USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=14 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 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 K(o=0,f=-0.93) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0585 X(o=-0.059,f=-0.5) USER MOD Single : A 28 GLN : amide:sc= -0.828 K(o=-0.83,f=-2.1!) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc=-0.00385 (180deg=-0.0896) USER MOD Single : A 35 ASN : amide:sc= 0.017 K(o=0.017,f=-5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.045 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0239) USER MOD Single : A 54 GLN : amide:sc= -0.0463 K(o=-0.046,f=-1.6) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0801 K(o=-0.08,f=-1.9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.333! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.617 K(o=-0.62,f=-3.4!) USER MOD Single : A 83 MET CE :methyl 160:sc= -2.99 (180deg=-5.21!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -9.1! C(o=-9.1!,f=-8.9!) USER MOD Single : A 98 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.933 -1.436 -1.449 1.00 0.00 N ATOM 2 CA GLY A 1 13.398 -1.118 -0.138 1.00 0.00 C ATOM 3 C GLY A 1 12.487 -2.206 0.396 1.00 0.00 C ATOM 4 O GLY A 1 11.279 -2.186 0.159 1.00 0.00 O ATOM 0 H1 GLY A 1 14.549 -0.662 -1.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.484 -2.317 -1.395 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.150 -1.558 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.221 -0.963 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.846 -0.180 -0.192 1.00 0.00 H new ATOM 8 N SER A 2 13.067 -3.160 1.118 1.00 0.00 N ATOM 9 CA SER A 2 12.300 -4.264 1.682 1.00 0.00 C ATOM 10 C SER A 2 11.978 -4.006 3.151 1.00 0.00 C ATOM 11 O SER A 2 12.819 -3.522 3.907 1.00 0.00 O ATOM 12 CB SER A 2 13.076 -5.576 1.541 1.00 0.00 C ATOM 13 OG SER A 2 13.019 -6.061 0.211 1.00 0.00 O ATOM 0 H SER A 2 14.065 -3.190 1.326 1.00 0.00 H new ATOM 0 HA SER A 2 11.363 -4.343 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.115 -5.421 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.664 -6.321 2.221 1.00 0.00 H new ATOM 0 HG SER A 2 13.523 -6.899 0.146 1.00 0.00 H new ATOM 19 N SER A 3 10.752 -4.334 3.547 1.00 0.00 N ATOM 20 CA SER A 3 10.315 -4.135 4.924 1.00 0.00 C ATOM 21 C SER A 3 10.577 -5.382 5.763 1.00 0.00 C ATOM 22 O SER A 3 11.085 -5.298 6.880 1.00 0.00 O ATOM 23 CB SER A 3 8.826 -3.784 4.963 1.00 0.00 C ATOM 24 OG SER A 3 8.622 -2.402 4.725 1.00 0.00 O ATOM 0 H SER A 3 10.044 -4.739 2.934 1.00 0.00 H new ATOM 0 HA SER A 3 10.887 -3.308 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.292 -4.368 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.411 -4.054 5.934 1.00 0.00 H new ATOM 0 HG SER A 3 7.663 -2.203 4.753 1.00 0.00 H new ATOM 30 N GLY A 4 10.225 -6.542 5.214 1.00 0.00 N ATOM 31 CA GLY A 4 10.429 -7.791 5.924 1.00 0.00 C ATOM 32 C GLY A 4 9.159 -8.611 6.032 1.00 0.00 C ATOM 33 O GLY A 4 8.733 -8.967 7.130 1.00 0.00 O ATOM 0 H GLY A 4 9.802 -6.638 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.193 -8.376 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.807 -7.579 6.924 1.00 0.00 H new ATOM 37 N SER A 5 8.551 -8.909 4.888 1.00 0.00 N ATOM 38 CA SER A 5 7.318 -9.688 4.859 1.00 0.00 C ATOM 39 C SER A 5 7.291 -10.616 3.648 1.00 0.00 C ATOM 40 O SER A 5 7.968 -10.372 2.649 1.00 0.00 O ATOM 41 CB SER A 5 6.104 -8.758 4.830 1.00 0.00 C ATOM 42 OG SER A 5 6.135 -7.844 5.912 1.00 0.00 O ATOM 0 H SER A 5 8.892 -8.623 3.970 1.00 0.00 H new ATOM 0 HA SER A 5 7.279 -10.297 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.084 -8.210 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.189 -9.348 4.875 1.00 0.00 H new ATOM 0 HG SER A 5 5.349 -7.260 5.870 1.00 0.00 H new ATOM 48 N SER A 6 6.504 -11.683 3.746 1.00 0.00 N ATOM 49 CA SER A 6 6.391 -12.651 2.662 1.00 0.00 C ATOM 50 C SER A 6 5.321 -12.224 1.662 1.00 0.00 C ATOM 51 O SER A 6 5.578 -12.131 0.462 1.00 0.00 O ATOM 52 CB SER A 6 6.059 -14.037 3.220 1.00 0.00 C ATOM 53 OG SER A 6 6.161 -15.029 2.213 1.00 0.00 O ATOM 0 H SER A 6 5.936 -11.899 4.565 1.00 0.00 H new ATOM 0 HA SER A 6 7.350 -12.695 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.737 -14.275 4.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.050 -14.035 3.632 1.00 0.00 H new ATOM 0 HG SER A 6 5.946 -15.906 2.594 1.00 0.00 H new ATOM 59 N GLY A 7 4.118 -11.964 2.166 1.00 0.00 N ATOM 60 CA GLY A 7 3.026 -11.550 1.304 1.00 0.00 C ATOM 61 C GLY A 7 2.081 -12.689 0.978 1.00 0.00 C ATOM 62 O GLY A 7 2.176 -13.297 -0.088 1.00 0.00 O ATOM 0 H GLY A 7 3.880 -12.033 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.469 -10.747 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.432 -11.143 0.378 1.00 0.00 H new ATOM 66 N GLU A 8 1.167 -12.979 1.898 1.00 0.00 N ATOM 67 CA GLU A 8 0.202 -14.054 1.703 1.00 0.00 C ATOM 68 C GLU A 8 -1.220 -13.562 1.956 1.00 0.00 C ATOM 69 O GLU A 8 -1.455 -12.728 2.830 1.00 0.00 O ATOM 70 CB GLU A 8 0.519 -15.229 2.632 1.00 0.00 C ATOM 71 CG GLU A 8 0.519 -14.857 4.105 1.00 0.00 C ATOM 72 CD GLU A 8 -0.850 -14.999 4.743 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.847 -15.084 3.996 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.923 -15.025 5.989 1.00 0.00 O ATOM 0 H GLU A 8 1.075 -12.485 2.785 1.00 0.00 H new ATOM 0 HA GLU A 8 0.274 -14.388 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.212 -16.020 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.495 -15.636 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.230 -15.490 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.863 -13.829 4.216 1.00 0.00 H new ATOM 81 N LYS A 9 -2.167 -14.085 1.184 1.00 0.00 N ATOM 82 CA LYS A 9 -3.567 -13.701 1.322 1.00 0.00 C ATOM 83 C LYS A 9 -3.934 -13.504 2.790 1.00 0.00 C ATOM 84 O LYS A 9 -4.130 -14.471 3.525 1.00 0.00 O ATOM 85 CB LYS A 9 -4.473 -14.763 0.697 1.00 0.00 C ATOM 86 CG LYS A 9 -4.468 -14.750 -0.822 1.00 0.00 C ATOM 87 CD LYS A 9 -5.713 -15.409 -1.390 1.00 0.00 C ATOM 88 CE LYS A 9 -5.670 -16.920 -1.220 1.00 0.00 C ATOM 89 NZ LYS A 9 -6.794 -17.590 -1.931 1.00 0.00 N ATOM 0 H LYS A 9 -1.990 -14.777 0.456 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.712 -12.756 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.158 -15.747 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.493 -14.612 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.405 -13.722 -1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.582 -15.268 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.597 -15.011 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.806 -15.163 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.722 -17.301 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.712 -17.168 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.729 -18.619 -1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.699 -17.245 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.739 -17.375 -2.947 1.00 0.00 H new ATOM 103 N ALA A 10 -4.027 -12.246 3.208 1.00 0.00 N ATOM 104 CA ALA A 10 -4.375 -11.923 4.586 1.00 0.00 C ATOM 105 C ALA A 10 -4.618 -10.427 4.755 1.00 0.00 C ATOM 106 O ALA A 10 -4.356 -9.640 3.846 1.00 0.00 O ATOM 107 CB ALA A 10 -3.278 -12.391 5.531 1.00 0.00 C ATOM 0 H ALA A 10 -3.866 -11.434 2.612 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.300 -12.445 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.551 -12.143 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.154 -13.470 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.342 -11.895 5.275 1.00 0.00 H new ATOM 113 N GLU A 11 -5.121 -10.042 5.924 1.00 0.00 N ATOM 114 CA GLU A 11 -5.401 -8.639 6.210 1.00 0.00 C ATOM 115 C GLU A 11 -4.235 -7.754 5.780 1.00 0.00 C ATOM 116 O GLU A 11 -4.419 -6.773 5.058 1.00 0.00 O ATOM 117 CB GLU A 11 -5.680 -8.446 7.701 1.00 0.00 C ATOM 118 CG GLU A 11 -7.102 -8.798 8.105 1.00 0.00 C ATOM 119 CD GLU A 11 -7.326 -10.294 8.208 1.00 0.00 C ATOM 120 OE1 GLU A 11 -6.361 -11.017 8.536 1.00 0.00 O ATOM 121 OE2 GLU A 11 -8.465 -10.742 7.960 1.00 0.00 O ATOM 0 H GLU A 11 -5.343 -10.681 6.688 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.285 -8.347 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.986 -9.060 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.482 -7.408 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.328 -8.334 9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.797 -8.380 7.377 1.00 0.00 H new ATOM 128 N ASP A 12 -3.035 -8.106 6.229 1.00 0.00 N ATOM 129 CA ASP A 12 -1.838 -7.344 5.891 1.00 0.00 C ATOM 130 C ASP A 12 -2.055 -5.855 6.138 1.00 0.00 C ATOM 131 O ASP A 12 -1.699 -5.019 5.305 1.00 0.00 O ATOM 132 CB ASP A 12 -1.452 -7.581 4.430 1.00 0.00 C ATOM 133 CG ASP A 12 -0.638 -8.846 4.245 1.00 0.00 C ATOM 134 OD1 ASP A 12 -1.074 -9.910 4.733 1.00 0.00 O ATOM 135 OD2 ASP A 12 0.435 -8.773 3.610 1.00 0.00 O ATOM 0 H ASP A 12 -2.865 -8.914 6.828 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.026 -7.686 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.356 -7.642 3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.880 -6.728 4.065 1.00 0.00 H new ATOM 140 N CYS A 13 -2.640 -5.529 7.285 1.00 0.00 N ATOM 141 CA CYS A 13 -2.906 -4.140 7.640 1.00 0.00 C ATOM 142 C CYS A 13 -1.604 -3.368 7.828 1.00 0.00 C ATOM 143 O CYS A 13 -0.547 -3.959 8.047 1.00 0.00 O ATOM 144 CB CYS A 13 -3.743 -4.070 8.918 1.00 0.00 C ATOM 145 SG CYS A 13 -5.516 -4.309 8.653 1.00 0.00 S ATOM 0 H CYS A 13 -2.939 -6.208 7.985 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.464 -3.682 6.823 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.385 -4.827 9.616 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.585 -3.101 9.391 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.139 -4.235 9.792 1.00 0.00 H new ATOM 151 N TRP A 14 -1.689 -2.045 7.739 1.00 0.00 N ATOM 152 CA TRP A 14 -0.516 -1.193 7.897 1.00 0.00 C ATOM 153 C TRP A 14 -0.715 -0.200 9.037 1.00 0.00 C ATOM 154 O TRP A 14 0.239 0.178 9.716 1.00 0.00 O ATOM 155 CB TRP A 14 -0.226 -0.443 6.596 1.00 0.00 C ATOM 156 CG TRP A 14 -1.418 0.284 6.051 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.293 -0.170 5.106 1.00 0.00 C ATOM 158 CD2 TRP A 14 -1.863 1.595 6.416 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.256 0.780 4.863 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.015 1.871 5.654 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.402 2.561 7.314 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.709 3.073 5.764 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.091 3.754 7.421 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.235 4.001 6.651 1.00 0.00 C ATOM 0 H TRP A 14 -2.557 -1.540 7.559 1.00 0.00 H new ATOM 0 HA TRP A 14 0.335 -1.830 8.138 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.579 0.272 6.769 1.00 0.00 H new ATOM 0 HB3 TRP A 14 0.132 -1.151 5.849 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.237 -1.133 4.621 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.026 0.687 4.200 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.523 2.379 7.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.590 3.266 5.