USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 759 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 79 THR OG1 : rot 170:sc= 0.157 USER MOD Set 1.2: A 82 GLN : amide:sc= -0.626 K(o=-0.47,f=-1.8) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -2.83! X(o=-3.5!,f=-3.3) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -122:sc= -0.619 (180deg=-3.67!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00246 USER MOD Single : A 3 SER OG : rot -23:sc= 0.652 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.929 X(o=-0.93,f=-1) USER MOD Single : A 35 ASN : amide:sc= -0.547 K(o=-0.55,f=-6.2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 143:sc= 0.757 (180deg=0.0783) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -6.28! C(o=-6.3!,f=-6.2!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 158:sc= -1.57 (180deg=-4.42!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= -1.99 (180deg=-5.13!) USER MOD Single : A 90 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.7!) USER MOD Single : A 98 GLN : amide:sc= -4.21! C(o=-4.2!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.459 11.912 1.887 1.00 0.00 N ATOM 2 CA GLY A 1 17.606 11.115 1.024 1.00 0.00 C ATOM 3 C GLY A 1 17.284 9.759 1.619 1.00 0.00 C ATOM 4 O GLY A 1 18.128 8.863 1.633 1.00 0.00 O ATOM 0 H1 GLY A 1 18.650 12.829 1.435 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.983 12.067 2.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.356 11.411 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.678 11.655 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.096 10.978 0.060 1.00 0.00 H new ATOM 8 N SER A 2 16.060 9.608 2.114 1.00 0.00 N ATOM 9 CA SER A 2 15.629 8.353 2.719 1.00 0.00 C ATOM 10 C SER A 2 16.137 7.160 1.915 1.00 0.00 C ATOM 11 O SER A 2 16.668 6.200 2.474 1.00 0.00 O ATOM 12 CB SER A 2 14.103 8.305 2.816 1.00 0.00 C ATOM 13 OG SER A 2 13.506 8.510 1.547 1.00 0.00 O ATOM 0 H SER A 2 15.349 10.339 2.108 1.00 0.00 H new ATOM 0 HA SER A 2 16.051 8.299 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.791 7.341 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.755 9.068 3.513 1.00 0.00 H new ATOM 0 HG SER A 2 12.531 8.473 1.635 1.00 0.00 H new ATOM 19 N SER A 3 15.969 7.228 0.598 1.00 0.00 N ATOM 20 CA SER A 3 16.406 6.153 -0.285 1.00 0.00 C ATOM 21 C SER A 3 16.060 4.790 0.307 1.00 0.00 C ATOM 22 O SER A 3 16.860 3.857 0.255 1.00 0.00 O ATOM 23 CB SER A 3 17.913 6.247 -0.531 1.00 0.00 C ATOM 24 OG SER A 3 18.643 5.787 0.593 1.00 0.00 O ATOM 0 H SER A 3 15.533 8.016 0.119 1.00 0.00 H new ATOM 0 HA SER A 3 15.883 6.261 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.179 5.657 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.186 7.280 -0.748 1.00 0.00 H new ATOM 0 HG SER A 3 18.086 5.859 1.396 1.00 0.00 H new ATOM 30 N GLY A 4 14.860 4.683 0.870 1.00 0.00 N ATOM 31 CA GLY A 4 14.428 3.431 1.464 1.00 0.00 C ATOM 32 C GLY A 4 13.089 2.967 0.926 1.00 0.00 C ATOM 33 O GLY A 4 12.047 3.522 1.273 1.00 0.00 O ATOM 0 H GLY A 4 14.180 5.441 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.178 2.664 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.361 3.549 2.545 1.00 0.00 H new ATOM 37 N SER A 5 13.116 1.946 0.075 1.00 0.00 N ATOM 38 CA SER A 5 11.896 1.410 -0.515 1.00 0.00 C ATOM 39 C SER A 5 11.909 -0.116 -0.501 1.00 0.00 C ATOM 40 O SER A 5 12.955 -0.740 -0.678 1.00 0.00 O ATOM 41 CB SER A 5 11.733 1.917 -1.950 1.00 0.00 C ATOM 42 OG SER A 5 11.047 3.156 -1.978 1.00 0.00 O ATOM 0 H SER A 5 13.970 1.474 -0.221 1.00 0.00 H new ATOM 0 HA SER A 5 11.052 1.754 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.713 2.030 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.186 1.181 -2.539 1.00 0.00 H new ATOM 0 HG SER A 5 10.957 3.459 -2.906 1.00 0.00 H new ATOM 48 N SER A 6 10.739 -0.710 -0.289 1.00 0.00 N ATOM 49 CA SER A 6 10.616 -2.162 -0.247 1.00 0.00 C ATOM 50 C SER A 6 9.243 -2.605 -0.743 1.00 0.00 C ATOM 51 O SER A 6 8.331 -1.792 -0.888 1.00 0.00 O ATOM 52 CB SER A 6 10.847 -2.674 1.176 1.00 0.00 C ATOM 53 OG SER A 6 10.098 -1.923 2.116 1.00 0.00 O ATOM 0 H SER A 6 9.863 -0.208 -0.144 1.00 0.00 H new ATOM 0 HA SER A 6 11.375 -2.586 -0.905 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.565 -3.725 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.908 -2.614 1.420 1.00 0.00 H new ATOM 0 HG SER A 6 10.262 -2.271 3.017 1.00 0.00 H new ATOM 59 N GLY A 7 9.103 -3.902 -1.001 1.00 0.00 N ATOM 60 CA GLY A 7 7.839 -4.432 -1.477 1.00 0.00 C ATOM 61 C GLY A 7 7.680 -5.909 -1.179 1.00 0.00 C ATOM 62 O GLY A 7 8.245 -6.753 -1.874 1.00 0.00 O ATOM 0 H GLY A 7 9.843 -4.595 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.020 -3.881 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.763 -4.271 -2.552 1.00 0.00 H new ATOM 66 N GLU A 8 6.911 -6.222 -0.141 1.00 0.00 N ATOM 67 CA GLU A 8 6.682 -7.609 0.249 1.00 0.00 C ATOM 68 C GLU A 8 5.193 -7.880 0.446 1.00 0.00 C ATOM 69 O GLU A 8 4.451 -7.021 0.922 1.00 0.00 O ATOM 70 CB GLU A 8 7.445 -7.933 1.535 1.00 0.00 C ATOM 71 CG GLU A 8 8.955 -7.930 1.364 1.00 0.00 C ATOM 72 CD GLU A 8 9.660 -8.801 2.386 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.082 -9.033 3.468 1.00 0.00 O ATOM 74 OE2 GLU A 8 10.790 -9.251 2.102 1.00 0.00 O ATOM 0 H GLU A 8 6.436 -5.535 0.445 1.00 0.00 H new ATOM 0 HA GLU A 8 7.047 -8.250 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.173 -7.207 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.131 -8.912 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.204 -8.279 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.324 -6.908 1.447 1.00 0.00 H new ATOM 81 N LYS A 9 4.763 -9.082 0.076 1.00 0.00 N ATOM 82 CA LYS A 9 3.364 -9.469 0.212 1.00 0.00 C ATOM 83 C LYS A 9 3.112 -10.134 1.562 1.00 0.00 C ATOM 84 O LYS A 9 3.690 -11.176 1.868 1.00 0.00 O ATOM 85 CB LYS A 9 2.964 -10.419 -0.919 1.00 0.00 C ATOM 86 CG LYS A 9 4.096 -11.319 -1.386 1.00 0.00 C ATOM 87 CD LYS A 9 4.960 -10.632 -2.430 1.00 0.00 C ATOM 88 CE LYS A 9 4.435 -10.877 -3.836 1.00 0.00 C ATOM 89 NZ LYS A 9 5.466 -10.586 -4.871 1.00 0.00 N ATOM 0 H LYS A 9 5.364 -9.805 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 9 2.756 -8.566 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.132 -11.039 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.604 -9.833 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.712 -11.603 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.683 -12.238 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.988 -9.560 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.984 -10.997 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.111 -11.914 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.559 -10.253 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.070 -10.765 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.757 -9.590 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.292 -11.199 -4.720 1.00 0.00 H new ATOM 103 N ALA A 10 2.245 -9.525 2.364 1.00 0.00 N ATOM 104 CA ALA A 10 1.914 -10.060 3.678 1.00 0.00 C ATOM 105 C ALA A 10 0.575 -9.521 4.170 1.00 0.00 C ATOM 106 O ALA A 10 0.138 -8.449 3.753 1.00 0.00 O ATOM 107 CB ALA A 10 3.016 -9.731 4.675 1.00 0.00 C ATOM 0 H ALA A 10 1.759 -8.660 2.126 1.00 0.00 H new ATOM 0 HA ALA A 10 1.829 -11.143 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.755 -10.137 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.955 -10.171 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.128 -8.649 4.749 1.00 0.00 H new ATOM 113 N GLU A 11 -0.070 -10.271 5.057 1.00 0.00 N ATOM 114 CA GLU A 11 -1.361 -9.868 5.603 1.00 0.00 C ATOM 115 C GLU A 11 -1.190 -9.198 6.964 1.00 0.00 C ATOM 116 O GLU A 11 -1.163 -9.866 7.998 1.00 0.00 O ATOM 117 CB GLU A 11 -2.287 -11.079 5.732 1.00 0.00 C ATOM 118 CG GLU A 11 -2.532 -11.799 4.416 1.00 0.00 C ATOM 119 CD GLU A 11 -3.842 -12.564 4.405 1.00 0.00 C ATOM 120 OE1 GLU A 11 -4.905 -11.919 4.520 1.00 0.00 O ATOM 121 OE2 GLU A 11 -3.803 -13.806 4.283 1.00 0.00 O ATOM 0 H GLU A 11 0.280 -11.161 5.413 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.809 -9.150 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.856 -11.781 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.243 -10.753 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.533 -11.073 3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.711 -12.490 4.225 1.00 0.00 H new ATOM 128 N ASP A 12 -1.074 -7.875 6.955 1.00 0.00 N ATOM 129 CA ASP A 12 -0.907 -7.113 8.187 1.00 0.00 C ATOM 130 C ASP A 12 -1.166 -5.629 7.949 1.00 0.00 C ATOM 131 O ASP A 12 -0.449 -4.978 7.188 1.00 0.00 O ATOM 132 CB ASP A 12 0.502 -7.314 8.748 1.00 0.00 C ATOM 133 CG ASP A 12 1.520 -6.399 8.098 1.00 0.00 C ATOM 134 OD1 ASP A 12 1.634 -6.427 6.855 1.00 0.00 O ATOM 135 OD2 ASP A 12 2.204 -5.655 8.832 1.00 0.00 O ATOM 0 H ASP A 12 -1.093 -7.307 6.108 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.635 -7.478 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.491 -7.135 9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.804 -8.351 8.601 1.00 0.00 H new ATOM 140 N CYS A 13 -2.194 -5.101 8.603 1.00 0.00 N ATOM 141 CA CYS A 13 -2.550 -3.693 8.460 1.00 0.00 C ATOM 142 C CYS A 13 -1.318 -2.805 8.604 1.00 0.00 C ATOM 143 O CYS A 13 -0.440 -3.072 9.424 1.00 0.00 O ATOM 144 CB CYS A 13 -3.600 -3.303 9.501 1.00 0.00 C ATOM 145 SG CYS A 13 -5.306 -3.540 8.953 1.00 0.00 S ATOM 0 H CYS A 13 -2.796 -5.626 9.237 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.967 -3.547 7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.435 -3.889 10.405 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.458 -2.256 9.770 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.120 -3.185 9.902 1.00 0.00 H new ATOM 151 N TRP A 14 -1.261 -1.749 7.800 1.00 0.00 N ATOM 152 CA TRP A 14 -0.135 -0.822 7.837 1.00 0.00 C ATOM 153 C TRP A 14 -0.310 0.202 8.953 1.00 0.00 C ATOM 154 O TRP A 14 0.650 0.556 9.637 1.00 0.00 O ATOM 155 CB TRP A 14 0.008 -0.108 6.491 1.00 0.00 C ATOM 156 CG TRP A 14 -1.247 0.581 6.048 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.194 0.090 5.195 1.00 0.00 C ATOM 158 CD2 TRP A 14 -1.690 1.887 6.434 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.199 1.012 5.028 1.00 0.00 N ATOM 160 CE2 TRP A 14 -2.914 2.122 5.778 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.174 2.878 7.272 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.626 3.309 5.934 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -1.881 4.056 7.426 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.096 4.263 6.760 1.00 0.00 C ATOM 0 H TRP A 14 -1.980 -1.513 7.116 1.00 0.00 H new ATOM 0 HA TRP A 14 0.770 -1.396 8.034 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.811 0.625 6.560 1.00 0.00 H new ATOM 0 HB3 TRP A 14 0.303 -0.833 5.733 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.158 -0.880 4.722 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.024 0.890 4.441 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.239 2.727 7.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.563 3.471 5.