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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.119 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+ 156:sc= -0.0759 (180deg=-0.401) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.831 X(o=-0.83,f=-0.35) USER MOD Single : A 28 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0682 K(o=-0.068,f=-3.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -78:sc= 1.24 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= -0.0131 (180deg=-0.193) USER MOD Single : A 54 GLN : amide:sc=-0.00721 K(o=-0.0072,f=-2.2!) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -10.8! C(o=-13!,f=-11!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0518 X(o=-0.052,f=-0.4) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.46) USER MOD Single : A 83 MET CE :methyl 145:sc= -4.34! (180deg=-10.4!) USER MOD Single : A 85 SER OG : rot -26:sc= 0.66 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.995 K(o=-1,f=-4.5!) USER MOD Single : A 98 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.883 2.153 7.132 1.00 0.00 N ATOM 2 CA GLY A 1 13.929 1.292 6.613 1.00 0.00 C ATOM 3 C GLY A 1 13.601 -0.180 6.772 1.00 0.00 C ATOM 4 O GLY A 1 13.566 -0.698 7.888 1.00 0.00 O ATOM 0 H1 GLY A 1 13.155 3.148 7.000 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.995 1.966 6.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.748 1.963 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.087 1.514 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.864 1.510 7.129 1.00 0.00 H new ATOM 8 N SER A 2 13.358 -0.855 5.653 1.00 0.00 N ATOM 9 CA SER A 2 13.025 -2.274 5.674 1.00 0.00 C ATOM 10 C SER A 2 13.412 -2.942 4.358 1.00 0.00 C ATOM 11 O SER A 2 13.736 -2.270 3.379 1.00 0.00 O ATOM 12 CB SER A 2 11.530 -2.466 5.936 1.00 0.00 C ATOM 13 OG SER A 2 11.142 -1.847 7.150 1.00 0.00 O ATOM 0 H SER A 2 13.386 -0.442 4.721 1.00 0.00 H new ATOM 0 HA SER A 2 13.590 -2.742 6.480 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.956 -2.046 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.298 -3.530 5.976 1.00 0.00 H new ATOM 0 HG SER A 2 10.182 -1.982 7.294 1.00 0.00 H new ATOM 19 N SER A 3 13.376 -4.271 4.343 1.00 0.00 N ATOM 20 CA SER A 3 13.726 -5.032 3.149 1.00 0.00 C ATOM 21 C SER A 3 12.628 -4.925 2.095 1.00 0.00 C ATOM 22 O SER A 3 11.544 -4.410 2.363 1.00 0.00 O ATOM 23 CB SER A 3 13.965 -6.500 3.506 1.00 0.00 C ATOM 24 OG SER A 3 15.192 -6.664 4.196 1.00 0.00 O ATOM 0 H SER A 3 13.108 -4.843 5.144 1.00 0.00 H new ATOM 0 HA SER A 3 14.643 -4.612 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.145 -6.865 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.972 -7.102 2.597 1.00 0.00 H new ATOM 0 HG SER A 3 15.321 -7.611 4.414 1.00 0.00 H new ATOM 30 N GLY A 4 12.919 -5.417 0.895 1.00 0.00 N ATOM 31 CA GLY A 4 11.948 -5.368 -0.182 1.00 0.00 C ATOM 32 C GLY A 4 10.695 -6.163 0.130 1.00 0.00 C ATOM 33 O GLY A 4 10.752 -7.172 0.832 1.00 0.00 O ATOM 0 H GLY A 4 13.810 -5.849 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.677 -4.330 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.402 -5.755 -1.094 1.00 0.00 H new ATOM 37 N SER A 5 9.561 -5.707 -0.392 1.00 0.00 N ATOM 38 CA SER A 5 8.288 -6.379 -0.161 1.00 0.00 C ATOM 39 C SER A 5 8.150 -7.604 -1.060 1.00 0.00 C ATOM 40 O SER A 5 8.874 -7.750 -2.045 1.00 0.00 O ATOM 41 CB SER A 5 7.126 -5.416 -0.409 1.00 0.00 C ATOM 42 OG SER A 5 6.900 -5.236 -1.796 1.00 0.00 O ATOM 0 H SER A 5 9.498 -4.875 -0.978 1.00 0.00 H new ATOM 0 HA SER A 5 8.262 -6.708 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.222 -5.802 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.342 -4.454 0.055 1.00 0.00 H new ATOM 0 HG SER A 5 6.151 -4.618 -1.928 1.00 0.00 H new ATOM 48 N SER A 6 7.214 -8.482 -0.714 1.00 0.00 N ATOM 49 CA SER A 6 6.982 -9.697 -1.486 1.00 0.00 C ATOM 50 C SER A 6 5.490 -9.920 -1.712 1.00 0.00 C ATOM 51 O SER A 6 4.652 -9.272 -1.087 1.00 0.00 O ATOM 52 CB SER A 6 7.587 -10.906 -0.770 1.00 0.00 C ATOM 53 OG SER A 6 6.748 -11.347 0.283 1.00 0.00 O ATOM 0 H SER A 6 6.604 -8.374 0.096 1.00 0.00 H new ATOM 0 HA SER A 6 7.466 -9.579 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.738 -11.717 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.568 -10.644 -0.373 1.00 0.00 H new ATOM 0 HG SER A 6 7.156 -12.121 0.724 1.00 0.00 H new ATOM 59 N GLY A 7 5.165 -10.843 -2.613 1.00 0.00 N ATOM 60 CA GLY A 7 3.775 -11.136 -2.907 1.00 0.00 C ATOM 61 C GLY A 7 3.110 -11.948 -1.814 1.00 0.00 C ATOM 62 O GLY A 7 3.059 -13.176 -1.888 1.00 0.00 O ATOM 0 H GLY A 7 5.840 -11.393 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.231 -10.201 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.713 -11.681 -3.849 1.00 0.00 H new ATOM 66 N GLU A 8 2.600 -11.263 -0.796 1.00 0.00 N ATOM 67 CA GLU A 8 1.937 -11.930 0.319 1.00 0.00 C ATOM 68 C GLU A 8 0.581 -11.293 0.606 1.00 0.00 C ATOM 69 O GLU A 8 0.437 -10.070 0.575 1.00 0.00 O ATOM 70 CB GLU A 8 2.815 -11.874 1.570 1.00 0.00 C ATOM 71 CG GLU A 8 2.588 -13.034 2.525 1.00 0.00 C ATOM 72 CD GLU A 8 3.628 -13.095 3.628 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.804 -13.377 3.319 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.264 -12.859 4.799 1.00 0.00 O ATOM 0 H GLU A 8 2.633 -10.246 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 8 1.777 -12.972 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.862 -11.862 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.624 -10.939 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.597 -12.945 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.603 -13.969 1.965 1.00 0.00 H new ATOM 81 N LYS A 9 -0.412 -12.130 0.886 1.00 0.00 N ATOM 82 CA LYS A 9 -1.757 -11.651 1.180 1.00 0.00 C ATOM 83 C LYS A 9 -1.776 -10.840 2.472 1.00 0.00 C ATOM 84 O LYS A 9 -0.818 -10.864 3.245 1.00 0.00 O ATOM 85 CB LYS A 9 -2.728 -12.829 1.291 1.00 0.00 C ATOM 86 CG LYS A 9 -2.718 -13.741 0.077 1.00 0.00 C ATOM 87 CD LYS A 9 -3.752 -13.313 -0.951 1.00 0.00 C ATOM 88 CE LYS A 9 -3.157 -12.358 -1.975 1.00 0.00 C ATOM 89 NZ LYS A 9 -2.157 -13.033 -2.848 1.00 0.00 N ATOM 0 H LYS A 9 -0.310 -13.144 0.915 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.072 -11.004 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.477 -13.413 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.737 -12.445 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.727 -13.733 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.917 -14.766 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.148 -14.193 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.590 -12.832 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.955 -11.943 -2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.684 -11.522 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.077 -12.517 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.232 -13.044 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.462 -14.009 -3.035 1.00 0.00 H new ATOM 103 N ALA A 10 -2.872 -10.124 2.701 1.00 0.00 N ATOM 104 CA ALA A 10 -3.016 -9.309 3.901 1.00 0.00 C ATOM 105 C ALA A 10 -2.812 -10.145 5.160 1.00 0.00 C ATOM 106 O ALA A 10 -3.608 -11.034 5.461 1.00 0.00 O ATOM 107 CB ALA A 10 -4.383 -8.642 3.924 1.00 0.00 C ATOM 0 H ALA A 10 -3.673 -10.092 2.071 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.247 -8.537 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.477 -8.036 4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.492 -8.005 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.161 -9.406 3.917 1.00 0.00 H new ATOM 113 N GLU A 11 -1.740 -9.855 5.890 1.00 0.00 N ATOM 114 CA GLU A 11 -1.431 -10.582 7.116 1.00 0.00 C ATOM 115 C GLU A 11 -1.304 -9.626 8.298 1.00 0.00 C ATOM 116 O GLU A 11 -1.262 -10.051 9.453 1.00 0.00 O ATOM 117 CB GLU A 11 -0.136 -11.379 6.950 1.00 0.00 C ATOM 118 CG GLU A 11 1.092 -10.509 6.739 1.00 0.00 C ATOM 119 CD GLU A 11 1.282 -10.110 5.288 1.00 0.00 C ATOM 120 OE1 GLU A 11 1.955 -10.859 4.550 1.00 0.00 O ATOM 121 OE2 GLU A 11 0.757 -9.049 4.892 1.00 0.00 O ATOM 0 H GLU A 11 -1.071 -9.122 5.654 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.251 -11.272 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.015 -11.998 7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.242 -12.055 6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.006 -9.611 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.976 -11.045 7.083 1.00 0.00 H new ATOM 128 N ASP A 12 -1.244 -8.332 8.002 1.00 0.00 N ATOM 129 CA ASP A 12 -1.123 -7.315 9.039 1.00 0.00 C ATOM 130 C ASP A 12 -1.303 -5.917 8.454 1.00 0.00 C ATOM 131 O ASP A 12 -0.492 -5.463 7.646 1.00 0.00 O ATOM 132 CB ASP A 12 0.237 -7.420 9.731 1.00 0.00 C ATOM 133 CG ASP A 12 0.214 -8.369 10.913 1.00 0.00 C ATOM 134 OD1 ASP A 12 -0.873 -8.561 11.497 1.00 0.00 O ATOM 135 OD2 ASP A 12 1.282 -8.918 11.256 1.00 0.00 O ATOM 0 H ASP A 12 -1.277 -7.963 7.052 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.910 -7.486 9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.982 -7.759 9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.547 -6.431 10.069 1.00 0.00 H new ATOM 140 N CYS A 13 -2.370 -5.242 8.866 1.00 0.00 N ATOM 141 CA CYS A 13 -2.657 -3.897 8.381 1.00 0.00 C ATOM 142 C CYS A 13 -1.454 -2.979 8.577 1.00 0.00 C ATOM 143 O CYS A 13 -0.618 -3.214 9.449 1.00 0.00 O ATOM 144 CB CYS A 13 -3.875 -3.321 9.104 1.00 0.00 C ATOM 145 SG CYS A 13 -5.453 -4.021 8.565 1.00 0.00 S ATOM 0 H CYS A 13 -3.050 -5.604 9.534 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.872 -3.961 7.314 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.762 -3.490 10.175 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.898 -2.242 8.952 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.423 -3.473 9.235 1.00 0.00 H new ATOM 151 N TRP A 14 -1.373 -1.936 7.759 1.00 0.00 N ATOM 152 CA TRP A 14 -0.271 -0.985 7.841 1.00 0.00 C ATOM 153 C TRP A 14 -0.489 0.004 8.981 1.00 0.00 C ATOM 154 O TRP A 14 0.458 0.397 9.661 1.00 0.00 O ATOM 155 CB TRP A 14 -0.121 -0.231 6.518 1.00 0.00 C ATOM 156 CG TRP A 14 -1.369 0.485 6.098 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.349 0.010 5.274 1.00 0.00 C ATOM 158 CD2 TRP A 14 -1.768 1.806 6.479 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.334 0.956 5.121 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.002 2.066 5.851 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.205 2.793 7.292 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.678 3.272 6.010 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -1.878 3.990 7.449 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.104 4.221 6.812 1.00 0.00 C ATOM 0 H TRP A 14 -2.057 -1.728 7.032 1.00 0.00 H new ATOM 0 HA TRP A 14 0.644 -1.544 8.039 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.690 0.491 6.609 1.00 0.00 H new ATOM 0 HB3 TRP A 14 0.166 -0.935 5.737 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.350 -0.966 4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.176 0.849 4.555 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.261 2.624 7.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.622 3.453 5.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.451 4.761 8.074 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.606 5.166 6.957 1.00 0.00 H new ATOM 175 N GLU A 15 -1.741 0.400 9.183 1.00 0.00 N ATOM 176 CA GLU A 15 -2.081 1.344 10.242 1.00 0.00 C ATOM 177 C GLU A 15 -1.586 0.844 11.596 1.00 0.00 C ATOM 178 O GLU A 15 -1.221 1.635 12.467 1.00 0.00 O ATOM 179 CB GLU A 15 -3.594 1.566 10.291 1.00 0.00 C ATOM 180 CG GLU A 15 -4.176 2.083 8.986 1.00 0.00 C ATOM 181 CD GLU A 15 -5.653 1.770 8.841 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.093 0.728 9.368 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.368 2.569 8.200 1.00 0.00 O ATOM 0 H GLU A 15 -2.536 0.083 8.629 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.589 2.291 10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.082 0.627 10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.823 2.274 11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.030 3.162 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.632 1.643 8.150 1.00 0.00 H new ATOM 190 N LEU A 16 -1.576 -0.473 11.766 1.00 0.00 N ATOM 191 CA LEU A 16 -1.126 -1.080 13.014 1.00 0.00 C ATOM 192 C LEU A 16 0.328 -0.721 13.301 1.00 0.00 C ATOM 193 O LEU A 16 0.725 -0.579 14.457 1.00 0.00 O ATOM 194 CB LEU A 16 -1.284 -2.601 12.951 1.00 0.00 C ATOM 195 CG LEU A 16 -2.704 -3.119 12.720 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.684 -4.604 12.396 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.575 -2.848 13.938 1.00 0.00 C ATOM 0 H LEU A 16 -1.874 -1.141 11.056 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.744 -0.689 13.822 