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.742 4.509 8.110 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.753 4.942 6.760 1.00 0.00 H new ATOM 175 N GLU A 15 -1.960 0.219 9.241 1.00 0.00 N ATOM 176 CA GLU A 15 -2.283 1.169 10.299 1.00 0.00 C ATOM 177 C GLU A 15 -1.772 0.673 11.649 1.00 0.00 C ATOM 178 O GLU A 15 -1.375 1.466 12.505 1.00 0.00 O ATOM 179 CB GLU A 15 -3.794 1.398 10.366 1.00 0.00 C ATOM 180 CG GLU A 15 -4.420 1.727 9.021 1.00 0.00 C ATOM 181 CD GLU A 15 -4.838 0.488 8.254 1.00 0.00 C ATOM 182 OE1 GLU A 15 -5.947 -0.024 8.513 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.056 0.029 7.395 1.00 0.00 O ATOM 0 H GLU A 15 -2.761 -0.084 8.688 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.790 2.113 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.271 0.505 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.999 2.212 11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.290 2.365 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.709 2.297 8.423 1.00 0.00 H new ATOM 190 N LEU A 16 -1.786 -0.642 11.834 1.00 0.00 N ATOM 191 CA LEU A 16 -1.325 -1.245 13.080 1.00 0.00 C ATOM 192 C LEU A 16 0.134 -0.889 13.349 1.00 0.00 C ATOM 193 O LEU A 16 0.584 -0.904 14.495 1.00 0.00 O ATOM 194 CB LEU A 16 -1.490 -2.765 13.025 1.00 0.00 C ATOM 195 CG LEU A 16 -2.927 -3.282 12.958 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.948 -4.752 12.570 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.633 -3.070 14.289 1.00 0.00 C ATOM 0 H LEU A 16 -2.112 -1.312 11.137 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.932 -0.849 13.894 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.950 -3.138 12.155 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.011 -3.194 13.905 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.460 -2.718 12.193 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.979 -5.102 12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.482 -4.877 11.593 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.398 -5.332 13.311 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.655 -3.444 14.223 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.100 -3.608 15.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.651 -2.006 14.526 1.00 0.00 H new ATOM 209 N GLN A 17 0.866 -0.569 12.287 1.00 0.00 N ATOM 210 CA GLN A 17 2.273 -0.209 12.410 1.00 0.00 C ATOM 211 C GLN A 17 2.438 1.301 12.550 1.00 0.00 C ATOM 212 O GLN A 17 3.278 1.775 13.316 1.00 0.00 O ATOM 213 CB GLN A 17 3.058 -0.709 11.196 1.00 0.00 C ATOM 214 CG GLN A 17 3.016 -2.219 11.025 1.00 0.00 C ATOM 215 CD GLN A 17 3.871 -2.699 9.868 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.795 -2.010 9.436 1.00 0.00 O ATOM 217 NE2 GLN A 17 3.566 -3.888 9.360 1.00 0.00 N ATOM 0 H GLN A 17 0.508 -0.552 11.332 1.00 0.00 H new ATOM 0 HA GLN A 17 2.666 -0.684 13.309 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.660 -0.239 10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.096 -0.391 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.356 -2.695 11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.985 -2.534 10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.791 -4.425 9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.106 -4.263 8.581 1.00 0.00 H new ATOM 226 N ILE A 18 1.632 2.050 11.806 1.00 0.00 N ATOM 227 CA ILE A 18 1.689 3.506 11.848 1.00 0.00 C ATOM 228 C ILE A 18 1.078 4.043 13.138 1.00 0.00 C ATOM 229 O ILE A 18 0.063 3.537 13.614 1.00 0.00 O ATOM 230 CB ILE A 18 0.956 4.133 10.647 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.522 5.523 10.346 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.538 4.211 10.920 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.860 6.202 9.167 1.00 0.00 C ATOM 0 H ILE A 18 0.932 1.673 11.167 1.00 0.00 H new ATOM 0 HA ILE A 18 2.743 3.782 11.805 1.00 0.00 H new ATOM 0 HB ILE A 18 1.113 3.500 9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.408 6.152 11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.591 5.437 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.042 4.656 10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.930 3.208 11.091 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.715 4.825 11.803 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.311 7.182 9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.997 5.594 8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.205 6.320 9.366 1.00 0.00 H new ATOM 245 N SER A 19 1.704 5.073 13.699 1.00 0.00 N ATOM 246 CA SER A 19 1.224 5.679 14.935 1.00 0.00 C ATOM 247 C SER A 19 -0.190 6.224 14.760 1.00 0.00 C ATOM 248 O SER A 19 -0.648 6.487 13.648 1.00 0.00 O ATOM 249 CB SER A 19 2.164 6.801 15.377 1.00 0.00 C ATOM 250 OG SER A 19 3.208 6.301 16.194 1.00 0.00 O ATOM 0 H SER A 19 2.545 5.505 13.317 1.00 0.00 H new ATOM 0 HA SER A 19 1.204 4.907 15.705 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.587 7.291 14.500 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.601 7.557 15.924 1.00 0.00 H new ATOM 0 HG SER A 19 3.796 7.038 16.462 1.00 0.00 H new ATOM 256 N PRO A 20 -0.900 6.398 15.884 1.00 0.00 N ATOM 257 CA PRO A 20 -2.272 6.913 15.882 1.00 0.00 C ATOM 258 C PRO A 20 -2.337 8.387 15.497 1.00 0.00 C ATOM 259 O PRO A 20 -3.351 8.859 14.984 1.00 0.00 O ATOM 260 CB PRO A 20 -2.726 6.719 17.331 1.00 0.00 C ATOM 261 CG PRO A 20 -1.467 6.724 18.127 1.00 0.00 C ATOM 262 CD PRO A 20 -0.418 6.105 17.244 1.00 0.00 C ATOM 0 HA PRO A 20 -2.899 6.400 15.152 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.397 7.519 17.646 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.268 5.781 17.454 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.189 7.739 18.411 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.586 6.156 19.049 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.566 6.539 17.424 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.330 5.032 17.417 1.00 0.00 H new ATOM 270 N GLU A 21 -1.249 9.108 15.747 1.00 0.00 N ATOM 271 CA GLU A 21 -1.184 10.529 15.425 1.00 0.00 C ATOM 272 C GLU A 21 -0.781 10.739 13.968 1.00 0.00 C ATOM 273 O GLU A 21 -1.093 11.769 13.369 1.00 0.00 O ATOM 274 CB GLU A 21 -0.191 11.239 16.348 1.00 0.00 C ATOM 275 CG GLU A 21 -0.596 11.214 17.812 1.00 0.00 C ATOM 276 CD GLU A 21 0.003 12.361 18.603 1.00 0.00 C ATOM 277 OE1 GLU A 21 -0.316 13.527 18.289 1.00 0.00 O ATOM 278 OE2 GLU A 21 0.790 12.093 19.535 1.00 0.00 O ATOM 0 H GLU A 21 -0.401 8.732 16.171 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.176 10.955 15.574 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.788 10.772 16.243 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.086 12.275 16.026 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.683 11.256 17.885 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.283 10.269 18.256 1.00 0.00 H new ATOM 285 N LEU A 22 -0.086 9.757 13.405 1.00 0.00 N ATOM 286 CA LEU A 22 0.360 9.834 12.019 1.00 0.00 C ATOM 287 C LEU A 22 -0.797 9.578 11.059 1.00 0.00 C ATOM 288 O LEU A 22 -0.901 10.215 10.010 1.00 0.00 O ATOM 289 CB LEU A 22 1.480 8.822 11.767 1.00 0.00 C ATOM 290 CG LEU A 22 2.855 9.190 12.326 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.579 10.137 11.382 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.720 9.811 13.708 1.00 0.00 C ATOM 0 H LEU A 22 0.181 8.899 13.887 1.00 0.00 H new ATOM 0 HA LEU A 22 0.740 10.840 11.841 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.181 7.865 12.194 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.575 8.675 10.691 1.00 0.00 H new ATOM 0 HG LEU A 22 3.445 8.278 12.416 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.555 10.388 11.796 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.709 9.656 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.992 11.047 11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.708 10.067 14.090 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.111 10.713 13.644 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.243 9.099 14.382 1.00 0.00 H new ATOM 304 N LEU A 23 -1.666 8.642 11.425 1.00 0.00 N ATOM 305 CA LEU A 23 -2.819 8.303 10.597 1.00 0.00 C ATOM 306 C LEU A 23 -3.734 9.510 10.417 1.00 0.00 C ATOM 307 O LEU A 23 -4.032 9.914 9.294 1.00 0.00 O ATOM 308 CB LEU A 23 -3.599 7.146 11.224 1.00 0.00 C ATOM 309 CG LEU A 23 -4.976 6.862 10.623 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.838 6.163 9.280 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.812 6.024 11.579 1.00 0.00 C ATOM 0 H LEU A 23 -1.594 8.105 12.289 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.454 7.998 9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.996 6.242 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.724 7.352 12.287 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.485 7.813 10.464 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.828 5.969 8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.278 6.799 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.309 5.219 9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.789 5.831 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.307 5.077 11.770 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.940 6.562 12.518 1.00 0.00 H new ATOM 323 N ALA A 24 -4.176 10.083 11.532 1.00 0.00 N ATOM 324 CA ALA A 24 -5.053 11.246 11.498 1.00 0.00 C ATOM 325 C ALA A 24 -4.373 12.427 10.813 1.00 0.00 C ATOM 326 O ALA A 24 -4.989 13.134 10.015 1.00 0.00 O ATOM 327 CB ALA A 24 -5.481 11.627 12.908 1.00 0.00 C ATOM 0 H ALA A 24 -3.941 9.760 12.470 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.939 10.984 10.919 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.136 12.497 12.867 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.014 10.793 13.364 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.600 11.864 13.504 1.00 0.00 H new ATOM 333 N HIS A 25 -3.099 12.636 11.131 1.00 0.00 N ATOM 334 CA HIS A 25 -2.335 13.732 10.546 1.00 0.00 C ATOM 335 C HIS A 25 -2.254 13.589 9.029 1.00 0.00 C ATOM 336 O HIS A 25 -2.232 14.581 8.302 1.00 0.00 O ATOM 337 CB HIS A 25 -0.927 13.775 11.141 1.00 0.00 C ATOM 338 CG HIS A 25 0.034 14.603 10.346 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.237 15.894 9.943 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.273 14.318 9.879 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.791 16.366 9.262 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.721 15.430 9.209 1.00 0.00 N ATOM 0 H HIS A 25 -2.574 12.061 11.790 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.849 14.665 10.779 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.982 14.171 12.155 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.542 12.758 11.216 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.809 13.389 10.009 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.860 17.350 8.823 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.625 15.519 8.746 1.00 0.00 H new ATOM 351 N GLY A 26 -2.209 12.346 8.558 1.00 0.00 N ATOM 352 CA GLY A 26 -2.130 12.096 7.131 1.00 0.00 C ATOM 353 C GLY A 26 -3.477 12.216 6.446 1.00 0.00 C ATOM 354 O GLY A 26 -3.689 13.114 5.631 1.00 0.00 O ATOM 0 H GLY A 26 -2.226 11.508 9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.432 12.801 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.728 11.097 6.962 1.00 0.00 H new ATOM 358 N ARG A 27 -4.389 11.307 6.775 1.00 0.00 N ATOM 359 CA ARG A 27 -5.722 11.313 6.184 1.00 0.00 C ATOM 360 C ARG A 27 -6.211 12.741 5.960 1.00 0.00 C ATOM 361 O ARG A 27 -6.738 13.067 4.896 1.00 0.00 O ATOM 362 CB ARG A 27 -6.705 10.561 7.082 1.00 0.00 C ATOM 363 CG ARG A 27 -6.672 9.053 6.893 1.00 0.00 C ATOM 364 CD ARG A 27 -7.578 8.347 7.889 1.00 0.00 C ATOM 365 NE ARG A 27 -7.929 6.999 7.449 1.00 0.00 N ATOM 366 CZ ARG A 27 -8.908 6.737 6.591 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.630 7.726 6.082 1.00 0.00 N ATOM 368 NH2 ARG A 27 -9.167 5.484 6.239 1.00 0.00 N ATOM 0 H ARG A 27 -4.229 10.557 7.448 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.666 10.811 5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.483 10.793 8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.714 10.922 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.983 8.806 5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.650 8.693 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.081 8.294 