USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 806 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 110 GLN :FLIP amide:sc= -0.684 F(o=-3.3!,f=-2.3) USER MOD Set 1.2: A 113 SER OG : rot 57:sc= -1.61! USER MOD Set 2.1: A 108 TYR OH : rot -147:sc= 1.27 USER MOD Set 2.2: A 118 SER OG : rot -12:sc= 0.913 USER MOD Set 3.1: A 61 SER OG : rot 71:sc= 0.213 USER MOD Set 3.2: A 62 GLN : amide:sc= 0.0549 K(o=0.27,f=-1.3) USER MOD Set 4.1: A 47 GLN : amide:sc= -0.527 X(o=1.7,f=1.6) USER MOD Set 4.2: A 58 MET CE :methyl 149:sc= -0.116 (180deg=-0.475) USER MOD Set 4.3: A 98 THR OG1 : rot -119:sc= 1.06 USER MOD Set 4.4: A 127 SER OG : rot 154:sc= 1.24 USER MOD Set 5.1: A 41 ASN : amide:sc= 1.03 K(o=0.11,f=-1.3) USER MOD Set 5.2: A 45 GLN : amide:sc= -0.918! K(o=0.11!,f=-1.3) USER MOD Set 6.1: A 38 THR OG1 : rot 75:sc= -0.196 USER MOD Set 6.2: A 40 SER OG : rot 180:sc= 0.173 USER MOD Single : A 27 SER OG : rot 170:sc= 0.488 USER MOD Single : A 29 TYR OH : rot -38:sc= 0.133 USER MOD Single : A 34 GLN : amide:sc=-0.00547 K(o=-0.0055,f=-0.95) USER MOD Single : A 42 SER OG : rot -108:sc= 0.576 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 0.868 (180deg=0.741) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0156) USER MOD Single : A 57 HIS : no HE2:sc= 0.971 K(o=0.97,f=-5.8!) USER MOD Single : A 63 SER OG : rot 80:sc= 1.78 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= -0.168 (180deg=-0.271) USER MOD Single : A 70 GLN :FLIP amide:sc= -4.67! C(o=-7.2!,f=-4.7!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.41) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= -0.026 (180deg=-0.209) USER MOD Single : A 82 GLN : amide:sc= -0.0735 X(o=-0.074,f=-0.06) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= 0.0809 (180deg=-0.0145) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 103 SER OG : rot -37:sc= 0.256 USER MOD Single : A 104 SER OG : rot 151:sc= 0.94 USER MOD Single : A 115 SER OG : rot -37:sc= 0.059 USER MOD Single : A 116 ASN :FLIP amide:sc= -0.243 F(o=-0.96,f=-0.24) USER MOD Single : A 119 HIS : no HD1:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 120 SER OG : rot 110:sc= -1.25 USER MOD Single : A 122 ASN : amide:sc= -0.256 K(o=-0.26,f=-7.8!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.32) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -10.057 -0.405 14.591 1.00 0.00 N ATOM 2 CA ARG A 25 -9.914 -0.048 13.162 1.00 0.00 C ATOM 3 C ARG A 25 -8.460 -0.126 12.732 1.00 0.00 C ATOM 4 O ARG A 25 -7.557 0.093 13.533 1.00 0.00 O ATOM 5 CB ARG A 25 -10.445 1.363 12.903 1.00 0.00 C ATOM 6 CG ARG A 25 -11.956 1.439 12.762 1.00 0.00 C ATOM 7 CD ARG A 25 -12.431 0.765 11.483 1.00 0.00 C ATOM 8 NE ARG A 25 -11.868 1.397 10.288 1.00 0.00 N ATOM 9 CZ ARG A 25 -12.099 0.973 9.047 1.00 0.00 C ATOM 10 NH1 ARG A 25 -12.867 -0.085 8.840 1.00 0.00 N ATOM 11 NH2 ARG A 25 -11.553 1.594 8.013 1.00 0.00 N ATOM 0 HA ARG A 25 -10.497 -0.762 12.580 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.134 2.013 13.721 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.986 1.752 11.994 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.427 0.963 13.622 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.271 2.483 12.763 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.150 -0.288 11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.519 0.804 11.435 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.264 2.209 10.414 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.282 -0.576 9.631 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.043 -0.409 7.889 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.951 2.403 8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.735 1.263 7.065 1.00 0.00 H new ATOM 23 N LEU A 26 -8.247 -0.465 11.473 1.00 0.00 N ATOM 24 CA LEU A 26 -6.917 -0.462 10.888 1.00 0.00 C ATOM 25 C LEU A 26 -6.971 0.208 9.529 1.00 0.00 C ATOM 26 O LEU A 26 -7.105 -0.456 8.504 1.00 0.00 O ATOM 27 CB LEU A 26 -6.369 -1.887 10.747 1.00 0.00 C ATOM 28 CG LEU A 26 -6.082 -2.620 12.059 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.650 -4.046 11.777 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.008 -1.894 12.857 1.00 0.00 C ATOM 0 H LEU A 26 -8.986 -0.749 10.830 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.248 0.090 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.083 -2.476 10.172 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.448 -1.847 10.166 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.997 -2.638 12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.448 -4.558 12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.444 -4.568 11.243 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.747 -4.039 11.167 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.819 -2.432 13.786 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.090 -1.847 12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.345 -0.883 13.085 1.00 0.00 H new ATOM 42 N SER A 27 -6.915 1.522 9.530 1.00 0.00 N ATOM 43 CA SER A 27 -6.948 2.282 8.299 1.00 0.00 C ATOM 44 C SER A 27 -5.609 2.974 8.097 1.00 0.00 C ATOM 45 O SER A 27 -4.891 3.241 9.060 1.00 0.00 O ATOM 46 CB SER A 27 -8.059 3.330 8.374 1.00 0.00 C ATOM 47 OG SER A 27 -9.203 2.824 9.045 1.00 0.00 O ATOM 0 H SER A 27 -6.846 2.089 10.375 1.00 0.00 H new ATOM 0 HA SER A 27 -7.141 1.611 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.692 4.215 8.894 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.335 3.643 7.367 1.00 0.00 H new ATOM 0 HG SER A 27 -9.830 3.556 9.221 1.00 0.00 H new ATOM 53 N TRP A 28 -5.276 3.282 6.851 1.00 0.00 N ATOM 54 CA TRP A 28 -4.056 4.031 6.553 1.00 0.00 C ATOM 55 C TRP A 28 -4.225 5.518 6.877 1.00 0.00 C ATOM 56 O TRP A 28 -3.522 6.372 6.334 1.00 0.00 O ATOM 57 CB TRP A 28 -3.628 3.838 5.091 1.00 0.00 C ATOM 58 CG TRP A 28 -4.718 4.039 4.070 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.948 4.610 4.254 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.653 3.672 2.686 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.654 4.602 3.076 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.878 4.038 2.098 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.677 3.068 1.887 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.153 3.819 0.751 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.950 2.853 0.550 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.180 3.228 -0.007 1.00 0.00 C ATOM 0 H TRP A 28 -5.828 3.028 6.032 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.265 3.635 7.190 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.816 4.531 4.873 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.227 2.831 4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.311 5.009 5.190 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.602 4.958 2.950 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.727 2.775 2.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.101 4.106 0.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.203 2.388 -0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.363 3.047 -1.056 1.00 0.00 H new ATOM 77 N TYR A 29 -5.166 5.813 7.761 1.00 0.00 N ATOM 78 CA TYR A 29 -5.375 7.162 8.251 1.00 0.00 C ATOM 79 C TYR A 29 -5.199 7.199 9.765 1.00 0.00 C ATOM 80 O TYR A 29 -5.245 8.266 10.377 1.00 0.00 O ATOM 81 CB TYR A 29 -6.767 7.670 7.865 1.00 0.00 C ATOM 82 CG TYR A 29 -6.741 8.758 6.815 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.724 8.444 5.464 1.00 0.00 C ATOM 84 CD2 TYR A 29 -6.726 10.099 7.176 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.693 9.435 4.501 1.00 0.00 C ATOM 86 CE2 TYR A 29 -6.692 11.096 6.219 1.00 0.00 C ATOM 87 CZ TYR A 29 -6.676 10.758 4.884 1.00 0.00 C ATOM 88 OH TYR A 29 -6.639 11.746 3.923 1.00 0.00 O ATOM 0 H TYR A 29 -5.804 5.123 8.157 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.634 7.817 7.791 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.361 6.834 7.496 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.268 8.048 8.756 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.735 7.408 5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.741 10.367 8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.682 9.173 3.453 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.678 12.134 6.517 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.060 11.463 3.185 1.00 0.00 H new ATOM 98 N ASP A 30 -4.999 6.026 10.367 1.00 0.00 N ATOM 99 CA ASP A 30 -4.788 5.938 11.806 1.00 0.00 C ATOM 100 C ASP A 30 -3.380 6.389 12.156 1.00 0.00 C ATOM 101 O ASP A 30 -2.413 5.928 11.552 1.00 0.00 O ATOM 102 CB ASP A 30 -5.024 4.519 12.329 1.00 0.00 C ATOM 103 CG ASP A 30 -6.488 4.125 12.344 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.178 4.416 13.345 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.960 3.520 11.363 1.00 0.00 O ATOM 0 H ASP A 30 -4.979 5.130 9.880 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.513 6.596 12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.471 3.813 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.622 4.439 13.339 1.00 0.00 H new ATOM 110 N PRO A 31 -3.257 7.304 13.127 1.00 0.00 N ATOM 111 CA PRO A 31 -2.000 8.005 13.423 1.00 0.00 C ATOM 112 C PRO A 31 -0.791 7.085 13.541 1.00 0.00 C ATOM 113 O PRO A 31 0.274 7.376 12.989 1.00 0.00 O ATOM 114 CB PRO A 31 -2.287 8.677 14.764 1.00 0.00 C ATOM 115 CG PRO A 31 -3.755 8.898 14.759 1.00 0.00 C ATOM 116 CD PRO A 31 -4.344 7.726 14.027 1.00 0.00 C ATOM 0 HA PRO A 31 -1.733 8.689 12.618 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.983 8.045 15.598 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.744 9.617 14.862 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.144 8.960 15.775 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.007 9.835 14.263 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.631 6.928 14.712 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.239 8.007 13.472 1.00 0.00 H new ATOM 124 N ASP A 32 -0.959 5.973 14.247 1.00 0.00 N ATOM 125 CA ASP A 32 0.154 5.067 14.512 1.00 0.00 C ATOM 126 C ASP A 32 0.080 3.806 13.656 1.00 0.00 C ATOM 127 O ASP A 32 0.614 2.758 14.031 1.00 0.00 O ATOM 128 CB ASP A 32 0.210 4.696 16.000 1.00 0.00 C ATOM 129 CG ASP A 32 -0.987 3.890 16.466 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.078 4.476 16.621 1.00 0.00 O ATOM 131 OD2 ASP A 32 -0.840 2.670 16.695 1.00 0.00 O ATOM 0 H ASP A 32 -1.850 5.677 14.645 1.00 0.00 H new ATOM 0 HA ASP A 32 1.069 5.595 14.244 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.119 4.125 16.190 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.277 5.609 16.592 1.00 0.00 H new ATOM 136 N PHE A 33 -0.573 3.904 12.504 1.00 0.00 N ATOM 137 CA PHE A 33 -0.591 2.803 11.552 1.00 0.00 C ATOM 138 C PHE A 33 0.790 2.673 10.915 1.00 0.00 C ATOM 139 O PHE A 33 1.199 3.519 10.116 1.00 0.00 O ATOM 140 CB PHE A 33 -1.661 3.032 10.477 1.00 0.00 C ATOM 141 CG PHE A 33 -1.859 1.860 9.559 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.582 0.752 9.975 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.328 1.864 8.279 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.770 -0.326 9.135 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.513 0.789 7.434 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.234 -0.309 7.863 1.00 0.00 C ATOM 0 H PHE A 33 -1.094 4.730 12.209 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.838 1.879 12.075 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.608 3.264 10.964 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.386 3.904 9.884 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.003 0.733 10.969 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.763 2.719 7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.336 -1.182 9.472 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.095 0.806 6.438 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.378 -1.153 7.204 1.00 0.00 H new ATOM 156 N GLN A 34 1.517 1.632 11.295 1.00 0.00 N ATOM 157 CA GLN A 34 2.888 1.452 10.836 1.00 0.00 C ATOM 158 C GLN A 34 2.928 0.980 9.391 1.00 0.00 C ATOM 159 O GLN A 34 2.414 -0.088 9.057 1.00 0.00 O ATOM 160 CB GLN A 34 3.642 0.462 11.730 1.00 0.00 C ATOM 161 CG GLN A 34 3.886 0.973 13.140 1.00 0.00 C ATOM 162 CD GLN A 34 4.827 0.081 13.928 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.715 -0.560 13.363 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.643 0.034 15.237 1.00 0.00 N ATOM 0 H GLN A 34 1.181 0.899 11.920 1.00 0.00 H new ATOM 0 HA GLN A 34 3.380 2.423 10.896 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.077 -0.468 11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.601 0.227 11.268 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.301 1.980 13.091 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.934 1.046 13.666 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.896 0.580 15.667 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.248 -0.548 15.816 1.00 0.00 H new ATOM 173 N ALA A 35 3.536 1.790 8.542 1.00 0.00 N ATOM 174 CA ALA A 35 3.689 1.458 7.139 1.00 0.00 C ATOM 175 C ALA A 35 4.969 2.066 6.595 1.00 0.00 C ATOM 176 O ALA A 35 5.416 3.116 7.065 1.00 0.00 O ATOM 177 CB ALA A 35 2.488 1.945 6.341 1.00 0.00 C