36 -9.327 15.269 4.925 1.00 0.00 C ATOM 0 H ALA A 36 -6.658 15.782 3.748 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.885 15.850 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.877 14.617 5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.795 16.253 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.341 14.844 3.921 1.00 0.00 H new ATOM 496 N PRO A 37 -7.396 13.380 6.671 1.00 0.00 N ATOM 497 CA PRO A 37 -6.831 12.052 6.926 1.00 0.00 C ATOM 498 C PRO A 37 -7.524 10.962 6.116 1.00 0.00 C ATOM 499 O PRO A 37 -8.492 11.225 5.402 1.00 0.00 O ATOM 500 CB PRO A 37 -7.075 11.843 8.422 1.00 0.00 C ATOM 501 CG PRO A 37 -8.248 12.705 8.739 1.00 0.00 C ATOM 502 CD PRO A 37 -8.142 13.898 7.831 1.00 0.00 C ATOM 0 HA PRO A 37 -5.781 11.995 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.281 10.796 8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.203 12.130 9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.182 12.169 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.237 13.009 9.786 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.124 14.272 7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.616 14.723 8.311 1.00 0.00 H new ATOM 510 N VAL A 38 -7.024 9.736 6.231 1.00 0.00 N ATOM 511 CA VAL A 38 -7.596 8.605 5.510 1.00 0.00 C ATOM 512 C VAL A 38 -7.305 7.292 6.228 1.00 0.00 C ATOM 513 O VAL A 38 -6.382 7.207 7.037 1.00 0.00 O ATOM 514 CB VAL A 38 -7.053 8.523 4.072 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.540 9.705 3.248 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.533 8.458 4.080 1.00 0.00 C ATOM 0 H VAL A 38 -6.223 9.500 6.817 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.674 8.765 5.474 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.431 7.610 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.146 9.629 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.629 9.701 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.194 10.633 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.166 8.400 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.133 9.352 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.209 7.575 4.631 1.00 0.00 H new ATOM 526 N GLU A 39 -8.099 6.269 5.925 1.00 0.00 N ATOM 527 CA GLU A 39 -7.926 4.960 6.542 1.00 0.00 C ATOM 528 C GLU A 39 -8.015 3.850 5.497 1.00 0.00 C ATOM 529 O GLU A 39 -9.079 3.273 5.279 1.00 0.00 O ATOM 530 CB GLU A 39 -8.982 4.739 7.627 1.00 0.00 C ATOM 531 CG GLU A 39 -8.957 3.343 8.226 1.00 0.00 C ATOM 532 CD GLU A 39 -9.959 3.172 9.351 1.00 0.00 C ATOM 533 OE1 GLU A 39 -9.631 3.543 10.498 1.00 0.00 O ATOM 534 OE2 GLU A 39 -11.070 2.668 9.085 1.00 0.00 O ATOM 0 H GLU A 39 -8.868 6.322 5.256 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.936 4.929 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.832 5.469 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.969 4.926 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.166 2.613 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.956 3.131 8.601 1.00 0.00 H new ATOM 541 N TRP A 40 -6.889 3.559 4.856 1.00 0.00 N ATOM 542 CA TRP A 40 -6.838 2.520 3.834 1.00 0.00 C ATOM 543 C TRP A 40 -7.399 1.206 4.366 1.00 0.00 C ATOM 544 O TRP A 40 -6.874 0.639 5.325 1.00 0.00 O ATOM 545 CB TRP A 40 -5.401 2.318 3.353 1.00 0.00 C ATOM 546 CG TRP A 40 -4.842 3.509 2.635 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.059 4.494 3.167 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.024 3.841 1.254 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.744 5.418 2.201 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.323 5.040 1.018 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.709 3.242 0.194 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.291 5.649 -0.234 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.676 3.847 -1.047 1.00 0.00 C ATOM 554 CH2 TRP A 40 -4.971 5.040 -1.253 1.00 0.00 C ATOM 0 H TRP A 40 -5.999 4.028 5.026 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.452 2.842 2.993 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.767 2.089 4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.365 1.453 2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.735 4.539 4.196 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.172 6.251 2.341 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.255 2.322 0.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.749 6.569 -0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.203 3.393 -1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.964 5.488 -2.236 1.00 0.00 H new ATOM 565 N ARG A 41 -8.467 0.725 3.738 1.00 0.00 N ATOM 566 CA ARG A 41 -9.099 -0.522 4.150 1.00 0.00 C ATOM 567 C ARG A 41 -8.804 -1.637 3.151 1.00 0.00 C ATOM 568 O ARG A 41 -8.097 -1.430 2.164 1.00 0.00 O ATOM 569 CB ARG A 41 -10.611 -0.332 4.288 1.00 0.00 C ATOM 570 CG ARG A 41 -11.002 0.711 5.322 1.00 0.00 C ATOM 571 CD ARG A 41 -12.510 0.774 5.506 1.00 0.00 C ATOM 572 NE ARG A 41 -12.890 1.654 6.608 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.110 1.689 7.133 1.00 0.00 C ATOM 574 NH1 ARG A 41 -15.062 0.898 6.659 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.379 2.517 8.134 1.00 0.00 N ATOM 0 H ARG A 41 -8.913 1.180 2.942 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.686 -0.807 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.022 -0.044 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.065 -1.286 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.527 0.476 6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.631 1.688 5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.973 1.126 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.895 -0.229 5.693 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.180 2.276 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.859 0.260 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.998 0.927 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.649 3.127 8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.316 2.543 8.536 1.00 0.00 H new ATOM 589 N LYS A 42 -9.351 -2.819 3.412 1.00 0.00 N ATOM 590 CA LYS A 42 -9.149 -3.967 2.536 1.00 0.00 C ATOM 591 C LYS A 42 -10.124 -5.090 2.877 1.00 0.00 C ATOM 592 O LYS A 42 -10.275 -5.463 4.039 1.00 0.00 O ATOM 593 CB LYS A 42 -7.710 -4.475 2.651 1.00 0.00 C ATOM 594 CG LYS A 42 -7.336 -5.490 1.586 1.00 0.00 C ATOM 595 CD LYS A 42 -7.733 -6.899 1.994 1.00 0.00 C ATOM 596 CE LYS A 42 -7.470 -7.898 0.878 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.200 -9.263 1.408 1.00 0.00 N ATOM 0 H LYS A 42 -9.938 -3.007 4.224 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.335 -3.647 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.028 -3.627 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.570 -4.924 3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.825 -5.231 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.262 -5.451 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.176 -7.192 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.790 -6.918 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.331 -7.931 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.619 -7.564 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.943 -9.895 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.417 -9.222 2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.052 -9.627 1.880 1.00 0.00 H new ATOM 611 N GLY A 43 -10.783 -5.626 1.854 1.00 0.00 N ATOM 612 CA GLY A 43 -11.733 -6.702 2.066 1.00 0.00 C ATOM 613 C GLY A 43 -12.468 -6.575 3.386 1.00 0.00 C ATOM 614 O GLY A 43 -12.502 -7.516 4.178 1.00 0.00 O ATOM 0 H GLY A 43 -10.676 -5.334 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.456 -6.710 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.208 -7.657 2.036 1.00 0.00 H new ATOM 618 N SER A 44 -13.055 -5.406 3.624 1.00 0.00 N ATOM 619 CA SER A 44 -13.788 -5.157 4.860 1.00 0.00 C ATOM 620 C SER A 44 -12.852 -5.200 6.064 1.00 0.00 C ATOM 621 O SER A 44 -13.101 -5.918 7.032 1.00 0.00 O ATOM 622 CB SER A 44 -14.905 -6.188 5.032 1.00 0.00 C ATOM 623 OG SER A 44 -16.108 -5.741 4.431 1.00 0.00 O ATOM 0 H SER A 44 -13.037 -4.617 2.978 1.00 0.00 H new ATOM 0 HA SER A 44 -14.228 -4.162 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.602 -7.135 4.586 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.072 -6.374 6.093 