8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.488 8.931 8.029 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.392 6.216 7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.434 8.691 6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.381 7.522 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.614 4.720 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.919 5.285 5.580 1.00 0.00 H new ATOM 382 N GLN A 28 -6.032 13.587 6.969 1.00 0.00 N ATOM 383 CA GLN A 28 -6.457 14.980 6.882 1.00 0.00 C ATOM 384 C GLN A 28 -5.727 15.702 5.754 1.00 0.00 C ATOM 385 O GLN A 28 -6.339 16.422 4.965 1.00 0.00 O ATOM 386 CB GLN A 28 -6.204 15.696 8.210 1.00 0.00 C ATOM 387 CG GLN A 28 -7.049 16.946 8.397 1.00 0.00 C ATOM 388 CD GLN A 28 -8.527 16.690 8.174 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.999 15.560 8.301 1.00 0.00 O ATOM 390 NE2 GLN A 28 -9.265 17.742 7.839 1.00 0.00 N ATOM 0 H GLN A 28 -5.596 13.333 7.856 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.525 14.995 6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.405 15.006 9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.150 15.967 8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.899 17.334 9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.709 17.717 7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.831 18.660 7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.266 17.632 7.676 1.00 0.00 H new ATOM 399 N LYS A 29 -4.415 15.505 5.684 1.00 0.00 N ATOM 400 CA LYS A 29 -3.600 16.136 4.653 1.00 0.00 C ATOM 401 C LYS A 29 -4.087 15.747 3.261 1.00 0.00 C ATOM 402 O LYS A 29 -4.246 16.601 2.388 1.00 0.00 O ATOM 403 CB LYS A 29 -2.132 15.740 4.820 1.00 0.00 C ATOM 404 CG LYS A 29 -1.368 16.630 5.786 1.00 0.00 C ATOM 405 CD LYS A 29 0.123 16.624 5.490 1.00 0.00 C ATOM 406 CE LYS A 29 0.781 17.927 5.916 1.00 0.00 C ATOM 407 NZ LYS A 29 0.447 19.045 4.991 1.00 0.00 N ATOM 0 H LYS A 29 -3.893 14.913 6.330 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.693 17.216 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.080 14.709 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.643 15.771 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.749 17.649 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.538 16.290 6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.595 15.790 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.283 16.466 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.460 18.183 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.862 17.794 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.088 19.845 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.554 18.725 4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.535 19.347 5.152 1.00 0.00 H new ATOM 421 N ILE A 30 -4.323 14.455 3.061 1.00 0.00 N ATOM 422 CA ILE A 30 -4.794 13.954 1.776 1.00 0.00 C ATOM 423 C ILE A 30 -6.195 14.469 1.466 1.00 0.00 C ATOM 424 O ILE A 30 -6.580 14.591 0.302 1.00 0.00 O ATOM 425 CB ILE A 30 -4.806 12.414 1.742 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.376 11.871 1.749 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.561 11.918 0.518 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.295 10.385 2.019 1.00 0.00 C ATOM 0 H ILE A 30 -4.196 13.736 3.773 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.099 14.320 1.020 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.317 12.049 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.911 12.083 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.798 12.402 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.561 10.828 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.588 12.281 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.075 12.289 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.252 10.070 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.730 10.168 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.845 9.845 1.248 1.00 0.00 H new ATOM 440 N LEU A 31 -6.953 14.773 2.513 1.00 0.00 N ATOM 441 CA LEU A 31 -8.313 15.278 2.354 1.00 0.00 C ATOM 442 C LEU A 31 -8.306 16.675 1.743 1.00 0.00 C ATOM 443 O LEU A 31 -8.965 16.926 0.733 1.00 0.00 O ATOM 444 CB LEU A 31 -9.031 15.302 3.704 1.00 0.00 C ATOM 445 CG LEU A 31 -10.458 15.850 3.695 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.403 14.867 3.022 1.00 0.00 C ATOM 447 CD2 LEU A 31 -10.922 16.153 5.113 1.00 0.00 C ATOM 0 H LEU A 31 -6.649 14.679 3.482 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.846 14.609 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.056 14.286 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.438 15.898 4.398 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.466 16.779 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.414 15.274 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.082 14.700 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.391 13.921 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.940 16.542 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.898 15.239 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.261 16.895 5.561 1.00 0.00 H new ATOM 459 N ASP A 32 -7.556 17.581 2.360 1.00 0.00 N ATOM 460 CA ASP A 32 -7.461 18.954 1.876 1.00 0.00 C ATOM 461 C ASP A 32 -7.034 18.984 0.412 1.00 0.00 C ATOM 462 O ASP A 32 -7.295 19.953 -0.302 1.00 0.00 O ATOM 463 CB ASP A 32 -6.470 19.750 2.726 1.00 0.00 C ATOM 464 CG ASP A 32 -6.572 21.243 2.489 1.00 0.00 C ATOM 465 OD1 ASP A 32 -7.679 21.796 2.654 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.545 21.860 2.136 1.00 0.00 O ATOM 0 H ASP A 32 -7.005 17.390 3.197 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.447 19.412 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.649 19.540 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.456 19.418 2.503 1.00 0.00 H new ATOM 471 N LEU A 33 -6.374 17.919 -0.029 1.00 0.00 N ATOM 472 CA LEU A 33 -5.909 17.824 -1.408 1.00 0.00 C ATOM 473 C LEU A 33 -7.039 17.390 -2.336 1.00 0.00 C ATOM 474 O LEU A 33 -7.204 17.935 -3.428 1.00 0.00 O ATOM 475 CB LEU A 33 -4.745 16.836 -1.508 1.00 0.00 C ATOM 476 CG LEU A 33 -4.242 16.532 -2.919 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.665 17.784 -3.562 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.203 15.420 -2.887 1.00 0.00 C ATOM 0 H LEU A 33 -6.149 17.109 0.549 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.568 18.812 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.912 17.226 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.049 15.899 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.087 16.196 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.312 17.548 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.436 18.552 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.832 18.151 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.856 15.217 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.359 15.728 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.649 14.518 -2.468 1.00 0.00 H new ATOM 490 N LEU A 34 -7.817 16.408 -1.893 1.00 0.00 N ATOM 491 CA LEU A 34 -8.935 15.902 -2.682 1.00 0.00 C ATOM 492 C LEU A 34 -10.027 16.958 -2.818 1.00 0.00 C ATOM 493 O LEU A 34 -10.869 16.882 -3.712 1.00 0.00 O ATOM 494 CB LEU A 34 -9.508 14.639 -2.038 1.00 0.00 C ATOM 495 CG LEU A 34 -8.578 13.426 -1.994 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.114 12.377 -1.033 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.402 12.838 -3.386 1.00 0.00 C ATOM 0 H LEU A 34 -7.694 15.946 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.565 15.659 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.807 14.879 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.413 14.359 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.602 13.753 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.439 11.521 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.186 12.803 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.102 12.053 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.737 11.976 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.372 12.526 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.971 13.590 -4.047 1.00 0.00 H new ATOM 509 N ASN A 35 -10.005 17.943 -1.926 1.00 0.00 N ATOM 510 CA ASN A 35 -10.993 19.016 -1.949 1.00 0.00 C ATOM 511 C ASN A 35 -10.450 20.241 -2.678 1.00 0.00 C ATOM 512 O ASN A 35 -11.062 20.734 -3.625 1.00 0.00 O ATOM 513 CB ASN A 35 -11.396 19.396 -0.522 1.00 0.00 C ATOM 514 CG ASN A 35 -12.466 18.479 0.039 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.214 17.849 -0.708 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.543 18.401 1.363 1.00 0.00 N ATOM 0 H ASN A 35 -9.315 18.021 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.871 18.656 -2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.517 19.362 0.122 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.759 20.424 -0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.243 17.801 1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.902 18.941 1.944 1.00 0.00 H new ATOM 523 N GLU A 36 -9.296 20.726 -2.231 1.00 0.00 N ATOM 524 CA GLU A 36 -8.670 21.894 -2.841 1.00 0.00 C ATOM 525 C GLU A 36 -7.968 21.516 -4.142 1.00 0.00 C ATOM 526 O GLU A 36 -8.006 22.262 -5.120 1.00 0.00 O ATOM 527 CB GLU A 36 -7.669 22.528 -1.874 1.00 0.00 C ATOM 528 CG GLU A 36 -8.273 22.897 -0.529 1.00 0.00 C ATOM 529 CD GLU A 36 -7.383 23.827 0.274 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.147 23.743 0.120 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.923 24.637 1.055 1.00 0.00 O ATOM 0 H GLU A 36 -8.776 20.329 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.453 22.618 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.842 21.836 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.250 23.424 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.241 23.373 -0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.455 21.988 0.045 1.00 0.00 H new ATOM 538 N GLY A 37 -7.326 20.352 -4.146 1.00 0.00 N ATOM 539 CA GLY A 37 -6.623 19.895 -5.330 1.00 0.00 C ATOM 540 C GLY A 37 -7.558 19.304 -6.367 1.00 0.00 C ATOM 541 O GLY A 37 -8.438 18.509 -6.038 1.00 0.00 O ATOM 0 H GLY A 37 -7.280 19.717 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.078 20.730 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.883 19.147 -5.044 1.00 0.00 H new ATOM 545 N SER A 38 -7.368 19.694 -7.624 1.00 0.00 N ATOM 546 CA SER A 38 -8.205 19.201 -8.711 1.00 0.00 C ATOM 547 C SER A 38 -7.555 18.002 -9.396 1.00 0.00 C ATOM 548 O SER A 38 -6.514 17.512 -8.959 1.00 0.00 O ATOM 549 CB SER A 38 -8.457 20.312 -9.733 1.00 0.00 C ATOM 550 OG SER A 38 -7.389 21.243 -9.747 1.00 0.00 O ATOM 0 H SER A 38 -6.642 20.349 -7.914 1.00 0.00 H new ATOM 0 HA SER A 38 -9.158 18.883 -8.288 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.578 19.877 -10.725 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.388 20.826 -9.494 1.00 0.00 H new ATOM 0 HG SER A 38 -7.573 21.942 -10.409 1.00 0.00 H new ATOM 556 N ALA A 39 -8.178 17.535 -10.474 1.00 0.00 N ATOM 557 CA ALA A 39 -7.660 16.396 -11.221 1.00 0.00 C ATOM 558 C ALA A 39 -6.136 16.375 -11.204 1.00 0.00 C ATOM 559 O ALA A 39 -5.524 15.432 -10.702 1.00 0.00 O ATOM 560 CB ALA A 39 -8.174 16.427 -12.653 1.00 0.00 C ATOM 0 H ALA A 39 -9.041 17.928 -10.849 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.014 15.485 -10.739 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.779 15.571 -13.200 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.263 16.385 -12.650 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.848 17.348 -13.137 1.00 0.00 H new ATOM 566 N ARG A 40 -5.528 17.419 -11.757 1.00 0.00 N ATOM 567 CA ARG A 40 -4.074 17.519 -11.806 1.00 0.00 C ATOM 568 C ARG A 40 -3.470 17.350 -10.416 