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.490 4.830 8.070 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.625 5.194 6.901 1.00 0.00 H new ATOM 175 N GLU A 15 -1.540 0.673 9.132 1.00 0.00 N ATOM 176 CA GLU A 15 -1.838 1.657 10.166 1.00 0.00 C ATOM 177 C GLU A 15 -1.327 1.188 11.526 1.00 0.00 C ATOM 178 O GLU A 15 -0.927 1.998 12.363 1.00 0.00 O ATOM 179 CB GLU A 15 -3.344 1.916 10.236 1.00 0.00 C ATOM 180 CG GLU A 15 -4.146 0.716 10.712 1.00 0.00 C ATOM 181 CD GLU A 15 -5.546 0.683 10.130 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.463 1.257 10.754 1.00 0.00 O ATOM 183 OE2 GLU A 15 -5.725 0.081 9.050 1.00 0.00 O ATOM 0 H GLU A 15 -2.346 0.389 8.575 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.329 2.585 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.529 2.755 10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.700 2.212 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.621 -0.199 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.209 0.734 11.800 1.00 0.00 H new ATOM 190 N LEU A 16 -1.345 -0.123 11.738 1.00 0.00 N ATOM 191 CA LEU A 16 -0.885 -0.701 12.996 1.00 0.00 C ATOM 192 C LEU A 16 0.567 -0.322 13.270 1.00 0.00 C ATOM 193 O LEU A 16 0.982 -0.215 14.424 1.00 0.00 O ATOM 194 CB LEU A 16 -1.029 -2.223 12.963 1.00 0.00 C ATOM 195 CG LEU A 16 -2.459 -2.763 13.020 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.477 -4.257 12.736 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.087 -2.469 14.375 1.00 0.00 C ATOM 0 H LEU A 16 -1.673 -0.806 11.055 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.504 -0.301 13.799 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.558 -2.593 12.052 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.471 -2.639 13.802 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.047 -2.260 12.252 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.503 -4.624 12.781 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.068 -4.444 11.743 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.873 -4.776 13.480 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.104 -2.860 14.397 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.498 -2.944 15.160 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.109 -1.392 14.540 1.00 0.00 H new ATOM 209 N GLN A 17 1.331 -0.117 12.202 1.00 0.00 N ATOM 210 CA GLN A 17 2.736 0.252 12.329 1.00 0.00 C ATOM 211 C GLN A 17 2.892 1.762 12.474 1.00 0.00 C ATOM 212 O GLN A 17 3.716 2.239 13.254 1.00 0.00 O ATOM 213 CB GLN A 17 3.526 -0.240 11.115 1.00 0.00 C ATOM 214 CG GLN A 17 3.645 -1.754 11.039 1.00 0.00 C ATOM 215 CD GLN A 17 4.842 -2.284 11.803 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.695 -3.032 12.770 1.00 0.00 O ATOM 217 NE2 GLN A 17 6.038 -1.899 11.371 1.00 0.00 N ATOM 0 H GLN A 17 1.001 -0.200 11.240 1.00 0.00 H new ATOM 0 HA GLN A 17 3.130 -0.223 13.227 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.045 0.124 10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.526 0.194 11.142 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.736 -2.206 11.436 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.722 -2.057 9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.114 -1.278 10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.881 -2.224 11.845 1.00 0.00 H new ATOM 226 N ILE A 18 2.095 2.509 11.717 1.00 0.00 N ATOM 227 CA ILE A 18 2.144 3.965 11.762 1.00 0.00 C ATOM 228 C ILE A 18 1.498 4.498 13.037 1.00 0.00 C ATOM 229 O ILE A 18 0.417 4.057 13.428 1.00 0.00 O ATOM 230 CB ILE A 18 1.440 4.590 10.544 1.00 0.00 C ATOM 231 CG1 ILE A 18 2.052 5.954 10.217 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.053 4.722 10.804 1.00 0.00 C ATOM 233 CD1 ILE A 18 1.420 6.629 9.020 1.00 0.00 C ATOM 0 H ILE A 18 1.408 2.130 11.065 1.00 0.00 H new ATOM 0 HA ILE A 18 3.197 4.246 11.746 1.00 0.00 H new ATOM 0 HB ILE A 18 1.583 3.934 9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.953 6.605 11.085 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.119 5.829 10.032 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.536 5.166 9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.478 3.736 10.992 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.216 5.359 11.673 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.903 7.591 8.847 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.542 5.998 8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.358 6.786 9.209 1.00 0.00 H new ATOM 245 N SER A 19 2.167 5.449 13.680 1.00 0.00 N ATOM 246 CA SER A 19 1.659 6.041 14.912 1.00 0.00 C ATOM 247 C SER A 19 0.178 6.383 14.781 1.00 0.00 C ATOM 248 O SER A 19 -0.366 6.486 13.681 1.00 0.00 O ATOM 249 CB SER A 19 2.455 7.300 15.264 1.00 0.00 C ATOM 250 OG SER A 19 3.569 6.987 16.082 1.00 0.00 O ATOM 0 H SER A 19 3.062 5.826 13.369 1.00 0.00 H new ATOM 0 HA SER A 19 1.776 5.310 15.712 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.796 7.786 14.350 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.809 8.010 15.780 1.00 0.00 H new ATOM 0 HG SER A 19 4.062 7.808 16.291 1.00 0.00 H new ATOM 256 N PRO A 20 -0.491 6.562 15.929 1.00 0.00 N ATOM 257 CA PRO A 20 -1.918 6.895 15.970 1.00 0.00 C ATOM 258 C PRO A 20 -2.198 8.309 15.472 1.00 0.00 C ATOM 259 O PRO A 20 -3.245 8.572 14.883 1.00 0.00 O ATOM 260 CB PRO A 20 -2.268 6.772 17.455 1.00 0.00 C ATOM 261 CG PRO A 20 -0.982 7.008 18.169 1.00 0.00 C ATOM 262 CD PRO A 20 0.094 6.454 17.276 1.00 0.00 C ATOM 0 HA PRO A 20 -2.507 6.244 15.324 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.022 7.503 17.746 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.674 5.787 17.686 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.827 8.071 18.354 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.978 6.512 19.140 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.019 7.025 17.359 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.333 5.421 17.528 1.00 0.00 H new ATOM 270 N GLU A 21 -1.254 9.214 15.713 1.00 0.00 N ATOM 271 CA GLU A 21 -1.401 10.601 15.288 1.00 0.00 C ATOM 272 C GLU A 21 -1.069 10.755 13.807 1.00 0.00 C ATOM 273 O GLU A 21 -1.586 11.646 13.132 1.00 0.00 O ATOM 274 CB GLU A 21 -0.498 11.512 16.122 1.00 0.00 C ATOM 275 CG GLU A 21 0.984 11.317 15.846 1.00 0.00 C ATOM 276 CD GLU A 21 1.864 12.011 16.868 1.00 0.00 C ATOM 277 OE1 GLU A 21 2.058 13.239 16.749 1.00 0.00 O ATOM 278 OE2 GLU A 21 2.358 11.325 17.787 1.00 0.00 O ATOM 0 H GLU A 21 -0.381 9.012 16.200 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.440 10.892 15.441 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.762 12.551 15.925 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.689 11.330 17.180 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.212 10.251 15.840 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.218 11.698 14.852 1.00 0.00 H new ATOM 285 N LEU A 22 -0.202 9.881 13.308 1.00 0.00 N ATOM 286 CA LEU A 22 0.201 9.919 11.906 1.00 0.00 C ATOM 287 C LEU A 22 -0.951 9.504 10.997 1.00 0.00 C ATOM 288 O LEU A 22 -1.095 10.017 9.886 1.00 0.00 O ATOM 289 CB LEU A 22 1.403 9.001 11.676 1.00 0.00 C ATOM 290 CG LEU A 22 2.780 9.637 11.869 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.115 10.550 10.700 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.834 10.405 13.182 1.00 0.00 C ATOM 0 H LEU A 22 0.235 9.138 13.853 1.00 0.00 H new ATOM 0 HA LEU A 22 0.481 10.944 11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.320 8.150 12.352 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.346 8.608 10.661 1.00 0.00 H new ATOM 0 HG LEU A 22 3.524 8.842 11.906 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.099 10.994 10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.119 9.972 9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.368 11.340 10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.821 10.851 13.302 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.079 11.191 13.175 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.640 9.724 14.010 1.00 0.00 H new ATOM 304 N LEU A 23 -1.771 8.575 11.475 1.00 0.00 N ATOM 305 CA LEU A 23 -2.913 8.093 10.707 1.00 0.00 C ATOM 306 C LEU A 23 -3.934 9.206 10.492 1.00 0.00 C ATOM 307 O LEU A 23 -4.257 9.554 9.357 1.00 0.00 O ATOM 308 CB LEU A 23 -3.572 6.912 11.421 1.00 0.00 C ATOM 309 CG LEU A 23 -4.920 6.457 10.862 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.727 5.677 9.571 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.666 5.616 11.888 1.00 0.00 C ATOM 0 H LEU A 23 -1.666 8.140 12.392 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.551 7.764 9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.885 6.066 11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.707 7.177 12.470 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.518 7.342 10.642 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.697 5.361 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.234 6.310 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.111 4.799 9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.623 5.301 11.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.072 4.737 12.139 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.837 6.207 12.788 1.00 0.00 H new ATOM 323 N ALA A 24 -4.436 9.761 11.590 1.00 0.00 N ATOM 324 CA ALA A 24 -5.416 10.837 11.523 1.00 0.00 C ATOM 325 C ALA A 24 -4.864 12.035 10.758 1.00 0.00 C ATOM 326 O ALA A 24 -5.519 12.567 9.860 1.00 0.00 O ATOM 327 CB ALA A 24 -5.842 11.253 12.923 1.00 0.00 C ATOM 0 H ALA A 24 -4.180 9.483 12.537 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.289 10.466 10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.574 12.058 12.856 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.286 10.400 13.437 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.972 11.600 13.480 1.00 0.00 H new ATOM 333 N HIS A 25 -3.657 12.457 11.120 1.00 0.00 N ATOM 334 CA HIS A 25 -3.017 13.594 10.467 1.00 0.00 C ATOM 335 C HIS A 25 -2.936 13.379 8.959 1.00 0.00 C ATOM 336 O HIS A 25 -3.300 14.256 8.177 1.00 0.00 O ATOM 337 CB HIS A 25 -1.616 13.814 11.038 1.00 0.00 C ATOM 338 CG HIS A 25 -0.973 15.085 10.574 1.00 0.00 C ATOM 339 ND1 HIS A 25 -1.692 16.200 10.202 1.00 0.00 N ATOM 340 CD2 HIS A 25 0.332 15.413 10.423 1.00 0.00 C ATOM 341 CE1 HIS A 25 -0.858 17.159 9.841 1.00 0.00 C ATOM 342 NE2 HIS A 25 0.376 16.707 9.967 1.00 0.00 N ATOM 0 H HIS A 25 -3.102 12.029 11.861 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.623 14.480 10.658 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.673 13.822 12.126 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.982 12.973 10.758 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.180 14.775 10.624 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.138 18.145 9.501 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.224 17.234 9.759 1.00 0.00 H new ATOM 351 N GLY A 26 -2.455 12.206 8.557 1.00 0.00 N ATOM 352 CA GLY A 26 -2.334 11.899 7.144 1.00 0.00 C ATOM 353 C GLY A 26 -3.657 12.008 6.412 1.00 0.00 C ATOM 354 O GLY A 26 -3.775 12.751 5.438 1.00 0.00 O ATOM 0 H GLY A 26 -2.147 11.463 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.613 12.578 6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.940 10.890 7.027 1.00 0.00 H new ATOM 358 N ARG A 27 -4.653 11.264 6.880 1.00 0.00 N ATOM 359 CA ARG A 27 -5.973 11.278 6.261 1.00 0.00 C ATOM 360 C ARG A 27 -6.410 12.705 5.946 1.00 0.00 C ATOM 361 O ARG A 27 -6.682 13.041 4.793 1.00 0.00 O ATOM 362 CB ARG A 27 -6.998 10.610 7.180 1.00 0.00 C ATOM 363 CG ARG A 27 -6.948 9.092 7.146 1.00 0.00 C ATOM 364 CD ARG A 27 -7.795 8.482 8.252 1.00 0.00 C ATOM 365 NE ARG A 27 -9.205 8.398 7.879 1.00 0.00 N ATOM 366 CZ ARG A 27 -10.164 8.014 8.714 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.867 7.682 9.962 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.424 7.964 8.300 1.00 0.00 N ATOM 0 H ARG A 27 -4.571 10.644 7.686 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.915 10.719 5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.831 10.948 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.997 10.939 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.301 8.737 6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.916 8.758 7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.422 7.485 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.695 9.081 9.157 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.467 