1.00 0.00 H new ATOM 0 HG SER A 44 -16.806 -6.418 4.553 1.00 0.00 H new ATOM 629 N GLU A 45 -11.774 -4.424 5.996 1.00 0.00 N ATOM 630 CA GLU A 45 -10.800 -4.374 7.080 1.00 0.00 C ATOM 631 C GLU A 45 -9.990 -3.082 7.024 1.00 0.00 C ATOM 632 O GLU A 45 -9.844 -2.472 5.964 1.00 0.00 O ATOM 633 CB GLU A 45 -9.862 -5.581 7.009 1.00 0.00 C ATOM 634 CG GLU A 45 -8.539 -5.283 6.323 1.00 0.00 C ATOM 635 CD GLU A 45 -7.748 -6.539 6.013 1.00 0.00 C ATOM 636 OE1 GLU A 45 -7.865 -7.518 6.779 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.011 -6.543 5.004 1.00 0.00 O ATOM 0 H GLU A 45 -11.554 -3.822 5.202 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.344 -4.401 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.665 -5.938 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.363 -6.390 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.728 -4.739 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.942 -4.630 6.960 1.00 0.00 H new ATOM 644 N THR A 46 -9.466 -2.669 8.174 1.00 0.00 N ATOM 645 CA THR A 46 -8.672 -1.449 8.258 1.00 0.00 C ATOM 646 C THR A 46 -7.181 -1.757 8.177 1.00 0.00 C ATOM 647 O THR A 46 -6.690 -2.676 8.833 1.00 0.00 O ATOM 648 CB THR A 46 -8.957 -0.682 9.563 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.338 -0.310 9.621 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.087 0.562 9.660 1.00 0.00 C ATOM 0 H THR A 46 -9.577 -3.162 9.060 1.00 0.00 H new ATOM 0 HA THR A 46 -8.958 -0.826 7.410 1.00 0.00 H new ATOM 0 HB THR A 46 -8.722 -1.337 10.402 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.443 0.609 9.297 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.306 1.087 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.036 0.273 9.645 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.295 1.218 8.815 1.00 0.00 H new ATOM 658 N LEU A 47 -6.465 -0.982 7.370 1.00 0.00 N ATOM 659 CA LEU A 47 -5.028 -1.171 7.205 1.00 0.00 C ATOM 660 C LEU A 47 -4.246 -0.163 8.042 1.00 0.00 C ATOM 661 O LEU A 47 -4.794 0.843 8.492 1.00 0.00 O ATOM 662 CB LEU A 47 -4.642 -1.035 5.731 1.00 0.00 C ATOM 663 CG LEU A 47 -5.505 -1.813 4.737 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.211 -1.368 3.312 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.276 -3.309 4.889 1.00 0.00 C ATOM 0 H LEU A 47 -6.856 -0.217 6.820 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.777 -2.174 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.677 0.021 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.608 -1.359 5.615 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.553 -1.603 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.834 -1.933 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.427 -0.304 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.160 -1.548 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.898 -3.847 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.227 -3.537 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.538 -3.616 5.901 1.00 0.00 H new ATOM 677 N ARG A 48 -2.962 -0.440 8.245 1.00 0.00 N ATOM 678 CA ARG A 48 -2.105 0.442 9.027 1.00 0.00 C ATOM 679 C ARG A 48 -0.674 0.420 8.496 1.00 0.00 C ATOM 680 O ARG A 48 -0.274 -0.513 7.801 1.00 0.00 O ATOM 681 CB ARG A 48 -2.120 0.029 10.500 1.00 0.00 C ATOM 682 CG ARG A 48 -3.456 0.266 11.185 1.00 0.00 C ATOM 683 CD ARG A 48 -3.683 1.742 11.470 1.00 0.00 C ATOM 684 NE ARG A 48 -3.044 2.164 12.714 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.521 1.875 13.919 1.00 0.00 C ATOM 686 NH1 ARG A 48 -4.635 1.166 14.043 1.00 0.00 N ATOM 687 NH2 ARG A 48 -2.883 2.294 15.005 1.00 0.00 N ATOM 0 H ARG A 48 -2.493 -1.268 7.879 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.492 1.457 8.938 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.865 -1.028 10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.345 0.582 11.032 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.261 -0.112 10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.492 -0.295 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.293 2.335 10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.753 1.940 11.527 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.185 2.710 12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.128 0.841 13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.999 0.946 14.970 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.025 2.839 14.914 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.250 2.071 15.930 1.00 0.00 H new ATOM 701 N ASP A 49 0.090 1.455 8.829 1.00 0.00 N ATOM 702 CA ASP A 49 1.476 1.555 8.386 1.00 0.00 C ATOM 703 C ASP A 49 2.389 0.703 9.263 1.00 0.00 C ATOM 704 O ASP A 49 2.146 0.544 10.459 1.00 0.00 O ATOM 705 CB ASP A 49 1.938 3.012 8.412 1.00 0.00 C ATOM 706 CG ASP A 49 2.554 3.401 9.742 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.823 3.411 10.754 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.767 3.695 9.770 1.00 0.00 O ATOM 0 H ASP A 49 -0.227 2.236 9.404 1.00 0.00 H new ATOM 0 HA ASP A 49 1.533 1.182 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.666 3.173 7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.089 3.663 8.204 1.00 0.00 H new ATOM 713 N GLY A 50 3.440 0.157 8.659 1.00 0.00 N ATOM 714 CA GLY A 50 4.372 -0.673 9.399 1.00 0.00 C ATOM 715 C GLY A 50 5.620 -0.996 8.602 1.00 0.00 C ATOM 716 O GLY A 50 6.238 -0.108 8.015 1.00 0.00 O ATOM 0 H GLY A 50 3.662 0.275 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.655 -0.164 10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.878 -1.601 9.687 1.00 0.00 H new ATOM 720 N ASP A 51 5.993 -2.271 8.581 1.00 0.00 N ATOM 721 CA ASP A 51 7.176 -2.710 7.850 1.00 0.00 C ATOM 722 C ASP A 51 6.827 -3.049 6.405 1.00 0.00 C ATOM 723 O ASP A 51 7.540 -2.667 5.477 1.00 0.00 O ATOM 724 CB ASP A 51 7.804 -3.925 8.535 1.00 0.00 C ATOM 725 CG ASP A 51 9.306 -3.987 8.343 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.748 -4.359 7.235 1.00 0.00 O ATOM 727 OD2 ASP A 51 10.040 -3.662 9.299 1.00 0.00 O ATOM 0 H ASP A 51 5.493 -3.019 9.062 1.00 0.00 H new ATOM 0 HA ASP A 51 7.896 -1.892 7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.578 -3.894 9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.352 -4.835 8.140 1.00 0.00 H new ATOM 732 N ARG A 52 5.726 -3.771 6.221 1.00 0.00 N ATOM 733 CA ARG A 52 5.283 -4.164 4.889 1.00 0.00 C ATOM 734 C ARG A 52 4.393 -3.088 4.272 1.00 0.00 C ATOM 735 O ARG A 52 4.465 -2.822 3.072 1.00 0.00 O ATOM 736 CB ARG A 52 4.528 -5.492 4.950 1.00 0.00 C ATOM 737 CG ARG A 52 5.438 -6.707 5.026 1.00 0.00 C ATOM 738 CD ARG A 52 4.683 -7.989 4.711 1.00 0.00 C ATOM 739 NE ARG A 52 5.246 -9.142 5.409 1.00 0.00 N ATOM 740 CZ ARG A 52 4.967 -10.401 5.092 1.00 0.00 C ATOM 741 NH1 ARG A 52 4.136 -10.669 4.094 1.00 0.00 N ATOM 742 NH2 ARG A 52 5.519 -11.396 5.774 1.00 0.00 N ATOM 0 H ARG A 52 5.125 -4.096 6.978 1.00 0.00 H new ATOM 0 HA ARG A 52 6.166 -4.285 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.870 -5.487 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.892 -5.579 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.264 -6.588 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.873 -6.775 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.636 -7.871 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.707 -8.169 3.636 1.00 0.00 H new ATOM 0 HE ARG A 52 5.889 -8.971 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.709 -9.907 3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.924 -11.637 3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.158 -11.194 6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.304 -12.363 5.530 1.00 0.00 H new ATOM 756 N TYR A 53 3.555 -2.475 5.101 1.00 0.00 N ATOM 757 CA TYR A 53 2.649 -1.431 4.637 1.00 0.00 C ATOM 758 C TYR A 53 3.278 -0.051 4.802 1.00 0.00 C ATOM 759 O TYR A 53 4.196 0.134 5.601 1.00 0.00 O ATOM 760 CB TYR A 53 1.327 -1.496 5.403 1.00 0.00 C ATOM 761 CG TYR A 53 0.490 -2.709 5.064 1.00 0.00 C ATOM 762 CD1 TYR A 53 0.745 -3.940 5.654 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.557 -2.622 4.155 1.00 0.00 C ATOM 764 CE1 TYR A 53 -0.017 -5.051 5.347 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.325 -3.727 3.842 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.051 -4.939 4.441 1.00 0.00 C ATOM 767 OH TYR A 53 -1.813 -6.043 4.133 1.00 0.00 O ATOM 0 H