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.646 -2.980 12.152 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.912 -3.024 13.884 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.130 -2.588 11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.703 -4.955 12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.096 -4.772 11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.239 -5.152 13.227 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.582 -3.223 13.756 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.152 -3.351 14.807 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.616 -1.775 14.125 1.00 0.00 H new ATOM 209 N GLN A 17 1.116 -0.573 12.241 1.00 0.00 N ATOM 210 CA GLN A 17 2.526 -0.228 12.380 1.00 0.00 C ATOM 211 C GLN A 17 2.706 1.280 12.529 1.00 0.00 C ATOM 212 O GLN A 17 3.567 1.741 13.278 1.00 0.00 O ATOM 213 CB GLN A 17 3.318 -0.731 11.172 1.00 0.00 C ATOM 214 CG GLN A 17 3.177 -2.225 10.932 1.00 0.00 C ATOM 215 CD GLN A 17 4.295 -2.786 10.076 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.526 -2.328 8.957 1.00 0.00 O ATOM 217 NE2 GLN A 17 4.998 -3.785 10.599 1.00 0.00 N ATOM 0 H GLN A 17 0.802 -0.687 11.277 1.00 0.00 H new ATOM 0 HA GLN A 17 2.905 -0.711 13.281 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.987 -0.196 10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.372 -0.492 11.314 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.163 -2.744 11.891 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.220 -2.423 10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.773 -4.134 11.530 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.763 -4.203 10.069 1.00 0.00 H new ATOM 226 N ILE A 18 1.887 2.041 11.811 1.00 0.00 N ATOM 227 CA ILE A 18 1.956 3.496 11.864 1.00 0.00 C ATOM 228 C ILE A 18 1.280 4.033 13.121 1.00 0.00 C ATOM 229 O ILE A 18 0.166 3.633 13.458 1.00 0.00 O ATOM 230 CB ILE A 18 1.298 4.137 10.627 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.936 5.494 10.327 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.201 4.286 10.843 1.00 0.00 C ATOM 233 CD1 ILE A 18 1.283 6.229 9.178 1.00 0.00 C ATOM 0 H ILE A 18 1.169 1.675 11.186 1.00 0.00 H new ATOM 0 HA ILE A 18 3.013 3.761 11.881 1.00 0.00 H new ATOM 0 HB ILE A 18 1.459 3.484 9.769 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.885 6.116 11.221 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.992 5.347 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.652 4.740 9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.644 3.304 11.012 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.382 4.920 11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.787 7.183 9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.357 5.627 8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.233 6.407 9.410 1.00 0.00 H new ATOM 245 N SER A 19 1.961 4.943 13.810 1.00 0.00 N ATOM 246 CA SER A 19 1.428 5.534 15.031 1.00 0.00 C ATOM 247 C SER A 19 0.004 6.038 14.814 1.00 0.00 C ATOM 248 O SER A 19 -0.441 6.252 13.686 1.00 0.00 O ATOM 249 CB SER A 19 2.322 6.684 15.500 1.00 0.00 C ATOM 250 OG SER A 19 3.335 6.218 16.374 1.00 0.00 O ATOM 0 H SER A 19 2.883 5.287 13.543 1.00 0.00 H new ATOM 0 HA SER A 19 1.409 4.762 15.800 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.777 7.170 14.637 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.717 7.436 16.007 1.00 0.00 H new ATOM 0 HG SER A 19 3.894 6.971 16.658 1.00 0.00 H new ATOM 256 N PRO A 20 -0.729 6.233 15.920 1.00 0.00 N ATOM 257 CA PRO A 20 -2.113 6.714 15.878 1.00 0.00 C ATOM 258 C PRO A 20 -2.207 8.172 15.441 1.00 0.00 C ATOM 259 O PRO A 20 -3.183 8.579 14.813 1.00 0.00 O ATOM 260 CB PRO A 20 -2.587 6.558 17.325 1.00 0.00 C ATOM 261 CG PRO A 20 -1.342 6.620 18.141 1.00 0.00 C ATOM 262 CD PRO A 20 -0.263 5.998 17.298 1.00 0.00 C ATOM 0 HA PRO A 20 -2.715 6.162 15.156 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.281 7.351 17.602 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.109 5.612 17.471 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.093 7.650 18.396 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.464 6.080 19.080 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.706 6.462 17.479 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.151 4.934 17.509 1.00 0.00 H new ATOM 270 N GLU A 21 -1.185 8.953 15.778 1.00 0.00 N ATOM 271 CA GLU A 21 -1.154 10.366 15.420 1.00 0.00 C ATOM 272 C GLU A 21 -0.798 10.546 13.947 1.00 0.00 C ATOM 273 O GLU A 21 -1.071 11.590 13.354 1.00 0.00 O ATOM 274 CB GLU A 21 -0.146 11.115 16.295 1.00 0.00 C ATOM 275 CG GLU A 21 -0.495 11.100 17.774 1.00 0.00 C ATOM 276 CD GLU A 21 0.005 12.331 18.504 1.00 0.00 C ATOM 277 OE1 GLU A 21 1.236 12.534 18.550 1.00 0.00 O ATOM 278 OE2 GLU A 21 -0.835 13.091 19.028 1.00 0.00 O ATOM 0 H GLU A 21 -0.369 8.631 16.298 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.148 10.779 15.589 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.841 10.672 16.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.081 12.149 15.956 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.577 11.029 17.887 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.067 10.210 18.235 1.00 0.00 H new ATOM 285 N LEU A 22 -0.185 9.522 13.363 1.00 0.00 N ATOM 286 CA LEU A 22 0.210 9.566 11.960 1.00 0.00 C ATOM 287 C LEU A 22 -0.985 9.301 11.049 1.00 0.00 C ATOM 288 O LEU A 22 -1.044 9.798 9.924 1.00 0.00 O ATOM 289 CB LEU A 22 1.311 8.540 11.687 1.00 0.00 C ATOM 290 CG LEU A 22 2.744 9.009 11.939 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.287 9.744 10.723 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.804 9.899 13.172 1.00 0.00 C ATOM 0 H LEU A 22 0.049 8.651 13.840 1.00 0.00 H new ATOM 0 HA LEU A 22 0.592 10.565 11.747 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.123 7.662 12.306 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.232 8.220 10.648 1.00 0.00 H new ATOM 0 HG LEU A 22 3.367 8.132 12.116 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.308 10.070 10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.280 9.077 9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.663 10.613 10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.831 10.224 13.