8.648 6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.900 7.721 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.606 7.388 10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.656 8.220 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.160 7.669 8.941 1.00 0.00 H new ATOM 382 N GLN A 28 -6.476 13.540 6.978 1.00 0.00 N ATOM 383 CA GLN A 28 -6.882 14.931 6.810 1.00 0.00 C ATOM 384 C GLN A 28 -6.020 15.627 5.762 1.00 0.00 C ATOM 385 O GLN A 28 -6.534 16.280 4.854 1.00 0.00 O ATOM 386 CB GLN A 28 -6.787 15.676 8.143 1.00 0.00 C ATOM 387 CG GLN A 28 -7.595 16.963 8.179 1.00 0.00 C ATOM 388 CD GLN A 28 -9.075 16.728 7.950 1.00 0.00 C ATOM 389 OE1 GLN A 28 -9.606 15.666 8.277 1.00 0.00 O ATOM 390 NE2 GLN A 28 -9.752 17.721 7.384 1.00 0.00 N ATOM 0 H GLN A 28 -6.254 13.278 7.938 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.917 14.943 6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.130 15.019 8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.742 15.907 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.453 17.450 9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.217 17.646 7.418 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.273 18.584 7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.751 17.620 7.205 1.00 0.00 H new ATOM 399 N LYS A 29 -4.706 15.483 5.894 1.00 0.00 N ATOM 400 CA LYS A 29 -3.771 16.097 4.959 1.00 0.00 C ATOM 401 C LYS A 29 -4.113 15.720 3.521 1.00 0.00 C ATOM 402 O LYS A 29 -3.971 16.531 2.606 1.00 0.00 O ATOM 403 CB LYS A 29 -2.338 15.667 5.282 1.00 0.00 C ATOM 404 CG LYS A 29 -1.737 16.398 6.470 1.00 0.00 C ATOM 405 CD LYS A 29 -0.227 16.239 6.518 1.00 0.00 C ATOM 406 CE LYS A 29 0.175 14.943 7.206 1.00 0.00 C ATOM 407 NZ LYS A 29 1.654 14.811 7.320 1.00 0.00 N ATOM 0 H LYS A 29 -4.264 14.946 6.640 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.852 17.179 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.325 14.595 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.711 15.836 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.990 17.457 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.173 16.015 7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.174 16.254 5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.212 17.085 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.271 14.906 8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.223 14.096 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.962 13.938 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.111 15.629 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.923 14.774 8.324 1.00 0.00 H new ATOM 421 N ILE A 30 -4.566 14.485 3.330 1.00 0.00 N ATOM 422 CA ILE A 30 -4.931 14.002 2.004 1.00 0.00 C ATOM 423 C ILE A 30 -6.295 14.536 1.581 1.00 0.00 C ATOM 424 O ILE A 30 -6.569 14.700 0.391 1.00 0.00 O ATOM 425 CB ILE A 30 -4.955 12.463 1.952 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.529 11.909 1.946 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.720 11.987 0.725 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.467 10.402 2.067 1.00 0.00 C ATOM 0 H ILE A 30 -4.689 13.801 4.077 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.171 14.368 1.314 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.465 12.091 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.034 12.212 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.971 12.355 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.729 10.897 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.744 12.357 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.236 12.365 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.426 10.079 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.933 10.093 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.997 9.948 1.230 1.00 0.00 H new ATOM 440 N LEU A 31 -7.148 14.807 2.562 1.00 0.00 N ATOM 441 CA LEU A 31 -8.485 15.325 2.293 1.00 0.00 C ATOM 442 C LEU A 31 -8.418 16.743 1.735 1.00 0.00 C ATOM 443 O LEU A 31 -8.918 17.016 0.643 1.00 0.00 O ATOM 444 CB LEU A 31 -9.327 15.307 3.570 1.00 0.00 C ATOM 445 CG LEU A 31 -10.764 15.813 3.434 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.613 14.808 2.671 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.364 16.090 4.804 1.00 0.00 C ATOM 0 H LEU A 31 -6.938 14.677 3.552 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.953 14.683 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.357 14.285 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.821 15.910 4.324 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.749 16.746 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.632 15.185 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.195 14.660 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.622 13.858 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.387 16.449 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.366 15.172 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.770 16.847 5.315 1.00 0.00 H new ATOM 459 N ASP A 32 -7.794 17.641 2.489 1.00 0.00 N ATOM 460 CA ASP A 32 -7.658 19.031 2.069 1.00 0.00 C ATOM 461 C ASP A 32 -7.235 19.117 0.606 1.00 0.00 C ATOM 462 O ASP A 32 -7.648 20.024 -0.119 1.00 0.00 O ATOM 463 CB ASP A 32 -6.639 19.755 2.950 1.00 0.00 C ATOM 464 CG ASP A 32 -6.705 21.262 2.793 1.00 0.00 C ATOM 465 OD1 ASP A 32 -6.230 21.772 1.757 1.00 0.00 O ATOM 466 OD2 ASP A 32 -7.234 21.930 3.706 1.00 0.00 O ATOM 0 H ASP A 32 -7.374 17.431 3.395 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.629 19.514 2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.814 19.493 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.636 19.410 2.699 1.00 0.00 H new ATOM 471 N LEU A 33 -6.410 18.168 0.177 1.00 0.00 N ATOM 472 CA LEU A 33 -5.930 18.137 -1.200 1.00 0.00 C ATOM 473 C LEU A 33 -7.035 17.691 -2.152 1.00 0.00 C ATOM 474 O LEU A 33 -7.141 18.187 -3.274 1.00 0.00 O ATOM 475 CB LEU A 33 -4.728 17.199 -1.321 1.00 0.00 C ATOM 476 CG LEU A 33 -4.168 17.003 -2.730 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.562 18.297 -3.249 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.135 15.885 -2.743 1.00 0.00 C ATOM 0 H LEU A 33 -6.060 17.410 0.763 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.624 19.147 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.930 17.580 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.013 16.224 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.988 16.720 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.169 18.138 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.328 19.072 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.754 18.611 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.747 15.760 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.316 16.138 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.601 14.956 -2.415 1.00 0.00 H new ATOM 490 N LEU A 34 -7.858 16.753 -1.696 1.00 0.00 N ATOM 491 CA LEU A 34 -8.958 16.241 -2.506 1.00 0.00 C ATOM 492 C LEU A 34 -10.009 17.321 -2.743 1.00 0.00 C ATOM 493 O LEU A 34 -10.702 17.314 -3.759 1.00 0.00 O ATOM 494 CB LEU A 34 -9.599 15.031 -1.825 1.00 0.00 C ATOM 495 CG LEU A 34 -8.748 13.762 -1.771 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.280 12.807 -0.714 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.712 13.085 -3.134 1.00 0.00 C ATOM 0 H LEU A 34 -7.784 16.332 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.554 15.935 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.863 15.311 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.530 14.799 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.730 14.042 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.662 11.910 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.253 13.292 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.307 12.533 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.102 12.184 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.725 12.819 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.283 13.767 -3.868 1.00 0.00 H new ATOM 509 N ASN A 35 -10.119 18.249 -1.798 1.00 0.00 N ATOM 510 CA ASN A 35 -11.084 19.338 -1.905 1.00 0.00 C ATOM 511 C ASN A 35 -10.459 20.555 -2.579 1.00 0.00 C ATOM 512 O ASN A 35 -10.977 21.059 -3.575 1.00 0.00 O ATOM 513 CB ASN A 35 -11.608 19.721 -0.519 1.00 0.00 C ATOM 514 CG ASN A 35 -12.838 18.927 -0.126 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.704 18.650 -0.957 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.922 18.557 1.147 1.00 0.00 N ATOM 0 H ASN A 35 -9.552 18.269 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.916 18.993 -2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.823 19.560 0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.846 20.785 -0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.728 18.021 1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.181 18.808 1.801 1.00 0.00 H new ATOM 523 N GLU A 36 -9.342 21.021 -2.029 1.00 0.00 N ATOM 524 CA GLU A 36 -8.647 22.179 -2.578 1.00 0.00 C ATOM 525 C GLU A 36 -7.860 21.799 -3.828 1.00 0.00 C ATOM 526 O GLU A 36 -7.831 22.544 -4.807 1.00 0.00 O ATOM 527 CB GLU A 36 -7.705 22.779 -1.532 1.00 0.00 C ATOM 528 CG GLU A 36 -8.402 23.180 -0.243 1.00 0.00 C ATOM 529 CD GLU A 36 -7.608 24.191 0.560 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.947 25.052 -0.058 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.646 24.123 1.807 1.00 0.00 O ATOM 0 H GLU A 36 -8.900 20.615 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.395 22.923 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.923 22.055 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.214 23.654 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.381 23.597 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.572 22.292 0.365 1.00 0.00 H new ATOM 538 N GLY A 37 -7.222 20.633 -3.788 1.00 0.00 N ATOM 539 CA GLY A 37 -6.443 20.174 -4.923 1.00 0.00 C ATOM 540 C GLY A 37 -7.311 19.647 -6.047 1.00 0.00 C ATOM 541 O GLY A 37 -8.324 18.991 -5.804 1.00 0.00 O ATOM 0 H GLY A 37 -7.231 19.998 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.831 20.995 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.760 19.390 -4.597 1.00 0.00 H new ATOM 545 N SER A 38 -6.917 19.937 -7.283 1.00 0.00 N ATOM 546 CA SER A 38 -7.670 19.492 -8.450 1.00 0.00 C ATOM 547 C SER A 38 -7.081 18.205 -9.019 1.00 0.00 C ATOM 548 O SER A 38 -6.080 17.693 -8.518 1.00 0.00 O ATOM 549 CB SER A 38 -7.678 20.582 -9.524 1.00 0.00 C ATOM 550 OG SER A 38 -8.244 21.782 -9.028 1.00 0.00 O ATOM 0 H SER A 38 -6.081 20.478 -7.502 1.00 0.00 H new ATOM 0 HA SER A 38 -8.695 19.294 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.659 20.770 -9.864 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.245 20.240 -10.390 1.00 0.00 H new ATOM 0 HG SER A 38 -8.236 22.463 -9.733 1.00 0.00 H new ATOM 556 N ALA A 39 -7.709 17.688 -10.070 1.00 0.00 N ATOM 557 CA ALA A 39 -7.247 16.463 -10.710 1.00 0.00 C ATOM 558 C ALA A 39 -5.734 16.479 -10.899 1.00 0.00 C ATOM 559 O ALA A 39 -5.008 15.731 -10.244 1.00 0.00 O ATOM 560 CB ALA A 39 -7.946 16.269 -12.047 1.00 0.00 C ATOM 0 H ALA A 39 -8.540 18.099 -10.496 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.496 15.626 -10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.591 15.350 -12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.022 16.203 -11.889 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.726 17.115 -12.698 1.00 0.00 H new ATOM 566 N ARG A 40 -5.264 17.337 -11.799 1.00 0.00 N ATOM 567 CA ARG A 40 -3.837 17.449 -12.076 1.00 0.00 C ATOM 568 C ARG A 40 -3.025 17.360 -10.788 1.00 0.00 C ATOM 569 O ARG A 40 -2.066 16.593 -10.699 1.00 0.00 O ATOM 570 CB ARG A 