TYR A 53 3.484 -2.683 6.097 1.00 0.00 H new ATOM 0 HA TYR A 53 2.456 -1.598 3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.536 -1.497 6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.750 -0.596 5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.553 -4.031 6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.774 -1.674 3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.196 -6.001 5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.135 -3.642 3.133 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.500 -5.794 3.480 1.00 0.00 H new ATOM 777 N SER A 54 2.776 0.916 4.040 1.00 0.00 N ATOM 778 CA SER A 54 3.290 2.280 4.099 1.00 0.00 C ATOM 779 C SER A 54 2.199 3.286 3.745 1.00 0.00 C ATOM 780 O SER A 54 1.835 3.441 2.578 1.00 0.00 O ATOM 781 CB SER A 54 4.477 2.441 3.147 1.00 0.00 C ATOM 782 OG SER A 54 5.241 1.250 3.078 1.00 0.00 O ATOM 0 H SER A 54 2.015 0.780 3.375 1.00 0.00 H new ATOM 0 HA SER A 54 3.622 2.474 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.116 2.703 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.109 3.263 3.484 1.00 0.00 H new ATOM 0 HG SER A 54 6.137 1.455 2.738 1.00 0.00 H new ATOM 788 N LEU A 55 1.682 3.969 4.760 1.00 0.00 N ATOM 789 CA LEU A 55 0.632 4.962 4.558 1.00 0.00 C ATOM 790 C LEU A 55 1.199 6.376 4.634 1.00 0.00 C ATOM 791 O LEU A 55 1.478 6.887 5.719 1.00 0.00 O ATOM 792 CB LEU A 55 -0.471 4.786 5.602 1.00 0.00 C ATOM 793 CG LEU A 55 -1.313 3.515 5.482 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.493 2.294 5.870 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.561 3.619 6.346 1.00 0.00 C ATOM 0 H LEU A 55 1.972 3.854 5.731 1.00 0.00 H new ATOM 0 HA LEU A 55 0.210 4.812 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.013 4.802 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.138 5.646 5.545 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.623 3.404 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.108 1.399 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.370 2.210 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.153 2.397 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.148 2.706 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.272 3.755 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.158 4.471 6.021 1.00 0.00 H new ATOM 807 N ARG A 56 1.365 7.005 3.474 1.00 0.00 N ATOM 808 CA ARG A 56 1.897 8.360 3.409 1.00 0.00 C ATOM 809 C ARG A 56 0.818 9.348 2.976 1.00 0.00 C ATOM 810 O ARG A 56 -0.299 8.954 2.643 1.00 0.00 O ATOM 811 CB ARG A 56 3.078 8.422 2.439 1.00 0.00 C ATOM 812 CG ARG A 56 4.260 7.564 2.863 1.00 0.00 C ATOM 813 CD ARG A 56 5.452 7.763 1.940 1.00 0.00 C ATOM 814 NE ARG A 56 6.326 8.839 2.399 1.00 0.00 N ATOM 815 CZ ARG A 56 7.320 9.338 1.673 1.00 0.00 C ATOM 816 NH1 ARG A 56 7.565 8.861 0.461 1.00 0.00 N ATOM 817 NH2 ARG A 56 8.072 10.317 2.160 1.00 0.00 N ATOM 0 H ARG A 56 1.138 6.597 2.567 1.00 0.00 H new ATOM 0 HA ARG A 56 2.240 8.636 4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.744 8.103 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.406 9.457 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.544 7.814 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.968 6.514 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.021 6.835 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.098 7.988 0.934 1.00 0.00 H new ATOM 0 HE ARG A 56 6.164 9.229 3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.989 8.108 0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.329 9.246 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.887 10.687 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.835 10.700 1.602 1.00 0.00 H new ATOM 831 N GLN A 57 1.160 10.632 2.984 1.00 0.00 N ATOM 832 CA GLN A 57 0.220 11.676 2.593 1.00 0.00 C ATOM 833 C GLN A 57 0.924 13.022 2.462 1.00 0.00 C ATOM 834 O GLN A 57 1.761 13.379 3.292 1.00 0.00 O ATOM 835 CB GLN A 57 -0.915 11.777 3.614 1.00 0.00 C ATOM 836 CG GLN A 57 -1.987 12.786 3.233 1.00 0.00 C ATOM 837 CD GLN A 57 -2.782 13.273 4.429 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.243 13.930 5.321 1.00 0.00 O ATOM 839 NE2 GLN A 57 -4.070 12.952 4.455 1.00 0.00 N ATOM 0 H GLN A 57 2.081 10.975 3.257 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.197 11.410 1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.376 10.796 3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.498 12.051 4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.519 13.639 2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.666 12.334 2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.475 12.406 3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.655 13.251 5.235 1.00 0.00 H new ATOM 848 N ASP A 58 0.580 13.765 1.416 1.00 0.00 N ATOM 849 CA ASP A 58 1.178 15.073 1.176 1.00 0.00 C ATOM 850 C ASP A 58 0.106 16.155 1.095 1.00 0.00 C ATOM 851 O ASP A 58 -0.223 16.637 0.012 1.00 0.00 O ATOM 852 CB ASP A 58 2.000 15.053 -0.114 1.00 0.00 C ATOM 853 CG ASP A 58 3.164 16.023 -0.074 1.00 0.00 C ATOM 854 OD1 ASP A 58 2.983 17.145 0.444 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.255 15.662 -0.563 1.00 0.00 O ATOM 0 H ASP A 58 -0.111 13.483 0.720 1.00 0.00 H new ATOM 0 HA ASP A 58 1.837 15.303 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.377 14.045 -0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.354 15.300 -0.957 1.00 0.00 H new ATOM 860 N GLY A 59 -0.437 16.531 2.249 1.00 0.00 N ATOM 861 CA GLY A 59 -1.467 17.552 2.286 1.00 0.00 C ATOM 862 C GLY A 59 -2.852 16.987 2.039 1.00 0.00 C ATOM 863 O GLY A 59 -3.580 16.673 2.981 1.00 0.00 O ATOM 0 H GLY A 59 -0.182 16.147 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.448 18.048 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.249 18.312 1.535 1.00 0.00 H new ATOM 867 N THR A 60 -3.220 16.859 0.768 1.00 0.00 N ATOM 868 CA THR A 60 -4.527 16.332 0.399 1.00 0.00 C ATOM 869 C THR A 60 -4.401 14.970 -0.274 1.00 0.00 C ATOM 870 O THR A 60 -5.341 14.175 -0.273 1.00 0.00 O ATOM 871 CB THR A 60 -5.275 17.292 -0.545 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.476 17.560 -1.703 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.606 18.598 0.162 1.00 0.00 C ATOM 0 H THR A 60 -2.630 17.114 -0.024 1.00 0.00 H new ATOM 0 HA THR A 60 -5.097 16.226 1.322 1.00 0.00 H new ATOM 0 HB THR A 60 -6.207 16.816 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.959 18.170 -2.299 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.134 19.260 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.237 18.394 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.684 19.077 0.491 1.00 0.00 H new ATOM 881 N LYS A 61 -3.233 14.706 -0.850 1.00 0.00 N ATOM 882 CA LYS A 61 -2.982 13.439 -1.527 1.00 0.00 C ATOM 883 C LYS A 61 -2.520 12.376 -0.536 1.00 0.00 C ATOM 884 O LYS A 61 -1.754 12.663 0.385 1.00 0.00 O ATOM 885 CB LYS A 61 -1.929 13.622 -2.622 1.00 0.00 C ATOM 886 CG LYS A 61 -2.479 14.238 -3.897 1.00 0.00 C ATOM 887 CD LYS A 61 -1.530 14.038 -5.067 1.00 0.00 C ATOM 888 CE LYS A 61 -1.775 12.707 -5.761 1.00 0.00 C ATOM 889 NZ LYS A 61 -0.962 12.571 -7.002 1.00 0.00 N ATOM 0 H LYS A 61 -2.445 15.353 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.916 13.107 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.126 14.253 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.489 12.653 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.445 13.791 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.649 15.304 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.656 14.851 -5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.500 14.081 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.535 11.892 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.833 12.615 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.157 11.651 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.209 13.334 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.048 12.633 -6.764 1.00 0.00 H new ATOM 903 N CYS A 62 -2.988 11.148 -0.732 1.00 0.00 N ATOM 904 CA CYS A 62 -2.622 10.041 0.145 1.00 0.00 C ATOM 905 C CYS A 62 -1.867 8.963 -0.627 1.00 0.00 C ATOM 906 O CYS A 62 -1.764 9.021 -1.852 1.00 0.00 O ATOM 907 CB CYS A 62 -3.871 9.442 0.793 1.00 0.00 C ATOM 908 SG CYS A 62 -5.003 10.668 1.488 1.00 0.00 S ATOM 0 H CYS A 62 -3.621 10.894 -1.490 