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.167 10.771 13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.456 9.341 14.041 1.00 0.00 H new ATOM 304 N LEU A 23 -1.937 8.517 11.544 1.00 0.00 N ATOM 305 CA LEU A 23 -3.132 8.188 10.776 1.00 0.00 C ATOM 306 C LEU A 23 -4.015 9.418 10.587 1.00 0.00 C ATOM 307 O LEU A 23 -4.323 9.807 9.461 1.00 0.00 O ATOM 308 CB LEU A 23 -3.923 7.081 11.475 1.00 0.00 C ATOM 309 CG LEU A 23 -5.277 6.730 10.857 1.00 0.00 C ATOM 310 CD1 LEU A 23 -5.089 6.049 9.511 1.00 0.00 C ATOM 311 CD2 LEU A 23 -6.079 5.843 11.798 1.00 0.00 C ATOM 0 H LEU A 23 -1.904 8.098 12.473 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.816 7.836 9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.310 6.180 11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.085 7.377 12.511 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.833 7.654 10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.063 5.807 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.555 6.718 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.513 5.133 9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.039 5.603 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.528 4.922 11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.245 6.367 12.739 1.00 0.00 H new ATOM 323 N ALA A 24 -4.416 10.027 11.698 1.00 0.00 N ATOM 324 CA ALA A 24 -5.259 11.215 11.656 1.00 0.00 C ATOM 325 C ALA A 24 -4.590 12.335 10.866 1.00 0.00 C ATOM 326 O ALA A 24 -5.199 12.930 9.976 1.00 0.00 O ATOM 327 CB ALA A 24 -5.583 11.683 13.067 1.00 0.00 C ATOM 0 H ALA A 24 -4.170 9.717 12.638 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.188 10.953 11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.213 12.571 13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.110 10.892 13.601 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.658 11.922 13.592 1.00 0.00 H new ATOM 333 N HIS A 25 -3.334 12.618 11.197 1.00 0.00 N ATOM 334 CA HIS A 25 -2.583 13.667 10.518 1.00 0.00 C ATOM 335 C HIS A 25 -2.606 13.461 9.006 1.00 0.00 C ATOM 336 O HIS A 25 -3.124 14.295 8.264 1.00 0.00 O ATOM 337 CB HIS A 25 -1.138 13.694 11.018 1.00 0.00 C ATOM 338 CG HIS A 25 -0.257 14.635 10.255 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.667 15.888 9.850 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.019 14.501 9.824 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.318 16.483 9.202 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.353 15.663 9.173 1.00 0.00 N ATOM 0 H HIS A 25 -2.815 12.136 11.931 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.056 14.622 10.744 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.132 13.977 12.071 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.722 12.689 10.955 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.656 13.640 9.966 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.283 17.472 8.769 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.254 15.861 8.738 1.00 0.00 H new ATOM 351 N GLY A 26 -2.041 12.344 8.557 1.00 0.00 N ATOM 352 CA GLY A 26 -2.008 12.050 7.136 1.00 0.00 C ATOM 353 C GLY A 26 -3.371 12.176 6.486 1.00 0.00 C ATOM 354 O GLY A 26 -3.554 12.967 5.560 1.00 0.00 O ATOM 0 H GLY A 26 -1.606 11.638 9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.310 12.728 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.630 11.039 6.986 1.00 0.00 H new ATOM 358 N ARG A 27 -4.330 11.393 6.969 1.00 0.00 N ATOM 359 CA ARG A 27 -5.683 11.418 6.426 1.00 0.00 C ATOM 360 C ARG A 27 -6.109 12.845 6.095 1.00 0.00 C ATOM 361 O ARG A 27 -6.453 13.152 4.954 1.00 0.00 O ATOM 362 CB ARG A 27 -6.666 10.798 7.420 1.00 0.00 C ATOM 363 CG ARG A 27 -6.623 9.279 7.452 1.00 0.00 C ATOM 364 CD ARG A 27 -7.697 8.711 8.366 1.00 0.00 C ATOM 365 NE ARG A 27 -8.122 7.377 7.949 1.00 0.00 N ATOM 366 CZ ARG A 27 -9.210 6.773 8.414 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.978 7.380 9.308 1.00 0.00 N ATOM 368 NH2 ARG A 27 -9.530 5.559 7.986 1.00 0.00 N ATOM 0 H ARG A 27 -4.195 10.733 7.735 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.690 10.833 5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.450 11.180 8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.676 11.119 7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.758 8.889 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.642 8.949 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.318 8.668 9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.558 9.380 8.373 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.552 6.882 7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.734 8.313 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.813 6.914 9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.941 5.088 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.366 5.096 8.344 1.00 0.00 H new ATOM 382 N GLN A 28 -6.085 13.713 7.102 1.00 0.00 N ATOM 383 CA GLN A 28 -6.470 15.107 6.918 1.00 0.00 C ATOM 384 C GLN A 28 -5.679 15.745 5.781 1.00 0.00 C ATOM 385 O GLN A 28 -6.252 16.343 4.870 1.00 0.00 O ATOM 386 CB GLN A 28 -6.251 15.894 8.211 1.00 0.00 C ATOM 387 CG GLN A 28 -6.938 17.250 8.223 1.00 0.00 C ATOM 388 CD GLN A 28 -8.369 17.175 8.719 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.617 17.064 9.920 1.00 0.00 O ATOM 390 NE2 GLN A 28 -9.320 17.235 7.794 1.00 0.00 N ATOM 0 H GLN A 28 -5.803 13.475 8.053 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.529 15.134 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.616 15.304 9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.181 16.037 8.362 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.373 17.934 8.857 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.928 17.667 7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.069 17.327 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.301 17.189 8.068 1.00 0.00 H new ATOM 399 N LYS A 29 -4.358 15.614 5.839 1.00 0.00 N ATOM 400 CA LYS A 29 -3.486 16.176 4.815 1.00 0.00 C ATOM 401 C LYS A 29 -3.935 15.744 3.422 1.00 0.00 C ATOM 402 O LYS A 29 -3.889 16.529 2.474 1.00 0.00 O ATOM 403 CB LYS A 29 -2.038 15.742 5.053 1.00 0.00 C ATOM 404 CG LYS A 29 -1.293 16.626 6.037 1.00 0.00 C ATOM 405 CD LYS A 29 0.197 16.658 5.740 1.00 0.00 C ATOM 406 CE LYS A 29 0.546 17.769 4.761 1.00 0.00 C ATOM 407 NZ LYS A 29 2.016 17.875 4.544 1.00 0.00 N ATOM 0 H LYS A 29 -3.867 15.122 6.586 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.547 17.262 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.031 14.716 