40 -3.537 18.768 -12.791 1.00 0.00 C ATOM 571 CG ARG A 40 -3.999 18.796 -14.238 1.00 0.00 C ATOM 572 CD ARG A 40 -3.060 18.008 -15.138 1.00 0.00 C ATOM 573 NE ARG A 40 -3.566 17.911 -16.505 1.00 0.00 N ATOM 574 CZ ARG A 40 -3.020 17.137 -17.437 1.00 0.00 C ATOM 575 NH1 ARG A 40 -1.958 16.397 -17.151 1.00 0.00 N ATOM 576 NH2 ARG A 40 -3.537 17.103 -18.659 1.00 0.00 N ATOM 0 H ARG A 40 -5.851 17.965 -12.349 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.551 16.620 -12.723 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.018 19.582 -12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.463 18.953 -12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.005 18.382 -14.308 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.055 19.828 -14.583 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.080 18.486 -15.147 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.922 17.007 -14.730 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.383 18.468 -16.758 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.558 16.421 -16.213 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.541 15.804 -17.869 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.354 17.671 -18.883 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.117 16.509 -19.374 1.00 0.00 H new ATOM 590 N ASP A 41 -3.415 18.148 -9.792 1.00 0.00 N ATOM 591 CA ASP A 41 -2.724 18.158 -8.509 1.00 0.00 C ATOM 592 C ASP A 41 -2.712 16.765 -7.887 1.00 0.00 C ATOM 593 O ASP A 41 -1.711 16.340 -7.309 1.00 0.00 O ATOM 594 CB ASP A 41 -3.390 19.151 -7.554 1.00 0.00 C ATOM 595 CG ASP A 41 -2.917 20.574 -7.777 1.00 0.00 C ATOM 596 OD1 ASP A 41 -1.716 20.841 -7.564 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.749 21.422 -8.164 1.00 0.00 O ATOM 0 H ASP A 41 -4.207 18.788 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.693 18.468 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.471 19.106 -7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.180 18.858 -6.525 1.00 0.00 H new ATOM 602 N LEU A 42 -3.831 16.060 -8.008 1.00 0.00 N ATOM 603 CA LEU A 42 -3.951 14.715 -7.457 1.00 0.00 C ATOM 604 C LEU A 42 -3.081 13.729 -8.232 1.00 0.00 C ATOM 605 O LEU A 42 -2.387 12.902 -7.641 1.00 0.00 O ATOM 606 CB LEU A 42 -5.411 14.258 -7.488 1.00 0.00 C ATOM 607 CG LEU A 42 -6.398 15.111 -6.691 1.00 0.00 C ATOM 608 CD1 LEU A 42 -7.828 14.800 -7.105 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.213 14.886 -5.197 1.00 0.00 C ATOM 0 H LEU A 42 -4.668 16.397 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.606 14.741 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.741 14.232 -8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.459 13.236 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.198 16.160 -6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.516 15.417 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.954 15.013 -8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.040 13.747 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.924 15.501 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.385 13.835 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.198 15.160 -4.911 1.00 0.00 H new ATOM 621 N ARG A 43 -3.123 13.826 -9.556 1.00 0.00 N ATOM 622 CA ARG A 43 -2.338 12.944 -10.412 1.00 0.00 C ATOM 623 C ARG A 43 -0.952 12.705 -9.821 1.00 0.00 C ATOM 624 O ARG A 43 -0.391 11.617 -9.949 1.00 0.00 O ATOM 625 CB ARG A 43 -2.210 13.541 -11.815 1.00 0.00 C ATOM 626 CG ARG A 43 -3.483 13.438 -12.639 1.00 0.00 C ATOM 627 CD ARG A 43 -3.184 13.465 -14.130 1.00 0.00 C ATOM 628 NE ARG A 43 -2.107 12.547 -14.489 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.376 12.667 -15.591 1.00 0.00 C ATOM 630 NH1 ARG A 43 -1.604 13.663 -16.437 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.413 11.792 -15.849 1.00 0.00 N ATOM 0 H ARG A 43 -3.692 14.506 -10.060 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.856 11.987 -10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.926 14.590 -11.730 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.403 13.034 -12.344 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.007 12.515 -12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.150 14.262 -12.385 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.084 13.202 -14.685 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.911 14.478 -14.427 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.905 11.771 -13.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.342 14.339 -16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.041 13.753 -17.283 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.233 11.026 -15.200 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.148 11.886 -16.696 1.00 0.00 H new ATOM 645 N SER A 44 -0.406 13.730 -9.173 1.00 0.00 N ATOM 646 CA SER A 44 0.916 13.633 -8.566 1.00 0.00 C ATOM 647 C SER A 44 0.958 12.512 -7.532 1.00 0.00 C ATOM 648 O SER A 44 1.889 11.706 -7.509 1.00 0.00 O ATOM 649 CB SER A 44 1.298 14.961 -7.910 1.00 0.00 C ATOM 650 OG SER A 44 2.473 14.825 -7.130 1.00 0.00 O ATOM 0 H SER A 44 -0.859 14.636 -9.055 1.00 0.00 H new ATOM 0 HA SER A 44 1.634 13.405 -9.354 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.453 15.718 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.478 15.309 -7.281 1.00 0.00 H new ATOM 0 HG SER A 44 2.697 15.688 -6.723 1.00 0.00 H new ATOM 656 N LEU A 45 -0.058 12.466 -6.676 1.00 0.00 N ATOM 657 CA LEU A 45 -0.139 11.444 -5.638 1.00 0.00 C ATOM 658 C LEU A 45 0.055 10.052 -6.229 1.00 0.00 C ATOM 659 O LEU A 45 0.006 9.871 -7.446 1.00 0.00 O ATOM 660 CB LEU A 45 -1.488 11.523 -4.922 1.00 0.00 C ATOM 661 CG LEU A 45 -1.694 12.733 -4.009 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.163 12.884 -3.646 1.00 0.00 C ATOM 663 CD2 LEU A 45 -0.842 12.606 -2.755 1.00 0.00 C ATOM 0 H LEU A 45 -0.837 13.125 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 45 0.659 11.627 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.277 11.522 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.614 10.618 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.381 13.628 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.290 13.750 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.750 13.023 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.504 11.988 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.001 13.476 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.123 11.703 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.210 12.549 -3.034 1.00 0.00 H new ATOM 675 N GLN A 46 0.273 9.071 -5.359 1.00 0.00 N ATOM 676 CA GLN A 46 0.473 7.694 -5.796 1.00 0.00 C ATOM 677 C GLN A 46 -0.816 6.889 -5.666 1.00 0.00 C ATOM 678 O GLN A 46 -1.644 7.161 -4.797 1.00 0.00 O ATOM 679 CB GLN A 46 1.585 7.033 -4.978 1.00 0.00 C ATOM 680 CG GLN A 46 2.919 7.756 -5.070 1.00 0.00 C ATOM 681 CD GLN A 46 3.481 7.768 -6.477 1.00 0.00 C ATOM 682 OE1 GLN A 46 3.051 6.997 -7.336 1.00 0.00 O ATOM 683 NE2 GLN A 46 4.447 8.646 -6.722 1.00 0.00 N ATOM 0 H GLN A 46 0.316 9.204 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 46 0.765 7.712 -6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.278 6.986 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.714 6.006 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.796 8.782 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.634 7.277 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.773 9.266 -5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.863 8.700 -7.652 1.00 0.00 H new ATOM 692 N ARG A 47 -0.980 5.899 -6.537 1.00 0.00 N ATOM 693 CA ARG A 47 -2.169 5.056 -6.521 1.00 0.00 C ATOM 694 C ARG A 47 -3.413 5.864 -6.880 1.00 0.00 C ATOM 695 O ARG A 47 -4.522 5.535 -6.458 1.00 0.00 O ATOM 696 CB ARG A 47 -2.346 4.412 -5.145 1.00 0.00 C ATOM 697 CG ARG A 47 -1.041 3.946 -4.519 1.00 0.00 C ATOM 698 CD ARG A 47 -0.707 2.519 -4.925 1.00 0.00 C ATOM 699 NE ARG A 47 -1.783 1.590 -4.593 1.00 0.00 N ATOM 700 CZ ARG A 47 -1.915 0.389 -5.146 1.00 0.00 C ATOM 701 NH1 ARG A 47 -1.041 -0.025 -6.054 1.00 0.00 N ATOM 702 NH2 ARG A 47 -2.921 -0.400 -4.792 1.00 0.00 N ATOM 0 H ARG A 47 -0.304 5.661 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.038 4.272 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.825 5.128 -4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.020 3.560 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.232 4.611 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.114 4.009 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.515 2.483 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.210 2.205 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.472 1.879 -3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.266 0.579 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.144 -0.947 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.595 -0.085 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.021 -1.322 -5.218 1.00 0.00 H new ATOM 716 N ILE A 48 -3.220 6.921 -7.661 1.00 0.00 N ATOM 717 CA ILE A 48 -4.326 7.775 -8.077 1.00 0.00 C ATOM 718 C ILE A 48 -4.535 7.709 -9.586 1.00 0.00 C ATOM 719 O ILE A 48 -5.540 7.183 -10.061 1.00 0.00 O ATOM 720 CB ILE A 48 -4.090 9.241 -7.667 1.00 0.00 C ATOM 721 CG1 ILE A 48 -4.111 9.376 -6.143 1.00 0.00 C ATOM 722 CG2 ILE A 48 -5.140 10.143 -8.298 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.319 8.737 -5.495 1.00 0.00 C ATOM 0 H ILE A 48 -2.308 7.207 -8.019 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.218 7.404 -7.573 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.109 9.551 -8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.208 8.923 -5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.085 10.433 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.960 11.176 -7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.082 10.064 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.131 9.836 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.266 8.872 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.227 9.206 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.336 7.672 -5.727 1.00 0.00 H new ATOM 735 N GLY A 49 -3.575 8.244 -10.335 1.00 0.00 N ATOM 736 CA GLY A 49 -3.672 8.234 -11.783 1.00 0.00 C ATOM 737 C GLY A 49 -4.621 9.293 -12.308 1.00 0.00 C ATOM 738 O GLY A 49 -5.399 9.885 -11.561 1.00 0.00 O ATOM 0 H GLY A 49 -2.732 8.684 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.682 8.393 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.009 7.252 -12.115 1.00 0.00 H new ATOM 742 N PRO A 50 -4.562 9.545 -13.624 1.00 0.00 N ATOM 743 CA PRO A 50 -5.415 10.542 -14.278 1.00 0.00 C ATOM 744 C PRO A 50 -6.877 10.111 -14.327 1.00 0.00 C ATOM 745 O PRO A 50 -7.722 10.809 -14.887 1.00 0.00 O ATOM 746 CB PRO A 50 -4.836 10.631 -15.692 1.00 0.00 C ATOM 747 CG PRO A 50 -4.179 9.313 -15.917 1.00 0.00 C ATOM 748 CD PRO A 50 -3.658 8.877 -14.575 1.00 0.00 C ATOM 0 HA PRO A 50 -5.417 11.492 -13.743 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.618 10.814 -16.429 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.121 11.449 -15.776 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.887 8.587 -16.316 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.369 9.399 -16.641 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.689 7.793 -14.465 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.622 9.183 -14.427 1.00 0.00 H new ATOM 756 N LYS A 51 -7.169 8.958 -13.736 1.00 0.00 N ATOM 757 CA LYS A 51 -8.529 8.434 -13.710 1.00 0.00 C ATOM 758 C LYS A 51 -9.247 8.846 -12.429 1.00 0.00 C ATOM 759 O LYS A 51 -10.209 9.614 -12.463 1.00 0.00 O ATOM 760 CB LYS A 51 -8.512 6.908 -13.830 1.00 0.00 C ATOM 761 CG LYS A 51 -9.888 6.274 -13.720 1.00 0.00 C ATOM 762 CD LYS A 51 -9.937 4.924 -14.415 1.00 0.00 C ATOM 763 CE LYS A 51 -11.365 4.418 -14.551 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.418 2.936 -14.687 1.00 0.00 N ATOM 0 H LYS A 51 -6.481 8.368 -13.268 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.069 8.853 -14.559 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.069 6.632 -14.787 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.869 6.498 -13.051 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.151 6.153 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.632 6.938 -14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.483 5.006 -15.403 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.346 4.202 -13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.943 4.723 -13.679 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.832 4.879 -15.