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.968 10.429 0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.405 8.851 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.564 8.757 1.584 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.071 10.740 0.750 1.00 0.00 H new ATOM 914 N GLU A 63 -1.340 7.982 0.099 1.00 0.00 N ATOM 915 CA GLU A 63 -0.593 6.893 -0.518 1.00 0.00 C ATOM 916 C GLU A 63 -0.512 5.690 0.418 1.00 0.00 C ATOM 917 O GLU A 63 -0.273 5.837 1.617 1.00 0.00 O ATOM 918 CB GLU A 63 0.816 7.359 -0.891 1.00 0.00 C ATOM 919 CG GLU A 63 1.742 6.227 -1.302 1.00 0.00 C ATOM 920 CD GLU A 63 3.130 6.714 -1.672 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.260 7.893 -2.064 1.00 0.00 O ATOM 922 OE2 GLU A 63 4.086 5.917 -1.570 1.00 0.00 O ATOM 0 H GLU A 63 -1.417 7.919 1.114 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.120 6.592 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.748 8.076 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.253 7.884 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.818 5.510 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.308 5.698 -2.151 1.00 0.00 H new ATOM 929 N LEU A 64 -0.712 4.501 -0.139 1.00 0.00 N ATOM 930 CA LEU A 64 -0.663 3.271 0.645 1.00 0.00 C ATOM 931 C LEU A 64 0.035 2.159 -0.131 1.00 0.00 C ATOM 932 O LEU A 64 -0.475 1.682 -1.144 1.00 0.00 O ATOM 933 CB LEU A 64 -2.076 2.831 1.030 1.00 0.00 C ATOM 934 CG LEU A 64 -2.183 1.511 1.793 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.399 0.353 0.831 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.938 1.280 2.637 1.00 0.00 C ATOM 0 H LEU A 64 -0.910 4.362 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.092 3.470 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.527 3.616 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.671 2.751 0.120 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.044 1.568 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.473 -0.578 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.320 0.512 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.559 0.293 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.032 0.336 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.061 1.244 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.828 2.094 3.353 1.00 0.00 H new ATOM 948 N GLN A 65 1.204 1.750 0.353 1.00 0.00 N ATOM 949 CA GLN A 65 1.970 0.692 -0.295 1.00 0.00 C ATOM 950 C GLN A 65 1.836 -0.622 0.467 1.00 0.00 C ATOM 951 O GLN A 65 1.791 -0.636 1.697 1.00 0.00 O ATOM 952 CB GLN A 65 3.444 1.089 -0.394 1.00 0.00 C ATOM 953 CG GLN A 65 3.778 1.882 -1.647 1.00 0.00 C ATOM 954 CD GLN A 65 5.251 2.224 -1.747 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.017 1.533 -2.419 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.657 3.296 -1.077 1.00 0.00 N ATOM 0 H GLN A 65 1.641 2.135 1.191 1.00 0.00 H new ATOM 0 HA GLN A 65 1.570 0.551 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.712 1.680 0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.057 0.188 -0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.482 1.308 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.194 2.802 -1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.988 3.840 -0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.638 3.575 -1.107 1.00 0.00 H new ATOM 965 N ILE A 66 1.771 -1.724 -0.272 1.00 0.00 N ATOM 966 CA ILE A 66 1.642 -3.044 0.334 1.00 0.00 C ATOM 967 C ILE A 66 2.776 -3.964 -0.106 1.00 0.00 C ATOM 968 O ILE A 66 2.721 -4.563 -1.180 1.00 0.00 O ATOM 969 CB ILE A 66 0.295 -3.699 -0.025 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.862 -2.758 0.317 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.140 -5.025 0.705 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.105 -3.005 -0.509 1.00 0.00 C ATOM 0 H ILE A 66 1.806 -1.729 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 66 1.691 -2.902 1.414 1.00 0.00 H new ATOM 0 HB ILE A 66 0.276 -3.892 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.109 -2.868 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.537 -1.728 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.817 -5.476 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.949 -5.696 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.176 -4.854 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.884 -2.302 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.873 -2.867 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.454 -4.024 -0.345 1.00 0.00 H new ATOM 984 N ARG A 67 3.801 -4.073 0.733 1.00 0.00 N ATOM 985 CA ARG A 67 4.948 -4.921 0.431 1.00 0.00 C ATOM 986 C ARG A 67 4.628 -6.387 0.707 1.00 0.00 C ATOM 987 O ARG A 67 4.105 -6.730 1.766 1.00 0.00 O ATOM 988 CB ARG A 67 6.160 -4.488 1.257 1.00 0.00 C ATOM 989 CG ARG A 67 6.721 -3.135 0.853 1.00 0.00 C ATOM 990 CD ARG A 67 7.359 -2.421 2.035 1.00 0.00 C ATOM 991 NE ARG A 67 7.539 -0.994 1.780 1.00 0.00 N ATOM 992 CZ ARG A 67 8.523 -0.499 1.037 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.409 -1.312 0.478 1.00 0.00 N ATOM 994 NH2 ARG A 67 8.621 0.811 0.851 1.00 0.00 N ATOM 0 H ARG A 67 3.861 -3.585 1.627 1.00 0.00 H new ATOM 0 HA ARG A 67 5.181 -4.811 -0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.879 -4.455 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.943 -5.240 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.461 -3.268 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.923 -2.517 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.736 -2.556 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.325 -2.875 2.254 1.00 0.00 H new ATOM 0 HE ARG A 67 6.873 -0.342 2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.336 -2.320 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.164 -0.930 -0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.941 1.439 1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.377 1.190 0.280 1.00 0.00 H new ATOM 1008 N GLY A 68 4.945 -7.248 -0.256 1.00 0.00 N ATOM 1009 CA GLY A 68 4.683 -8.667 -0.097 1.00 0.00 C ATOM 1010 C GLY A 68 3.324 -9.069 -0.635 1.00 0.00 C ATOM 1011 O GLY A 68 2.542 -9.722 0.057 1.00 0.00 O ATOM 0 H GLY A 68 5.378 -6.988 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.457 -9.236 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.744 -8.929 0.959 1.00 0.00 H new ATOM 1015 N LEU A 69 3.040 -8.677 -1.872 1.00 0.00 N ATOM 1016 CA LEU A 69 1.764 -8.999 -2.503 1.00 0.00 C ATOM 1017 C LEU A 69 1.597 -10.508 -2.653 1.00 0.00 C ATOM 1018 O LEU A 69 2.575 -11.238 -2.816 1.00 0.00 O ATOM 1019 CB LEU A 69 1.665 -8.325 -3.872 1.00 0.00 C ATOM 1020 CG LEU A 69 1.259 -6.850 -3.866 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.422 -6.246 -5.252 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.174 -6.693 -3.378 1.00 0.00 C ATOM 0 H LEU A 69 3.676 -8.136 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 69 0.965 -8.625 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.631 -8.413 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.944 -8.877 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 69 1.915 -6.315 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.129 -5.197 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.464 -6.325 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.791 -6.783 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.446 -5.637 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.845 -7.242 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.259 -7.087 -2.365 1.00 0.00 H new ATOM 1034 N ALA A 70 0.351 -10.968 -2.600 1.00 0.00 N ATOM 1035 CA ALA A 70 0.056 -12.389 -2.734 1.00 0.00 C ATOM 1036 C ALA A 70 -1.389 -12.611 -3.170 1.00 0.00 C ATOM 1037 O ALA A 70 -2.187 -11.675 -3.203 1.00 0.00 O ATOM 1038 CB ALA A 70 0.331 -13.112 -1.424 1.00 0.00 C ATOM 0 H ALA A 70 -0.470 -10.377 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 70 0.708 -12.799 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.106 -14.172 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.380 -12.991 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.296 -12.692 -0.638 1.00 0.00 H new ATOM 1044 N MET A 71 -1.717 -13.854 -3.504 1.00 0.00 N ATOM 1045 CA MET A 71 -3.067 -14.198 -3.937 1.00 0.00 C ATOM 1046 C MET A 71 -4.100 -13.731 -2.917 1.00 0.00 C ATOM 1047 O MET A 71 -5.073 -13.062 -3.266 1.00 0.00 O ATOM 