ATOM 0 H ALA A 35 3.935 2.691 8.805 1.00 0.00 H new ATOM 0 HA ALA A 35 3.748 0.374 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.620 1.687 5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.583 1.470 6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.399 3.027 6.441 1.00 0.00 H new ATOM 183 N ARG A 36 5.563 1.404 5.617 1.00 0.00 N ATOM 184 CA ARG A 36 6.789 1.887 5.012 1.00 0.00 C ATOM 185 C ARG A 36 6.745 1.690 3.506 1.00 0.00 C ATOM 186 O ARG A 36 6.018 0.835 2.997 1.00 0.00 O ATOM 187 CB ARG A 36 8.013 1.155 5.573 1.00 0.00 C ATOM 188 CG ARG A 36 8.068 -0.320 5.195 1.00 0.00 C ATOM 189 CD ARG A 36 9.494 -0.852 5.195 1.00 0.00 C ATOM 190 NE ARG A 36 10.150 -0.723 6.496 1.00 0.00 N ATOM 191 CZ ARG A 36 11.428 -0.384 6.644 1.00 0.00 C ATOM 192 NH1 ARG A 36 12.153 -0.053 5.583 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.982 -0.369 7.842 1.00 0.00 N ATOM 0 H ARG A 36 5.214 0.529 5.225 1.00 0.00 H new ATOM 0 HA ARG A 36 6.875 2.948 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.917 1.647 5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.012 1.243 6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.465 -0.897 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.629 -0.458 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.485 -1.902 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.076 -0.316 4.445 1.00 0.00 H new ATOM 0 HE ARG A 36 9.598 -0.903 7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.730 -0.059 4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.133 0.207 5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.430 -0.618 8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.962 -0.108 7.947 1.00 0.00 H new ATOM 206 N LEU A 37 7.515 2.494 2.806 1.00 0.00 N ATOM 207 CA LEU A 37 7.732 2.301 1.390 1.00 0.00 C ATOM 208 C LEU A 37 9.088 1.643 1.203 1.00 0.00 C ATOM 209 O LEU A 37 10.081 2.072 1.799 1.00 0.00 O ATOM 210 CB LEU A 37 7.665 3.642 0.661 1.00 0.00 C ATOM 211 CG LEU A 37 6.322 4.367 0.785 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.419 5.772 0.223 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.226 3.593 0.070 1.00 0.00 C ATOM 0 H LEU A 37 8.006 3.296 3.201 1.00 0.00 H new ATOM 0 HA LEU A 37 6.957 1.660 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.451 4.291 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.879 3.478 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 37 6.069 4.431 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.454 6.270 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.174 6.333 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.698 5.724 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.280 4.125 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.478 3.497 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.133 2.601 0.513 1.00 0.00 H new ATOM 225 N THR A 38 9.119 0.580 0.415 1.00 0.00 N ATOM 226 CA THR A 38 10.330 -0.211 0.250 1.00 0.00 C ATOM 227 C THR A 38 11.422 0.586 -0.457 1.00 0.00 C ATOM 228 O THR A 38 11.165 1.645 -1.034 1.00 0.00 O ATOM 229 CB THR A 38 10.043 -1.499 -0.540 1.00 0.00 C ATOM 230 OG1 THR A 38 9.479 -1.173 -1.812 1.00 0.00 O ATOM 231 CG2 THR A 38 9.095 -2.414 0.230 1.00 0.00 C ATOM 0 H THR A 38 8.319 0.244 -0.121 1.00 0.00 H new ATOM 0 HA THR A 38 10.680 -0.475 1.248 1.00 0.00 H new ATOM 0 HB THR A 38 10.985 -2.028 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.181 -0.830 -2.403 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.909 -3.317 -0.351 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.545 -2.684 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.153 -1.896 0.407 1.00 0.00 H new ATOM 239 N ARG A 39 12.638 0.052 -0.437 1.00 0.00 N ATOM 240 CA ARG A 39 13.804 0.766 -0.944 1.00 0.00 C ATOM 241 C ARG A 39 13.896 0.637 -2.463 1.00 0.00 C ATOM 242 O ARG A 39 14.955 0.326 -3.013 1.00 0.00 O ATOM 243 CB ARG A 39 15.080 0.228 -0.283 1.00 0.00 C ATOM 244 CG ARG A 39 14.986 0.142 1.234 1.00 0.00 C ATOM 245 CD ARG A 39 16.257 -0.414 1.851 1.00 0.00 C ATOM 246 NE ARG A 39 16.072 -0.762 3.260 1.00 0.00 N ATOM 247 CZ ARG A 39 16.994 -0.579 4.197 1.00 0.00 C ATOM 248 NH1 ARG A 39 18.136 0.017 3.898 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.766 -0.969 5.438 1.00 0.00 N ATOM 0 H ARG A 39 12.843 -0.879 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 39 13.699 1.822 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.297 -0.763 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.918 0.871 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.788 1.133 1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.142 -0.490 1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.573 -1.298 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.056 0.321 1.761 1.00 0.00 H new ATOM 0 HE ARG A 39 15.180 -1.170 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.310 0.337 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.843 0.156 4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.879 -1.412 5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.477 -0.827 6.156 1.00 0.00 H new ATOM 262 N SER A 40 12.775 0.875 -3.131 1.00 0.00 N ATOM 263 CA SER A 40 12.713 0.825 -4.585 1.00 0.00 C ATOM 264 C SER A 40 13.524 1.965 -5.190 1.00 0.00 C ATOM 265 O SER A 40 14.121 1.826 -6.259 1.00 0.00 O ATOM 266 CB SER A 40 11.257 0.902 -5.044 1.00 0.00 C ATOM 267 OG SER A 40 10.481 -0.115 -4.429 1.00 0.00 O ATOM 0 H SER A 40 11.888 1.107 -2.683 1.00 0.00 H new ATOM 0 HA SER A 40 13.141 -0.118 -4.926 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.844 1.880 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.207 0.799 -6.128 1.00 0.00 H new ATOM 0 HG SER A 40 9.552 -0.048 -4.734 1.00 0.00 H new ATOM 273 N ASN A 41 13.537 3.088 -4.489 1.00 0.00 N ATOM 274 CA ASN A 41 14.350 4.232 -4.874 1.00 0.00 C ATOM 275 C ASN A 41 14.657 5.068 -3.643 1.00 0.00 C ATOM 276 O ASN A 41 15.813 5.391 -3.363 1.00 0.00 O ATOM 277 CB ASN A 41 13.635 5.092 -5.921 1.00 0.00 C ATOM 278 CG ASN A 41 14.546 6.155 -6.510 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.750 5.949 -6.648 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.982 7.299 -6.869 1.00 0.00 N ATOM 0 H ASN A 41 12.988 3.232 -3.642 1.00 0.00 H new ATOM 0 HA ASN A 41 15.277 3.865 -5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.262 4.452 -6.721 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.768 5.571 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.550 8.043 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.979 7.436 -6.740 1.00 0.00 H new ATOM 287 N SER A 42 13.609 5.396 -2.902 1.00 0.00 N ATOM 288 CA SER A 42 13.741 6.142 -1.665 1.00 0.00 C ATOM 289 C SER A 42 12.480 5.942 -0.828 1.00 0.00 C ATOM 290 O SER A 42 11.485 5.408 -1.313 1.00 0.00 O ATOM 291 CB SER A 42 13.963 7.628 -1.963 1.00 0.00 C ATOM 292 OG SER A 42 14.308 8.341 -0.787 1.00 0.00 O ATOM 0 H SER A 42 12.648 5.153 -3.142 1.00 0.00 H new ATOM 0 HA SER A 42 14.604 5.779 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.755 7.739 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.058 8.054 -2.397 1.00 0.00 H new ATOM 0 HG SER A 42 13.552 8.899 -0.509 1.00 0.00 H new ATOM 298 N LYS A 43 12.529 6.393 0.418 1.00 0.00 N ATOM 299 CA LYS A 43 11.471 6.122 1.393 1.00 0.00 C ATOM 300 C LYS A 43 10.185 6.897 1.101 1.00 0.00 C ATOM 301 O LYS A 43 9.189 6.726 1.801 1.00 0.00 O ATOM 302 CB LYS A 43 11.949 6.433 2.823 1.00 0.00 C ATOM 303 CG LYS A 43 12.262 7.903 3.089 1.00 0.00 C ATOM 304 CD LYS A 43 13.592 8.327 2.481 1.00 0.00 C ATOM 305 CE LYS A 43 13.889 9.795 2.740 1.00 0.00 C ATOM 306 NZ LYS A 43 12.828 10.680 2.192 1.00 0.00 N ATOM 0 H LYS A 43 13.298 6.955 0.784 1.00 0.00 H new ATOM 0 HA LYS A 43 11.242 5.060 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.183 6.107 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.842 5.843 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.464 8.522 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.283 8.079 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.393 7.715 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.575 8.144 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.983 9.963 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.847 10.056 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.188 11.654 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.553 10.348 1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.000 10.659 2.820 1.00 0.00 H new ATOM 319 N CYS A 44 10.199 7.741 0.079 1.00 0.00 N ATOM 320 CA CYS A 44 9.010 8.500 -0.282 1.00 0.00 C ATOM 321 C CYS A 44 8.358 7.950 -1.547 1.00 0.00 C ATOM 322 O CYS A 44 7.399 8.530 -2.053 1.00 0.00 O ATOM 323 CB CYS A 44 9.340 9.981 -0.464 1.00 0.00 C ATOM 324 SG CYS A 44 9.834 10.834 1.070 1.00 0.00 S ATOM 0 H CYS A 44 11.013 7.917 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 44 8.300 8.398 0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.145 10.075 -1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.470 10.486 -0.883 1.00 0.00 H new ATOM 329 N GLN A 45 8.867 6.833 -2.060 1.00 0.00 N ATOM 330 CA GLN A 45 8.258 6.196 -3.222 1.00 0.00 C ATOM 331 C GLN A 45 8.721 4.749 -3.357 1.00 0.00 C ATOM 332 O GLN A 45 9.919 4.467 -3.428 1.00 0.00 O ATOM 333 CB GLN A 45 8.560 6.972 -4.511 1.00 0.00 C ATOM 334 CG GLN A 45 10.029 7.016 -4.895 1.00 0.00 C ATOM 335 CD GLN A 45 10.249 7.566 -6.292 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.291 8.148 -6.585 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.266 7.386 -7.164 1.00 0.00 N ATOM 0 H GLN A 45 9.690 6.355 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 45 7.179 6.203 -3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.998 6.523 -5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.197 7.994 -4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.571 7.631 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.447 6.011 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.416 6.897 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.360 7.736 -8.117 1.00 0.00 H new ATOM 346 N GLY A 46 7.767 3.836 -3.392 1.00 0.00 N ATOM 347 CA GLY A 46 8.094 2.433 -3.529 1.00 0.00 C ATOM 348 C GLY A 46 6.916 1.536 -3.223 1.00 0.00 C ATOM 349 O GLY A 46 5.766 1.983 -3.250 1.00 0.00 O ATOM 0 H GLY A 46 6.770 4.040 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.440 2.241 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.918 2.187 -2.859 1.00 0.00 H new ATOM 353 N GLN A 47 7.203 0.274 -2.935 1.00 0.00 N ATOM 354 CA GLN A 47 6.170 -0.703 -2.616 1.00 0.00 C ATOM 355 C GLN A 47 5.624 -0.440 -1.220 1.00 0.00 C ATOM 356 O GLN A 47 6.394 -0.265 -0.275 1.00 0.00 O ATOM 357 CB GLN A 47 6.750 -2.121 -2.679 1.00 0.00 C ATOM 358 CG GLN A 47 7.426 -2.455 -4.003 1.00 0.00 C ATOM 359 CD GLN A 47 8.377 -3.634 -3.894 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.357 -3.727 -4.634 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.107 -4.533 -2.962 1.00 0.00 N ATOM 0 H GLN A 47 8.152 -0.100 -2.916 1.00 0.00 H new ATOM 0 HA GLN A 47 5.364 -0.613 -3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.473 -2.243 -1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.949 -2.839 -2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.664 -2.676 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.975 -1.582 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.285 -4.421 -2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.721 -5.338 -2.837 1.00 0.00 H new ATOM 370 N LEU A 48 4.309 -0.397 -1.091 1.00 0.00 N ATOM 371 CA LEU A 48 3.686 -0.170 0.201 1.00 0.00 C ATOM 372 C LEU A 48 3.689 -1.449 1.026 1.00 0.00 C ATOM 373 O LEU A 48 3.063 -2.447 0.657 1.00 0.00 O ATOM 374 CB LEU A 48 2.251 0.341 0.032 1.00 0.00 C ATOM 375 CG LEU A 48 1.522 0.684 1.336 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.203 1.840 2.055 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.067 1.020 1.059 1.00 0.00 C ATOM 0 H LEU A 48 3.654 -0.516 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 48 4.265 0.590 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.271 1.230 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.674 -0.415 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 48 1.563 -0.191 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.665 2.063 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.231 1.566 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.201 2.720 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.435 1.261 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.013 1.877 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.422 0.164 0.595 1.00 0.00 H new ATOM 389 N GLU A 49 4.418 -1.418 2.127 1.00 0.00 N ATOM 390 CA GLU A 49 4.453 -2.534 3.055 1.00 0.00 C ATOM 391 C GLU A 49 3.935 -2.069 4.408 1.00 0.00 C ATOM 392 O GLU A 49 4.372 -1.038 4.926 1.00 0.00 O ATOM 393 CB GLU A 49 5.875 -3.091 3.176 1.00 0.00 C ATOM 394 CG GLU A 49 5.969 -4.352 4.017 1.00 0.00 C ATOM 395 CD GLU A 49 7.350 -4.970 3.983 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.250 -4.479 4.698 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.547 -5.949 3.230 1.00 0.00 O ATOM 0 H GLU A 49 4.998 -0.625 2.402 1.00 0.00 H new ATOM 0 HA GLU A 49 3.816 -3.337 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.259 -3.302 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.519 -2.327 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.705 -4.118 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.240 -5.079 3.659 1.00 0.00 H new ATOM 404 N VAL A 50 2.998 -2.814 4.970 1.00 0.00 N ATOM 405 CA VAL A 50 2.328 -2.390 6.190 1.00 0.00 C ATOM 406 C VAL A 50 2.529 -3.394 7.318 1.00 0.00 C ATOM 407 O VAL A 50 2.760 -4.581 7.077 1.00 0.00 O ATOM 408 CB VAL A 50 0.813 -2.180 5.963 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.567 -1.071 4.947 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.147 -3.475 5.516 1.00 0.00 C ATOM 0 H VAL A 50 2.684 -3.713 4.603 1.00 0.00 H new ATOM 0 HA VAL A 50 2.780 -1.440 6.476 1.00 0.00 H new ATOM 0 HB VAL A 50 0.368 -1.879 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.506 -0.941 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.000 -0.140 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.031 -1.338 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.918 -3.302 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.598 -3.813 4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.284 -4.238 6.282 1.00 0.00 H new ATOM 420 N TYR A 51 2.459 -2.899 8.545 1.00 0.00 N ATOM 421 CA TYR A 51 2.541 -3.748 9.722 1.00 0.00 C ATOM 422 C TYR A 51 1.144 -4.058 10.233 1.00 0.00 C ATOM 423 O TYR A 51 0.426 -3.168 10.691 1.00 0.00 O ATOM 424 CB TYR A 51 3.362 -3.067 10.824 1.00 0.00 C ATOM 425 CG TYR A 51 3.420 -3.854 12.120 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.324 -4.898 12.289 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.561 -3.555 13.173 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.370 -5.617 13.468 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.605 -4.270 14.354 1.00 0.00 C ATOM 430 CZ TYR A 51 3.510 -5.298 14.497 1.00 0.00 C ATOM 431 OH TYR A 51 3.548 -6.017 15.672 1.00 0.00 O ATOM 0 H TYR A 51 2.345 -1.907 8.751 1.00 0.00 H new ATOM 0 HA TYR A 51 3.038 -4.678 9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.377 -2.907 10.461 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.937 -2.084 11.026 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.001 -5.150 11.486 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.848 -2.751 13.065 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.077 -6.426 13.583 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.932 -4.024 15.162 1.00 0.00 H new ATOM 0 HH TYR A 51 2.878 -5.663 16.294 1.00 0.00 H new ATOM 441 N LEU A 52 0.756 -5.316 10.135 1.00 0.00 N ATOM 442 CA LEU A 52 -0.538 -5.749 10.625 1.00 0.00 C ATOM 443 C LEU A 52 -0.357 -6.822 11.689 1.00 0.00 C ATOM 444 O LEU A 52 0.757 -7.047 12.168 1.00 0.00 O ATOM 445 CB LEU A 52 -1.399 -6.282 9.474 1.00 0.00 C ATOM 446 CG LEU A 52 -1.702 -5.282 8.355 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.537 -5.945 7.271 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.422 -4.056 8.901 1.00 0.00 C ATOM 0 H LEU A 52 1.320 -6.057 9.719 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.048 -4.893 11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.897 -7.146 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.344 -6.637 9.885 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.756 -4.956 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.746 -5.224 6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.989 -6.790 6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.476 -6.297 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.626 -3.361 8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.362 -4.361 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.794 -3.567 9.646 1.00 0.00 H new ATOM 460 N LYS A 53 -1.452 -7.476 12.053 1.00 0.00 N ATOM 461 CA LYS A 53 -1.426 -8.560 13.030 1.00 0.00 C ATOM 462 C LYS A 53 -0.436 -9.633 12.595 1.00 0.00 C ATOM 463 O LYS A 53 0.330 -10.164 13.400 1.00 0.00 O ATOM 464 CB LYS A 53 -2.820 -9.190 13.182 1.00 0.00 C ATOM 465 CG LYS A 53 -3.941 -8.218 13.558 1.00 0.00 C ATOM 466 CD LYS A 53 -4.384 -7.351 12.382 1.00 0.00 C ATOM 467 CE LYS A 53 -4.870 -8.185 11.202 1.00 0.00 C ATOM 468 NZ LYS A 53 -6.085 -8.978 11.529 1.00 0.00 N ATOM 0 H LYS A 53 -2.380 -7.272 11.682 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.118 -8.144 13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.084 -9.678 12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.767 -9.969 13.942 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.796 -8.782 13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.603 -7.576 14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.182 -6.683 12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.553 -6.723 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.085 -7.527 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.074 -8.859 10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.425 -9.461 10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.853 -9.684 12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.828 -8.344 11.887 1.00 0.00 H new ATOM 481 N ASP A 54 -0.448 -9.918 11.301 1.00 0.00 N ATOM 482 CA ASP A 54 0.403 -10.941 10.712 1.00 0.00 C ATOM 483 C ASP A 54 1.763 -10.376 10.297 1.00 0.00 C ATOM 484 O ASP A 54 2.461 -10.961 9.466 1.00 0.00 O ATOM 485 CB ASP A 54 -0.306 -11.571 9.509 1.00 0.00 C ATOM 486 CG ASP A 54 -0.939 -10.532 8.600 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.999 -9.980 8.976 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.384 -10.260 7.519 1.00 0.00 O ATOM 0 H ASP A 54 -1.050 -9.444 10.628 1.00 0.00 H new ATOM 0 HA ASP A 54 0.587 -11.706 11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.410 -12.162 8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.075 -12.257 9.863 1.00 0.00 H new ATOM 493 N GLY A 55 2.134 -9.238 10.874 1.00 0.00 N ATOM 494 CA GLY A 55 3.460 -8.691 10.656 1.00 0.00 C ATOM 495 C GLY A 55 3.533 -7.766 9.459 1.00 0.00 C ATOM 496 O GLY A 55 2.513 -7.237 9.013 1.00 0.00 O ATOM 0 H GLY A 55 1.539 -8.684 11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.773 -8.147 11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.166 -9.510 10.518 1.00 0.00 H new ATOM 500 N TRP A 56 4.742 -7.569 8.947 1.00 0.00 N ATOM 501 CA TRP A 56 4.963 -6.707 7.795 1.00 0.00 C ATOM 502 C TRP A 56 4.660 -7.450 6.503 1.00 0.00 C ATOM 503 O TRP A 56 5.306 -8.448 6.177 1.00 0.00 O ATOM 504 CB TRP A 56 6.408 -6.188 7.778 1.00 0.00 C ATOM 505 CG TRP A 56 6.673 -5.127 8.804 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.161 -5.304 10.066 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.455 -3.719 8.651 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.254 -4.095 10.710 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.829 -3.106 9.860 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.981 -2.919 7.609 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.738 -1.729 10.055 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.894 -1.555 7.804 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.271 -0.972 9.017 1.00 0.00 C ATOM 0 H TRP A 56 5.590 -7.999 9.316 1.00 0.00 H new ATOM 0 HA TRP A 56 4.287 -5.856 7.874 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.088 -7.023 7.946 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.631 -5.790 6.788 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.434 -6.256 10.496 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.585 -3.955 11.665 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.688 -3.359 6.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.026 -1.276 10.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.528 -0.927 7.005 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.192 0.098 9.137 1.00 0.00 H new ATOM 524 N HIS A 57 3.671 -6.967 5.774 1.00 0.00 N ATOM 525 CA HIS A 57 3.288 -7.580 4.515 1.00 0.00 C ATOM 526 C HIS A 57 3.076 -6.530 3.435 1.00 0.00 C ATOM 527 O HIS A 57 2.574 -5.436 3.701 1.00 0.00 O ATOM 528 CB HIS A 57 2.024 -8.430 4.679 1.00 0.00 C ATOM 529 CG HIS A 57 2.313 -9.864 4.996 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.598 -10.601 5.917 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.242 -10.707 4.487 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.071 -11.830 5.959 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.072 -11.921 5.102 1.00 0.00 N ATOM 0 H HIS A 57 3.117 -6.150 6.032 1.00 0.00 H new ATOM 0 HA HIS A 57 4.106 -8.231 4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.410 -8.006 5.473 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.438 -8.379 3.761 1.00 0.00 H new ATOM 0 HD1 HIS A 57 0.823 -10.249 6.479 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.980 -10.468 3.736 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.703 -12.627 6.587 1.00 0.00 H new ATOM 541 N MET A 58 3.484 -6.875 2.223 1.00 0.00 N ATOM 542 CA MET A 58 3.328 -6.003 1.067 1.00 0.00 C ATOM 543 C MET A 58 1.863 -5.931 0.663 1.00 0.00 C ATOM 544 O MET A 58 1.154 -6.928 0.747 1.00 0.00 O ATOM 545 CB MET A 58 4.146 -6.541 -0.108 1.00 0.00 C ATOM 546 CG MET A 58 5.635 -6.639 0.171 1.00 0.00 C ATOM 547 SD MET A 58 6.499 -7.647 -1.052 1.00 0.00 S ATOM 548 CE MET A 58 5.915 -6.913 -2.579 1.00 0.00 C ATOM 0 H MET A 58 3.932 -7.767 2.012 1.00 0.00 H new ATOM 0 HA MET A 58 3.682 -5.007 1.332 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.771 -7.529 -0.377 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.990 -5.895 -0.972 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.066 -5.638 0.183 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.789 -7.064 1.163 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.689 -6.997 -3.342 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.018 -7.434 -2.913 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.683 -5.861 -2.412 1.00 0.00 H new ATOM 558 N VAL A 59 1.412 -4.766 0.226 1.00 0.00 N ATOM 559 CA VAL A 59 0.031 -4.612 -0.210 1.00 0.00 C ATOM 560 C VAL A 59 -0.064 -4.718 -1.727 1.00 0.00 C ATOM 561 O VAL A 59 0.689 -4.068 -2.455 1.00 0.00 O ATOM 562 CB VAL A 59 -0.580 -3.263 0.251 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.029 -3.134 -0.206 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.491 -3.121 1.763 1.00 0.00 C ATOM 0 H VAL A 59 1.976 -3.918 0.163 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.540 -5.417 0.253 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.003 -2.461 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.433 -2.179 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.073 -3.183 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.618 -3.947 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.925 -2.168 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.038 -3.936 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.554 -3.158 2.071 1.00 0.00 H new ATOM 574 N CYS A 60 -0.977 -5.554 -2.195 1.00 0.00 N ATOM 575 CA CYS A 60 -1.218 -5.703 -3.620 1.00 0.00 C ATOM 576 C CYS A 60 -2.110 -4.555 -4.083 1.00 0.00 C ATOM 577 O CYS A 60 -3.085 -4.210 -3.411 1.00 0.00 O ATOM 578 CB CYS A 60 -1.885 -7.056 -3.911 1.00 0.00 C ATOM 579 SG CYS A 60 -1.622 -7.684 -5.607 1.00 0.00 S ATOM 0 H CYS A 60 -1.566 -6.142 -1.605 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.272 -5.674 -4.161 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.507 -7.793 -3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.957 -6.964 -3.734 1.00 0.00 H new ATOM 584 N SER A 61 -1.774 -3.968 -5.225 1.00 0.00 N ATOM 585 CA SER A 61 -2.456 -2.773 -5.724 1.00 0.00 C ATOM 586 C SER A 61 -3.910 -3.048 -6.104 1.00 0.00 C ATOM 587 O SER A 61 -4.662 -2.126 -6.409 1.00 0.00 O ATOM 588 CB SER A 61 -1.701 -2.220 -6.934 1.00 0.00 C ATOM 589 OG SER A 61 -1.533 -3.216 -7.928 1.00 0.00 O ATOM 0 H SER A 61 -1.025 -4.302 -5.831 1.00 0.00 H new ATOM 0 HA SER A 61 -2.465 -2.040 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.246 -1.373 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.726 -1.847 -6.619 1.00 0.00 H new ATOM 0 HG SER A 61 -2.397 -3.406 -8.350 1.00 0.00 H new ATOM 595 N GLN A 62 -4.297 -4.317 -6.071 1.00 0.00 N ATOM 596 CA GLN A 62 -5.633 -4.724 -6.482 1.00 0.00 C ATOM 597 C GLN A 62 -6.600 -4.689 -5.296 1.00 0.00 C ATOM 598 O GLN A 62 -7.689 -5.258 -5.355 1.00 0.00 O ATOM 599 CB GLN A 62 -5.589 -6.136 -7.075 1.00 0.00 C ATOM 600 CG GLN A 62 -4.422 -6.385 -8.026 1.00 0.00 C ATOM 601 CD GLN A 62 -4.361 -5.399 -9.179 1.00 0.00 C ATOM 602 OE1 GLN A 62 -3.737 -4.345 -9.075 1.00 0.00 O ATOM 603 NE2 GLN A 62 -4.985 -5.744 -10.295 1.00 0.00 N ATOM 0 H GLN A 62 -3.701 -5.085 -5.762 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.988 -4.025 -7.239 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.538 -6.858 -6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.522 -6.322 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.489 -6.334 -7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.499 -7.396 -8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.493 -6.627 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.958 -5.126 -11.106 1.00 0.00 H new ATOM 612 N SER A 63 -6.195 -4.019 -4.222 1.00 0.00 N ATOM 613 CA SER A 63 -6.993 -3.959 -3.006 1.00 0.00 C ATOM 614 C SER A 63 -8.118 -2.936 -3.132 1.00 0.00 C ATOM 615 O SER A 63 -7.940 -1.882 -3.740 1.00 0.00 O ATOM 616 CB SER A 63 -6.103 -3.612 -1.812 1.00 0.00 C ATOM 617 OG SER A 63 -5.142 -4.631 -1.579 1.00 0.00 O ATOM 0 H SER A 63 -5.314 -3.508 -4.171 1.00 0.00 H new ATOM 0 HA SER A 63 -7.443 -4.939 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.596 -2.665 -1.995 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.718 -3.478 -0.922 1.00 0.00 H new ATOM 0 HG SER A 63 -4.395 -4.525 -2.205 1.00 0.00 H new ATOM 623 N TRP A 64 -9.269 -3.272 -2.548 1.00 0.00 N ATOM 624 CA TRP A 64 -10.462 -2.414 -2.557 1.00 0.00 C ATOM 625 C TRP A 64 -10.938 -2.131 -3.981 1.00 0.00 C ATOM 626 O TRP A 64 -11.717 -1.206 -4.214 1.00 0.00 O ATOM 627 CB TRP A 64 -10.191 -1.097 -1.813 1.00 0.00 C ATOM 628 CG TRP A 64 -9.603 -1.300 -0.449 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.219 -1.841 0.642 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.278 -0.957 -0.032 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.354 -1.864 1.710 1.00 0.00 N ATOM 632 CE2 TRP A 64 -8.156 -1.323 1.320 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.181 -0.379 -0.676 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.982 -1.128 2.040 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.018 -0.185 0.042 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.926 -0.560 1.384 1.00 0.00 C ATOM 0 H TRP A 64 -9.404 -4.153 -2.051 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.256 -2.952 -2.039 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.512 -0.485 -2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.124 -0.541 -1.720 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.238 -2.199 0.663 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.568 -2.224 2.640 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.242 -0.090 -1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.908 -1.415 3.