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.506 15.743 4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.695 17.638 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.455 16.260 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.751 16.802 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.508 15.698 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.051 17.582 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.165 18.718 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.213 18.643 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.487 18.078 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.376 16.978 4.160 1.00 0.00 H new ATOM 421 N ILE A 30 -4.369 14.494 3.307 1.00 0.00 N ATOM 422 CA ILE A 30 -4.828 13.960 2.030 1.00 0.00 C ATOM 423 C ILE A 30 -6.179 14.551 1.641 1.00 0.00 C ATOM 424 O ILE A 30 -6.424 14.853 0.472 1.00 0.00 O ATOM 425 CB ILE A 30 -4.945 12.425 2.071 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.572 11.793 2.306 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.560 11.906 0.780 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.639 10.392 2.872 1.00 0.00 C ATOM 0 H ILE A 30 -4.413 13.832 4.082 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.083 14.240 1.285 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.598 12.147 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.026 11.769 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.003 12.425 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.636 10.820 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.554 12.334 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.931 12.192 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.629 10.008 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.156 10.411 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.180 9.746 2.181 1.00 0.00 H new ATOM 440 N LEU A 31 -7.053 14.717 2.628 1.00 0.00 N ATOM 441 CA LEU A 31 -8.380 15.274 2.390 1.00 0.00 C ATOM 442 C LEU A 31 -8.283 16.657 1.754 1.00 0.00 C ATOM 443 O LEU A 31 -8.964 16.948 0.771 1.00 0.00 O ATOM 444 CB LEU A 31 -9.162 15.358 3.702 1.00 0.00 C ATOM 445 CG LEU A 31 -10.600 15.866 3.595 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.483 14.830 2.917 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.146 16.216 4.971 1.00 0.00 C ATOM 0 H LEU A 31 -6.866 14.474 3.601 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.907 14.613 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.181 14.367 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.617 16.010 4.385 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.601 16.770 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.503 15.209 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.104 14.628 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.476 13.909 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.170 16.576 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.131 15.329 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.529 16.994 5.420 1.00 0.00 H new ATOM 459 N ASP A 32 -7.431 17.505 2.320 1.00 0.00 N ATOM 460 CA ASP A 32 -7.242 18.856 1.806 1.00 0.00 C ATOM 461 C ASP A 32 -6.894 18.829 0.321 1.00 0.00 C ATOM 462 O ASP A 32 -7.220 19.757 -0.421 1.00 0.00 O ATOM 463 CB ASP A 32 -6.140 19.573 2.588 1.00 0.00 C ATOM 464 CG ASP A 32 -5.893 20.981 2.082 1.00 0.00 C ATOM 465 OD1 ASP A 32 -5.473 21.127 0.915 1.00 0.00 O ATOM 466 OD2 ASP A 32 -6.120 21.936 2.853 1.00 0.00 O ATOM 0 H ASP A 32 -6.860 17.280 3.135 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.178 19.400 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.413 19.612 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.217 18.998 2.519 1.00 0.00 H new ATOM 471 N LEU A 33 -6.230 17.762 -0.107 1.00 0.00 N ATOM 472 CA LEU A 33 -5.836 17.614 -1.504 1.00 0.00 C ATOM 473 C LEU A 33 -7.019 17.172 -2.359 1.00 0.00 C ATOM 474 O LEU A 33 -7.098 17.497 -3.544 1.00 0.00 O ATOM 475 CB LEU A 33 -4.696 16.602 -1.628 1.00 0.00 C ATOM 476 CG LEU A 33 -4.097 16.434 -3.025 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.442 17.727 -3.485 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.093 15.291 -3.042 1.00 0.00 C ATOM 0 H LEU A 33 -5.953 16.985 0.493 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.493 18.584 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.899 16.897 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.060 15.631 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.904 16.193 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.022 17.588 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.187 18.522 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.647 17.999 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.677 15.187 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.290 15.502 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.592 14.364 -2.758 1.00 0.00 H new ATOM 490 N LEU A 34 -7.938 16.431 -1.750 1.00 0.00 N ATOM 491 CA LEU A 34 -9.120 15.946 -2.455 1.00 0.00 C ATOM 492 C LEU A 34 -10.177 17.039 -2.562 1.00 0.00 C ATOM 493 O LEU A 34 -11.087 16.958 -3.386 1.00 0.00 O ATOM 494 CB LEU A 34 -9.702 14.727 -1.737 1.00 0.00 C ATOM 495 CG LEU A 34 -8.759 13.535 -1.566 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.397 12.471 -0.687 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.383 12.954 -2.921 1.00 0.00 C ATOM 0 H LEU A 34 -7.888 16.153 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.819 15.658 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.042 15.040 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.582 14.393 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.849 13.884 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.711 11.631 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.615 12.892 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.323 12.126 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.712 12.107 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.284 12.621 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.884 13.717 -3.518 1.00 0.00 H new ATOM 509 N ASN A 35 -10.050 18.063 -1.724 1.00 0.00 N ATOM 510 CA ASN A 35 -10.994 19.175 -1.726 1.00 0.00 C ATOM 511 C ASN A 35 -10.358 20.428 -2.321 1.00 0.00 C ATOM 512 O ASN A 35 -10.895 21.024 -3.254 1.00 0.00 O ATOM 513 CB ASN A 35 -11.478 19.462 -0.303 1.00 0.00 C ATOM 514 CG ASN A 