1048 CB MET A 71 -3.188 -15.708 -4.150 1.00 0.00 C ATOM 1049 CG MET A 71 -2.501 -16.201 -5.412 1.00 0.00 C ATOM 1050 SD MET A 71 -3.584 -16.165 -6.853 1.00 0.00 S ATOM 1051 CE MET A 71 -3.470 -14.440 -7.320 1.00 0.00 C ATOM 0 H MET A 71 -1.067 -14.640 -3.483 1.00 0.00 H new ATOM 0 HA MET A 71 -3.260 -13.689 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.762 -16.223 -3.289 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.243 -15.977 -4.192 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.623 -15.585 -5.607 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.147 -17.220 -5.254 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.513 -14.353 -8.406 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.300 -13.888 -6.879 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.528 -14.027 -6.960 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.884 -14.089 -1.656 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.796 -13.705 -0.585 1.00 0.00 C ATOM 1063 C ALA A 72 -5.094 -12.211 -0.628 1.00 0.00 C ATOM 1064 O ALA A 72 -6.245 -11.794 -0.492 1.00 0.00 O ATOM 1065 CB ALA A 72 -4.215 -14.091 0.767 1.00 0.00 C ATOM 0 H ALA A 72 -3.085 -14.645 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.734 -14.240 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.906 -13.798 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.060 -15.169 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.262 -13.582 0.912 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.052 -11.409 -0.816 1.00 0.00 N ATOM 1072 CA ASP A 73 -4.203 -9.960 -0.877 1.00 0.00 C ATOM 1073 C ASP A 73 -5.219 -9.564 -1.944 1.00 0.00 C ATOM 1074 O ASP A 73 -5.862 -8.518 -1.847 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.855 -9.297 -1.168 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.847 -9.524 -0.058 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -2.271 -9.671 1.108 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.635 -9.556 -0.356 1.00 0.00 O ATOM 0 H ASP A 73 -3.093 -11.738 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.567 -9.616 0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.455 -9.688 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.003 -8.226 -1.308 1.00 0.00 H new ATOM 1083 N THR A 74 -5.359 -10.406 -2.963 1.00 0.00 N ATOM 1084 CA THR A 74 -6.295 -10.143 -4.048 1.00 0.00 C ATOM 1085 C THR A 74 -7.708 -9.930 -3.517 1.00 0.00 C ATOM 1086 O THR A 74 -8.400 -10.885 -3.167 1.00 0.00 O ATOM 1087 CB THR A 74 -6.311 -11.297 -5.068 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.976 -11.591 -5.496 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.169 -10.943 -6.273 1.00 0.00 C ATOM 0 H THR A 74 -4.836 -11.276 -3.059 1.00 0.00 H new ATOM 0 HA THR A 74 -5.956 -9.234 -4.544 1.00 0.00 H new ATOM 0 HB THR A 74 -6.739 -12.175 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.498 -12.058 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.165 -11.773 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.191 -10.749 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.767 -10.053 -6.757 1.00 0.00 H new ATOM 1097 N GLY A 75 -8.131 -8.671 -3.461 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.460 -8.356 -2.972 1.00 0.00 C ATOM 1099 C GLY A 75 -9.916 -6.970 -3.383 1.00 0.00 C ATOM 1100 O GLY A 75 -9.867 -6.619 -4.562 1.00 0.00 O ATOM 0 H GLY A 75 -7.577 -7.863 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.167 -9.095 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.471 -8.431 -1.885 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.363 -6.182 -2.410 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.832 -4.828 -2.679 1.00 0.00 C ATOM 1106 C GLU A 76 -10.351 -3.861 -1.601 1.00 0.00 C ATOM 1107 O GLU A 76 -10.521 -4.111 -0.407 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.360 -4.800 -2.760 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.936 -3.402 -2.899 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.380 -3.410 -3.365 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.740 -4.301 -4.161 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -15.148 -2.525 -2.933 1.00 0.00 O ATOM 0 H GLU A 76 -10.410 -6.458 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.419 -4.512 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.682 -5.402 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.772 -5.266 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.870 -2.889 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.333 -2.833 -3.607 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.749 -2.758 -2.030 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.240 -1.755 -1.103 1.00 0.00 C ATOM 1121 C TYR A 77 -10.039 -0.460 -1.208 1.00 0.00 C ATOM 1122 O TYR A 77 -10.365 -0.006 -2.305 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.761 -1.478 -1.379 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.863 -2.666 -1.117 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.879 -3.772 -1.959 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -6.000 -2.684 -0.029 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -6.061 -4.860 -1.723 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.178 -3.767 0.214 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.212 -4.853 -0.636 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.396 -5.935 -0.398 1.00 0.00 O ATOM 0 H TYR A 77 -9.601 -2.536 -3.014 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.347 -2.146 -0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.646 -1.168 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.435 -0.643 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.542 -3.781 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.971 -1.836 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.086 -5.712 -2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.512 -3.764 1.065 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.770 -6.729 -0.835 1.00 0.00 H new ATOM 1140 N SER A 78 -10.352 0.130 -0.059 1.00 0.00 N ATOM 1141 CA SER A 78 -11.116 1.372 -0.020 1.00 0.00 C ATOM 1142 C SER A 78 -10.492 2.363 0.958 1.00 0.00 C ATOM 1143 O SER A 78 -10.190 2.018 2.101 1.00 0.00 O ATOM 1144 CB SER A 78 -12.566 1.090 0.377 1.00 0.00 C ATOM 1145 OG SER A 78 -13.136 0.089 -0.448 1.00 0.00 O ATOM 0 H SER A 78 -10.088 -0.232 0.858 1.00 0.00 H new ATOM 0 HA SER A 78 -11.099 1.813 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.606 0.773 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.152 2.006 0.300 1.00 0.00 H new ATOM 0 HG SER A 78 -14.062 -0.073 -0.173 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.303 3.596 0.500 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.714 4.639 1.333 1.00 0.00 C ATOM 1153 C CYS A 79 -10.794 5.549 1.908 1.00 0.00 C ATOM 1154 O CYS A 79 -11.409 6.334 1.185 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.713 5.463 0.522 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.342 6.126 1.497 1.00 0.00 S ATOM 0 H CYS A 79 -10.549 3.898 -0.443 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.192 4.158 2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.309 4.841 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.240 6.290 0.047 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.249 5.488 1.199 1.00 0.00 H new ATOM 1162 N VAL A 80 -11.021 5.439 3.213 1.00 0.00 N ATOM 1163 CA VAL A 80 -12.027 6.252 3.885 1.00 0.00 C ATOM 1164 C VAL A 80 -11.392 7.457 4.570 1.00 0.00 C ATOM 1165 O VAL A 80 -10.329 7.348 5.182 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.804 5.431 4.932 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.196 6.009 5.138 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.880 3.971 4.514 1.00 0.00 C ATOM 0 H VAL A 80 -10.522 4.795 3.826 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.720 6.597 3.117 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.270 5.486 5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.730 5.416 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.115 7.039 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.742 5.987 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.432 3.406 5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.390 3.894 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.872 3.566 4.423 1.00 0.00 H new ATOM 1178 