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.164 0.265 -0.443 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.000 -0.398 1.915 1.00 0.00 H new ATOM 647 N GLY A 65 -10.479 -2.944 -4.920 1.00 0.00 N ATOM 648 CA GLY A 65 -10.831 -2.760 -6.308 1.00 0.00 C ATOM 649 C GLY A 65 -9.745 -3.271 -7.229 1.00 0.00 C ATOM 650 O GLY A 65 -8.798 -2.550 -7.533 1.00 0.00 O ATOM 0 H GLY A 65 -9.862 -3.736 -4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.764 -3.282 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.006 -1.702 -6.503 1.00 0.00 H new ATOM 654 N ARG A 66 -9.864 -4.518 -7.667 1.00 0.00 N ATOM 655 CA ARG A 66 -8.851 -5.115 -8.527 1.00 0.00 C ATOM 656 C ARG A 66 -8.936 -4.537 -9.935 1.00 0.00 C ATOM 657 O ARG A 66 -9.552 -5.114 -10.831 1.00 0.00 O ATOM 658 CB ARG A 66 -8.985 -6.639 -8.558 1.00 0.00 C ATOM 659 CG ARG A 66 -7.875 -7.323 -9.341 1.00 0.00 C ATOM 660 CD ARG A 66 -7.713 -8.777 -8.935 1.00 0.00 C ATOM 661 NE ARG A 66 -8.869 -9.593 -9.290 1.00 0.00 N ATOM 662 CZ ARG A 66 -9.251 -10.657 -8.592 1.00 0.00 C ATOM 663 NH1 ARG A 66 -8.622 -10.968 -7.466 1.00 0.00 N ATOM 664 NH2 ARG A 66 -10.257 -11.410 -9.009 1.00 0.00 N ATOM 0 H ARG A 66 -10.647 -5.132 -7.443 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.872 -4.873 -8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.986 -7.018 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.947 -6.904 -8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.094 -7.265 -10.407 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.936 -6.793 -9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.824 -9.187 -9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.550 -8.833 -7.859 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.411 -9.334 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.847 -10.391 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.913 -11.784 -6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.746 -11.175 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.543 -12.225 -8.466 1.00 0.00 H new ATOM 677 N SER A 67 -8.325 -3.382 -10.113 1.00 0.00 N ATOM 678 CA SER A 67 -8.321 -2.702 -11.391 1.00 0.00 C ATOM 679 C SER A 67 -6.897 -2.354 -11.802 1.00 0.00 C ATOM 680 O SER A 67 -6.073 -1.990 -10.965 1.00 0.00 O ATOM 681 CB SER A 67 -9.163 -1.432 -11.299 1.00 0.00 C ATOM 682 OG SER A 67 -10.465 -1.719 -10.811 1.00 0.00 O ATOM 0 H SER A 67 -7.819 -2.890 -9.377 1.00 0.00 H new ATOM 0 HA SER A 67 -8.748 -3.364 -12.145 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.674 -0.714 -10.640 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.234 -0.966 -12.282 1.00 0.00 H new ATOM 0 HG SER A 67 -10.985 -0.890 -10.759 1.00 0.00 H new ATOM 688 N SER A 68 -6.609 -2.469 -13.088 1.00 0.00 N ATOM 689 CA SER A 68 -5.304 -2.101 -13.607 1.00 0.00 C ATOM 690 C SER A 68 -5.340 -0.633 -14.021 1.00 0.00 C ATOM 691 O SER A 68 -5.177 -0.288 -15.195 1.00 0.00 O ATOM 692 CB SER A 68 -4.918 -2.997 -14.790 1.00 0.00 C ATOM 693 OG SER A 68 -3.545 -2.853 -15.123 1.00 0.00 O ATOM 0 H SER A 68 -7.262 -2.814 -13.791 1.00 0.00 H new ATOM 0 HA SER A 68 -4.548 -2.241 -12.834 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.127 -4.038 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.532 -2.745 -15.655 1.00 0.00 H new ATOM 0 HG SER A 68 -3.329 -3.438 -15.879 1.00 0.00 H new ATOM 699 N LYS A 69 -5.578 0.222 -13.040 1.00 0.00 N ATOM 700 CA LYS A 69 -5.744 1.643 -13.272 1.00 0.00 C ATOM 701 C LYS A 69 -5.069 2.431 -12.157 1.00 0.00 C ATOM 702 O LYS A 69 -5.048 1.996 -11.003 1.00 0.00 O ATOM 703 CB LYS A 69 -7.240 1.983 -13.335 1.00 0.00 C ATOM 704 CG LYS A 69 -7.535 3.460 -13.542 1.00 0.00 C ATOM 705 CD LYS A 69 -7.046 3.939 -14.898 1.00 0.00 C ATOM 706 CE LYS A 69 -7.116 5.453 -15.011 1.00 0.00 C ATOM 707 NZ LYS A 69 -6.252 6.128 -14.003 1.00 0.00 N ATOM 0 H LYS A 69 -5.661 -0.052 -12.061 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.280 1.912 -14.221 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.696 1.416 -14.146 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.715 1.655 -12.410 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.608 3.633 -13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.056 4.042 -12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.019 3.608 -15.053 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.649 3.486 -15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.810 5.756 -16.012 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.148 5.779 -14.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.236 7.151 -14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.631 5.955 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.285 5.749 -14.065 1.00 0.00 H new ATOM 720 N GLN A 70 -4.498 3.574 -12.510 1.00 0.00 N ATOM 721 CA GLN A 70 -3.928 4.477 -11.524 1.00 0.00 C ATOM 722 C GLN A 70 -5.045 5.038 -10.652 1.00 0.00 C ATOM 723 O GLN A 70 -6.051 5.527 -11.173 1.00 0.00 O ATOM 724 CB GLN A 70 -3.177 5.619 -12.217 1.00 0.00 C ATOM 725 CG GLN A 70 -2.417 6.524 -11.261 1.00 0.00 C ATOM 726 CD GLN A 70 -1.109 5.920 -10.768 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.035 4.599 -10.694 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -0.164 6.643 -10.463 1.00 0.00 N flip ATOM 0 H GLN A 70 -4.418 3.897 -13.474 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.221 3.929 -10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.476 5.196 -12.937 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.890 6.220 -12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.207 7.471 -11.758 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.051 6.748 -10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.254 7.657 -10.532 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.711 6.230 -10.141 1.00 0.00 H new ATOM 737 N TRP A 71 -4.872 4.961 -9.338 1.00 0.00 N ATOM 738 CA TRP A 71 -5.919 5.369 -8.412 1.00 0.00 C ATOM 739 C TRP A 71 -6.124 6.878 -8.435 1.00 0.00 C ATOM 740 O TRP A 71 -5.182 7.658 -8.277 1.00 0.00 O ATOM 741 CB TRP A 71 -5.624 4.881 -6.989 1.00 0.00 C ATOM 742 CG TRP A 71 -5.814 3.401 -6.830 1.00 0.00 C ATOM 743 CD1 TRP A 71 -4.843 2.460 -6.644 1.00 0.00 C ATOM 744 CD2 TRP A 71 -7.059 2.692 -6.857 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.409 1.209 -6.550 1.00 0.00 N ATOM 746 CE2 TRP A 71 -6.769 1.328 -6.679 1.00 0.00 C ATOM 747 CE3 TRP A 71 -8.394 3.082 -7.014 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -7.763 0.351 -6.654 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -9.379 2.113 -6.989 1.00 0.00 C ATOM 750 CH2 TRP A 71 -9.059 0.763 -6.809 1.00 0.00 C ATOM 0 H TRP A 71 -4.020 4.621 -8.892 1.00 0.00 H new ATOM 0 HA TRP A 71 -6.846 4.901 -8.743 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.599 5.141 -6.726 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -6.275 5.404 -6.288 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.785 2.667 -6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -4.900 0.336 -6.408 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.650 4.122 -7.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -7.520 -0.692 -6.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.412 2.403 -7.110 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.852 0.030 -6.792 1.00 0.00 H new ATOM 761 N GLU A 72 -7.376 7.266 -8.637 1.00 0.00 N ATOM 762 CA GLU A 72 -7.753 8.661 -8.805 1.00 0.00 C ATOM 763 C GLU A 72 -7.609 9.448 -7.500 1.00 0.00 C ATOM 764 O GLU A 72 -7.440 10.668 -7.521 1.00 0.00 O ATOM 765 CB GLU A 72 -9.194 8.723 -9.324 1.00 0.00 C ATOM 766 CG GLU A 72 -9.624 10.087 -9.828 1.00 0.00 C ATOM 767 CD GLU A 72 -10.997 10.051 -10.465 1.00 0.00 C ATOM 768 OE1 GLU A 72 -12.000 9.968 -9.726 1.00 0.00 O ATOM 769 OE2 GLU A 72 -11.081 10.091 -11.712 1.00 0.00 O ATOM 0 H GLU A 72 -8.162 6.618 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.080 9.125 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.307 7.999 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.868 8.416 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.628 10.795 -8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.897 10.451 -10.554 1.00 0.00 H new ATOM 776 N ASP A 73 -7.653 8.751 -6.368 1.00 0.00 N ATOM 777 CA ASP A 73 -7.548 9.406 -5.068 1.00 0.00 C ATOM 778 C ASP A 73 -6.366 8.847 -4.281 1.00 0.00 C ATOM 779 O ASP A 73 -6.504 7.873 -3.539 1.00 0.00 O ATOM 780 CB ASP A 73 -8.835 9.214 -4.260 1.00 0.00 C ATOM 781 CG ASP A 73 -8.952 10.195 -3.103 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.019 10.276 -2.277 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.994 10.889 -3.019 1.00 0.00 O ATOM 0 H ASP A 73 -7.760 7.738 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.392 10.471 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.695 9.332 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.868 8.196 -3.873 1.00 0.00 H new ATOM 788 N PRO A 74 -5.172 9.432 -4.460 1.00 0.00 N ATOM 789 CA PRO A 74 -3.978 9.034 -3.724 1.00 0.00 C ATOM 790 C PRO A 74 -3.920 9.672 -2.342 1.00 0.00 C ATOM 791 O PRO A 74 -3.155 9.243 -1.478 1.00 0.00 O ATOM 792 CB PRO A 74 -2.821 9.552 -4.595 1.00 0.00 C ATOM 793 CG PRO A 74 -3.458 10.180 -5.796 1.00 0.00 C ATOM 794 CD PRO A 74 -4.871 10.501 -5.410 1.00 0.00 C ATOM 0 HA PRO A 74 -3.948 7.958 -3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.217 10.277 -4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.157 8.738 -4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.922 11.082 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.433 9.501 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.956 11.488 -4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.543 10.486 -6.268 1.00 0.00 H new ATOM 802 N SER A 75 -4.749 10.688 -2.135 1.00 0.00 N ATOM 803 CA SER A 75 -4.736 11.460 -0.901 1.00 0.00 C ATOM 804 C SER A 75 -5.167 10.619 0.296 1.00 0.00 C ATOM 805 O SER A 75 -4.834 10.936 1.436 1.00 0.00 O ATOM 806 CB SER A 75 -5.631 12.687 -1.043 1.00 0.00 C ATOM 807 OG SER A 75 -5.198 13.502 -2.118 1.00 0.00 O ATOM 0 H SER A 75 -5.445 10.998 -2.814 1.00 0.00 H new ATOM 0 HA SER A 75 -3.711 11.784 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.662 12.374 -1.210 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.618 13.261 -0.117 1.00 0.00 H new ATOM 0 HG SER A 75 -5.786 14.283 -2.194 1.00 0.00 H new ATOM 813 N GLN A 76 -5.889 9.538 0.037 1.00 0.00 N ATOM 814 CA GLN A 76 -6.282 8.618 1.095 1.00 0.00 C ATOM 815 C GLN A 76 -5.065 7.921 1.700 1.00 0.00 C ATOM 816 O GLN A 76 -5.152 7.309 2.759 1.00 0.00 O ATOM 817 CB GLN A 76 -7.280 7.589 0.564 1.00 0.00 C ATOM 818 CG GLN A 76 -8.630 8.194 0.212 1.00 0.00 C ATOM 819 CD GLN A 76 -9.316 8.819 1.412 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.122 9.997 1.718 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.133 8.040 2.099 1.00 0.00 N ATOM 0 H GLN A 76 -6.214 9.277 -0.894 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.763 9.197 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.862 7.109 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.422 6.809 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.495 8.951 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.273 7.421 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.270 7.069 1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.627 