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.408 2.631 -14.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.888 2.646 -15.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.995 2.495 -13.845 1.00 0.00 H new ATOM 778 N LYS A 52 -8.772 8.333 -11.299 1.00 0.00 N ATOM 779 CA LYS A 52 -9.366 8.649 -10.005 1.00 0.00 C ATOM 780 C LYS A 52 -9.365 10.155 -9.760 1.00 0.00 C ATOM 781 O LYS A 52 -10.145 10.662 -8.954 1.00 0.00 O ATOM 782 CB LYS A 52 -8.604 7.938 -8.884 1.00 0.00 C ATOM 783 CG LYS A 52 -9.149 6.558 -8.559 1.00 0.00 C ATOM 784 CD LYS A 52 -8.250 5.821 -7.580 1.00 0.00 C ATOM 785 CE LYS A 52 -7.107 5.117 -8.295 1.00 0.00 C ATOM 786 NZ LYS A 52 -6.624 3.930 -7.536 1.00 0.00 N ATOM 0 H LYS A 52 -7.977 7.696 -11.253 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.399 8.300 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.556 7.848 -9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.638 8.554 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.150 6.651 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.243 5.977 -9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.847 6.526 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.838 5.091 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.436 4.805 -9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.283 5.816 -8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.368 3.173 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.790 4.194 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.377 3.593 -6.902 1.00 0.00 H new ATOM 800 N ALA A 53 -8.486 10.863 -10.461 1.00 0.00 N ATOM 801 CA ALA A 53 -8.387 12.311 -10.321 1.00 0.00 C ATOM 802 C ALA A 53 -9.642 13.000 -10.847 1.00 0.00 C ATOM 803 O ALA A 53 -10.014 14.074 -10.374 1.00 0.00 O ATOM 804 CB ALA A 53 -7.155 12.828 -11.049 1.00 0.00 C ATOM 0 H ALA A 53 -7.832 10.458 -11.131 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.294 12.544 -9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.093 13.910 -10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.262 12.368 -10.626 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.226 12.577 -12.107 1.00 0.00 H new ATOM 810 N GLN A 54 -10.288 12.376 -11.826 1.00 0.00 N ATOM 811 CA GLN A 54 -11.501 12.932 -12.415 1.00 0.00 C ATOM 812 C GLN A 54 -12.744 12.364 -11.739 1.00 0.00 C ATOM 813 O GLN A 54 -13.811 12.981 -11.759 1.00 0.00 O ATOM 814 CB GLN A 54 -11.544 12.639 -13.916 1.00 0.00 C ATOM 815 CG GLN A 54 -10.205 12.826 -14.611 1.00 0.00 C ATOM 816 CD GLN A 54 -10.353 13.249 -16.059 1.00 0.00 C ATOM 817 OE1 GLN A 54 -11.124 12.658 -16.815 1.00 0.00 O ATOM 818 NE2 GLN A 54 -9.613 14.279 -16.454 1.00 0.00 N ATOM 0 H GLN A 54 -9.993 11.486 -12.228 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.488 14.011 -12.262 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.883 11.614 -14.068 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.281 13.291 -14.384 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.623 13.576 -14.075 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.643 11.893 -14.565 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.987 14.740 -15.794 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.671 14.609 -17.417 1.00 0.00 H new ATOM 827 N LEU A 55 -12.601 11.187 -11.141 1.00 0.00 N ATOM 828 CA LEU A 55 -13.713 10.535 -10.458 1.00 0.00 C ATOM 829 C LEU A 55 -14.031 11.237 -9.141 1.00 0.00 C ATOM 830 O LEU A 55 -15.186 11.294 -8.719 1.00 0.00 O ATOM 831 CB LEU A 55 -13.387 9.063 -10.198 1.00 0.00 C ATOM 832 CG LEU A 55 -13.140 8.202 -11.437 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.810 6.773 -11.037 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.351 8.234 -12.359 1.00 0.00 C ATOM 0 H LEU A 55 -11.726 10.664 -11.115 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.589 10.598 -11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.502 9.014 -9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.209 8.624 -9.633 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.287 8.612 -11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.637 6.175 -11.932 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.913 6.766 -10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.643 6.351 -10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.157 7.616 -13.236 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.222 7.849 -11.829 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.542 9.260 -12.674 1.00 0.00 H new ATOM 846 N ILE A 56 -12.998 11.772 -8.498 1.00 0.00 N ATOM 847 CA ILE A 56 -13.167 12.473 -7.232 1.00 0.00 C ATOM 848 C ILE A 56 -13.540 13.935 -7.458 1.00 0.00 C ATOM 849 O ILE A 56 -14.509 14.435 -6.888 1.00 0.00 O ATOM 850 CB ILE A 56 -11.888 12.408 -6.376 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.415 10.959 -6.238 1.00 0.00 C ATOM 852 CG2 ILE A 56 -12.135 13.023 -5.007 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.923 10.829 -6.026 1.00 0.00 C ATOM 0 H ILE A 56 -12.036 11.733 -8.833 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.976 11.972 -6.700 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.105 12.981 -6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.935 10.494 -5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.696 10.406 -7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.222 12.969 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.431 14.065 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.929 12.475 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.659 9.775 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.396 11.265 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.638 11.353 -5.114 1.00 0.00 H new ATOM 865 N VAL A 57 -12.763 14.614 -8.297 1.00 0.00 N ATOM 866 CA VAL A 57 -13.013 16.018 -8.602 1.00 0.00 C ATOM 867 C VAL A 57 -14.390 16.208 -9.227 1.00 0.00 C ATOM 868 O VAL A 57 -15.175 17.045 -8.783 1.00 0.00 O ATOM 869 CB VAL A 57 -11.945 16.583 -9.557 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.310 17.995 -9.991 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.574 16.558 -8.897 1.00 0.00 C ATOM 0 H VAL A 57 -11.956 14.215 -8.777 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.969 16.560 -7.657 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.907 15.953 -10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.544 18.378 -10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.271 17.981 -10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.377 18.639 -9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.831 16.961 -9.586 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.595 17.164 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.312 15.531 -8.641 1.00 0.00 H new ATOM 881 N GLY A 58 -14.677 15.425 -10.262 1.00 0.00 N ATOM 882 CA GLY A 58 -15.961 15.522 -10.933 1.00 0.00 C ATOM 883 C GLY A 58 -17.126 15.305 -9.988 1.00 0.00 C ATOM 884 O GLY A 58 -18.186 15.911 -10.149 1.00 0.00 O ATOM 0 H GLY A 58 -14.044 14.725 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.052 16.504 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.005 14.785 -11.735 1.00 0.00 H new ATOM 888 N TRP A 59 -16.932 14.437 -9.001 1.00 0.00 N ATOM 889 CA TRP A 59 -17.977 14.140 -8.028 1.00 0.00 C ATOM 890 C TRP A 59 -18.189 15.317 -7.082 1.00 0.00 C ATOM 891 O TRP A 59 -19.288 15.865 -6.996 1.00 0.00 O ATOM 892 CB TRP A 59 -17.617 12.886 -7.230 1.00 0.00 C ATOM 893 CG TRP A 59 -18.665 12.497 -6.231 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.842 13.023 -4.983 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.678 11.499 -6.396 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.905 12.411 -4.362 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.435 11.473 -5.208 1.00 0.00 C ATOM 898 CE3 TRP A 59 -20.020 10.626 -7.432 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -21.511 10.607 -5.030 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -21.088 9.767 -7.253 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.824 9.763 -6.061 1.00 0.00 C ATOM 0 H TRP A 59 -16.061 13.927 -8.854 1.00 0.00 H new ATOM 0 HA TRP A 59 -18.906 13.962 -8.571 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.458 12.058 -7.920 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.674 13.053 -6.710 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.236 13.804 -4.548 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.244 12.621 -3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.460 10.622 -8.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -22.078 10.602 -4.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.360 9.087 -8.046 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.654 9.081 -5.954 1.00 0.00 H new ATOM 912 N ARG A 60 -17.132 15.699 -6.373 1.00 0.00 N ATOM 913 CA ARG A 60 -17.204 16.811 -5.432 1.00 0.00 C ATOM 914 C ARG A 60 -17.751 18.063 -6.111 1.00 0.00 C ATOM 915 O ARG A 60 -18.511 18.823 -5.511 1.00 0.00 O ATOM 916 CB ARG A 60 -15.822 17.099 -4.844 1.00 0.00 C ATOM 917 CG ARG A 60 -14.859 17.734 -5.834 1.00 0.00 C ATOM 918 CD ARG A 60 -13.577 18.186 -5.152 1.00 0.00 C ATOM 919 NE ARG A 60 -13.788 19.364 -4.315 1.00 0.00 N ATOM 920 CZ ARG A 60 -14.029 20.577 -4.800 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.090 20.770 -6.110 1.00 0.00 N ATOM 922 NH2 ARG A 60 -14.210 21.599 -3.973 1.00 0.00 N ATOM 0 H ARG A 60 -16.216 15.255 -6.432 1.00 0.00 H new ATOM 0 HA ARG A 60 -17.882 16.530 -4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -15.933 17.759 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.391 16.167 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.621 17.019 -6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.338 18.588 -6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.185 17.373 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.824 18.408 -5.908 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.748 19.249 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.952 19.986 -6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.275 21.702 -6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.164 21.453 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.395 22.530 -4.346 1.00 0.00 H new ATOM 936 N GLU A 61 -17.359 18.270 -7.364 1.00 0.00 N ATOM 937 CA GLU A 61 -17.810 19.431 -8.123 1.00 0.00 C ATOM 938 C GLU A 61 -19.330 19.560 -8.069 1.00 0.00 C ATOM 939 O GLU A 61 -19.868 20.663 -7.972 1.00 0.00 O ATOM 940 CB GLU A 61 -17.346 19.329 -9.577 1.00 0.00 C ATOM 941 CG GLU A 61 -15.977 19.938 -9.824 1.00 0.00 C ATOM 942 CD GLU A 61 -15.772 20.348 -11.270 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.352 19.691 -12.159 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.032 21.324 -11.511 1.00 0.00 O ATOM 0 H GLU A 61 -16.731 17.650 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.372 20.321 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.325 18.279 -9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.075 19.824 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.850 20.810 -9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.208 19.219 -9.542 1.00 0.00 H new ATOM 951 N LEU A 62 -20.016 18.424 -8.134 1.00 0.00 N ATOM 952 CA LEU A 62 -21.474 18.408 -8.094 1.00 0.00 C ATOM 953 C LEU A 62 -21.977 18.158 -6.676 1.00 0.00 C ATOM 954 O LEU A 62 -22.643 19.007 -6.083 1.00 0.00 O ATOM 955 CB LEU A 62 -22.018 17.333 -9.037 1.00 0.00 C ATOM 956 CG LEU A 62 -22.002 17.677 -10.527 1.00 0.00 C ATOM 957 CD1 LEU A 62 -21.908 16.412 -11.365 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.241 18.477 -10.902 1.00 0.00 C ATOM 0 H LEU A 62 -19.586 17.503 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.833 19.384 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.439 16.421 -8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.045 17.109 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.123 18.289 -10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -21.898 16.676 -12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -20.991 15.878 -11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -22.767 15.774 -11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.213 18.713 -11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.133 17.890 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.265 19.402 -10.325 1.00 0.00 H new ATOM 970 N HIS A 63 -21.651 16.988 -6.135 1.00 0.00 N ATOM 971 CA HIS A 63 -22.067 16.627 -4.785 1.00 0.00 C ATOM 972 C HIS A 63 -21.591 17.666 -3.774 1.00 0.00 C ATOM 973 O HIS A 63 -22.388 18.226 -3.022 1.00 0.00 O ATOM 974 CB HIS A 63 -21.523 15.248 -4.412 1.00 0.00 C ATOM 975 CG HIS A 63 -22.378 14.116 -4.893 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.298 13.475 -4.091 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.449 13.513 -6.102 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.897 12.524 -4.786 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.401 12.527 -6.010 1.00 0.00 N ATOM 0 H HIS A 63 -21.100 16.274 -6.611 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.156 16.597 -4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.521 15.137 -4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.428 15.185 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.866 13.761 -6.977 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.662 11.858 -4.416 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.679 11.899 -6.764 1.00 0.00 H new ATOM 988 N GLY A 64 -20.285 17.918 -3.761 1.00 0.00 N ATOM 989 CA GLY A 64 -19.726 18.888 -2.838 1.00 0.00 C ATOM 990 C GLY A 64 -18.469 18.383 -2.158 1.00 0.00 C ATOM 991 O GLY A 64 -17.798 17.471 -2.644 1.00 0.00 O ATOM 0 H GLY A 64 -19.605 17.468 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.500 19.809 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.470 19.136 -2.081 1.00 0.00 H new ATOM 995 N PRO A 65 -18.132 18.983 -1.007 1.00 0.00 N ATOM 996 CA PRO A 65 -16.944 18.606 -0.236 1.00 0.00 C ATOM 997 C PRO A 65 -17.084 17.232 0.409 1.00 0.00 C ATOM 998 O PRO A 65 -18.194 16.763 0.660 1.00 0.00 O ATOM 999 CB PRO A 65 -16.858 19.694 0.838 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.256 20.186 0.991 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.885 20.077 -0.371 1.00 0.00 C ATOM 0 HA PRO A 65 -16.056 18.536 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.474 19.294 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.186 20.497 0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.802 19.589 1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.270 21.216 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.949 19.848 -0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.793 21.007 -0.932 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.951 16.590 0.675 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.948 15.268 1.291 1.00 0.00 C ATOM 1011 C PHE A 66 -15.781 15.373 2.804 1.00 0.00 C ATOM 1012 O PHE A 66 -14.765 15.865 3.294 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.827 14.410 0.701 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.949 14.199 -0.781 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.874 13.302 -1.292 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -14.141 14.898 -1.663 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.988 13.106 -2.656 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.251 14.706 -3.028 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.177 13.809 -3.524 1.00 0.00 C ATOM 0 H PHE A 66 -15.023 16.964 0.474 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.907 14.795 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.868 14.882 0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.823 13.440 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.512 12.750 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.416 15.601 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.711 12.403 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.614 15.256 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.266 13.658 -4.590 1.00 0.00 H new ATOM 1029 N SER A 67 -16.786 14.907 3.538 1.00 0.00 N ATOM 1030 CA SER A 67 -16.754 14.952 4.995 1.00 0.00 C ATOM 1031 C SER A 67 -15.523 14.230 5.533 1.00 0.00 C ATOM 1032 O SER A 67 -15.021 14.556 6.609 1.00 0.00 O ATOM 1033 CB SER A 67 -18.022 14.322 5.574 1.00 0.00 C ATOM 1034 OG SER A 67 -19.116 15.219 5.503 1.00 0.00 O ATOM 0 H SER A 67 -17.633 14.494 3.147 1.00 0.00 H new ATOM 0 HA SER A 67 -16.704 15.997 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.260 13.409 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.849 14.037 6.612 1.00 0.00 H new ATOM 0 HG SER A 67 -19.914 14.792 5.878 1.00 0.00 H new ATOM 1040 N GLN A 68 -15.041 13.249 4.777 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.869 12.480 5.178 1.00 0.00 C ATOM 1042 C GLN A 68 -13.230 11.794 3.975 1.00 0.00 C ATOM 1043 O GLN A 68 -13.760 11.844 2.865 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.252 11.439 6.231 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.254 10.410 5.733 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.111 9.843 6.847 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -16.035 10.288 7.992 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -16.933 8.854 6.517 1.00 0.00 N ATOM 0 H GLN A 68 -15.444 12.968 3.883 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.142 13.170 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.351 10.924 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.669 11.949 7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.898 10.869 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.720 9.597 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.964 8.516 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.534 8.432 7.225 1.00 0.00 H new ATOM 1057 N VAL A 69 -12.088 11.153 4.203 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.377 10.456 3.139 1.00 0.00 C ATOM 1059 C VAL A 69 -12.063 9.140 2.790 1.00 0.00 C ATOM 1060 O VAL A 69 -11.934 8.639 1.673 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.915 10.172 3.532 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.100 9.775 2.311 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.304 11.383 4.221 1.00 0.00 C ATOM 0 H VAL A 69 -11.636 11.102 5.116 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.390 11.111 2.268 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.902 9.338 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.070 9.579 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.527 8.876 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.118 10.585 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.271 11.165 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.329 12.238 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.874 11.616 5.121 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.792 8.586 3.753 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.499 7.327 3.547 1.00 0.00 C ATOM 1075 C GLU A 70 -14.582 7.479 2.483 1.00 0.00 C ATOM 1076 O GLU A 70 -15.112 6.490 1.976 1.00 0.00 O ATOM 1077 CB GLU A 70 -14.121 6.845 4.859 1.00 0.00 C ATOM 1078 CG GLU A 70 -14.307 5.338 4.927 1.00 0.00 C ATOM 1079 CD GLU A 70 -15.438 4.931 5.851 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -16.612 5.099 5.459 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -15.150 4.445 6.964 1.00 0.00 O ATOM 0 H GLU A 70 -12.909 8.988 4.683 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.777 6.587 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.490 7.163 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.089 7.328 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.505 4.955 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.380 4.876 5.268 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.906 8.724 2.150 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.925 9.007 1.147 1.00 0.00 C ATOM 1090 C ASP A 71 -15.508 8.468 -0.218 1.00 0.00 C ATOM 1091 O ASP A 71 -16.329 8.355 -1.130 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.180 10.512 1.058 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.270 10.971 2.007 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -18.424 10.521 1.847 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -16.970 11.782 2.908 1.00 0.00 O ATOM 0 H ASP A 71 -14.477 9.553 2.561 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.846 8.508 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.258 11.048 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.459 10.771 0.037 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.229 8.137 -0.352 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.702 7.611 -1.607 1.00 0.00 C ATOM 1102 C LEU A 72 -14.301 6.243 -1.918 1.00 0.00 C ATOM 1103 O LEU A 72 -14.159 5.730 -3.027 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.177 7.509 -1.540 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.421 8.833 -1.418 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.929 8.583 -1.266 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.696 9.717 -2.626 1.00 0.00 C ATOM 0 H LEU A 72 -13.537 8.223 0.393 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.979 8.299 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.912 6.882 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.827 6.995 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.774 9.351 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.407 9.536 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.749 7.989 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.560 8.044 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.150 10.655 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.371 9.206 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.764 9.924 -2.690 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.973 5.658 -0.930 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.595 4.350 -1.100 1.00 0.00 C ATOM 1121 C GLU A 73 -16.862 4.456 -1.943 1.00 0.00 C ATOM 1122 O GLU A 73 -17.216 3.527 -2.669 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.925 3.737 0.263 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.686 2.426 0.172 1.00 0.00 C ATOM 1125 CD GLU A 73 -17.458 2.110 1.438 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -16.930 2.378 2.537 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -18.590 1.594 1.329 1.00 0.00 O ATOM 0 H GLU A 73 -15.100 6.069 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.887 3.704 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.998 3.572 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.514 4.450 