1.00 0.00 C ATOM 569 O ARG A 40 -2.683 16.433 -10.177 1.00 0.00 O ATOM 570 CB ARG A 40 -3.654 18.867 -12.396 1.00 0.00 C ATOM 571 CG ARG A 40 -3.495 18.847 -13.908 1.00 0.00 C ATOM 572 CD ARG A 40 -2.077 18.479 -14.314 1.00 0.00 C ATOM 573 NE ARG A 40 -1.845 17.039 -14.250 1.00 0.00 N ATOM 574 CZ ARG A 40 -0.689 16.466 -14.568 1.00 0.00 C ATOM 575 NH1 ARG A 40 0.334 17.207 -14.969 1.00 0.00 N ATOM 576 NH2 ARG A 40 -0.556 15.148 -14.484 1.00 0.00 N ATOM 0 H ARG A 40 -6.019 18.208 -12.177 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.701 16.718 -12.445 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.396 19.619 -12.127 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.711 19.174 -11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.195 18.132 -14.339 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.749 19.826 -14.315 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.887 18.832 -15.328 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.369 18.989 -13.661 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.612 16.440 -13.945 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.235 18.220 -15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.220 16.764 -15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.341 14.575 -14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.331 14.708 -14.728 1.00 0.00 H new ATOM 590 N ASP A 41 -3.842 18.239 -9.502 1.00 0.00 N ATOM 591 CA ASP A 41 -3.338 18.188 -8.135 1.00 0.00 C ATOM 592 C ASP A 41 -3.266 16.749 -7.635 1.00 0.00 C ATOM 593 O ASP A 41 -2.265 16.333 -7.050 1.00 0.00 O ATOM 594 CB ASP A 41 -4.228 19.019 -7.209 1.00 0.00 C ATOM 595 CG ASP A 41 -3.461 19.603 -6.039 1.00 0.00 C ATOM 596 OD1 ASP A 41 -2.400 19.046 -5.688 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.921 20.618 -5.475 1.00 0.00 O ATOM 0 H ASP A 41 -4.491 19.004 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.331 18.606 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.686 19.827 -7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.039 18.395 -6.833 1.00 0.00 H new ATOM 602 N LEU A 42 -4.333 15.993 -7.869 1.00 0.00 N ATOM 603 CA LEU A 42 -4.391 14.599 -7.442 1.00 0.00 C ATOM 604 C LEU A 42 -3.417 13.742 -8.244 1.00 0.00 C ATOM 605 O LEU A 42 -2.790 12.830 -7.706 1.00 0.00 O ATOM 606 CB LEU A 42 -5.813 14.057 -7.599 1.00 0.00 C ATOM 607 CG LEU A 42 -6.933 14.940 -7.049 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.293 14.400 -7.465 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.838 15.039 -5.533 1.00 0.00 C ATOM 0 H LEU A 42 -5.169 16.321 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.105 14.554 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.000 13.886 -8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.867 13.087 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.819 15.940 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.077 15.042 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.360 14.382 -8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.417 13.389 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.643 15.671 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.926 14.044 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.877 15.473 -5.256 1.00 0.00 H new ATOM 621 N ARG A 43 -3.293 14.044 -9.532 1.00 0.00 N ATOM 622 CA ARG A 43 -2.393 13.303 -10.408 1.00 0.00 C ATOM 623 C ARG A 43 -0.954 13.393 -9.910 1.00 0.00 C ATOM 624 O ARG A 43 -0.085 12.641 -10.353 1.00 0.00 O ATOM 625 CB ARG A 43 -2.484 13.837 -11.838 1.00 0.00 C ATOM 626 CG ARG A 43 -3.745 13.406 -12.570 1.00 0.00 C ATOM 627 CD ARG A 43 -3.596 13.564 -14.075 1.00 0.00 C ATOM 628 NE ARG A 43 -2.584 12.665 -14.623 1.00 0.00 N ATOM 629 CZ ARG A 43 -2.229 12.652 -15.903 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.800 13.485 -16.762 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.299 11.804 -16.326 1.00 0.00 N ATOM 0 H ARG A 43 -3.804 14.797 -9.992 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.698 12.256 -10.399 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.442 14.926 -11.814 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.614 13.497 -12.400 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.968 12.366 -12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.590 14.000 -12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.554 13.368 -14.557 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.328 14.595 -14.306 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.125 12.012 -13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.514 14.138 -16.441 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.525 13.472 -17.744 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.857 11.162 -15.668 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.027 11.794 -17.309 1.00 0.00 H new ATOM 645 N SER A 44 -0.708 14.318 -8.988 1.00 0.00 N ATOM 646 CA SER A 44 0.627 14.510 -8.434 1.00 0.00 C ATOM 647 C SER A 44 0.944 13.436 -7.398 1.00 0.00 C ATOM 648 O SER A 44 2.097 13.032 -7.238 1.00 0.00 O ATOM 649 CB SER A 44 0.744 15.897 -7.799 1.00 0.00 C ATOM 650 OG SER A 44 2.101 16.256 -7.605 1.00 0.00 O ATOM 0 H SER A 44 -1.416 14.947 -8.609 1.00 0.00 H new ATOM 0 HA SER A 44 1.347 14.429 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.257 16.635 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.221 15.908 -6.843 1.00 0.00 H new ATOM 0 HG SER A 44 2.149 17.147 -7.199 1.00 0.00 H new ATOM 656 N LEU A 45 -0.086 12.976 -6.697 1.00 0.00 N ATOM 657 CA LEU A 45 0.081 11.948 -5.676 1.00 0.00 C ATOM 658 C LEU A 45 0.749 10.706 -6.258 1.00 0.00 C ATOM 659 O LEU A 45 1.127 10.685 -7.428 1.00 0.00 O ATOM 660 CB LEU A 45 -1.275 11.576 -5.072 1.00 0.00 C ATOM 661 CG LEU A 45 -1.919 12.630 -4.170 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.358 12.252 -3.853 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.115 12.800 -2.890 1.00 0.00 C ATOM 0 H LEU A 45 -1.046 13.299 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 45 0.723 12.350 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.964 11.353 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.155 10.658 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.923 13.582 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.801 13.013 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.928 12.182 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.377 11.289 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.588 13.554 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.078 11.851 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.102 13.117 -3.136 1.00 0.00 H new ATOM 675 N GLN A 46 0.888 9.674 -5.432 1.00 0.00 N ATOM 676 CA GLN A 46 1.510 8.428 -5.866 1.00 0.00 C ATOM 677 C GLN A 46 0.471 7.476 -6.449 1.00 0.00 C ATOM 678 O GLN A 46 0.407 7.280 -7.663 1.00 0.00 O ATOM 679 CB GLN A 46 2.231 7.759 -4.695 1.00 0.00 C ATOM 680 CG GLN A 46 3.366 8.592 -4.123 1.00 0.00 C ATOM 681 CD GLN A 46 4.664 8.413 -4.886 1.00 0.00 C ATOM 682 OE1 GLN A 46 4.756 7.583 -5.791 1.00 0.00 O ATOM 683 NE2 GLN A 46 5.676 9.194 -4.525 1.00 0.00 N ATOM 0 H GLN A 46 0.579 9.676 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 46 2.236 8.665 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.509 7.553 -3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.627 6.798 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.082 9.644 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.522 8.319 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.555 9.868 -3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.574 9.119 -5.004 1.00 0.00 H new ATOM 692 N ARG A 47 -0.341 6.888 -5.577 1.00 0.00 N ATOM 693 CA ARG A 47 -1.377 5.955 -6.006 1.00 0.00 C ATOM 694 C ARG A 47 -2.563 6.700 -6.611 1.00 0.00 C ATOM 695 O ARG A 47 -3.712 6.469 -6.232 1.00 0.00 O ATOM 696 CB ARG A 47 -1.845 5.101 -4.826 1.00 0.00 C ATOM 697 CG ARG A 47 -0.707 4.454 -4.054 1.00 0.00 C ATOM 698 CD ARG A 47 -0.154 3.242 -4.788 1.00 0.00 C ATOM 699 NE ARG A 47 0.823 3.617 -5.806 1.00 0.00 N ATOM 700 CZ ARG A 47 1.431 2.742 -6.599 1.00 0.00 C ATOM 701 NH1 ARG A 47 1.163 1.448 -6.493 1.00 0.00 N ATOM 702 NH2 ARG A 47 2.309 3.161 -7.501 1.00 0.00 N ATOM 0 H ARG A 47 -0.302 7.041 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.951 5.304 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.427 5.723 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.512 4.322 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.090 5.182 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.060 4.154 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.311 2.565 -4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.974 2.697 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 47 1.051 4.605 -5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.488 1.122 -5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.632 0.778 -7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.518 4.156 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.775 2.488 -8.110 1.00 0.00 H new ATOM 716 N ILE A 48 -2.277 7.594 -7.552 1.00 0.00 N ATOM 717 CA ILE A 48 -3.320 8.372 -8.208 1.00 0.00 C ATOM 718 C ILE A 48 -2.973 8.631 -9.671 1.00 0.00 C ATOM 719 O ILE A 48 -1.804 8.769 -10.028 1.00 0.00 O ATOM 720 CB ILE A 48 -3.547 9.720 -7.499 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.757 9.503 -5.999 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.739 10.444 -8.108 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.043 8.778 -5.668 1.00 0.00 C ATOM 0 H ILE A 48 -1.332 7.797 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.236 7.784 -8.152 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.661 10.340 -7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.916 8.935 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.755 10.470 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.887 11.395 -7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.552 10.626 -9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.633 9.830 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.126 8.659 -4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.891 9.355 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.040 7.796 -6.142 1.00 0.00 H new ATOM 735 N GLY A 49 -4.000 8.699 -10.513 1.00 0.00 N ATOM 736 CA GLY A 49 -3.784 8.944 -11.927 1.00 0.00 C ATOM 737 C GLY A 49 -4.846 9.841 -12.529 1.00 0.00 C ATOM 738 O GLY A 49 -5.697 10.389 -11.828 1.00 0.00 O ATOM 0 H GLY A 49 -4.977 8.589 -10.241 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.804 9.401 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.772 7.993 -12.460 1.00 0.00 H new ATOM 742 N PRO A 50 -4.805 10.004 -13.860 1.00 0.00 N ATOM 743 CA PRO A 50 -5.764 10.842 -14.586 1.00 0.00 C ATOM 744 C PRO A 50 -7.163 10.238 -14.605 1.00 0.00 C ATOM 745 O PRO A 50 -8.116 10.866 -15.067 1.00 0.00 O ATOM 746 CB PRO A 50 -5.186 10.898 -16.002 1.00 0.00 C ATOM 747 CG PRO A 50 -4.375 9.655 -16.129 1.00 0.00 C ATOM 748 CD PRO A 50 -3.818 9.381 -14.759 1.00 0.00 C ATOM 0 HA PRO A 50 -5.884 11.821 -14.121 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.977 10.933 -16.751 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.572 11.787 -16.144 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.988 8.823 -16.474 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.574 9.784 -16.857 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.721 8.312 -14.571 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.827 9.818 -14.633 1.00 0.00 H new ATOM 756 N LYS A 51 -7.282 9.015 -14.099 1.00 0.00 N ATOM 757 CA LYS A 51 -8.566 8.325 -14.056 1.00 0.00 C ATOM 758 C LYS A 51 -9.268 8.566 -12.724 1.00 0.00 C ATOM 759 O LYS A 51 -10.352 9.149 -12.678 1.00 0.00 O ATOM 760 CB LYS A 51 -8.369 6.824 -14.277 1.00 0.00 C ATOM 761 CG LYS A 51 -8.383 6.417 -15.741 1.00 0.00 C ATOM 762 CD LYS A 51 -8.748 4.952 -15.909 1.00 0.00 C ATOM 763 CE LYS A 51 -10.253 4.761 -16.024 1.00 0.00 C ATOM 764 NZ LYS A 51 -10.738 5.003 -17.410 1.00 0.00 N ATOM 0 H LYS A 51 -6.504 8.481 -13.713 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.192 8.724 -14.854 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.420 6.522 -13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.154 6.282 -13.750 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.097 7.035 -16.285 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.403 6.601 -16.180 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.261 4.555 -16.799 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.372 4.383 -15.059 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.515 3.748 -15.719 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.759 5.441 -15.