8.409 2.911 1.00 0.00 H new ATOM 830 N ALA A 77 -3.927 8.034 1.030 1.00 0.00 N ATOM 831 CA ALA A 77 -2.689 7.453 1.524 1.00 0.00 C ATOM 832 C ALA A 77 -1.746 8.537 2.037 1.00 0.00 C ATOM 833 O ALA A 77 -0.565 8.287 2.280 1.00 0.00 O ATOM 834 CB ALA A 77 -2.018 6.638 0.429 1.00 0.00 C ATOM 0 H ALA A 77 -3.836 8.524 0.140 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.928 6.792 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.092 6.208 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.686 5.837 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.795 7.284 -0.420 1.00 0.00 H new ATOM 840 N SER A 78 -2.283 9.741 2.213 1.00 0.00 N ATOM 841 CA SER A 78 -1.496 10.893 2.650 1.00 0.00 C ATOM 842 C SER A 78 -0.783 10.624 3.974 1.00 0.00 C ATOM 843 O SER A 78 0.397 10.948 4.125 1.00 0.00 O ATOM 844 CB SER A 78 -2.393 12.126 2.790 1.00 0.00 C ATOM 845 OG SER A 78 -1.647 13.262 3.183 1.00 0.00 O ATOM 0 H SER A 78 -3.270 9.946 2.058 1.00 0.00 H new ATOM 0 HA SER A 78 -0.737 11.076 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.891 12.326 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.174 11.929 3.525 1.00 0.00 H new ATOM 0 HG SER A 78 -2.245 14.034 3.263 1.00 0.00 H new ATOM 851 N LYS A 79 -1.491 10.017 4.922 1.00 0.00 N ATOM 852 CA LYS A 79 -0.946 9.797 6.258 1.00 0.00 C ATOM 853 C LYS A 79 0.283 8.897 6.214 1.00 0.00 C ATOM 854 O LYS A 79 1.161 8.994 7.073 1.00 0.00 O ATOM 855 CB LYS A 79 -2.003 9.206 7.187 1.00 0.00 C ATOM 856 CG LYS A 79 -3.257 10.062 7.306 1.00 0.00 C ATOM 857 CD LYS A 79 -2.939 11.491 7.732 1.00 0.00 C ATOM 858 CE LYS A 79 -2.347 11.551 9.133 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.293 11.039 10.162 1.00 0.00 N ATOM 0 H LYS A 79 -2.441 9.669 4.791 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.642 10.767 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.282 8.217 6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.570 9.072 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.777 10.077 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.936 9.611 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.239 11.933 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.849 12.090 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.428 10.966 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.078 12.581 9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.940 11.282 11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.228 11.471 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.373 10.006 10.077 1.00 0.00 H new ATOM 872 N VAL A 80 0.354 8.037 5.205 1.00 0.00 N ATOM 873 CA VAL A 80 1.531 7.205 5.006 1.00 0.00 C ATOM 874 C VAL A 80 2.725 8.090 4.676 1.00 0.00 C ATOM 875 O VAL A 80 3.762 8.020 5.333 1.00 0.00 O ATOM 876 CB VAL A 80 1.322 6.166 3.878 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.594 5.365 3.638 1.00 0.00 C ATOM 878 CG2 VAL A 80 0.160 5.240 4.212 1.00 0.00 C ATOM 0 H VAL A 80 -0.386 7.899 4.516 1.00 0.00 H new ATOM 0 HA VAL A 80 1.713 6.655 5.929 1.00 0.00 H new ATOM 0 HB VAL A 80 1.081 6.703 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.423 4.641 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.400 6.040 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.871 4.840 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.028 4.517 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.370 4.713 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.752 5.827 4.325 1.00 0.00 H new ATOM 888 N CYS A 81 2.553 8.954 3.683 1.00 0.00 N ATOM 889 CA CYS A 81 3.597 9.892 3.294 1.00 0.00 C ATOM 890 C CYS A 81 3.983 10.780 4.473 1.00 0.00 C ATOM 891 O CYS A 81 5.158 11.071 4.682 1.00 0.00 O ATOM 892 CB CYS A 81 3.124 10.763 2.128 1.00 0.00 C ATOM 893 SG CYS A 81 2.474 9.831 0.707 1.00 0.00 S ATOM 0 H CYS A 81 1.698 9.024 3.132 1.00 0.00 H new ATOM 0 HA CYS A 81 4.470 9.319 2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.349 11.440 2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.956 11.381 1.791 1.00 0.00 H new ATOM 898 N GLN A 82 2.984 11.194 5.249 1.00 0.00 N ATOM 899 CA GLN A 82 3.213 12.054 6.405 1.00 0.00 C ATOM 900 C GLN A 82 4.096 11.360 7.438 1.00 0.00 C ATOM 901 O GLN A 82 5.061 11.945 7.924 1.00 0.00 O ATOM 902 CB GLN A 82 1.885 12.466 7.045 1.00 0.00 C ATOM 903 CG GLN A 82 0.970 13.265 6.125 1.00 0.00 C ATOM 904 CD GLN A 82 1.589 14.569 5.653 1.00 0.00 C ATOM 905 OE1 GLN A 82 1.460 15.602 6.308 1.00 0.00 O ATOM 906 NE2 GLN A 82 2.246 14.537 4.504 1.00 0.00 N ATOM 0 H GLN A 82 2.006 10.947 5.097 1.00 0.00 H new ATOM 0 HA GLN A 82 3.728 12.949 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.359 11.569 7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.092 13.058 7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.716 12.656 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.038 13.481 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.331 13.660 3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.667 15.389 4.133 1.00 0.00 H new ATOM 915 N ARG A 83 3.781 10.106 7.758 1.00 0.00 N ATOM 916 CA ARG A 83 4.568 9.350 8.733 1.00 0.00 C ATOM 917 C ARG A 83 5.949 8.992 8.189 1.00 0.00 C ATOM 918 O ARG A 83 6.874 8.716 8.954 1.00 0.00 O ATOM 919 CB ARG A 83 3.828 8.085 9.177 1.00 0.00 C ATOM 920 CG ARG A 83 2.825 8.315 10.303 1.00 0.00 C ATOM 921 CD ARG A 83 3.510 8.828 11.566 1.00 0.00 C ATOM 922 NE ARG A 83 2.635 8.780 12.740 1.00 0.00 N ATOM 923 CZ ARG A 83 2.817 9.526 13.827 1.00 0.00 C ATOM 924 NH1 ARG A 83 3.776 10.440 13.851 1.00 0.00 N ATOM 925 NH2 ARG A 83 2.033 9.380 14.883 1.00 0.00 N ATOM 0 H ARG A 83 2.993 9.595 7.361 1.00 0.00 H new ATOM 0 HA ARG A 83 4.706 9.995 9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.305 7.663 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.559 7.344 9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.071 9.033 9.979 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.304 7.383 10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.403 8.233 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.840 9.854 11.405 1.00 0.00 H new ATOM 0 HE ARG A 83 1.842 8.139 12.723 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.375 10.572 13.036 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.915 11.012 14.684 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.281 8.691 14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.181 9.957 15.711 1.00 0.00 H new ATOM 938 N LEU A 84 6.085 8.992 6.871 1.00 0.00 N ATOM 939 CA LEU A 84 7.390 8.803 6.240 1.00 0.00 C ATOM 940 C LEU A 84 8.161 10.120 6.197 1.00 0.00 C ATOM 941 O LEU A 84 9.312 10.158 5.768 1.00 0.00 O ATOM 942 CB LEU A 84 7.245 8.243 4.818 1.00 0.00 C ATOM 943 CG LEU A 84 7.280 6.715 4.685 1.00 0.00 C ATOM 944 CD1 LEU A 84 8.576 6.159 5.244 1.00 0.00 C ATOM 945 CD2 LEU A 84 6.087 6.075 5.372 1.00 0.00 C ATOM 0 H LEU A 84 5.313 9.120 6.217 1.00 0.00 H new ATOM 0 HA LEU A 84 7.944 8.082 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.303 8.602 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.043 8.659 4.203 1.00 0.00 H new ATOM 0 HG LEU A 84 7.227 6.472 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.581 5.074 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.419 6.580 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.660 6.423 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.140 4.992 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.097 6.331 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.166 6.442 4.918 1.00 0.00 H new ATOM 957 N ASN A 85 7.506 11.188 6.664 1.00 0.00 N ATOM 958 CA ASN A 85 8.070 12.539 6.667 1.00 0.00 C ATOM 959 C ASN A 85 8.250 13.070 5.252 1.00 0.00 C ATOM 960 O ASN A 85 9.158 13.855 4.974 1.00 0.00 O ATOM 961 CB ASN A 85 9.391 12.600 7.439 1.00 0.00 C ATOM 962 CG ASN A 85 9.188 12.496 8.938 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.977 13.502 9.621 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.251 11.285 9.464 1.00 0.00 N ATOM 0 H ASN A 85 6.564 11.138 7.052 1.00 0.00 H new ATOM 0 HA ASN A 85 7.354 13.181 7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.041 11.791 7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.901 13.535 7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.123 11.158 10.468 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.427 10.478 8.866 1.00 0.00 H new ATOM 971 N CYS A 86 7.367 12.647 4.363 1.00 0.00 N ATOM 972 CA CYS A 86 7.361 13.136 2.996 1.00 0.00 C ATOM 973 C CYS A 86 6.239 14.158 2.832 1.00 0.00 C ATOM 974 O CYS A 86 5.571 14.516 3.809 1.00 0.00 O ATOM 975 CB CYS A 86 7.170 11.975 2.014 1.00 0.00 C ATOM 976 SG CYS A 86 8.261 10.545 2.320 1.00 0.00 S ATOM 0 H CYS A 86 6.640 11.961 4.567 1.00 0.00 H new ATOM 0 HA CYS A 86 8.318 13.611 2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.133 11.642 2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.343 12.339 1.001 1.00 0.00 H new ATOM 981 N GLY A 87 6.024 14.625 1.614 1.00 0.00 N ATOM 982 CA GLY A 87 4.967 15.585 1.368 1.00 0.00 C ATOM 983 C GLY A 87 3.649 14.920 1.011 1.00 0.00 C ATOM 984 O GLY A 87 3.310 13.866 1.552 1.00 0.00 O ATOM 0 H GLY A 87 6.562 14.357 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.829 16.204 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.266 16.250 0.558 1.00 0.00 H new ATOM 988 N ASP A 88 2.910 15.544 0.105 1.00 0.00 N ATOM 989 CA ASP A 88 1.625 15.015 -0.346 1.00 0.00 C ATOM 990 C ASP A 88 1.826 13.824 -1.277 1.00 0.00 C ATOM 991 O ASP A 88 2.861 13.710 -1.942 1.00 0.00 O ATOM 992 CB ASP A 88 0.816 16.096 -1.075 1.00 0.00 C ATOM 993 CG ASP A 88 0.337 17.205 -0.159 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.716 17.037 0.492 1.00 0.00 O ATOM 995 OD2 ASP A 88 1.004 18.260 -0.096 1.00 0.00 O ATOM 0 H ASP A 88 3.178 16.423 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 88 1.075 14.690 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.429 16.527 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.046 15.633 -1.556 1.00 0.00 H new ATOM 1000 N PRO A 89 0.836 12.917 -1.325 1.00 0.00 N ATOM 1001 CA PRO A 89 0.865 11.757 -2.210 1.00 0.00 C ATOM 1002 C PRO A 89 0.493 12.125 -3.646 1.00 0.00 C ATOM 1003 O PRO A 89 -0.638 12.525 -3.930 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.171 10.816 -1.597 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.132 11.694 -0.872 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.391 12.956 -0.505 1.00 0.00 C ATOM 0 HA PRO A 89 1.858 11.314 -2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.677 10.234 -2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.299 10.105 -0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.994 11.922 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.510 11.196 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.986 13.843 -0.723 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.156 12.983 0.559 1.00 0.00 H new ATOM 1014 N LEU A 90 1.456 11.987 -4.544 1.00 0.00 N ATOM 1015 CA LEU A 90 1.279 12.357 -5.940 1.00 0.00 C ATOM 1016 C LEU A 90 0.494 11.293 -6.693 1.00 0.00 C ATOM 1017 O LEU A 90 -0.477 11.591 -7.389 1.00 0.00 O ATOM 1018 CB LEU A 90 2.644 12.547 -6.608 1.00 0.00 C ATOM 1019 CG LEU A 90 3.507 13.678 -6.043 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.863 13.702 -6.736 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.802 15.017 -6.203 1.00 0.00 C ATOM 0 H LEU A 90 2.381 11.616 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 90 0.719 13.292 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.201 11.614 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.486 12.731 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 90 3.664 13.498 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.467 14.511 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.371 12.751 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.722 13.861 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.430 15.810 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.618 15.207 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.853 14.995 -5.667 1.00 0.00 H new ATOM 1033 N SER A 91 0.911 10.050 -6.540 1.00 0.00 N ATOM 1034 CA SER A 91 0.320 8.956 -7.287 1.00 0.00 C ATOM 1035 C SER A 91 0.262 7.691 -6.445 1.00 0.00 C ATOM 1036 O SER A 91 1.104 7.476 -5.570 1.00 0.00 O ATOM 1037 CB SER A 91 1.119 8.710 -8.567 1.00 0.00 C ATOM 1038 OG SER A 91 1.123 9.864 -9.390 1.00 0.00 O ATOM 0 H SER A 91 1.658 9.773 -5.904 1.00 0.00 H new ATOM 0 HA SER A 91 -0.701 9.229 -7.552 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.143 8.435 -8.314 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.689 7.870 -9.113 1.00 0.00 H new ATOM 0 HG SER A 91 1.641 9.685 -10.202 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.742 6.870 -6.715 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.947 5.623 -5.994 1.00 0.00 C ATOM 1046 C LEU A 92 -1.536 4.584 -6.939 1.00 0.00 C ATOM 1047 O LEU A 92 -2.385 4.909 -7.770 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.898 5.851 -4.812 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.252 4.604 -3.992 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.064 4.143 -3.161 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.456 