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.378 2.469 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.985 1.617 -0.033 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.542 5.593 -1.840 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.771 5.820 -2.591 1.00 0.00 C ATOM 1136 C ARG A 74 -18.463 6.336 -3.993 1.00 0.00 C ATOM 1137 O ARG A 74 -19.230 6.112 -4.930 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.667 6.817 -1.854 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.387 8.268 -2.212 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.393 9.206 -1.565 1.00 0.00 C ATOM 1141 NE ARG A 74 -19.994 10.606 -1.687 1.00 0.00 N ATOM 1142 CZ ARG A 74 -20.563 11.594 -1.006 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -21.551 11.338 -0.159 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -20.145 12.842 -1.172 1.00 0.00 N ATOM 0 H ARG A 74 -17.263 6.372 -1.244 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.295 4.868 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.709 6.591 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.536 6.685 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.380 8.535 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.419 8.389 -3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.369 9.066 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.501 8.950 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.237 10.837 -2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.876 10.380 -0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.986 12.099 0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.386 13.043 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.583 13.600 -0.649 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.337 7.027 -4.131 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.927 7.574 -5.419 1.00 0.00 C ATOM 1160 C VAL A 75 -16.957 6.505 -6.504 1.00 0.00 C ATOM 1161 O VAL A 75 -16.333 5.453 -6.369 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.513 8.179 -5.348 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -14.948 8.382 -6.745 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.532 9.490 -4.576 1.00 0.00 C ATOM 0 H VAL A 75 -16.691 7.222 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.638 8.361 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.865 7.481 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.948 8.810 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.896 7.422 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.594 9.059 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.524 9.903 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.194 10.197 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.891 9.310 -3.563 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.686 6.782 -7.581 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.796 5.842 -8.691 1.00 0.00 C ATOM 1176 C GLU A 76 -16.423 5.530 -9.279 1.00 0.00 C ATOM 1177 O GLU A 76 -15.740 6.416 -9.791 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.712 6.408 -9.778 1.00 0.00 C ATOM 1179 CG GLU A 76 -20.156 6.570 -9.333 1.00 0.00 C ATOM 1180 CD GLU A 76 -21.127 6.589 -10.498 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -21.444 5.502 -11.024 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -21.569 7.692 -10.884 1.00 0.00 O ATOM 0 H GLU A 76 -18.209 7.649 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 76 -18.226 4.917 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.328 7.377 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.680 5.751 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -20.418 5.754 -8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -20.256 7.496 -8.766 1.00 0.00 H new ATOM 1189 N GLY A 77 -16.025 4.264 -9.199 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.735 3.857 -9.726 1.00 0.00 C ATOM 1191 C GLY A 77 -13.785 3.395 -8.640 1.00 0.00 C ATOM 1192 O GLY A 77 -12.879 2.602 -8.895 1.00 0.00 O ATOM 0 H GLY A 77 -16.573 3.513 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.878 3.051 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.287 4.691 -10.266 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.990 3.894 -7.425 1.00 0.00 N ATOM 1197 CA ILE A 78 -13.143 3.527 -6.297 1.00 0.00 C ATOM 1198 C ILE A 78 -13.899 2.651 -5.304 1.00 0.00 C ATOM 1199 O ILE A 78 -15.123 2.729 -5.196 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.612 4.773 -5.564 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.951 5.733 -6.556 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.629 4.369 -4.475 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.552 7.056 -5.942 1.00 0.00 C ATOM 0 H ILE A 78 -14.735 4.553 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.301 2.967 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.452 5.286 -5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.066 5.255 -6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.637 5.918 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.263 5.261 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.129 3.721 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.790 3.836 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.090 7.686 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.437 7.555 -5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.841 6.883 -5.134 1.00 0.00 H new ATOM 1215 N THR A 79 -13.161 1.816 -4.579 1.00 0.00 N ATOM 1216 CA THR A 79 -13.761 0.925 -3.594 1.00 0.00 C ATOM 1217 C THR A 79 -13.091 1.079 -2.233 1.00 0.00 C ATOM 1218 O THR A 79 -11.929 1.473 -2.143 1.00 0.00 O ATOM 1219 CB THR A 79 -13.665 -0.547 -4.036 1.00 0.00 C ATOM 1220 OG1 THR A 79 -12.367 -1.068 -3.728 1.00 0.00 O ATOM 1221 CG2 THR A 79 -13.929 -0.682 -5.528 1.00 0.00 C ATOM 0 H THR A 79 -12.147 1.738 -4.656 1.00 0.00 H new ATOM 0 HA THR A 79 -14.811 1.205 -3.513 1.00 0.00 H new ATOM 0 HB THR A 79 -14.422 -1.115 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.364 -2.039 -3.862 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.856 -1.730 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.929 -0.312 -5.756 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.192 -0.101 -6.082 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.833 0.766 -1.175 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.293 0.876 0.168 1.00 0.00 C ATOM 1231 C GLY A 80 -11.925 0.236 0.297 1.00 0.00 C ATOM 1232 O GLY A 80 -11.179 0.531 1.231 1.00 0.00 O ATOM 0 H GLY A 80 -14.798 0.438 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.226 1.928 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.979 0.405 0.872 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.594 -0.644 -0.641 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.306 -1.328 -0.629 1.00 0.00 C ATOM 1238 C LYS A 81 -9.252 -0.517 -1.375 1.00 0.00 C ATOM 1239 O LYS A 81 -8.208 -0.179 -0.818 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.438 -2.716 -1.261 1.00 0.00 C ATOM 1241 CG LYS A 81 -9.192 -3.573 -1.111 1.00 0.00 C ATOM 1242 CD LYS A 81 -9.111 -4.201 0.270 1.00 0.00 C ATOM 1243 CE LYS A 81 -9.875 -5.516 0.330 1.00 0.00 C ATOM 1244 NZ LYS A 81 -9.533 -6.300 1.549 1.00 0.00 N ATOM 0 H LYS A 81 -12.200 -0.901 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.989 -1.435 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.282 -3.234 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.666 -2.603 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.195 -4.357 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.306 -2.963 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.067 -4.373 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.515 -3.510 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.946 -5.315 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.650 -6.108 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.074 -7.188 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.515 -6.514 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.771 -5.746 2.396 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.533 -0.207 -2.637 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.608 0.566 -3.457 1.00 0.00 C ATOM 1260 C GLN A 82 -8.232 1.874 -2.769 1.00 0.00 C ATOM 1261 O GLN A 82 -7.063 2.255 -2.734 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.227 0.856 -4.826 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.036 -0.270 -5.830 1.00 0.00 C ATOM 1264 CD GLN A 82 -10.157 -1.290 -5.783 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -11.152 -1.169 -6.498 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -10.002 -2.302 -4.938 1.00 0.00 N ATOM 0 H GLN A 82 -10.393 -0.479 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.702 -0.025 -3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.293 1.043 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.788 1.769 -5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.974 0.150 -6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.087 -0.769 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.161 -2.363 -4.364 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.724 -3.019 -4.863 1.00 0.00 H new ATOM 1275 N MET A 83 -9.233 2.558 -2.223 1.00 0.00 N ATOM 1276 CA MET A 83 -9.006 3.824 -1.535 1.00 0.00 C ATOM 1277 C MET A 83 -8.049 3.641 -0.361 1.00 0.00 C ATOM 1278 O MET A 83 -7.184 4.482 -0.118 1.00 0.00 O ATOM 1279 CB MET A 83 -10.333 4.405 -1.041 1.00 0.00 C ATOM 1280 CG MET A 83 -10.915 3.661 0.150 1.00 0.00 C ATOM 1281 SD MET A 83 -10.194 4.186 1.717 1.00 0.00 S ATOM 1282 CE MET A 83 -10.643 5.920 1.733 1.00 0.00 C ATOM 0 H MET A 83 -10.207 2.257 -2.244 1.00 0.00 H new ATOM 0 HA MET A 83 -8.555 4.518 -2.244 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.184 5.450 -0.769 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.054 4.388 -1.858 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.993 3.818 0.180 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.752 2.591 0.020 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.629 6.290 2.758 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.930 6.486 1.133 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.643 6.041 1.317 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.211 2.538 0.362 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.361 2.247 1.511 1.00 0.00 C ATOM 1294 C GLU A 84 -5.893 2.178 1.098 1.00 0.00 C ATOM 1295 O GLU A 84 -5.056 2.918 1.616 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.781 0.929 2.164 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.869 1.088 3.212 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.338 1.624 4.527 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.568 2.606 4.501 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -8.694 1.060 5.584 1.00 0.00 O ATOM 0 H GLU A 84 -8.922 1.832 0.173 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.480 3.055 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.131 0.245 1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.908 0.468 2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.638 1.762 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.347 0.123 3.383 1.00 0.00 H new ATOM 1307 N SER A 85 -5.589 1.285 0.163 1.00 0.00 N ATOM 1308 CA SER A 85 -4.223 1.115 -0.317 1.00 0.00 C ATOM 1309 C SER A 85 -3.607 2.460 -0.691 1.00 0.00 C ATOM 1310 O SER A 85 -2.449 2.734 -0.379 1.00 0.00 O ATOM 1311 CB SER A 85 -4.196 0.176 -1.525 1.00 0.00 C ATOM 1312 OG SER A 85 -4.566 -1.141 -1.155 1.00 0.00 O ATOM 0 H SER A 85 -6.271 0.667 -0.278 1.00 0.00 H new ATOM 0 HA SER A 85 -3.634 0.676 0.488 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.876 0.546 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.197 0.168 -1.961 1.00 0.00 H new ATOM 