35 -12.608 18.543 0.120 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.502 18.236 -0.670 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.573 18.100 1.371 1.00 0.00 N ATOM 0 H ASN A 35 -9.303 18.146 -1.035 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.847 18.894 -2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.644 19.351 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.812 20.498 -0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.306 17.479 1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.813 18.381 1.990 1.00 0.00 H new ATOM 523 N GLU A 36 -9.211 20.819 -1.775 1.00 0.00 N ATOM 524 CA GLU A 36 -8.502 22.001 -2.252 1.00 0.00 C ATOM 525 C GLU A 36 -7.545 21.641 -3.385 1.00 0.00 C ATOM 526 O GLU A 36 -6.655 22.417 -3.731 1.00 0.00 O ATOM 527 CB GLU A 36 -7.729 22.657 -1.106 1.00 0.00 C ATOM 528 CG GLU A 36 -8.598 23.014 0.088 1.00 0.00 C ATOM 529 CD GLU A 36 -8.059 24.196 0.870 1.00 0.00 C ATOM 530 OE1 GLU A 36 -8.315 25.346 0.455 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.382 23.972 1.894 1.00 0.00 O ATOM 0 H GLU A 36 -8.753 20.335 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.240 22.707 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.937 21.982 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.245 23.561 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.607 23.241 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.674 22.150 0.749 1.00 0.00 H new ATOM 538 N GLY A 37 -7.736 20.457 -3.959 1.00 0.00 N ATOM 539 CA GLY A 37 -6.882 20.013 -5.046 1.00 0.00 C ATOM 540 C GLY A 37 -7.673 19.580 -6.264 1.00 0.00 C ATOM 541 O GLY A 37 -8.708 18.925 -6.140 1.00 0.00 O ATOM 0 H GLY A 37 -8.466 19.797 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.204 20.820 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.265 19.183 -4.703 1.00 0.00 H new ATOM 545 N SER A 38 -7.187 19.948 -7.445 1.00 0.00 N ATOM 546 CA SER A 38 -7.858 19.598 -8.691 1.00 0.00 C ATOM 547 C SER A 38 -7.396 18.233 -9.193 1.00 0.00 C ATOM 548 O SER A 38 -6.617 17.547 -8.531 1.00 0.00 O ATOM 549 CB SER A 38 -7.590 20.662 -9.757 1.00 0.00 C ATOM 550 OG SER A 38 -7.897 21.958 -9.272 1.00 0.00 O ATOM 0 H SER A 38 -6.331 20.489 -7.565 1.00 0.00 H new ATOM 0 HA SER A 38 -8.929 19.551 -8.496 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.544 20.622 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.187 20.451 -10.644 1.00 0.00 H new ATOM 0 HG SER A 38 -7.716 22.620 -9.971 1.00 0.00 H new ATOM 556 N ALA A 39 -7.882 17.845 -10.367 1.00 0.00 N ATOM 557 CA ALA A 39 -7.519 16.563 -10.959 1.00 0.00 C ATOM 558 C ALA A 39 -6.004 16.411 -11.051 1.00 0.00 C ATOM 559 O ALA A 39 -5.409 15.594 -10.349 1.00 0.00 O ATOM 560 CB ALA A 39 -8.150 16.420 -12.336 1.00 0.00 C ATOM 0 H ALA A 39 -8.528 18.400 -10.928 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.899 15.771 -10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.871 15.458 -12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.235 16.476 -12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.797 17.223 -12.983 1.00 0.00 H new ATOM 566 N ARG A 40 -5.386 17.203 -11.921 1.00 0.00 N ATOM 567 CA ARG A 40 -3.941 17.155 -12.106 1.00 0.00 C ATOM 568 C ARG A 40 -3.221 17.141 -10.760 1.00 0.00 C ATOM 569 O ARG A 40 -2.294 16.359 -10.549 1.00 0.00 O ATOM 570 CB ARG A 40 -3.471 18.351 -12.936 1.00 0.00 C ATOM 571 CG ARG A 40 -1.999 18.291 -13.311 1.00 0.00 C ATOM 572 CD ARG A 40 -1.122 18.892 -12.224 1.00 0.00 C ATOM 573 NE ARG A 40 0.278 18.968 -12.630 1.00 0.00 N ATOM 574 CZ ARG A 40 1.113 17.936 -12.589 1.00 0.00 C ATOM 575 NH1 ARG A 40 0.689 16.754 -12.162 1.00 0.00 N ATOM 576 NH2 ARG A 40 2.373 18.084 -12.976 1.00 0.00 N ATOM 0 H ARG A 40 -5.864 17.886 -12.509 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.698 16.235 -12.638 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.067 18.407 -13.847 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.658 19.267 -12.376 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.708 17.255 -13.483 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.839 18.826 -14.247 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.483 19.891 -11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.205 18.291 -11.318 1.00 0.00 H new ATOM 0 HE ARG A 40 0.635 19.863 -12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.280 16.637 -11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.332 15.962 -12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.702 18.991 -13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.013 17.290 -12.944 1.00 0.00 H new ATOM 590 N ASP A 41 -3.653 18.013 -9.856 1.00 0.00 N ATOM 591 CA ASP A 41 -3.051 18.101 -8.531 1.00 0.00 C ATOM 592 C ASP A 41 -3.000 16.730 -7.864 1.00 0.00 C ATOM 593 O ASP A 41 -2.029 16.395 -7.183 1.00 0.00 O ATOM 594 CB ASP A 41 -3.836 19.079 -7.654 1.00 0.00 C ATOM 595 CG ASP A 41 -3.407 20.517 -7.864 1.00 0.00 C ATOM 596 OD1 ASP A 41 -3.025 20.863 -9.002 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.454 21.298 -6.891 1.00 0.00 O ATOM 0 H ASP A 41 -4.418 18.669 -10.016 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.031 18.467 -8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.900 18.985 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.701 18.812 -6.606 1.00 0.00 H new ATOM 602 N LEU A 42 -4.050 15.941 -8.064 1.00 0.00 N ATOM 603 CA LEU A 42 -4.125 14.606 -7.482 1.00 0.00 C ATOM 604 C LEU A 42 -3.230 13.630 -8.239 1.00 0.00 C ATOM 605 O LEU A 42 -2.635 12.730 -7.647 1.00 0.00 O ATOM 606 CB LEU A 42 -5.570 14.104 -7.493 1.00 0.00 C ATOM 607 CG LEU A 42 -6.588 14.972 -6.753 1.00 0.00 C ATOM 608 CD1 LEU A 42 -7.989 14.728 -7.290 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.533 14.700 -5.257 1.00 0.00 C ATOM 0 H LEU A 42 -4.861 16.203 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.775 14.666 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.892 14.006 -8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.590 13.105 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.335 16.019 -6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.700 15.355 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.020 14.975 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.254 13.679 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.264 15.327 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.760 