4.875 -3.097 1.00 0.00 C ATOM 0 H LEU A 92 -1.437 7.050 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 92 0.009 5.266 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.449 6.586 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.822 6.288 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.510 3.805 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.342 3.258 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.230 3.902 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.768 4.938 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.692 3.979 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.225 5.693 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.313 5.148 -3.713 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.082 3.349 -6.827 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.619 2.296 -7.667 1.00 0.00 C ATOM 1065 C GLY A 93 -0.585 1.248 -8.016 1.00 0.00 C ATOM 1066 O GLY A 93 0.404 1.100 -7.299 1.00 0.00 O ATOM 0 H GLY A 93 -0.356 3.054 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.456 1.820 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.012 2.733 -8.585 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.792 0.495 -9.109 1.00 0.00 N ATOM 1071 CA PRO A 94 0.162 -0.520 -9.571 1.00 0.00 C ATOM 1072 C PRO A 94 1.482 0.105 -10.019 1.00 0.00 C ATOM 1073 O PRO A 94 1.641 0.473 -11.183 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.547 -1.184 -10.764 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.978 -0.777 -10.652 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.973 0.567 -9.983 1.00 0.00 C ATOM 0 HA PRO A 94 0.421 -1.223 -8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.118 -0.853 -11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.443 -2.268 -10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.446 -0.722 -11.635 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.546 -1.502 -10.068 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.891 1.378 -10.707 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.887 0.738 -9.414 1.00 0.00 H new ATOM 1084 N PHE A 95 2.421 0.224 -9.090 1.00 0.00 N ATOM 1085 CA PHE A 95 3.706 0.851 -9.372 1.00 0.00 C ATOM 1086 C PHE A 95 4.562 -0.077 -10.222 1.00 0.00 C ATOM 1087 O PHE A 95 4.699 0.119 -11.431 1.00 0.00 O ATOM 1088 CB PHE A 95 4.420 1.201 -8.059 1.00 0.00 C ATOM 1089 CG PHE A 95 5.645 2.060 -8.223 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.538 3.359 -8.696 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.901 1.572 -7.895 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.660 4.152 -8.842 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.025 2.362 -8.037 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.905 3.653 -8.511 1.00 0.00 C ATOM 0 H PHE A 95 2.316 -0.107 -8.131 1.00 0.00 H new ATOM 0 HA PHE A 95 3.540 1.773 -9.929 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.717 1.715 -7.404 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.705 0.276 -7.558 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.567 3.755 -8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.001 0.563 -7.524 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.564 5.161 -9.215 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.997 1.970 -7.777 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.783 4.272 -8.623 1.00 0.00 H new ATOM 1104 N LEU A 96 5.110 -1.101 -9.590 1.00 0.00 N ATOM 1105 CA LEU A 96 5.899 -2.107 -10.286 1.00 0.00 C ATOM 1106 C LEU A 96 5.421 -3.492 -9.890 1.00 0.00 C ATOM 1107 O LEU A 96 4.958 -3.700 -8.767 1.00 0.00 O ATOM 1108 CB LEU A 96 7.395 -1.962 -9.967 1.00 0.00 C ATOM 1109 CG LEU A 96 8.228 -1.188 -11.001 1.00 0.00 C ATOM 1110 CD1 LEU A 96 7.862 0.289 -11.023 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.713 -1.358 -10.718 1.00 0.00 C ATOM 0 H LEU A 96 5.022 -1.259 -8.586 1.00 0.00 H new ATOM 0 HA LEU A 96 5.767 -1.963 -11.358 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.495 -1.465 -9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.822 -2.959 -9.857 1.00 0.00 H new ATOM 0 HG LEU A 96 8.003 -1.602 -11.984 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.471 0.804 -11.766 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.808 0.399 -11.279 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.044 0.724 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.290 -0.804 -11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.940 -0.977 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.975 -2.415 -10.770 1.00 0.00 H new ATOM 1123 N LYS A 97 5.515 -4.435 -10.809 1.00 0.00 N ATOM 1124 CA LYS A 97 5.087 -5.794 -10.537 1.00 0.00 C ATOM 1125 C LYS A 97 6.250 -6.619 -10.013 1.00 0.00 C ATOM 1126 O LYS A 97 6.992 -7.222 -10.783 1.00 0.00 O ATOM 1127 CB LYS A 97 4.484 -6.439 -11.793 1.00 0.00 C ATOM 1128 CG LYS A 97 3.958 -7.852 -11.571 1.00 0.00 C ATOM 1129 CD LYS A 97 3.192 -8.361 -12.783 1.00 0.00 C ATOM 1130 CE LYS A 97 4.080 -8.493 -14.013 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.064 -9.602 -13.885 1.00 0.00 N ATOM 0 H LYS A 97 5.883 -4.285 -11.748 1.00 0.00 H new ATOM 0 HA LYS A 97 4.312 -5.764 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.670 -5.812 -12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.242 -6.463 -12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.791 -8.522 -11.359 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.307 -7.866 -10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.750 -9.330 -12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.369 -7.680 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.457 -8.663 -14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.612 -7.556 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.403 -9.876 -14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.869 -9.287 -13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.609 -10.419 -13.430 1.00 0.00 H new ATOM 1144 N THR A 98 6.410 -6.620 -8.697 1.00 0.00 N ATOM 1145 CA THR A 98 7.435 -7.425 -8.050 1.00 0.00 C ATOM 1146 C THR A 98 7.104 -8.906 -8.205 1.00 0.00 C ATOM 1147 O THR A 98 8.000 -9.750 -8.229 1.00 0.00 O ATOM 1148 CB THR A 98 7.540 -7.068 -6.556 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.552 -5.641 -6.404 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.798 -7.658 -5.931 1.00 0.00 C ATOM 0 H THR A 98 5.840 -6.070 -8.055 1.00 0.00 H new ATOM 0 HA THR A 98 8.393 -7.216 -8.526 1.00 0.00 H new ATOM 0 HB THR A 98 6.676 -7.491 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.391 -5.364 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.842 -7.387 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.777 -8.744 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.677 -7.266 -6.443 1.00 0.00 H new ATOM 1158 N TYR A 99 5.812 -9.205 -8.341 1.00 0.00 N ATOM 1159 CA TYR A 99 5.347 -10.569 -8.597 1.00 0.00 C ATOM 1160 C TYR A 99 5.769 -11.505 -7.465 1.00 0.00 C ATOM 1161 O TYR A 99 6.700 -12.305 -7.603 1.00 0.00 O ATOM 1162 CB TYR A 99 5.893 -11.064 -9.943 1.00 0.00 C ATOM 1163 CG TYR A 99 5.131 -12.228 -10.545 1.00 0.00 C ATOM 1164 CD1 TYR A 99 5.422 -13.541 -10.191 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.133 -12.010 -11.487 1.00 0.00 C ATOM 1166 CE1 TYR A 99 4.741 -14.599 -10.757 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.444 -13.064 -12.053 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.753 -14.356 -11.686 1.00 0.00 C ATOM 1169 OH TYR A 99 3.079 -15.406 -12.261 1.00 0.00 O ATOM 0 H TYR A 99 5.063 -8.515 -8.278 1.00 0.00 H new ATOM 0 HA TYR A 99 4.258 -10.565 -8.641 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.883 -10.235 -10.651 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.934 -11.358 -9.812 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.194 -13.736 -9.461 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.892 -10.999 -11.781 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.981 -15.613 -10.473 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.667 -12.877 -12.779 1.00 0.00 H new ATOM 0 HH TYR A 99 2.414 -15.061 -12.893 1.00 0.00 H new ATOM 1179 N THR A 100 5.093 -11.384 -6.339 1.00 0.00 N ATOM 1180 CA THR A 100 5.354 -12.239 -5.197 1.00 0.00 C ATOM 1181 C THR A 100 4.037 -12.634 -4.528 1.00 0.00 C ATOM 1182 O THR A 100 3.703 -12.140 -3.449 1.00 0.00 O ATOM 1183 CB THR A 100 6.267 -11.532 -4.177 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.393 -10.956 -4.853 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.756 -12.508 -3.119 1.00 0.00 C ATOM 0 H THR A 100 4.354 -10.697 -6.190 1.00 0.00 H new ATOM 0 HA THR A 100 5.863 -13.135 -5.551 1.00 0.00 H new ATOM 0 HB THR A 100 5.690 -10.748 -3.686 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.971 -10.506 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.399 -11.985 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.901 -12.930 -2.590 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.319 -13.310 -3.596 1.00 0.00 H new ATOM 1193 N PRO A 101 3.269 -13.532 -5.174 1.00 0.00 N ATOM 1194 CA PRO A 101 1.942 -13.948 -4.700 1.00 0.00 C ATOM 1195 C PRO A 101 2.007 -14.812 -3.442 1.00 0.00 C ATOM 1196 O PRO A 101 1.686 -16.001 -3.472 1.00 0.00 O ATOM 1197 CB PRO A 101 1.366 -14.756 -5.877 1.00 0.00 C ATOM 1198 CG PRO A 101 2.281 -14.498 -7.029 1.00 0.00 C ATOM 1199 CD PRO A 101 3.623 -14.218 -6.423 1.00 0.00 C ATOM 0 HA PRO A 101 1.333 -13.088 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.325 -15.819 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.348 -14.441 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.324 -15.359 -7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.935 -13.652 -7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.184 -15.134 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.238 -13.592 -7.070 1.00 0.00 H new ATOM 1207 N GLN A 102 2.426 -14.202 -2.342 1.00 0.00 N ATOM 1208 CA GLN A 102 2.509 -14.877 -1.051 1.00 0.00 C ATOM 1209 C GLN A 102 2.846 -13.864 0.035 1.00 0.00 C ATOM 1210 O GLN A 102 2.206 -13.820 1.084 1.00 0.00 O ATOM 1211 CB GLN A 102 3.571 -15.984 -1.079 1.00 0.00 C ATOM 1212 CG GLN A 102 3.581 -16.848 0.174 1.00 0.00 C ATOM 1213 CD GLN A 102 4.684 -17.890 0.170 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.071 -18.346 -1.011 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 5.185 -18.284 1.223 1.00 0.00 N flip ATOM 0 H GLN A 102 2.718 -13.225 -2.318 1.00 0.00 H new ATOM 0 HA GLN A 102 1.543 -15.335 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.399 -16.620 -1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.554 -15.530 -1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.697 -16.208 1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.617 -17.348 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.860 -17.909 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.925 -18.986 1.204 1.00 0.00 H new ATOM 1224 N SER A 103 3.844 -13.032 -0.238 1.00 0.00 N ATOM 1225 CA SER A 103 4.277 -12.014 0.708 1.00 0.00 C ATOM 1226 C SER A 103 3.424 -10.757 0.555 1.00 0.00 C ATOM 1227 O SER A 103 3.567 -9.793 1.314 1.00 0.00 O ATOM 1228 CB SER A 103 5.760 -11.689 0.487 1.00 0.00 C ATOM 1229 OG SER A 103 6.258 -10.807 1.481 1.00 0.00 O ATOM 0 H SER A 103 4.370 -13.044 -1.112 1.00 0.00 H new ATOM 0 HA SER A 103 4.152 -12.395 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.340 -12.612 0.496 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.891 -11.239 -0.497 1.00 0.00 H new ATOM 0 HG SER A 103 5.564 -10.157 1.718 1.00 0.00 H new ATOM 1235 N SER A 104 2.541 -10.776 -0.434 1.00 0.00 N ATOM 1236 CA SER A 104 1.653 -9.661 -0.686 1.00 0.00 C ATOM 1237 C SER A 104 0.230 -9.999 -0.246 1.00 0.00 C ATOM 1238 O SER A 104 -0.232 -11.136 -0.399 1.00 0.00 O ATOM 1239 CB SER A 104 1.683 -9.294 -2.171 1.00 0.00 C ATOM 1240 OG SER A 104 1.395 -10.420 -2.984 1.00 0.00 O ATOM 0 H SER A 104 2.424 -11.560 -1.076 1.00 0.00 H new ATOM 0 HA SER A 104 1.994 -8.803 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.957 -8.505 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.664 -8.897 -2.430 1.00 0.00 H new ATOM 0 HG SER A 104 0.975 -10.122 -3.818 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.454 -9.019 0.317 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.825 -9.198 0.751 1.00 0.00 C ATOM 1248 C ILE A 105 -2.762 -8.313 -0.056 1.00 0.00 C ATOM 1249 O ILE A 105 -2.367 -7.259 -0.553 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.011 -8.888 2.253 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.540 -7.463 2.571 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.282 -9.917 3.107 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.751 -7.050 4.011 1.00 0.00 C ATOM 0 H ILE A 105 -0.078 -8.086 0.484 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.068 -10.248 0.586 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.073 -8.950 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.480 -7.380 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.068 -6.764 1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.425 -9.682 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.681 -10.910 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.218 -9.897 