0 HG SER A 85 -4.543 -1.721 -1.944 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.392 3.296 -1.363 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.926 4.613 -1.781 1.00 0.00 C ATOM 1320 C PHE A 86 -3.422 5.417 -0.586 1.00 0.00 C ATOM 1321 O PHE A 86 -2.265 5.838 -0.550 1.00 0.00 O ATOM 1322 CB PHE A 86 -5.050 5.376 -2.485 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.953 6.866 -2.328 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.784 7.536 -2.654 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -6.030 7.598 -1.856 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.692 8.907 -2.510 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.944 8.970 -1.710 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.773 9.625 -2.038 1.00 0.00 C ATOM 0 H PHE A 86 -5.354 3.085 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.099 4.473 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.036 5.129 -3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.009 5.039 -2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.936 6.980 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.948 7.091 -1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.775 9.417 -2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.791 9.529 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.703 10.697 -1.926 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.298 5.626 0.390 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.943 6.379 1.588 1.00 0.00 C ATOM 1340 C LEU A 87 -2.518 6.060 2.030 1.00 0.00 C ATOM 1341 O LEU A 87 -1.611 6.878 1.877 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.922 6.066 2.720 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.284 6.757 2.640 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.358 5.895 3.286 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.227 8.126 3.300 1.00 0.00 C ATOM 0 H LEU A 87 -5.259 5.285 0.376 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.001 7.441 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.085 4.988 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.453 6.340 3.665 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.540 6.894 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.320 6.402 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.416 4.938 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.108 5.726 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.205 8.603 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.949 8.013 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.487 8.744 2.792 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.328 4.864 2.577 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.013 4.434 3.039 1.00 0.00 C ATOM 1359 C LYS A 88 0.089 5.006 2.152 1.00 0.00 C ATOM 1360 O LYS A 88 0.967 5.727 2.624 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.930 2.906 3.053 1.00 0.00 C ATOM 1362 CG LYS A 88 0.471 2.376 3.303 1.00 0.00 C ATOM 1363 CD LYS A 88 0.661 0.995 2.698 1.00 0.00 C ATOM 1364 CE LYS A 88 1.660 0.170 3.495 1.00 0.00 C ATOM 1365 NZ LYS A 88 3.051 0.346 2.993 1.00 0.00 N ATOM 0 H LYS A 88 -3.068 4.175 2.711 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.870 4.809 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.598 2.521 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.290 2.522 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.202 3.064 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.659 2.333 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.297 0.476 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.006 1.092 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.614 0.459 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.385 -0.883 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.703 0.429 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.318 -0.476 2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.105 1.208 2.414 1.00 0.00 H new ATOM 1379 N ALA A 89 0.035 4.680 0.865 1.00 0.00 N ATOM 1380 CA ALA A 89 1.026 5.163 -0.088 1.00 0.00 C ATOM 1381 C ALA A 89 1.454 6.589 0.242 1.00 0.00 C ATOM 1382 O ALA A 89 2.645 6.895 0.287 1.00 0.00 O ATOM 1383 CB ALA A 89 0.476 5.090 -1.505 1.00 0.00 C ATOM 0 H ALA A 89 -0.685 4.083 0.458 1.00 0.00 H new ATOM 0 HA ALA A 89 1.904 4.521 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.227 5.454 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.226 4.057 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.419 5.707 -1.580 1.00 0.00 H new ATOM 1389 N ASN A 90 0.475 7.458 0.472 1.00 0.00 N ATOM 1390 CA ASN A 90 0.752 8.853 0.796 1.00 0.00 C ATOM 1391 C ASN A 90 1.060 9.015 2.282 1.00 0.00 C ATOM 1392 O ASN A 90 2.099 9.560 2.655 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.439 9.734 0.412 1.00 0.00 C ATOM 1394 CG ASN A 90 -0.044 11.184 0.210 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.565 12.079 0.875 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.882 11.422 -0.712 1.00 0.00 N ATOM 0 H ASN A 90 -0.517 7.221 0.440 1.00 0.00 H new ATOM 0 HA ASN A 90 1.626 9.166 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.890 9.352 -0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.199 9.672 1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.188 12.378 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.287 10.649 -1.240 1.00 0.00 H new ATOM 1403 N ILE A 91 0.150 8.538 3.124 1.00 0.00 N ATOM 1404 CA ILE A 91 0.325 8.628 4.569 1.00 0.00 C ATOM 1405 C ILE A 91 1.758 8.292 4.971 1.00 0.00 C ATOM 1406 O ILE A 91 2.467 9.126 5.536 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.639 7.685 5.313 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -2.058 8.256 5.297 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.166 7.465 6.742 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.115 7.258 5.716 1.00 0.00 C ATOM 0 H ILE A 91 -0.716 8.085 2.831 1.00 0.00 H new ATOM 0 HA ILE A 91 0.103 9.657 4.850 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.650 6.722 4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.101 9.119 5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.286 8.614 4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.857 6.797 7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.829 7.020 6.731 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.130 8.421 7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.096 7.731 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.099 6.405 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.912 6.918 6.731 1.00 0.00 H new ATOM 1422 N LEU A 92 2.178 7.068 4.674 1.00 0.00 N ATOM 1423 CA LEU A 92 3.528 6.622 5.003 1.00 0.00 C ATOM 1424 C LEU A 92 4.572 7.551 4.392 1.00 0.00 C ATOM 1425 O LEU A 92 5.418 8.098 5.097 1.00 0.00 O ATOM 1426 CB LEU A 92 3.748 5.192 4.506 1.00 0.00 C ATOM 1427 CG LEU A 92 2.778 4.138 5.042 1.00 0.00 C ATOM 1428 CD1 LEU A 92 3.266 2.739 4.698 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.604 4.289 6.546 1.00 0.00 C ATOM 0 H LEU A 92 1.604 6.366 4.206 1.00 0.00 H new ATOM 0 HA LEU A 92 3.638 6.645 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.686 5.193 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.762 4.890 4.767 1.00 0.00 H new ATOM 0 HG LEU A 92 1.809 4.289 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.563 2.002 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.338 2.635 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.247 2.576 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.911 3.531 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.569 4.165 7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.208 5.280 6.769 1.00 0.00 H new ATOM 1441 N GLY A 93 4.504 7.725 3.076 1.00 0.00 N ATOM 1442 CA GLY A 93 5.448 8.590 2.393 1.00 0.00 C ATOM 1443 C GLY A 93 5.657 9.906 3.116 1.00 0.00 C ATOM 1444 O GLY A 93 6.792 10.321 3.351 1.00 0.00 O ATOM 0 H GLY A 93 3.812 7.283 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.404 8.076 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.090 8.787 1.382 1.00 0.00 H new ATOM 1448 N LEU A 94 4.559 10.566 3.468 1.00 0.00 N ATOM 1449 CA LEU A 94 4.626 11.845 4.167 1.00 0.00 C ATOM 1450 C LEU A 94 5.700 11.817 5.251 1.00 0.00 C ATOM 1451 O LEU A 94 6.485 12.755 5.384 1.00 0.00 O ATOM 1452 CB LEU A 94 3.269 12.181 4.787 1.00 0.00 C ATOM 1453 CG LEU A 94 2.276 12.904 3.877 1.00 0.00 C ATOM 1454 CD1 LEU A 94 0.846 12.559 4.264 1.00 0.00 C ATOM 1455 CD2 LEU A 94 2.497 14.409 3.935 1.00 0.00 C ATOM 0 H LEU A 94 3.612 10.237 3.281 1.00 0.00 H new ATOM 0 HA LEU A 94 4.888 12.615 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.809 11.254 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.438 12.798 5.670 1.00 0.00 H new ATOM 0 HG LEU A 94 2.444 12.571 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.154 13.083 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.693 11.484 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.665 12.862 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.781 14.907 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.358 14.758 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.510 14.641 3.607 1.00 0.00 H new ATOM 1467 N ALA A 95 5.728 10.734 6.021 1.00 0.00 N ATOM 1468 CA ALA A 95 6.708 10.583 7.089 1.00 0.00 C ATOM 1469 C ALA A 95 6.788 9.134 7.559 1.00 0.00 C ATOM 1470 O ALA A 95 5.830 8.598 8.115 1.00 0.00 O ATOM 1471 CB ALA A 95 6.365 11.499 8.254 1.00 0.00 C ATOM 0 H ALA A 95 5.084 9.949 5.925 1.00 0.00 H new ATOM 0 HA ALA A 95 7.684 10.865 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 95 7.106 11.375 9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.366 12.535 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.378 11.244 8.639 1.00 0.00 H new ATOM 1477 N ALA A 96 7.937 8.506 7.332 1.00 0.00 N ATOM 1478 CA ALA A 96 8.142 7.119 7.733 1.00 0.00 C ATOM 1479 C ALA A 96 9.327 6.993 8.684 1.00 0.00 C ATOM 1480 O ALA A 96 9.210 6.414 9.763 1.00 0.00 O ATOM 1481 CB ALA A 96 8.349 6.241 6.508 1.00 0.00 C ATOM 0 H ALA A 96 8.740 8.935 6.873 1.00 0.00 H new ATOM 0 HA ALA A 96 7.249 6.782 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.501 5.208 6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.470 6.300 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.224 6.585 5.957 1.00 0.00 H new ATOM 1487 N GLY A 97 10.469 7.538 8.275 1.00 0.00 N ATOM 1488 CA GLY A 97 11.660 7.474 9.102 1.00 0.00 C ATOM 1489 C GLY A 97 11.385 7.853 10.544 1.00 0.00 C ATOM 1490 O GLY A 97 11.923 7.240 11.466 1.00 0.00 O ATOM 0 H GLY A 97 10.590 8.023 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.070 6.464 9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.419 8.140 8.693 1.00 0.00 H new ATOM 1494 N GLN A 98 10.547 8.866 10.739 1.00 0.00 N ATOM 1495 CA GLN A 98 10.204 9.327 12.079 1.00 0.00 C ATOM 1496 C GLN A 98 9.444 8.250 12.847 1.00 0.00 C ATOM 1497 O GLN A 98 8.913 7.309 12.256 1.00 0.00 O ATOM 1498 CB GLN A 98 9.366 10.604 12.003 1.00 0.00 C ATOM 1499 CG GLN A 98 7.997 10.397 11.376 1.00 0.00 C ATOM 1500 CD GLN A 98 7.075 9.566 12.247 1.00 0.00 C ATOM 1501 OE1 GLN A 98 7.191 9.568 13.472 1.00 0.00 O ATOM 1502 NE2 GLN A 98 6.152 8.849 11.617 1.00 0.00 N ATOM 0 H GLN A 98 10.093 9.383 9.986 1.00 0.00 H new ATOM 0 HA GLN A 98 11.131 9.541 12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.239 11.006 13.008 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.911 11.352 11.427 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.537 11.367 11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.115 9.908 10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.091 8.877 10.599 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.504 8.270 12.151 1.00 0.00 H new TER 1511 GLN A 98