N CYS A 81 -12.050 8.606 4.462 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.550 9.834 5.070 1.00 0.00 C ATOM 1180 C CYS A 81 -12.445 10.272 6.226 1.00 0.00 C ATOM 1181 O CYS A 81 -11.959 10.667 7.285 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.465 10.947 4.026 1.00 0.00 C ATOM 1183 SG CYS A 81 -11.644 12.613 4.706 1.00 0.00 S ATOM 0 H CYS A 81 -12.931 8.713 3.959 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.552 9.636 5.461 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.506 10.877 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -12.240 10.787 3.276 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.566 13.253 4.049 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.755 10.199 6.013 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.697 10.593 7.045 1.00 0.00 C ATOM 1191 C GLY A 82 -16.133 10.287 6.667 1.00 0.00 C ATOM 1192 O GLY A 82 -16.792 9.475 7.316 1.00 0.00 O ATOM 0 H GLY A 82 -14.181 9.874 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.451 10.077 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.595 11.661 7.237 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.618 10.939 5.616 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.986 10.734 5.155 1.00 0.00 C ATOM 1198 C GLN A 83 -18.010 9.913 3.870 1.00 0.00 C ATOM 1199 O GLN A 83 -18.876 9.058 3.684 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.678 12.079 4.927 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.990 12.828 6.213 1.00 0.00 C ATOM 1202 CD GLN A 83 -20.132 13.812 6.052 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.725 13.923 4.978 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -20.448 14.532 7.122 1.00 0.00 N ATOM 0 H GLN A 83 -16.084 11.614 5.068 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.523 10.184 5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.043 12.703 4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.605 11.913 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -19.240 12.111 6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.099 13.362 6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.930 14.407 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -21.209 15.210 7.074 1.00 0.00 H new ATOM 1213 N GLU A 84 -17.053 10.178 2.985 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.966 9.464 1.717 1.00 0.00 C ATOM 1215 C GLU A 84 -15.679 8.647 1.640 1.00 0.00 C ATOM 1216 O GLU A 84 -14.789 8.792 2.478 1.00 0.00 O ATOM 1217 CB GLU A 84 -17.030 10.448 0.547 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.259 11.341 0.569 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.451 10.710 -0.123 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.240 9.874 -1.026 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -20.596 11.053 0.239 1.00 0.00 O ATOM 0 H GLU A 84 -16.328 10.882 3.123 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.813 8.781 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.137 11.073 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.014 9.889 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.521 11.566 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.023 12.289 0.086 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.590 7.789 0.629 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.414 6.948 0.443 1.00 0.00 C ATOM 1230 C ARG A 85 -14.333 6.436 -0.992 1.00 0.00 C ATOM 1231 O ARG A 85 -15.297 6.534 -1.754 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.445 5.768 1.416 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.192 4.557 0.880 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.835 3.757 2.003 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.061 4.384 2.488 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.809 3.879 3.463 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -17.456 2.746 4.054 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.911 4.508 3.850 1.00 0.00 N ATOM 0 H ARG A 85 -16.318 7.658 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.530 7.553 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.422 5.477 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.911 6.088 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.960 4.883 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.503 3.919 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.058 2.750 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.129 3.656 2.827 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.360 5.258 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.609 2.260 3.760 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.032 2.360 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.185 5.381 3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.484 4.119 4.599 1.00 0.00 H new ATOM 1252 N THR A 86 -13.178 5.889 -1.357 1.00 0.00 N ATOM 1253 CA THR A 86 -12.970 5.363 -2.700 1.00 0.00 C ATOM 1254 C THR A 86 -12.756 3.854 -2.673 1.00 0.00 C ATOM 1255 O THR A 86 -12.808 3.229 -1.614 1.00 0.00 O ATOM 1256 CB THR A 86 -11.762 6.030 -3.384 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.538 5.438 -4.668 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.511 5.888 -2.530 1.00 0.00 C ATOM 0 H THR A 86 -12.371 5.799 -0.740 1.00 0.00 H new ATOM 0 HA THR A 86 -13.871 5.589 -3.271 1.00 0.00 H new ATOM 0 HB THR A 86 -11.981 7.091 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.843 5.940 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.671 6.366 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.674 6.365 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.290 4.831 -2.381 1.00 0.00 H new ATOM 1266 N SER A 87 -12.515 3.274 -3.844 1.00 0.00 N ATOM 1267 CA SER A 87 -12.295 1.837 -3.955 1.00 0.00 C ATOM 1268 C SER A 87 -11.502 1.504 -5.214 1.00 0.00 C ATOM 1269 O SER A 87 -11.616 2.186 -6.232 1.00 0.00 O ATOM 1270 CB SER A 87 -13.634 1.095 -3.971 1.00 0.00 C ATOM 1271 OG SER A 87 -14.650 1.890 -4.557 1.00 0.00 O ATOM 0 H SER A 87 -12.467 3.777 -4.730 1.00 0.00 H new ATOM 0 HA SER A 87 -11.718 1.515 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.531 0.163 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.918 0.829 -2.953 1.00 0.00 H new ATOM 0 HG SER A 87 -15.495 1.393 -4.557 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.697 0.449 -5.137 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.885 0.023 -6.270 1.00 0.00 C ATOM 1279 C ALA A 88 -9.445 -1.429 -6.115 1.00 0.00 C ATOM 1280 O ALA A 88 -8.578 -1.741 -5.299 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.673 0.930 -6.422 1.00 0.00 C ATOM 0 H ALA A 88 -10.590 -0.126 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.495 0.097 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.076 0.600 -7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.004 1.955 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.069 0.886 -5.515 1.00 0.00 H new ATOM 1287 N MET A 89 -10.049 -2.312 -6.903 1.00 0.00 N ATOM 1288 CA MET A 89 -9.718 -3.732 -6.853 1.00 0.00 C ATOM 1289 C MET A 89 -8.231 -3.953 -7.109 1.00 0.00 C ATOM 1290 O MET A 89 -7.641 -3.323 -7.989 1.00 0.00 O ATOM 1291 CB MET A 89 -10.545 -4.507 -7.881 1.00 0.00 C ATOM 1292 CG MET A 89 -9.776 -5.629 -8.559 1.00 0.00 C ATOM 1293 SD MET A 89 -9.365 -6.971 -7.427 1.00 0.00 S ATOM 1294 CE MET A 89 -10.995 -7.615 -7.060 1.00 0.00 C ATOM 0 H MET A 89 -10.770 -2.070 -7.583 1.00 0.00 H new ATOM 0 HA MET A 89 -9.955 -4.100 -5.855 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.423 -4.925 -7.388 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.906 -3.814 -8.641 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.369 -6.024 -9.384 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.858 -5.227 -8.989 1.00 0.00 H new ATOM 0 HE1 MET A 89 -10.901 -8.573 -6.548 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.528 -6.912 -6.420 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.549 -7.753 -7.988 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.629 -4.850 -6.336 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.209 -5.153 -6.479 1.00 0.00 C ATOM 1306 C LEU A 90 -6.005 -6.588 -6.956 1.00 0.00 C ATOM 1307 O LEU A 90 -6.126 -7.536 -6.179 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.485 -4.938 -5.149 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.103 -5.582 -5.025 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.247 -5.245 -6.235 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.419 -5.132 -3.742 1.00 0.00 C ATOM 0 H LEU A 90 -8.102 -5.380 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.791 -4.478 -7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.380 -3.866 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.116 -5.323 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.229 -6.664 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.268 -5.712 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.731 -5.617 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.128 -4.164 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.437 -5.600 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.305 -4.048 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.025 -5.426 -2.885 1.00 0.00 H new ATOM 1323 N THR A 91 -5.692 -6.740 -8.239 1.00 0.00 N ATOM 1324 CA THR A 91 -5.469 -8.058 -8.820 1.00 0.00 C ATOM 1325 C THR A 91 -4.002 -8.462 -8.721 1.00 0.00 C ATOM 1326 O THR A 91 -3.129 -7.812 -9.296 1.00 0.00 O ATOM 1327 CB THR A 91 -5.903 -8.102 -10.297 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.322 -7.935 -10.396 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.496 -9.418 -10.942 1.00 0.00 C ATOM 0 H THR A 91 -5.587 -5.966 -8.896 1.00 0.00 H new ATOM 0 HA THR A 91 -6.076 -8.761 -8.250 1.00 0.00 H new ATOM 0 HB THR A 91 -5.404 -7.288 -10.823 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.688 -7.716 -9.514 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.813 -9.426 -11.985 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.413 -9.528 -10.891 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.970 -10.245 -10.413 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.738 -9.540 -7.989 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.376 -10.031 -7.817 1.00 0.00 C ATOM 1339 C VAL A 92 -2.069 -11.154 -8.801 1.00 0.00 C ATOM 1340 O VAL A 92 -2.230 -12.333 -8.484 1.00 0.00 O ATOM 1341 CB VAL A 92 -2.141 -10.542 -6.383 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.739 -11.115 -6.243 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.373 -9.426 -5.375 1.00 0.00 C ATOM 0 H VAL A 92 -4.449 -10.089 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.709 -9.190 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.855 -11.339 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.592 -11.471 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.614 -11.945 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.005 -10.340 -6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.203 -9.805 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.684 -8.605 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.399 -9.067 -5.459 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.624 -10.780 -9.997 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.294 -11.756 -11.029 1.00 0.00 C ATOM 1355 C ARG A 93 -0.215 -12.718 -10.542 1.00 0.00 C ATOM 1356 O ARG A 93 0.962 -12.364 -10.473 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.824 -11.046 -12.300 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.832 -10.050 -12.849 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.962 -10.751 -13.588 1.00 0.00 C ATOM 1360 NE ARG A 93 -3.524 -9.916 -14.647 1.00 0.00 N ATOM 1361 CZ ARG A 93 -4.179 -10.402 -15.696 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -4.354 -11.710 -15.825 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -4.661 -9.578 -16.617 1.00 0.00 N ATOM 0 H ARG A 93 -1.484 -9.809 -10.275 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.193 -12.330 -11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.111 -10.526 -12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.610 -11.792 -13.065 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.243 -9.458 -12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.330 -9.357 -13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.592 -11.682 -14.018 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.748 -11.017 -12.881 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.407 -8.905 -14.577 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.985 -12.346 -15.118 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.857 -12.080 -16.631 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.529 -8.571 -16.520 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.164 -9.951 -17.422 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.624 -13.937 -10.204 1.00 0.00 N ATOM 1378 CA ALA A 94 0.308 -14.950 -9.725 1.00 0.00 C ATOM 1379 C ALA A 94 1.498 -15.091 -10.668 1.00 0.00 C ATOM 1380 O ALA A 94 1.343 -15.059 -11.890 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.402 -16.286 -9.566 1.00 0.00 C ATOM 0 H ALA A 94 -1.595 -14.246 -10.253 1.00 0.00 H new ATOM 0 HA ALA A 94 0.684 -14.632 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.306 -17.034 -9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.215 -16.183 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.806 -16.600 -10.528 1.00 0.00 H new ATOM 1387 N LEU A 95 2.686 -15.245 -10.094 1.00 0.00 N ATOM 1388 CA LEU A 95 3.904 -15.390 -10.884 1.00 0.00 C ATOM 1389 C LEU A 95 3.773 -16.535 -11.883 1.00 0.00 C ATOM 1390 O LEU A 95 3.151 -17.562 -11.609 1.00 0.00 O ATOM 1391 CB LEU A 95 5.104 -15.634 -9.967 1.00 0.00 C ATOM 1392 CG LEU A 95 5.535 -14.453 -9.097 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.314 -14.939 -7.884 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.366 -13.468 -9.907 1.00 0.00 C ATOM 0 H LEU A 95 2.832 -15.273 -9.085 1.00 0.00 H new ATOM 0 HA LEU A 95 4.060 -14.465 -11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.871 -16.475 -9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.952 -15.934 -10.583 1.00 0.00 H new ATOM 0 HG LEU A 95 4.640 -13.940 -8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.612 -14.084 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.686 -15.604 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.202 -15.477 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.664 -12.634 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.256 -13.970 -10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.775 -13.094 -10.743 1.00 0.00 H new ATOM 1406 N PRO A 96 4.373 -16.358 -13.069 1.00 0.00 N ATOM 1407 CA PRO A 96 4.339 -17.367 -14.132 1.00 0.00 C ATOM 1408 C PRO A 96 5.167 -18.600 -13.787 1.00 0.00 C ATOM 1409 O PRO A 96 6.392 -18.591 -13.910 1.00 0.00 O ATOM 1410 CB PRO A 96 4.944 -16.637 -15.334 1.00 0.00 C ATOM 1411 CG PRO A 96 5.809 -15.580 -14.739 1.00 0.00 C ATOM 1412 CD PRO A 96 5.132 -15.159 -13.464 1.00 0.00 C ATOM 0 HA PRO A 96 3.330 -17.741 -14.306 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.523 -17.317 -15.960 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.168 -16.205 -15.966 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.811 -15.961 -14.541 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.918 -14.736 -15.420 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.855 -14.872 -12.701 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.477 -14.302 -13.621 1.00 0.00 H new ATOM 1420 N ILE A 97 4.490 -19.660 -13.356 1.00 0.00 N ATOM 1421 CA ILE A 97 5.164 -20.901 -12.995 1.00 0.00 C ATOM 1422 C ILE A 97 6.276 -21.230 -13.985 1.00 0.00 C ATOM 1423 O ILE A 97 7.423 -21.452 -13.596 1.00 0.00 O ATOM 1424 CB ILE A 97 4.176 -22.081 -12.939 1.00 0.00 C ATOM 1425 CG1 ILE A 97 3.068 -21.799 -11.923 1.00 0.00 C ATOM 1426 CG2 ILE A 97 4.909 -23.368 -12.588 1.00 0.00 C ATOM 1427 CD1 ILE A 97 1.877 -21.076 -12.513 1.00 0.00 C ATOM 0 H ILE A 97 3.476 -19.684 -13.249 1.00 0.00 H new ATOM 0 HA ILE A 97 5.595 -20.751 -12.005 1.00 0.00 H new ATOM 0 HB ILE A 97 3.720 -22.201 -13.922 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.733 -22.742 -11.492 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.477 -21.203 -11.107 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.198 -24.193 -12.552 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.666 -23.574 -13.345 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.389 -23.260 -11.615 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.131 -20.909 -11.736 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.198 -20.117 -12.919 