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.392 -6.031 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.813 -7.098 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.200 -7.724 4.667 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.998 -8.751 -0.185 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.010 -7.993 -0.887 1.00 0.00 C ATOM 1267 C ILE A 106 -6.175 -7.721 0.063 1.00 0.00 C ATOM 1268 O ILE A 106 -6.681 -8.633 0.724 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.488 -8.728 -2.170 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.384 -7.815 -3.010 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.212 -10.026 -1.832 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -6.925 -8.474 -4.264 1.00 0.00 C ATOM 0 H ILE A 106 -4.327 -9.639 0.193 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.581 -7.045 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.605 -8.984 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.221 -7.479 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.819 -6.927 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.533 -10.514 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.538 -10.687 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.083 -9.807 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.551 -7.765 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.095 -8.785 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.519 -9.346 -3.990 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.557 -6.466 0.174 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.607 -6.071 1.100 1.00 0.00 C ATOM 1286 C CYS A 107 -8.905 -5.793 0.360 1.00 0.00 C ATOM 1287 O CYS A 107 -8.894 -5.349 -0.790 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.173 -4.836 1.891 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.625 -5.065 2.825 1.00 0.00 S ATOM 0 H CYS A 107 -6.157 -5.698 -0.365 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.780 -6.894 1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.050 -4.000 1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.968 -4.563 2.585 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.021 -6.069 1.017 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.329 -5.830 0.435 1.00 0.00 C ATOM 1296 C TYR A 108 -12.330 -5.446 1.519 1.00 0.00 C ATOM 1297 O TYR A 108 -12.071 -5.639 2.707 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.802 -7.062 -0.352 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.568 -8.390 0.348 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.498 -8.904 1.241 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.417 -9.132 0.102 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -12.288 -10.117 1.870 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.201 -10.346 0.725 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.139 -10.835 1.608 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.927 -12.045 2.232 1.00 0.00 O ATOM 0 H TYR A 108 -10.045 -6.461 1.958 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.255 -4.997 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.867 -6.958 -0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.292 -7.079 -1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.400 -8.347 1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.679 -8.752 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.021 -10.501 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.302 -10.909 0.521 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.967 -12.170 2.385 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.457 -4.879 1.109 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.451 -4.428 2.060 1.00 0.00 C ATOM 1317 C GLY A 109 -14.635 -2.927 2.002 1.00 0.00 C ATOM 1318 O GLY A 109 -15.057 -2.389 0.977 1.00 0.00 O ATOM 0 H GLY A 109 -13.700 -4.723 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.402 -4.920 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.152 -4.720 3.067 1.00 0.00 H new ATOM 1322 N GLN A 110 -14.301 -2.250 3.089 1.00 0.00 N ATOM 1323 CA GLN A 110 -14.401 -0.799 3.141 1.00 0.00 C ATOM 1324 C GLN A 110 -13.087 -0.173 2.694 1.00 0.00 C ATOM 1325 O GLN A 110 -12.015 -0.745 2.907 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.752 -0.318 4.555 1.00 0.00 C ATOM 1327 CG GLN A 110 -16.006 -0.950 5.143 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.745 -2.312 5.756 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.543 -2.502 6.280 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -16.613 -3.182 5.761 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.958 -2.681 3.947 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.200 -0.489 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.911 -0.527 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.881 0.764 4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.419 -0.287 5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.759 -1.047 4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.526 -2.994 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.421 -4.092 6.180 1.00 0.00 H new ATOM 1339 N LEU A 111 -13.176 0.998 2.079 1.00 0.00 N ATOM 1340 CA LEU A 111 -12.012 1.666 1.513 1.00 0.00 C ATOM 1341 C LEU A 111 -11.048 2.109 2.611 1.00 0.00 C ATOM 1342 O LEU A 111 -11.357 3.000 3.403 1.00 0.00 O ATOM 1343 CB LEU A 111 -12.454 2.876 0.681 1.00 0.00 C ATOM 1344 CG LEU A 111 -11.322 3.690 0.039 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -10.552 2.855 -0.980 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -11.875 4.951 -0.609 1.00 0.00 C ATOM 0 H LEU A 111 -14.051 1.509 1.959 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.492 0.958 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -13.119 2.527 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -13.037 3.540 1.319 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.627 3.980 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.757 3.458 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.118 1.986 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.231 2.523 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.059 5.516 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.596 4.678 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.367 5.563 0.147 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.884 1.475 2.653 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.877 1.832 3.632 1.00 0.00 C ATOM 1360 C GLY A 112 -8.810 0.849 4.784 1.00 0.00 C ATOM 1361 O GLY A 112 -7.915 0.931 5.623 1.00 0.00 O ATOM 0 H GLY A 112 -9.619 0.717 2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.903 1.882 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.090 2.828 4.021 1.00 0.00 H new ATOM 1365 N SER A 113 -9.753 -0.084 4.827 1.00 0.00 N ATOM 1366 CA SER A 113 -9.796 -1.074 5.889 1.00 0.00 C ATOM 1367 C SER A 113 -8.765 -2.180 5.670 1.00 0.00 C ATOM 1368 O SER A 113 -8.902 -3.000 4.761 1.00 0.00 O ATOM 1369 CB SER A 113 -11.194 -1.682 5.985 1.00 0.00 C ATOM 1370 OG SER A 113 -12.170 -0.685 6.237 1.00 0.00 O ATOM 0 H SER A 113 -10.498 -0.174 4.136 1.00 0.00 H new ATOM 0 HA SER A 113 -9.553 -0.567 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.432 -2.201 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.216 -2.426 6.781 1.00 0.00 H new ATOM 0 HG SER A 113 -12.130 -0.003 5.534 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.739 -2.191 6.510 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.743 -3.260 6.512 1.00 0.00 C ATOM 1378 C PHE A 114 -7.115 -4.318 7.546 1.00 0.00 C ATOM 1379 O PHE A 114 -6.279 -5.108 7.982 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.348 -2.705 6.826 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.748 -1.872 5.726 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.989 -0.509 5.659 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.933 -2.453 4.767 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.431 0.258 4.655 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.371 -1.689 3.762 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.620 -0.332 3.706 1.00 0.00 C ATOM 0 H PHE A 114 -7.572 -1.465 7.206 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.725 -3.710 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.406 -2.101 7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.679 -3.538 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.620 -0.041 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.735 -3.514 4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.629 1.319 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.737 -2.153 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.181 0.267 2.921 1.00 0.00 H new ATOM 1396 N SER A 115 -8.381 -4.319 7.940 1.00 0.00 N ATOM 1397 CA SER A 115 -8.867 -5.243 8.951 1.00 0.00 C ATOM 1398 C SER A 115 -9.394 -6.523 8.299 1.00 0.00 C ATOM 1399 O SER A 115 -9.680 -7.508 8.979 1.00 0.00 O ATOM 1400 CB SER A 115 -9.966 -4.569 9.777 1.00 0.00 C ATOM 1401 OG SER A 115 -10.293 -5.322 10.933 1.00 0.00 O ATOM 0 H SER A 115 -9.092 -3.687 7.572 1.00 0.00 H new ATOM 0 HA SER A 115 -8.043 -5.514 9.611 1.00 0.00 H new ATOM 0 HB2 SER A 115 -9.639 -3.572 10.073 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.857 -4.442 9.162 1.00 0.00 H new ATOM 0 HG SER A 115 -10.250 -6.278 10.723 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.507 -6.504 6.978 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.027 -7.639 6.230 1.00 0.00 C ATOM 1409 C ASN A 116 -9.189 -7.852 4.972 1.00 0.00 C ATOM 1410 O ASN A 116 -9.587 -7.486 3.865 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.503 -7.406 5.873 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.174 -8.614 5.235 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.756 -9.813 5.617 1.00 0.00 O flip ATOM 1414 ND2 ASN A 116 -13.081 -8.469 4.420 1.00 0.00 N flip ATOM 0 H ASN A 116 -9.243 -5.707 6.399 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.965 -8.537 6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.048 -7.133 6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.574 -6.559 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -13.378 -7.532 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.538 -9.286 4.015 1.00 0.00 H new ATOM 1421 N CYS A 117 -8.008 -8.418 5.159 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.086 -8.643 4.057 1.00 0.00 C ATOM 1423 C CYS A 117 -6.675 -10.109 4.002 1.00 0.00 C ATOM 1424 O CYS A 117 -6.606 -10.780 5.033 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.847 -7.760 4.223 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.221 -6.001 4.524 1.00 0.00 S ATOM 0 H CYS A 117 -7.664 -8.731 6.067 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.587 -8.384 3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.251 -8.141 5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.233 -7.841 3.326 1.00 0.00 H new ATOM 1431 N SER A 118 -6.411 -10.598 2.803 1.00 0.00 N ATOM 1432 CA SER A 118 -5.999 -11.980 2.604 1.00 0.00 C ATOM 1433 C SER A 118 -4.777 -12.026 1.691 1.00 0.00 C ATOM 1434 O SER A 118 -4.402 -11.013 1.108 1.00 0.00 O ATOM 1435 CB SER A 118 -7.153 -12.781 1.998 1.00 0.00 C ATOM 1436 OG SER A 118 -8.329 -12.649 2.782 1.00 0.00 O ATOM 0 H SER A 118 -6.475 -10.053 1.943 1.00 0.00 H new ATOM 0 HA SER A 118 -5.734 -12.423 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.347 -12.435 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.874 -13.832 1.928 1.00 0.00 H new ATOM 0 HG SER A 118 -8.104 -12.237 3.642 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.157 -13.191 1.567 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.968 -13.331 0.732 1.00 0.00 C ATOM 1444 C HIS A 119 -3.344 -13.299 -0.740 1.00 0.00 C ATOM 1445 O HIS A 119 -4.322 -13.925 -1.151 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.222 -14.632 1.044 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.547 -14.640 2.379 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.483 -15.759 3.180 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.883 -13.664 3.044 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.813 -15.474 4.280 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -0.434 -14.209 4.221 1.00 0.00 N ATOM 0 H HIS A 119 -4.454 -14.050 2.030 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.309 -12.492 0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.926 -15.463 0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.475 -14.805 0.269 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.735 -12.648 2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.609 -16.158 5.091 1.00 0.00 H new ATOM 0 HE2 HIS A 119 0.105 -13.718 4.934 1.00 0.00 H new ATOM 1459 N SER A 120 -2.570 -12.570 -1.532 1.00 0.00 N ATOM 1460 CA SER A 120 -2.818 -12.473 -2.959 1.00 0.00 C ATOM 1461 C SER A 120 -2.182 -13.655 -3.682 1.00 0.00 C ATOM 1462 O SER A 120 -1.055 -13.568 -4.161 1.00 0.00 O ATOM 1463 CB SER A 120 -2.257 -11.158 -3.500 1.00 0.00 C ATOM 1464 OG SER A 120 -2.700 -10.065 -2.718 1.00 0.00 O ATOM 0 H SER A 120 -1.764 -12.037 -1.207 1.00 0.00 H new ATOM 0 HA SER A 120 -3.894 -12.493 -3.133 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.168 -11.194 