13.651 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.535 14.928 -4.882 1.00 0.00 H new ATOM 621 N ARG A 43 -3.138 13.817 -9.552 1.00 0.00 N ATOM 622 CA ARG A 43 -2.314 12.954 -10.390 1.00 0.00 C ATOM 623 C ARG A 43 -0.881 12.898 -9.870 1.00 0.00 C ATOM 624 O ARG A 43 -0.118 11.996 -10.217 1.00 0.00 O ATOM 625 CB ARG A 43 -2.324 13.452 -11.837 1.00 0.00 C ATOM 626 CG ARG A 43 -3.540 12.998 -12.628 1.00 0.00 C ATOM 627 CD ARG A 43 -3.233 12.904 -14.115 1.00 0.00 C ATOM 628 NE ARG A 43 -2.509 11.680 -14.448 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.803 11.524 -15.562 1.00 0.00 C ATOM 630 NH1 ARG A 43 -1.726 12.509 -16.446 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.172 10.380 -15.794 1.00 0.00 N ATOM 0 H ARG A 43 -3.624 14.558 -10.058 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.734 11.949 -10.356 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.286 14.541 -11.838 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.422 13.101 -12.339 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.872 12.027 -12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.361 13.697 -12.468 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.164 12.940 -14.680 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.643 13.768 -14.419 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.548 10.902 -13.789 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.210 13.390 -16.272 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.183 12.386 -17.301 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.229 9.620 -15.117 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.630 10.261 -16.650 1.00 0.00 H new ATOM 645 N SER A 44 -0.521 13.869 -9.037 1.00 0.00 N ATOM 646 CA SER A 44 0.822 13.933 -8.472 1.00 0.00 C ATOM 647 C SER A 44 1.055 12.788 -7.492 1.00 0.00 C ATOM 648 O SER A 44 2.140 12.207 -7.443 1.00 0.00 O ATOM 649 CB SER A 44 1.039 15.274 -7.769 1.00 0.00 C ATOM 650 OG SER A 44 0.327 15.328 -6.545 1.00 0.00 O ATOM 0 H SER A 44 -1.140 14.622 -8.738 1.00 0.00 H new ATOM 0 HA SER A 44 1.538 13.839 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.103 15.422 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.713 16.086 -8.419 1.00 0.00 H new ATOM 0 HG SER A 44 -0.621 15.500 -6.725 1.00 0.00 H new ATOM 656 N LEU A 45 0.028 12.467 -6.713 1.00 0.00 N ATOM 657 CA LEU A 45 0.118 11.390 -5.732 1.00 0.00 C ATOM 658 C LEU A 45 0.663 10.117 -6.370 1.00 0.00 C ATOM 659 O LEU A 45 0.998 10.100 -7.555 1.00 0.00 O ATOM 660 CB LEU A 45 -1.255 11.118 -5.116 1.00 0.00 C ATOM 661 CG LEU A 45 -1.817 12.219 -4.216 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.277 11.948 -3.889 1.00 0.00 C ATOM 663 CD2 LEU A 45 -0.996 12.336 -2.940 1.00 0.00 C ATOM 0 H LEU A 45 -0.877 12.937 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 45 0.806 11.704 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.965 10.939 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.195 10.197 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.756 13.166 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.660 12.742 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.857 11.916 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.363 10.992 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.410 13.124 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.025 11.389 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.036 12.578 -3.192 1.00 0.00 H new ATOM 675 N GLN A 46 0.747 9.053 -5.578 1.00 0.00 N ATOM 676 CA GLN A 46 1.250 7.775 -6.067 1.00 0.00 C ATOM 677 C GLN A 46 0.107 6.890 -6.552 1.00 0.00 C ATOM 678 O GLN A 46 -0.019 6.621 -7.747 1.00 0.00 O ATOM 679 CB GLN A 46 2.036 7.058 -4.968 1.00 0.00 C ATOM 680 CG GLN A 46 3.342 7.745 -4.605 1.00 0.00 C ATOM 681 CD GLN A 46 4.491 7.323 -5.500 1.00 0.00 C ATOM 682 OE1 GLN A 46 4.442 7.498 -6.718 1.00 0.00 O ATOM 683 NE2 GLN A 46 5.535 6.764 -4.899 1.00 0.00 N ATOM 0 H GLN A 46 0.473 9.051 -4.595 1.00 0.00 H new ATOM 0 HA GLN A 46 1.914 7.972 -6.908 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.413 6.986 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.249 6.039 -5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.211 8.825 -4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.592 7.519 -3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.534 6.638 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.338 6.461 -5.450 1.00 0.00 H new ATOM 692 N ARG A 47 -0.723 6.439 -5.617 1.00 0.00 N ATOM 693 CA ARG A 47 -1.855 5.582 -5.949 1.00 0.00 C ATOM 694 C ARG A 47 -2.986 6.394 -6.574 1.00 0.00 C ATOM 695 O ARG A 47 -4.141 6.290 -6.160 1.00 0.00 O ATOM 696 CB ARG A 47 -2.362 4.862 -4.698 1.00 0.00 C ATOM 697 CG ARG A 47 -1.261 4.186 -3.897 1.00 0.00 C ATOM 698 CD ARG A 47 -0.973 2.787 -4.416 1.00 0.00 C ATOM 699 NE ARG A 47 0.420 2.400 -4.204 1.00 0.00 N ATOM 700 CZ ARG A 47 1.433 2.882 -4.916 1.00 0.00 C ATOM 701 NH1 ARG A 47 1.209 3.765 -5.880 1.00 0.00 N ATOM 702 NH2 ARG A 47 2.672 2.482 -4.663 1.00 0.00 N ATOM 0 H ARG A 47 -0.633 6.653 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.517 4.842 -6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.876 5.580 -4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.097 4.113 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.353 4.787 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.553 4.133 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.628 2.073 -3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.204 2.740 -5.480 1.00 0.00 H new ATOM 0 HE ARG A 47 0.626 1.723 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.257 4.076 -6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.988 4.134 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.848 1.804 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.449 2.852 -5.210 1.00 0.00 H new ATOM 716 N ILE A 48 -2.645 7.201 -7.573 1.00 0.00 N ATOM 717 CA ILE A 48 -3.632 8.030 -8.255 1.00 0.00 C ATOM 718 C ILE A 48 -3.291 8.186 -9.733 1.00 0.00 C ATOM 719 O ILE A 48 -2.127 8.108 -10.124 1.00 0.00 O ATOM 720 CB ILE A 48 -3.735 9.426 -7.614 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.990 9.303 -6.110 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.839 10.234 -8.279 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.329 8.686 -5.773 1.00 0.00 C ATOM 0 H ILE A 48 -1.694 7.299 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.592 