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.768 4.863 -17.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.511 5.978 -17.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.275 4.337 -18.061 1.00 0.00 H new ATOM 778 N LYS A 52 -8.644 8.115 -11.641 1.00 0.00 N ATOM 779 CA LYS A 52 -9.207 8.284 -10.307 1.00 0.00 C ATOM 780 C LYS A 52 -9.480 9.755 -10.013 1.00 0.00 C ATOM 781 O LYS A 52 -10.503 10.101 -9.423 1.00 0.00 O ATOM 782 CB LYS A 52 -8.257 7.710 -9.253 1.00 0.00 C ATOM 783 CG LYS A 52 -8.379 6.206 -9.079 1.00 0.00 C ATOM 784 CD LYS A 52 -7.535 5.709 -7.917 1.00 0.00 C ATOM 785 CE LYS A 52 -7.272 4.214 -8.018 1.00 0.00 C ATOM 786 NZ LYS A 52 -6.227 3.902 -9.033 1.00 0.00 N ATOM 0 H LYS A 52 -7.747 7.629 -11.661 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.152 7.743 -10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.231 7.953 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.453 8.195 -8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.423 5.942 -8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.067 5.706 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.587 6.246 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.043 5.927 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.959 3.834 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.197 3.699 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.979 2.893 -8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.591 4.118 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.380 4.477 -8.848 1.00 0.00 H new ATOM 800 N ALA A 53 -8.559 10.618 -10.430 1.00 0.00 N ATOM 801 CA ALA A 53 -8.702 12.052 -10.214 1.00 0.00 C ATOM 802 C ALA A 53 -10.058 12.548 -10.704 1.00 0.00 C ATOM 803 O ALA A 53 -10.850 13.083 -9.929 1.00 0.00 O ATOM 804 CB ALA A 53 -7.579 12.805 -10.912 1.00 0.00 C ATOM 0 H ALA A 53 -7.706 10.348 -10.919 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.641 12.241 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.698 13.875 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.619 12.479 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.614 12.601 -11.982 1.00 0.00 H new ATOM 810 N GLN A 54 -10.318 12.367 -11.995 1.00 0.00 N ATOM 811 CA GLN A 54 -11.579 12.798 -12.587 1.00 0.00 C ATOM 812 C GLN A 54 -12.764 12.159 -11.871 1.00 0.00 C ATOM 813 O GLN A 54 -13.816 12.781 -11.711 1.00 0.00 O ATOM 814 CB GLN A 54 -11.616 12.443 -14.075 1.00 0.00 C ATOM 815 CG GLN A 54 -10.767 13.360 -14.940 1.00 0.00 C ATOM 816 CD GLN A 54 -11.372 14.741 -15.096 1.00 0.00 C ATOM 817 OE1 GLN A 54 -12.446 15.025 -14.564 1.00 0.00 O ATOM 818 NE2 GLN A 54 -10.685 15.610 -15.829 1.00 0.00 N ATOM 0 H GLN A 54 -9.673 11.925 -12.650 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.652 13.880 -12.476 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.274 11.416 -14.204 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.648 12.481 -14.424 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.774 13.450 -14.501 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.640 12.910 -15.925 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.799 15.333 -16.252 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.043 16.555 -15.969 1.00 0.00 H new ATOM 827 N LEU A 55 -12.587 10.915 -11.440 1.00 0.00 N ATOM 828 CA LEU A 55 -13.643 10.190 -10.740 1.00 0.00 C ATOM 829 C LEU A 55 -14.010 10.890 -9.436 1.00 0.00 C ATOM 830 O LEU A 55 -15.188 11.107 -9.147 1.00 0.00 O ATOM 831 CB LEU A 55 -13.199 8.754 -10.454 1.00 0.00 C ATOM 832 CG LEU A 55 -13.041 7.846 -11.674 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.349 6.548 -11.286 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.396 7.562 -12.306 1.00 0.00 C ATOM 0 H LEU A 55 -11.723 10.387 -11.563 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.524 10.170 -11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.247 8.788 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.923 8.299 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.421 8.360 -12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.245 5.914 -12.166 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.362 6.769 -10.879 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.943 6.030 -10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.265 6.914 -13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.040 7.068 -11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.855 8.500 -12.620 1.00 0.00 H new ATOM 846 N ILE A 56 -12.996 11.243 -8.653 1.00 0.00 N ATOM 847 CA ILE A 56 -13.213 11.922 -7.382 1.00 0.00 C ATOM 848 C ILE A 56 -13.635 13.371 -7.597 1.00 0.00 C ATOM 849 O ILE A 56 -14.359 13.946 -6.784 1.00 0.00 O ATOM 850 CB ILE A 56 -11.948 11.892 -6.505 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.354 10.482 -6.474 1.00 0.00 C ATOM 852 CG2 ILE A 56 -12.268 12.368 -5.095 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.858 10.461 -6.255 1.00 0.00 C ATOM 0 H ILE A 56 -12.016 11.070 -8.877 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.013 11.386 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.210 12.568 -6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.837 9.910 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.582 9.980 -7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.363 12.341 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.649 13.389 -5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.021 11.716 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.506 9.429 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.365 11.004 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.623 10.934 -5.302 1.00 0.00 H new ATOM 865 N VAL A 57 -13.179 13.957 -8.699 1.00 0.00 N ATOM 866 CA VAL A 57 -13.511 15.339 -9.024 1.00 0.00 C ATOM 867 C VAL A 57 -14.956 15.461 -9.494 1.00 0.00 C ATOM 868 O VAL A 57 -15.775 16.120 -8.854 1.00 0.00 O ATOM 869 CB VAL A 57 -12.579 15.899 -10.115 1.00 0.00 C ATOM 870 CG1 VAL A 57 -13.134 17.199 -10.676 1.00 0.00 C ATOM 871 CG2 VAL A 57 -11.176 16.102 -9.564 1.00 0.00 C ATOM 0 H VAL A 57 -12.578 13.496 -9.382 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.379 15.919 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.524 15.175 -10.928 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.462 17.580 -11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.117 17.017 -11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -13.221 17.933 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.531 16.498 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.210 16.806 -8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.780 15.148 -9.216 1.00 0.00 H new ATOM 881 N GLY A 58 -15.264 14.820 -10.618 1.00 0.00 N ATOM 882 CA GLY A 58 -16.611 14.869 -11.155 1.00 0.00 C ATOM 883 C GLY A 58 -17.665 14.588 -10.103 1.00 0.00 C ATOM 884 O GLY A 58 -18.813 15.013 -10.235 1.00 0.00 O ATOM 0 H GLY A 58 -14.604 14.268 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.790 15.852 -11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.704 14.142 -11.961 1.00 0.00 H new ATOM 888 N TRP A 59 -17.277 13.868 -9.056 1.00 0.00 N ATOM 889 CA TRP A 59 -18.198 13.529 -7.978 1.00 0.00 C ATOM 890 C TRP A 59 -18.462 14.738 -7.087 1.00 0.00 C ATOM 891 O TRP A 59 -19.600 15.191 -6.962 1.00 0.00 O ATOM 892 CB TRP A 59 -17.635 12.377 -7.142 1.00 0.00 C ATOM 893 CG TRP A 59 -18.449 12.078 -5.919 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.524 12.829 -4.781 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.301 10.946 -5.713 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.371 12.232 -3.879 1.00 0.00 N ATOM 897 CE2 TRP A 59 -19.861 11.076 -4.427 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.646 9.837 -6.489 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.746 10.137 -3.903 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.524 8.906 -5.968 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.067 9.061 -4.685 1.00 0.00 C ATOM 0 H TRP A 59 -16.331 13.508 -8.931 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.142 13.217 -8.425 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.580 11.481 -7.761 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.616 12.620 -6.841 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -17.995 13.756 -4.615 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -19.598 12.591 -2.952 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.234 9.709 -7.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.164 10.254 -2.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.797 8.044 -6.559 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.752 8.317 -4.306 1.00 0.00 H new ATOM 912 N ARG A 60 -17.405 15.256 -6.471 1.00 0.00 N ATOM 913 CA ARG A 60 -17.524 16.412 -5.591 1.00 0.00 C ATOM 914 C ARG A 60 -18.101 17.609 -6.341 1.00 0.00 C ATOM 915 O ARG A 60 -18.980 18.305 -5.835 1.00 0.00 O ATOM 916 CB ARG A 60 -16.159 16.775 -5.003 1.00 0.00 C ATOM 917 CG ARG A 60 -15.099 17.061 -6.054 1.00 0.00 C ATOM 918 CD ARG A 60 -13.783 17.480 -5.418 1.00 0.00 C ATOM 919 NE ARG A 60 -12.864 18.059 -6.395 1.00 0.00 N ATOM 920 CZ ARG A 60 -12.994 19.285 -6.890 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.000 20.057 -6.502 1.00 0.00 N ATOM 922 NH2 ARG A 60 -12.117 19.741 -7.775 1.00 0.00 N ATOM 0 H ARG A 60 -16.456 14.893 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.204 16.151 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.270 17.651 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.818 15.958 -4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.942 16.172 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.449 17.849 -6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.977 18.205 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.315 16.615 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.080 17.491 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.676 19.710 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.097 20.998 -6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.342 19.150 -8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.218 20.682 -8.154 1.00 0.00 H new ATOM 936 N GLU A 61 -17.598 17.841 -7.550 1.00 0.00 N ATOM 937 CA GLU A 61 -18.063 18.955 -8.369 1.00 0.00 C ATOM 938 C GLU A 61 -19.573 19.136 -8.235 1.00 0.00 C ATOM 939 O GLU A 61 -20.078 20.259 -8.244 1.00 0.00 O ATOM 940 CB GLU A 61 -17.694 18.727 -9.836 1.00 0.00 C ATOM 941 CG GLU A 61 -16.301 19.216 -10.196 1.00 0.00 C ATOM 942 CD GLU A 61 -16.286 20.670 -10.628 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.729 21.529 -9.836 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.832 20.948 -11.757 1.00 0.00 O ATOM 0 H GLU A 61 -16.870 17.273 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.573 19.862 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.765 