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.571 -11.022 -4.535 1.00 0.00 H new ATOM 0 HG SER A 120 -1.946 -9.701 -2.208 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.906 -14.762 -3.747 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.402 -15.967 -4.384 1.00 0.00 C ATOM 1472 C ARG A 121 -2.912 -16.043 -5.817 1.00 0.00 C ATOM 1473 O ARG A 121 -3.265 -17.115 -6.308 1.00 0.00 O ATOM 1474 CB ARG A 121 -2.845 -17.209 -3.602 1.00 0.00 C ATOM 1475 CG ARG A 121 -2.516 -17.153 -2.117 1.00 0.00 C ATOM 1476 CD ARG A 121 -1.016 -17.127 -1.863 1.00 0.00 C ATOM 1477 NE ARG A 121 -0.371 -18.396 -2.204 1.00 0.00 N ATOM 1478 CZ ARG A 121 0.250 -19.164 -1.310 1.00 0.00 C ATOM 1479 NH1 ARG A 121 0.288 -18.796 -0.037 1.00 0.00 N ATOM 1480 NH2 ARG A 121 0.835 -20.292 -1.680 1.00 0.00 N ATOM 0 H ARG A 121 -3.848 -14.850 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.313 -15.932 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.921 -17.337 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.370 -18.088 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.973 -16.266 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.953 -18.017 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.565 -16.325 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.832 -16.899 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.398 -18.708 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.158 -17.927 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.763 -19.382 0.649 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.813 -20.581 -2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.308 -20.872 -0.987 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.956 -14.898 -6.481 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.497 -14.816 -7.832 1.00 0.00 C ATOM 1495 C ASN A 122 -2.379 -14.886 -8.869 1.00 0.00 C ATOM 1496 O ASN A 122 -1.259 -15.293 -8.562 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.311 -13.525 -8.019 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.471 -12.258 -7.934 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -2.498 -12.185 -7.186 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -3.842 -11.251 -8.711 1.00 0.00 N ATOM 0 H ASN A 122 -2.623 -14.010 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.161 -15.668 -7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.809 -13.556 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.092 -13.485 -7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.314 -10.378 -8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.655 -11.349 -9.319 1.00 0.00 H new ATOM 1507 N ASP A 123 -2.703 -14.496 -10.096 1.00 0.00 N ATOM 1508 CA ASP A 123 -1.752 -14.528 -11.203 1.00 0.00 C ATOM 1509 C ASP A 123 -0.658 -13.469 -11.047 1.00 0.00 C ATOM 1510 O ASP A 123 0.393 -13.725 -10.460 1.00 0.00 O ATOM 1511 CB ASP A 123 -2.492 -14.353 -12.540 1.00 0.00 C ATOM 1512 CG ASP A 123 -3.547 -13.256 -12.501 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -4.704 -13.555 -12.134 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -3.220 -12.091 -12.821 1.00 0.00 O ATOM 0 H ASP A 123 -3.628 -14.150 -10.352 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.261 -15.501 -11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -1.768 -14.124 -13.322 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.967 -15.296 -12.811 1.00 0.00 H new ATOM 1519 N MET A 124 -0.911 -12.278 -11.560 1.00 0.00 N ATOM 1520 CA MET A 124 0.062 -11.203 -11.516 1.00 0.00 C ATOM 1521 C MET A 124 -0.337 -10.162 -10.482 1.00 0.00 C ATOM 1522 O MET A 124 -1.012 -9.184 -10.804 1.00 0.00 O ATOM 1523 CB MET A 124 0.193 -10.531 -12.887 1.00 0.00 C ATOM 1524 CG MET A 124 0.642 -11.460 -14.003 1.00 0.00 C ATOM 1525 SD MET A 124 0.891 -10.588 -15.564 1.00 0.00 S ATOM 1526 CE MET A 124 1.359 -11.942 -16.642 1.00 0.00 C ATOM 0 H MET A 124 -1.790 -12.031 -12.015 1.00 0.00 H new ATOM 0 HA MET A 124 1.023 -11.636 -11.238 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.769 -10.096 -13.158 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.904 -9.708 -12.808 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.571 -11.951 -13.712 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.103 -12.243 -14.142 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.546 -11.560 -17.646 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.263 -12.416 -16.260 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.553 -12.675 -16.677 1.00 0.00 H new ATOM 1536 N CYS A 125 0.052 -10.383 -9.239 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.151 -9.382 -8.200 1.00 0.00 C ATOM 1538 C CYS A 125 0.817 -8.221 -8.406 1.00 0.00 C ATOM 1539 O CYS A 125 2.034 -8.416 -8.478 1.00 0.00 O ATOM 1540 CB CYS A 125 0.033 -9.988 -6.801 1.00 0.00 C ATOM 1541 SG CYS A 125 0.096 -8.763 -5.445 1.00 0.00 S ATOM 0 H CYS A 125 0.507 -11.239 -8.923 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.175 -9.015 -8.272 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.786 -10.682 -6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.954 -10.571 -6.790 1.00 0.00 H new ATOM 1546 N HIS A 126 0.268 -7.022 -8.537 1.00 0.00 N ATOM 1547 CA HIS A 126 1.080 -5.828 -8.702 1.00 0.00 C ATOM 1548 C HIS A 126 1.288 -5.162 -7.351 1.00 0.00 C ATOM 1549 O HIS A 126 0.359 -5.074 -6.547 1.00 0.00 O ATOM 1550 CB HIS A 126 0.423 -4.842 -9.678 1.00 0.00 C ATOM 1551 CG HIS A 126 0.407 -5.302 -11.106 1.00 0.00 C ATOM 1552 ND1 HIS A 126 1.118 -4.673 -12.109 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.250 -6.324 -11.702 1.00 0.00 C ATOM 1554 CE1 HIS A 126 0.898 -5.286 -13.256 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.074 -6.293 -13.037 1.00 0.00 N ATOM 0 H HIS A 126 -0.738 -6.851 -8.532 1.00 0.00 H new ATOM 0 HA HIS A 126 2.044 -6.122 -9.117 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.602 -4.660 -9.356 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.949 -3.889 -9.622 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -0.907 -7.032 -11.218 1.00 0.00 H new ATOM 0 HE1 HIS A 126 1.320 -5.011 -14.211 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.267 -6.944 -13.745 1.00 0.00 H new ATOM 1563 N SER A 127 2.505 -4.714 -7.093 1.00 0.00 N ATOM 1564 CA SER A 127 2.821 -4.065 -5.833 1.00 0.00 C ATOM 1565 C SER A 127 2.212 -2.668 -5.791 1.00 0.00 C ATOM 1566 O SER A 127 2.427 -1.858 -6.699 1.00 0.00 O ATOM 1567 CB SER A 127 4.338 -3.991 -5.657 1.00 0.00 C ATOM 1568 OG SER A 127 4.929 -5.268 -5.848 1.00 0.00 O ATOM 0 H SER A 127 3.290 -4.788 -7.740 1.00 0.00 H new ATOM 0 HA SER A 127 2.398 -4.649 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.757 -3.281 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.576 -3.620 -4.660 1.00 0.00 H new ATOM 0 HG SER A 127 5.855 -5.158 -6.148 1.00 0.00 H new ATOM 1574 N LEU A 128 1.431 -2.398 -4.749 1.00 0.00 N ATOM 1575 CA LEU A 128 0.826 -1.086 -4.577 1.00 0.00 C ATOM 1576 C LEU A 128 1.912 -0.060 -4.293 1.00 0.00 C ATOM 1577 O LEU A 128 2.557 -0.096 -3.245 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.203 -1.101 -3.440 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.941 0.222 -3.201 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.791 0.599 -4.405 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.805 0.129 -1.954 1.00 0.00 C ATOM 0 H LEU A 128 1.204 -3.069 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 128 0.305 -0.817 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.940 -1.875 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.304 -1.386 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.195 1.003 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.303 1.541 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.152 0.709 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.528 -0.183 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.322 1.076 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.538 -0.669 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.176 -0.087 -1.091 1.00 0.00 H new ATOM 1593 N GLY A 129 2.122 0.833 -5.241 1.00 0.00 N ATOM 1594 CA GLY A 129 3.157 1.826 -5.105 1.00 0.00 C ATOM 1595 C GLY A 129 2.597 3.180 -4.758 1.00 0.00 C ATOM 1596 O GLY A 129 1.563 3.590 -5.293 1.00 0.00 O ATOM 0 H GLY A 129 1.589 0.887 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.859 1.515 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.719 1.894 -6.036 1.00 0.00 H new ATOM 1600 N LEU A 130 3.269 3.869 -3.858 1.00 0.00 N ATOM 1601 CA LEU A 130 2.860 5.198 -3.459 1.00 0.00 C ATOM 1602 C LEU A 130 4.007 6.174 -3.689 1.00 0.00 C ATOM 1603 O LEU A 130 5.122 5.955 -3.211 1.00 0.00 O ATOM 1604 CB LEU A 130 2.443 5.194 -1.986 1.00 0.00 C ATOM 1605 CG LEU A 130 1.976 6.539 -1.424 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.749 7.045 -2.169 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.678 6.412 0.062 1.00 0.00 C ATOM 0 H LEU A 130 4.106 3.526 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 130 2.006 5.512 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.640 4.469 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.286 4.845 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 130 2.778 7.264 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.438 8.002 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.991 7.172 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.062 6.324 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.347 7.375 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.894 5.670 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.580 6.099 0.588 1.00 0.00 H new ATOM 1619 N THR A 131 3.743 7.223 -4.449 1.00 0.00 N ATOM 1620 CA THR A 131 4.748 8.234 -4.719 1.00 0.00 C ATOM 1621 C THR A 131 4.419 9.521 -3.971 1.00 0.00 C ATOM 1622 O THR A 131 3.461 10.217 -4.307 1.00 0.00 O ATOM 1623 CB THR A 131 4.850 8.529 -6.228 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.083 7.308 -6.946 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.974 9.514 -6.522 1.00 0.00 C ATOM 0 H THR A 131 2.840 7.396 -4.890 1.00 0.00 H new ATOM 0 HA THR A 131 5.707 7.848 -4.374 1.00 0.00 H new ATOM 0 HB THR A 131 3.909 8.975 -6.551 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.146 7.499 -7.905 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.021 9.702 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.784 10.450 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.922 9.095 -6.185 1.00 0.00 H new ATOM 1633 N CYS A 132 5.203 9.820 -2.950 1.00 0.00 N ATOM 1634 CA CYS A 132 5.002 11.020 -2.153 1.00 0.00 C ATOM 1635 C CYS A 132 6.079 12.045 -2.489 1.00 0.00 C ATOM 1636 O CYS A 132 7.208 11.677 -2.815 1.00 0.00 O ATOM 1637 CB CYS A 132 5.058 10.666 -0.664 1.00 0.00 C ATOM 1638 SG CYS A 132 4.139 9.152 -0.232 1.00 0.00 S ATOM 0 H CYS A 132 5.990 9.245 -2.651 1.00 0.00 H new ATOM 0 HA CYS A 132 4.024 11.446 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.100 10.544 -0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.658 11.500 -0.087 1.00 0.00 H new ATOM 1643 N LEU A 133 5.722 13.327 -2.435 1.00 0.00 N ATOM 1644 CA LEU A 133 6.687 14.396 -2.667 1.00 0.00 C ATOM 1645 C LEU A 133 7.864 14.280 -1.705 1.00 0.00 C ATOM 1646 O LEU A 133 7.679 14.225 -0.490 1.00 0.00 O ATOM 1647 CB LEU A 133 6.029 15.771 -2.512 1.00 0.00 C ATOM 1648 CG LEU A 133 5.200 16.253 -3.705 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.427 17.510 -3.337 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.097 16.525 -4.906 1.00 0.00 C ATOM 0 H LEU A 133 4.775 13.648 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 133 7.053 14.295 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.385 15.747 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.810 16.506 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 133 4.492 15.468 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.842 17.842 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.759 17.295 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.126 18.295 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.489 16.867 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.826 17.294 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.618 15.610 -5.185 1.00 0.00 H new ATOM 1662 N GLU A 134 9.063 14.228 -2.258 1.00 0.00 N ATOM 1663 CA GLU A 134 10.270 14.119 -1.459 1.00 0.00 C ATOM 1664 C GLU A 134 11.167 15.322 -1.713 1.00 0.00 C ATOM 1665 O GLU A 134 11.719 15.428 -2.831 1.00 0.00 O ATOM 1666 CB GLU A 134 11.009 12.815 -1.782 1.00 0.00 C ATOM 1667 CG GLU A 134 12.284 12.615 -0.980 1.00 0.00 C ATOM 1668 CD GLU A 134 12.943 11.282 -1.260 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.663 11.167 -2.273 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.750 10.342 -0.462 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.311 16.163 -0.799 1.00 0.00 O ATOM 0 H GLU A 134 9.227 14.260 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 134 9.997 14.102 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.340 11.974 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.254 12.801 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.984 13.418 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.055 12.687 0.083 1.00 0.00 H new TER 1678 GLU A 134