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.443 -21.680 -13.309 1.00 0.00 H new ATOM 1439 N LYS A 98 5.931 -21.259 -15.267 1.00 0.00 N ATOM 1440 CA LYS A 98 6.899 -21.558 -16.315 1.00 0.00 C ATOM 1441 C LYS A 98 6.942 -20.440 -17.352 1.00 0.00 C ATOM 1442 O LYS A 98 5.904 -19.995 -17.842 1.00 0.00 O ATOM 1443 CB LYS A 98 6.554 -22.885 -16.994 1.00 0.00 C ATOM 1444 CG LYS A 98 7.396 -23.176 -18.224 1.00 0.00 C ATOM 1445 CD LYS A 98 8.831 -23.509 -17.852 1.00 0.00 C ATOM 1446 CE LYS A 98 9.529 -24.284 -18.959 1.00 0.00 C ATOM 1447 NZ LYS A 98 9.915 -23.402 -20.095 1.00 0.00 N ATOM 0 H LYS A 98 4.986 -21.079 -15.606 1.00 0.00 H new ATOM 0 HA LYS A 98 7.883 -21.639 -15.853 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.683 -23.695 -16.276 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.502 -22.875 -17.278 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.960 -24.009 -18.776 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.383 -22.312 -18.888 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.379 -22.588 -17.650 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.843 -24.095 -16.933 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.419 -24.769 -18.557 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.871 -25.074 -19.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.433 -23.719 -20.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.637 -22.422 -19.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.944 -23.448 -20.236 1.00 0.00 H new ATOM 1461 N PHE A 99 8.148 -19.991 -17.683 1.00 0.00 N ATOM 1462 CA PHE A 99 8.325 -18.926 -18.662 1.00 0.00 C ATOM 1463 C PHE A 99 8.487 -19.500 -20.067 1.00 0.00 C ATOM 1464 O PHE A 99 9.422 -20.253 -20.339 1.00 0.00 O ATOM 1465 CB PHE A 99 9.544 -18.072 -18.304 1.00 0.00 C ATOM 1466 CG PHE A 99 9.592 -16.760 -19.033 1.00 0.00 C ATOM 1467 CD1 PHE A 99 9.905 -16.713 -20.382 1.00 0.00 C ATOM 1468 CD2 PHE A 99 9.323 -15.574 -18.370 1.00 0.00 C ATOM 1469 CE1 PHE A 99 9.950 -15.507 -21.055 1.00 0.00 C ATOM 1470 CE2 PHE A 99 9.367 -14.364 -19.038 1.00 0.00 C ATOM 1471 CZ PHE A 99 9.680 -14.331 -20.383 1.00 0.00 C ATOM 0 H PHE A 99 9.017 -20.349 -17.287 1.00 0.00 H new ATOM 0 HA PHE A 99 7.433 -18.299 -18.645 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.542 -17.882 -17.231 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.450 -18.635 -18.526 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.116 -17.629 -20.913 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.076 -15.595 -17.319 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.196 -15.484 -22.106 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.157 -13.446 -18.509 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.714 -13.388 -20.908 1.00 0.00 H new ATOM 1481 N THR A 100 7.568 -19.138 -20.957 1.00 0.00 N ATOM 1482 CA THR A 100 7.607 -19.617 -22.333 1.00 0.00 C ATOM 1483 C THR A 100 8.530 -18.757 -23.189 1.00 0.00 C ATOM 1484 O THR A 100 8.572 -17.537 -23.038 1.00 0.00 O ATOM 1485 CB THR A 100 6.201 -19.626 -22.964 1.00 0.00 C ATOM 1486 OG1 THR A 100 5.304 -20.389 -22.149 1.00 0.00 O ATOM 1487 CG2 THR A 100 6.242 -20.212 -24.367 1.00 0.00 C ATOM 0 H THR A 100 6.788 -18.515 -20.749 1.00 0.00 H new ATOM 0 HA THR A 100 7.991 -20.637 -22.302 1.00 0.00 H new ATOM 0 HB THR A 100 5.848 -18.597 -23.027 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.412 -20.389 -22.555 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.238 -20.208 -24.792 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.904 -19.613 -24.992 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.613 -21.236 -24.323 1.00 0.00 H new ATOM 1495 N GLU A 101 9.267 -19.402 -24.088 1.00 0.00 N ATOM 1496 CA GLU A 101 10.189 -18.694 -24.968 1.00 0.00 C ATOM 1497 C GLU A 101 10.123 -19.252 -26.387 1.00 0.00 C ATOM 1498 O GLU A 101 10.002 -20.460 -26.585 1.00 0.00 O ATOM 1499 CB GLU A 101 11.619 -18.798 -24.434 1.00 0.00 C ATOM 1500 CG GLU A 101 12.192 -20.204 -24.496 1.00 0.00 C ATOM 1501 CD GLU A 101 13.659 -20.254 -24.116 1.00 0.00 C ATOM 1502 OE1 GLU A 101 13.956 -20.420 -22.915 1.00 0.00 O ATOM 1503 OE2 GLU A 101 14.510 -20.127 -25.021 1.00 0.00 O ATOM 0 H GLU A 101 9.243 -20.412 -24.226 1.00 0.00 H new ATOM 0 HA GLU A 101 9.893 -17.645 -24.994 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.261 -18.128 -25.006 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.638 -18.453 -23.400 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.625 -20.853 -23.828 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.068 -20.598 -25.505 1.00 0.00 H new ATOM 1510 N SER A 102 10.204 -18.361 -27.370 1.00 0.00 N ATOM 1511 CA SER A 102 10.148 -18.762 -28.771 1.00 0.00 C ATOM 1512 C SER A 102 10.783 -17.701 -29.665 1.00 0.00 C ATOM 1513 O SER A 102 10.585 -16.504 -29.464 1.00 0.00 O ATOM 1514 CB SER A 102 8.699 -19.005 -29.197 1.00 0.00 C ATOM 1515 OG SER A 102 8.604 -19.185 -30.600 1.00 0.00 O ATOM 0 H SER A 102 10.309 -17.357 -27.222 1.00 0.00 H new ATOM 0 HA SER A 102 10.711 -19.689 -28.881 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.309 -19.886 -28.687 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.080 -18.161 -28.893 1.00 0.00 H new ATOM 0 HG SER A 102 7.669 -19.340 -30.847 1.00 0.00 H new ATOM 1521 N GLY A 103 11.547 -18.151 -30.656 1.00 0.00 N ATOM 1522 CA GLY A 103 12.200 -17.229 -31.567 1.00 0.00 C ATOM 1523 C GLY A 103 11.699 -17.368 -32.991 1.00 0.00 C ATOM 1524 O GLY A 103 10.579 -17.818 -33.236 1.00 0.00 O ATOM 0 H GLY A 103 11.725 -19.138 -30.844 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.035 -16.207 -31.225 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.276 -17.402 -31.545 1.00 0.00 H new ATOM 1528 N PRO A 104 12.539 -16.975 -33.959 1.00 0.00 N ATOM 1529 CA PRO A 104 12.197 -17.048 -35.383 1.00 0.00 C ATOM 1530 C PRO A 104 12.129 -18.485 -35.890 1.00 0.00 C ATOM 1531 O PRO A 104 12.958 -19.320 -35.529 1.00 0.00 O ATOM 1532 CB PRO A 104 13.343 -16.295 -36.062 1.00 0.00 C ATOM 1533 CG PRO A 104 14.489 -16.416 -35.118 1.00 0.00 C ATOM 1534 CD PRO A 104 13.889 -16.430 -33.739 1.00 0.00 C ATOM 0 HA PRO A 104 11.212 -16.628 -35.588 1.00 0.00 H new ATOM 0 HB2 PRO A 104 13.582 -16.730 -37.032 1.00 0.00 H new ATOM 0 HB3 PRO A 104 13.082 -15.251 -36.236 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.055 -17.328 -35.307 1.00 0.00 H new ATOM 0 HG3 PRO A 104 15.180 -15.581 -35.234 1.00 0.00 H new ATOM 0 HD2 PRO A 104 14.467 -17.052 -33.056 1.00 0.00 H new ATOM 0 HD3 PRO A 104 13.853 -15.430 -33.306 1.00 0.00 H new ATOM 1542 N SER A 105 11.136 -18.765 -36.728 1.00 0.00 N ATOM 1543 CA SER A 105 10.959 -20.102 -37.282 1.00 0.00 C ATOM 1544 C SER A 105 9.945 -20.088 -38.422 1.00 0.00 C ATOM 1545 O SER A 105 9.237 -19.101 -38.626 1.00 0.00 O ATOM 1546 CB SER A 105 10.502 -21.073 -36.191 1.00 0.00 C ATOM 1547 OG SER A 105 10.533 -22.412 -36.654 1.00 0.00 O ATOM 0 H SER A 105 10.442 -18.084 -37.038 1.00 0.00 H new ATOM 0 HA SER A 105 11.919 -20.435 -37.676 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.146 -20.972 -35.317 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.491 -20.818 -35.873 1.00 0.00 H new ATOM 0 HG SER A 105 10.238 -23.013 -35.938 1.00 0.00 H new ATOM 1553 N SER A 106 9.881 -21.189 -39.163 1.00 0.00 N ATOM 1554 CA SER A 106 8.957 -21.303 -40.285 1.00 0.00 C ATOM 1555 C SER A 106 7.567 -21.711 -39.806 1.00 0.00 C ATOM 1556 O SER A 106 7.378 -22.803 -39.270 1.00 0.00 O ATOM 1557 CB SER A 106 9.478 -22.322 -41.301 1.00 0.00 C ATOM 1558 OG SER A 106 10.397 -21.724 -42.198 1.00 0.00 O ATOM 0 H SER A 106 10.458 -22.015 -39.007 1.00 0.00 H new ATOM 0 HA SER A 106 8.885 -20.327 -40.764 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.961 -23.148 -40.778 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.642 -22.744 -41.859 1.00 0.00 H new ATOM 0 HG SER A 106 10.716 -22.396 -42.836 1.00 0.00 H new ATOM 1564 N GLY A 107 6.596 -20.824 -40.002 1.00 0.00 N ATOM 1565 CA GLY A 107 5.236 -21.109 -39.584 1.00 0.00 C ATOM 1566 C GLY A 107 4.328 -21.440 -40.752 1.00 0.00 C ATOM 1567 O GLY A 107 4.440 -22.509 -41.351 1.00 0.00 O ATOM 0 H GLY A 107 6.727 -19.913 -40.443 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.242 -21.945 -38.884 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.836 -20.248 -39.049 1.00 0.00 H new TER 1571 GLY A 107