17.662 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.423 19.234 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.642 19.089 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.899 18.598 -10.999 1.00 0.00 H new ATOM 951 N LEU A 62 -20.287 18.022 -8.112 1.00 0.00 N ATOM 952 CA LEU A 62 -21.739 18.056 -7.977 1.00 0.00 C ATOM 953 C LEU A 62 -22.156 17.858 -6.523 1.00 0.00 C ATOM 954 O LEU A 62 -22.784 18.730 -5.922 1.00 0.00 O ATOM 955 CB LEU A 62 -22.378 16.977 -8.854 1.00 0.00 C ATOM 956 CG LEU A 62 -22.420 17.270 -10.354 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.356 15.977 -11.152 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.674 18.056 -10.709 1.00 0.00 C ATOM 0 H LEU A 62 -19.884 17.085 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.087 19.036 -8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.835 16.044 -8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.398 16.812 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.551 17.875 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.387 16.205 -12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.429 15.452 -10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.206 15.346 -10.891 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.687 18.256 -11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.556 17.476 -10.437 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.678 19.000 -10.164 1.00 0.00 H new ATOM 970 N HIS A 63 -21.799 16.706 -5.963 1.00 0.00 N ATOM 971 CA HIS A 63 -22.133 16.395 -4.577 1.00 0.00 C ATOM 972 C HIS A 63 -21.609 17.475 -3.636 1.00 0.00 C ATOM 973 O HIS A 63 -22.363 18.043 -2.847 1.00 0.00 O ATOM 974 CB HIS A 63 -21.555 15.035 -4.184 1.00 0.00 C ATOM 975 CG HIS A 63 -22.391 13.876 -4.634 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.184 13.143 -3.777 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.555 13.326 -5.860 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.799 12.191 -4.456 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.434 12.280 -5.722 1.00 0.00 N ATOM 0 H HIS A 63 -21.279 15.974 -6.447 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.219 16.359 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.556 14.938 -4.608 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.447 14.995 -3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -22.083 13.649 -6.776 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.484 11.464 -4.045 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.753 11.671 -6.475 1.00 0.00 H new ATOM 988 N GLY A 64 -20.312 17.753 -3.725 1.00 0.00 N ATOM 989 CA GLY A 64 -19.710 18.763 -2.875 1.00 0.00 C ATOM 990 C GLY A 64 -18.414 18.292 -2.244 1.00 0.00 C ATOM 991 O GLY A 64 -17.759 17.372 -2.733 1.00 0.00 O ATOM 0 H GLY A 64 -19.668 17.297 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.519 19.661 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.414 19.039 -2.090 1.00 0.00 H new ATOM 995 N PRO A 65 -18.026 18.934 -1.131 1.00 0.00 N ATOM 996 CA PRO A 65 -16.796 18.593 -0.410 1.00 0.00 C ATOM 997 C PRO A 65 -16.889 17.239 0.285 1.00 0.00 C ATOM 998 O PRO A 65 -17.975 16.679 0.435 1.00 0.00 O ATOM 999 CB PRO A 65 -16.668 19.716 0.623 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.062 20.200 0.831 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.758 20.040 -0.493 1.00 0.00 C ATOM 0 HA PRO A 65 -15.940 18.511 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.233 19.351 1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.021 20.515 0.261 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.564 19.623 1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.070 21.241 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.814 19.802 -0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.706 20.952 -1.087 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.742 16.717 0.709 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.694 15.428 1.388 1.00 0.00 C ATOM 1011 C PHE A 66 -15.405 15.607 2.876 1.00 0.00 C ATOM 1012 O PHE A 66 -14.317 16.036 3.260 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.626 14.533 0.754 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.863 14.258 -0.703 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -16.023 13.627 -1.123 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.927 14.631 -1.654 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -16.243 13.372 -2.463 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.142 14.379 -2.996 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.302 13.749 -3.401 1.00 0.00 C ATOM 0 H PHE A 66 -14.834 17.167 0.594 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.669 14.952 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.651 15.005 0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.590 13.586 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.764 13.331 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.018 15.125 -1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -17.151 12.878 -2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.404 14.674 -3.727 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.473 13.551 -4.449 1.00 0.00 H new ATOM 1029 N SER A 67 -16.387 15.276 3.707 1.00 0.00 N ATOM 1030 CA SER A 67 -16.241 15.404 5.152 1.00 0.00 C ATOM 1031 C SER A 67 -15.014 14.643 5.644 1.00 0.00 C ATOM 1032 O SER A 67 -14.536 14.867 6.756 1.00 0.00 O ATOM 1033 CB SER A 67 -17.494 14.886 5.861 1.00 0.00 C ATOM 1034 OG SER A 67 -18.622 15.687 5.554 1.00 0.00 O ATOM 0 H SER A 67 -17.293 14.917 3.405 1.00 0.00 H new ATOM 0 HA SER A 67 -16.110 16.460 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.684 13.855 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.330 14.881 6.939 1.00 0.00 H new ATOM 0 HG SER A 67 -19.410 15.334 6.018 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.509 13.742 4.807 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.338 12.947 5.157 1.00 0.00 C ATOM 1042 C GLN A 68 -12.820 12.179 3.945 1.00 0.00 C ATOM 1043 O GLN A 68 -13.359 12.299 2.844 1.00 0.00 O ATOM 1044 CB GLN A 68 -13.675 11.973 6.286 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.035 11.311 6.133 1.00 0.00 C ATOM 1046 CD GLN A 68 -15.569 10.766 7.443 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -15.103 11.138 8.520 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -16.553 9.878 7.358 1.00 0.00 N ATOM 0 H GLN A 68 -14.892 13.545 3.883 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.556 13.627 5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.907 11.201 6.330 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.645 12.507 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.743 12.034 5.729 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.960 10.499 5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.909 9.598 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.952 9.476 8.206 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.770 11.391 4.154 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.180 10.603 3.079 1.00 0.00 C ATOM 1059 C VAL A 69 -11.991 9.340 2.814 1.00 0.00 C ATOM 1060 O VAL A 69 -11.957 8.788 1.715 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.727 10.208 3.406 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.029 9.668 2.167 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -8.969 11.395 3.980 1.00 0.00 C ATOM 0 H VAL A 69 -11.311 11.282 5.058 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.187 11.229 2.187 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.744 9.419 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.004 9.394 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.561 8.789 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.021 10.434 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.945 11.098 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.960 12.207 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.458 11.732 4.894 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.720 8.887 3.830 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.540 7.688 3.705 1.00 0.00 C ATOM 1075 C GLU A 70 -14.652 7.893 2.681 1.00 0.00 C ATOM 1076 O GLU A 70 -15.201 6.931 2.143 1.00 0.00 O ATOM 1077 CB GLU A 70 -14.144 7.314 5.061 1.00 0.00 C ATOM 1078 CG GLU A 70 -13.203 6.514 5.946 1.00 0.00 C ATOM 1079 CD GLU A 70 -13.788 6.234 7.317 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -13.877 7.178 8.129 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -14.157 5.069 7.576 1.00 0.00 O ATOM 0 H GLU A 70 -12.759 9.332 4.747 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.900 6.875 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.434 8.225 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.054 6.737 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.965 5.569 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.266 7.059 6.059 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.979 9.153 2.415 1.00 0.00 N ATOM 1089 CA ASP A 71 -16.025 9.486 1.455 1.00 0.00 C ATOM 1090 C ASP A 71 -15.681 8.948 0.069 1.00 0.00 C ATOM 1091 O ASP A 71 -16.556 8.797 -0.784 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.226 11.001 1.392 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.080 11.519 2.533 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -18.318 11.559 2.377 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -16.509 11.886 3.582 1.00 0.00 O ATOM 0 H ASP A 71 -14.534 9.961 2.851 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.952 9.018 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.255 11.495 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.694 11.264 0.443 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.402 8.663 -0.148 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.941 8.143 -1.431 1.00 0.00 C ATOM 1102 C LEU A 72 -14.663 6.846 -1.784 1.00 0.00 C ATOM 1103 O LEU A 72 -15.097 6.656 -2.919 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.431 7.906 -1.395 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.555 9.160 -1.371 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -10.084 8.782 -1.299 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.827 10.024 -2.593 1.00 0.00 C ATOM 0 H LEU A 72 -13.666 8.783 0.547 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.168 8.884 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.198 7.308 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.156 7.311 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.804 9.737 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.476 9.687 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.900 8.205 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.819 8.183 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.195 10.911 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.606 9.456 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.875 10.325 -2.600 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.788 5.959 -0.802 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.459 4.681 -1.009 1.00 0.00 C ATOM 1121 C GLU A 73 -16.748 4.865 -1.805 1.00 0.00 C ATOM 1122 O GLU A 73 -17.138 3.996 -2.584 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.766 4.017 0.335 1.00 0.00 C ATOM 1124 CG GLU A 73 -17.108 4.423 0.921 1.00 0.00 C ATOM 1125 CD GLU A 73 -17.368 3.792 2.275 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -16.845 4.311 3.283 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -18.096 2.778 2.326 1.00 0.00 O ATOM 0 H GLU A 73 -14.434 6.102 0.144 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.790 4.037 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.746 2.934 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.978 4.270 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.145 5.508 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.903 4.137 0.232 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.404 6.003 -1.602 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.649 6.301 -2.298 1.00 0.00 C ATOM 1136 C ARG A 74 -18.387 6.627 -3.765 1.00 0.00 C ATOM 1137 O ARG A 74 -19.192 6.301 -4.638 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.367 7.473 -1.625 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.892 7.149 -0.236 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.717 8.294 0.329 1.00 0.00 C ATOM 1141 NE ARG A 74 -22.115 8.218 -0.083 1.00 0.00 N ATOM 1142 CZ ARG A 74 -22.962 7.295 0.357 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -22.555 6.375 1.221 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -24.220 7.291 -0.065 1.00 0.00 N ATOM 0 H ARG A 74 -17.094 6.733 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.284 5.417 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.681 8.318 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.199 7.788 -2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.501 6.246 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.055 6.939 0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.659 8.280 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.293 9.243 -0.000 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.460 8.912 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.589 6.375 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.208 5.667 1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.538 7.998 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.869 6.581 0.274 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.256 7.272 -4.030 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.887 7.642 -5.392 1.00 0.00 C ATOM 1160 C VAL A 75 -16.767 6.410 -6.282 1.00 0.00 C ATOM 1161 O VAL A 75 -15.995 5.496 -5.993 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.555 8.415 -5.422 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.170 8.759 -6.853 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.650 9.672 -4.570 1.00 0.00 C ATOM 0 H VAL A 75 -16.579 7.550 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.681 8.285 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.775 7.778 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.227 9.305 -6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.059 7.841 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.948 9.378 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.700 10.206 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.441 10.315 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.877 9.397 -3.540 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.536 6.393 -7.366 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.516 5.273 -8.299 1.00 0.00 C ATOM 1176 C GLU A 76 -16.090 4.963 -8.746 1.00 0.00 C ATOM 1177 O GLU A 76 -15.283 5.867 -8.954 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.389 5.579 -9.518 1.00 0.00 C ATOM 1179 CG GLU A 76 -19.860 5.762 -9.182 1.00 0.00 C ATOM 1180 CD GLU A 76 -20.667 6.276 -10.358 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -20.811 5.531 -11.350 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -21.155 7.423 -10.287 1.00 0.00 O ATOM 0 H GLU A 76 -18.180 7.142 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.916 4.399 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.020 6.484 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.288 4.768 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -20.274 4.810 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.955 6.458 -8.349 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.788 3.676 -8.892 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.460 3.269 -9.312 1.00 0.00 C ATOM 1191 C GLY A 77 -13.495 3.149 -8.150 1.00 0.00 C ATOM 1192 O GLY A 77 -12.644 2.260 -8.130 1.00 0.00 O ATOM 0 H GLY A 77 -16.439 2.909 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.523 2.311 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.072 3.992 -10.029 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.625 4.048 -7.180 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.757 4.039 -6.009 1.00 0.00 C ATOM 1198 C ILE A 78 -13.493 3.510 -4.783 1.00 0.00 C ATOM 1199 O ILE A 78 -13.955 4.280 -3.941 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.215 5.447 -5.700 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.568 6.053 -6.947 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.216 5.390 -4.553 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.282 7.534 -6.821 1.00 0.00 C ATOM 0 H ILE A 78 -14.323 4.792 -7.182 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.921 3.379 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.048 6.083 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.636 5.528 -7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.223 5.889 -7.802 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.842 6.393 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.706 4.995 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.384 4.742 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.824 7.896 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.214 8.071 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.602 7.703 -5.986 1.00 0.00 H new ATOM 1215 N THR A 79 -13.596 2.188 -4.687 1.00 0.00 N ATOM 1216 CA THR A 79 -14.275 1.554 -3.563 1.00 0.00 C ATOM 1217 C THR A 79 -13.587 1.891 -2.245 1.00 0.00 C ATOM 1218 O THR A 79 -12.596 2.619 -2.219 1.00 0.00 O ATOM 1219 CB THR A 79 -14.323 0.023 -3.728 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.881 -0.578 -2.554 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.932 -0.539 -3.979 1.00 0.00 C ATOM 0 H THR A 79 -13.218 1.536 -5.374 1.00 0.00 H new ATOM 0 HA THR A 79 -15.293 1.942 -3.548 1.00 0.00 H new ATOM 0 HB THR A 79 -14.951 -0.208 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.910 -1.551 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.992 -1.621 -4.092 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.521 -0.101 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.284 -0.298 -3.136 1.00 0.00 H new ATOM 1229 N GLY A 80 -14.120 1.355 -1.151 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.545 1.610 0.156 1.00 0.00 C ATOM 1231 C GLY A 80 -12.148 1.036 0.297 1.00 0.00 C ATOM 1232 O GLY A 80 -11.381 1.455 1.164 1.00 0.00 O ATOM 0 H GLY A 80 -14.940 0.749 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.512 2.685 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.190 1.181 0.923 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.817 0.074 -0.557 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.504 -0.560 -0.525 1.00 0.00 C ATOM 1238 C LYS A 81 -9.522 0.179 -1.429 1.00 0.00 C ATOM 1239 O LYS A 81 -8.411 0.507 -1.014 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.611 -2.024 -0.958 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.959 -2.970 0.178 1.00 0.00 C ATOM 1242 CD LYS A 81 -9.717 -3.418 0.930 1.00 0.00 C ATOM 1243 CE LYS A 81 -8.933 -4.457 0.143 1.00 0.00 C ATOM 1244 NZ LYS A 81 -9.472 -5.831 0.348 1.00 0.00 N ATOM 0 H LYS A 81 -12.440 -0.284 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.132 -0.517 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.369 -2.110 -1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.664 -2.334 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.644 -2.476 0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.479 -3.842 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.081 -2.556 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.005 -3.833 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.965 -4.209 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.886 -4.428 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.911 -6.510 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.419 -6.078 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.463 -5.865 0.035 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.940 0.437 -2.663 1.00 0.00 N ATOM 1259 CA GLN A 82 -9.096 1.138 -3.624 1.00 0.00 C ATOM 1260 C GLN A 82 -8.498 2.398 -3.007 1.00 0.00 C ATOM 1261 O GLN A 82 -7.391 2.806 -3.355 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.902 1.501 -4.873 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.964 0.384 -5.903 1.00 0.00 C ATOM 1264 CD GLN A 82 -10.185 0.901 -7.311 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -9.934 2.071 -7.602 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -10.656 0.029 -8.194 1.00 0.00 N ATOM 0 H GLN A 82 -10.857 0.172 -3.021 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.281 0.472 -3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.917 1.767 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.463 2.385 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.036 -0.187 -5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.769 -0.302 -5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.850 -0.931 -7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.824 0.319 -9.157 1.00 0.00 H new ATOM 1275 N MET A 83 -9.239 3.009 -2.088 1.00 0.00 N ATOM 1276 CA MET A 83 -8.780 4.223 -1.422 1.00 0.00 C ATOM 1277 C MET A 83 -7.778 3.892 -0.320 1.00 0.00 C ATOM 1278 O MET A 83 -6.791 4.603 -0.134 1.00 0.00 O ATOM 1279 CB MET A 83 -9.968 4.987 -0.834 1.00 0.00 C ATOM 1280 CG MET A 83 -10.761 4.186 0.186 1.00 0.00 C ATOM 1281 SD MET A 83 -10.130 4.379 1.864 1.00 0.00 S ATOM 1282 CE MET A 83 -10.248 6.154 2.068 1.00 0.00 C ATOM 0 H MET A 83 -10.158 2.684 -1.788 1.00 0.00 H new ATOM 0 HA MET A 83 -8.285 4.850 -2.163 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.605 5.901 -0.363 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.633 5.288 -1.644 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.805 4.499 0.156 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.737 3.131 -0.088 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.241 6.399 3.130 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.400 6.634 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.175 6.511 1.619 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.039 2.810 0.406 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.159 2.388 1.489 1.00 0.00 C ATOM 1294 C GLU A 84 -5.705 2.347 1.025 1.00 0.00 C ATOM 1295 O GLU A 84 -4.868 3.111 1.505 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.578 1.011 2.010 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.622 1.070 3.112 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.950 -0.298 3.679 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -8.008 -1.024 4.059 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -10.149 -0.642 3.742 1.00 0.00 O ATOM 0 H GLU A 84 -8.852 2.210 0.264 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.245 3.116 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.970 0.422 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.697 0.489 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.262 1.715 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.532 1.525 2.721 1.00 0.00 H new ATOM 1307 N SER A 85 -5.414 1.449 0.089 1.00 0.00 N ATOM 1308 CA SER A 85 -4.062 1.304 -0.437 1.00 0.00 C ATOM 1309 C SER A 85 -3.456 2.667 -0.758 1.00 0.00 C ATOM 1310 O SER A 85 -2.307 2.945 -0.414 1.00 0.00 O ATOM 1311 CB SER A 85 -4.071 0.429 -1.692 1.00 0.00 C ATOM 1312 OG SER A 85 -3.918 -0.940 -1.360 1.00 0.00 O ATOM 0 H SER A 85 -6.097 0.811 -0.320 1.00 0.00 H new ATOM 0 HA SER A 85 -3.451 0.824 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.006 0.573 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.266 0.737 -2.360 1.00 0.00 H new ATOM 0 HG SER A 85 -3.929 -1.478 -2.179 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.237 3.514 -1.420 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.778 4.848 -1.790 1.00 0.00 C ATOM 1320 C PHE A 86 -3.252 5.599 -0.570 1.00 0.00 C ATOM 1321 O PHE A 86 -2.087 5.999 -0.528 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.915 5.640 -2.439 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.792 7.125 -2.256 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.590 7.770 -2.500 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.878 7.877 -1.839 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.474 9.136 -2.331 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.768 9.245 -1.668 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.564 9.875 -1.916 1.00 0.00 C ATOM 0 H PHE A 86 -5.191 3.300 -1.711 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.965 4.740 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.942 5.414 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.864 5.308 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.734 7.198 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.822 7.389 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.531 9.626 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.622 9.820 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.475 10.943 -1.786 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.117 5.788 0.419 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.741 6.492 1.641 1.00 0.00 C ATOM 1340 C LEU A 87 -2.359 6.056 2.117 1.00 0.00 C ATOM 1341 O LEU A 87 -1.442 6.870 2.226 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.775 6.237 2.739 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.109 6.968 2.587 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.210 6.232 3.335 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -5.991 8.402 3.083 1.00 0.00 C ATOM 0 H LEU A 87 -5.084 5.464 0.400 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.710 7.559 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.973 5.166 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.336 6.519 3.696 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.370 6.991 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.152 6.767 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.312 5.224 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.956 6.177 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.950 8.907 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.706 8.401 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.232 8.927 2.502 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.216 4.765 2.398 1.00 0.00 N ATOM 1358 CA LYS A 88 -0.945 4.218 2.859 1.00 0.00 C ATOM 1359 C LYS A 88 0.225 4.869 2.128 1.00 0.00 C ATOM 1360 O LYS A 88 1.070 5.517 2.744 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.912 2.703 2.649 1.00 0.00 C ATOM 1362 CG LYS A 88 0.262 2.020 3.328 1.00 0.00 C ATOM 1363 CD LYS A 88 0.697 0.776 2.572 1.00 0.00 C ATOM 1364 CE LYS A 88 1.322 -0.252 3.503 1.00 0.00 C ATOM 1365 NZ LYS A 88 2.326 -1.099 2.801 1.00 0.00 N ATOM 0 H LYS A 88 -2.965 4.078 2.314 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.850 4.433 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.840 2.272 3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.875 2.494 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.098 2.716 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.013 1.750 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.163 0.336 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.414 1.051 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.799 0.258 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.540 -0.886 3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.729 -1.786 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.866 -1.606 2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.086 -0.497 2.424 1.00 0.00 H new ATOM 1379 N ALA A 89 0.265 4.693 0.811 1.00 0.00 N ATOM 1380 CA ALA A 89 1.329 5.266 -0.004 1.00 0.00 C ATOM 1381 C ALA A 89 1.766 6.623 0.539 1.00 0.00 C ATOM 1382 O ALA A 89 2.910 6.796 0.957 1.00 0.00 O ATOM 1383 CB ALA A 89 0.875 5.395 -1.450 1.00 0.00 C ATOM 0 H ALA A 89 -0.427 4.158 0.286 1.00 0.00 H new ATOM 0 HA ALA A 89 2.186 4.594 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.680 5.824 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.619 4.410 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.000 6.043 -1.500 1.00 0.00 H new ATOM 1389 N ASN A 90 0.847 7.583 0.528 1.00 0.00 N ATOM 1390 CA ASN A 90 1.138 8.925 1.018 1.00 0.00 C ATOM 1391 C ASN A 90 1.340 8.920 2.531 1.00 0.00 C ATOM 1392 O ASN A 90 2.423 9.237 3.023 1.00 0.00 O ATOM 1393 CB ASN A 90 0.004 9.883 0.647 1.00 0.00 C ATOM 1394 CG ASN A 90 -0.616 9.552 -0.696 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -1.360 8.580 -0.826 1.00 0.00 O ATOM 1396 ND2 ASN A 90 -0.312 10.361 -1.704 1.00 0.00 N ATOM 0 H ASN A 90 -0.105 7.456 0.185 1.00 0.00 H new ATOM 0 HA ASN A 90 2.060 9.265 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.765 9.847 1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.386 10.904 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.700 10.188 -2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.309 11.155 -1.551 1.00 0.00 H new ATOM 1403 N ILE A 91 0.290 8.558 3.261 1.00 0.00 N ATOM 1404 CA ILE A 91 0.353 8.510 4.716 1.00 0.00 C ATOM 1405 C ILE A 91 1.701 7.979 5.191 1.00 0.00 C ATOM 1406 O ILE A 91 2.483 8.702 5.811 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.768 7.630 5.299 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -2.113 8.354 5.212 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.453 7.258 6.741 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.278 7.525 5.704 1.00 0.00 C ATOM 0 H ILE A 91 -0.614 8.294 2.869 1.00 0.00 H new ATOM 0 HA ILE A 91 0.223 9.532 5.071 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.832 6.713 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.060 9.273 5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.295 8.643 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.254 6.636 7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.487 6.707 6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.365 8.165 7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.199 8.101 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.357 6.617 5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.119 7.258 6.749 1.00 0.00 H new ATOM 1422 N LEU A 92 1.968 6.712 4.896 1.00 0.00 N ATOM 1423 CA LEU A 92 3.224 6.082 5.291 1.00 0.00 C ATOM 1424 C LEU A 92 4.418 6.873 4.766 1.00 0.00 C ATOM 1425 O LEU A 92 5.395 7.089 5.482 1.00 0.00 O ATOM 1426 CB LEU A 92 3.282 4.645 4.771 1.00 0.00 C ATOM 1427 CG LEU A 92 2.407 3.629 5.507 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.898 2.213 5.247 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.389 3.923 7.000 1.00 0.00 C ATOM 0 H LEU A 92 1.332 6.100 4.385 1.00 0.00 H new ATOM 0 HA LEU A 92 3.269 6.070 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.994 4.648 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.316 4.305 4.817 1.00 0.00 H new ATOM 0 HG LEU A 92 1.389 3.714 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.263 1.504 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.858 2.005 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.925 2.114 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.762 3.190 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.404 3.867 7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.989 4.923 7.169 1.00 0.00 H new ATOM 1441 N GLY A 93 4.330 7.305 3.512 1.00 0.00 N ATOM 1442 CA GLY A 93 5.409 8.070 2.914 1.00 0.00 C ATOM 1443 C GLY A 93 5.767 9.300 3.724 1.00 0.00 C ATOM 1444 O GLY A 93 6.935 9.682 3.803 1.00 0.00 O ATOM 0 H GLY A 93 3.531 7.139 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.289 7.435 2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.121 8.373 1.907 1.00 0.00 H new ATOM 1448 N LEU A 94 4.760 9.923 4.326 1.00 0.00 N ATOM 1449 CA LEU A 94 4.973 11.119 5.134 1.00 0.00 C ATOM 1450 C LEU A 94 5.920 10.831 6.294 1.00 0.00 C ATOM 1451 O LEU A 94 6.892 11.555 6.510 1.00 0.00 O ATOM 1452 CB LEU A 94 3.639 11.643 5.667 1.00 0.00 C ATOM 1453 CG LEU A 94 2.700 12.263 4.633 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.249 12.069 5.045 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.010 13.742 4.449 1.00 0.00 C ATOM 0 H LEU A 94 3.788 9.620 4.270 1.00 0.00 H new ATOM 0 HA LEU A 94 5.427 11.880 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.117 10.820 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.845 12.389 6.434 1.00 0.00 H new ATOM 0 HG LEU A 94 2.857 11.758 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.595 12.517 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.033 11.004 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.078 12.547 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.332 14.167 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.882 14.261 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.038 13.858 4.107 1.00 0.00 H new ATOM 1467 N ALA A 95 5.631 9.767 7.037 1.00 0.00 N ATOM 1468 CA ALA A 95 6.459 9.380 8.172 1.00 0.00 C ATOM 1469 C ALA A 95 7.931 9.677 7.905 1.00 0.00 C ATOM 1470 O ALA A 95 8.670 10.064 8.810 1.00 0.00 O ATOM 1471 CB ALA A 95 6.265 7.905 8.489 1.00 0.00 C ATOM 0 H ALA A 95 4.829 9.158 6.873 1.00 0.00 H new ATOM 0 HA ALA A 95 6.147 9.969 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 95 6.890 7.630 9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.219 7.720 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.547 7.307 7.623 1.00 0.00 H new ATOM 1477 N ALA A 96 8.350 9.491 6.658 1.00 0.00 N ATOM 1478 CA ALA A 96 9.733 9.740 6.271 1.00 0.00 C ATOM 1479 C ALA A 96 10.054 11.231 6.309 1.00 0.00 C ATOM 1480 O ALA A 96 9.715 11.972 5.388 1.00 0.00 O ATOM 1481 CB ALA A 96 10.004 9.175 4.885 1.00 0.00 C ATOM 0 H ALA A 96 7.751 9.168 5.898 1.00 0.00 H new ATOM 0 HA ALA A 96 10.381 9.237 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.041 9.369 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.824 8.100 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.342 9.651 4.162 1.00 0.00 H new ATOM 1487 N GLY A 97 10.710 11.663 7.382 1.00 0.00 N ATOM 1488 CA GLY A 97 11.064 13.064 7.520 1.00 0.00 C ATOM 1489 C GLY A 97 10.011 13.858 8.268 1.00 0.00 C ATOM 1490 O GLY A 97 9.640 14.954 7.850 1.00 0.00 O ATOM 0 H GLY A 97 11.002 11.068 8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.016 13.145 8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.207 13.498 6.531 1.00 0.00 H new ATOM 1494 N GLN A 98 9.528 13.302 9.374 1.00 0.00 N ATOM 1495 CA GLN A 98 8.509 13.965 10.179 1.00 0.00 C ATOM 1496 C GLN A 98 9.088 14.435 11.510 1.00 0.00 C ATOM 1497 O GLN A 98 8.650 15.441 12.069 1.00 0.00 O ATOM 1498 CB GLN A 98 7.331 13.022 10.426 1.00 0.00 C ATOM 1499 CG GLN A 98 6.256 13.097 9.353 1.00 0.00 C ATOM 1500 CD GLN A 98 5.683 14.492 9.198 1.00 0.00 C ATOM 1501 OE1 GLN A 98 5.874 15.143 8.171 1.00 0.00 O ATOM 1502 NE2 GLN A 98 4.975 14.958 10.220 1.00 0.00 N ATOM 0 H GLN A 98 9.826 12.395 9.733 1.00 0.00 H new ATOM 0 HA GLN A 98 8.157 14.837 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.702 11.999 10.486 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.885 13.257 11.392 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.675 12.773 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.452 12.403 9.600 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.842 14.384 11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.564 15.890 10.173 1.00 0.00 H new TER 1511 GLN A 98