7.523 -8.157 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.790 9.948 -7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.199 8.701 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.931 10.293 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.899 11.218 -7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.619 10.346 -9.341 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.791 9.717 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.442 8.630 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.128 9.300 -6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.384 7.683 -6.196 1.00 0.00 H new ATOM 735 N GLY A 49 -4.315 8.408 -10.551 1.00 0.00 N ATOM 736 CA GLY A 49 -4.103 8.574 -11.978 1.00 0.00 C ATOM 737 C GLY A 49 -5.033 9.605 -12.586 1.00 0.00 C ATOM 738 O GLY A 49 -5.793 10.275 -11.887 1.00 0.00 O ATOM 0 H GLY A 49 -5.288 8.476 -10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.070 8.871 -12.157 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.250 7.617 -12.478 1.00 0.00 H new ATOM 742 N PRO A 50 -4.976 9.745 -13.919 1.00 0.00 N ATOM 743 CA PRO A 50 -5.812 10.701 -14.650 1.00 0.00 C ATOM 744 C PRO A 50 -7.283 10.300 -14.656 1.00 0.00 C ATOM 745 O PRO A 50 -8.163 11.128 -14.891 1.00 0.00 O ATOM 746 CB PRO A 50 -5.241 10.659 -16.070 1.00 0.00 C ATOM 747 CG PRO A 50 -4.613 9.312 -16.185 1.00 0.00 C ATOM 748 CD PRO A 50 -4.093 8.979 -14.814 1.00 0.00 C ATOM 0 HA PRO A 50 -5.790 11.692 -14.196 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.024 10.796 -16.816 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.509 11.452 -16.226 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.339 8.570 -16.518 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.806 9.319 -16.917 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.147 7.909 -14.613 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.050 9.273 -14.698 1.00 0.00 H new ATOM 756 N LYS A 51 -7.544 9.023 -14.395 1.00 0.00 N ATOM 757 CA LYS A 51 -8.909 8.511 -14.369 1.00 0.00 C ATOM 758 C LYS A 51 -9.609 8.895 -13.068 1.00 0.00 C ATOM 759 O LYS A 51 -10.597 9.629 -13.076 1.00 0.00 O ATOM 760 CB LYS A 51 -8.908 6.989 -14.530 1.00 0.00 C ATOM 761 CG LYS A 51 -10.205 6.436 -15.094 1.00 0.00 C ATOM 762 CD LYS A 51 -10.356 4.954 -14.795 1.00 0.00 C ATOM 763 CE LYS A 51 -11.806 4.509 -14.903 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.167 4.125 -16.296 1.00 0.00 N ATOM 0 H LYS A 51 -6.828 8.324 -14.198 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.454 8.958 -15.200 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.085 6.702 -15.185 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.718 6.530 -13.560 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.049 6.981 -14.671 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.231 6.595 -16.172 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.745 4.377 -15.489 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.984 4.744 -13.792 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.977 3.663 -14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.459 5.315 -14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.163 3.828 -16.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.029 4.940 -16.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.561 3.339 -16.607 1.00 0.00 H new ATOM 778 N LYS A 52 -9.089 8.394 -11.953 1.00 0.00 N ATOM 779 CA LYS A 52 -9.662 8.686 -10.644 1.00 0.00 C ATOM 780 C LYS A 52 -9.631 10.185 -10.358 1.00 0.00 C ATOM 781 O LYS A 52 -10.603 10.751 -9.860 1.00 0.00 O ATOM 782 CB LYS A 52 -8.900 7.933 -9.551 1.00 0.00 C ATOM 783 CG LYS A 52 -9.175 6.439 -9.538 1.00 0.00 C ATOM 784 CD LYS A 52 -8.010 5.662 -8.949 1.00 0.00 C ATOM 785 CE LYS A 52 -8.132 4.173 -9.233 1.00 0.00 C ATOM 786 NZ LYS A 52 -7.906 3.862 -10.672 1.00 0.00 N ATOM 0 H LYS A 52 -8.272 7.784 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.701 8.356 -10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.831 8.096 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.166 8.351 -8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.076 6.239 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.366 6.095 -10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.074 6.037 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.969 5.826 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.410 3.627 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.123 3.827 -8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.711 2.846 -10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.754 4.113 -11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.094 4.410 -11.022 1.00 0.00 H new ATOM 800 N ALA A 53 -8.509 10.820 -10.679 1.00 0.00 N ATOM 801 CA ALA A 53 -8.353 12.253 -10.460 1.00 0.00 C ATOM 802 C ALA A 53 -9.579 13.019 -10.945 1.00 0.00 C ATOM 803 O ALA A 53 -10.068 13.921 -10.265 1.00 0.00 O ATOM 804 CB ALA A 53 -7.101 12.761 -11.159 1.00 0.00 C ATOM 0 H ALA A 53 -7.695 10.365 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.251 12.422 -9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.997 13.832 -10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.227 12.244 -10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.180 12.572 -12.230 1.00 0.00 H new ATOM 810 N GLN A 54 -10.071 12.654 -12.125 1.00 0.00 N ATOM 811 CA GLN A 54 -11.239 13.308 -12.701 1.00 0.00 C ATOM 812 C GLN A 54 -12.516 12.860 -11.998 1.00 0.00 C ATOM 813 O GLN A 54 -13.494 13.606 -11.928 1.00 0.00 O ATOM 814 CB GLN A 54 -11.334 13.006 -14.197 1.00 0.00 C ATOM 815 CG GLN A 54 -10.193 13.596 -15.011 1.00 0.00 C ATOM 816 CD GLN A 54 -10.455 15.029 -15.428 1.00 0.00 C ATOM 817 OE1 GLN A 54 -10.969 15.832 -14.648 1.00 0.00 O ATOM 818 NE2 GLN A 54 -10.103 15.360 -16.665 1.00 0.00 N ATOM 0 H GLN A 54 -9.678 11.909 -12.700 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.127 14.383 -12.561 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.351 11.926 -14.341 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.279 13.393 -14.578 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.274 13.554 -14.426 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.033 12.986 -15.900 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.680 14.664 -17.279 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.256 16.311 -17.002 1.00 0.00 H new ATOM 827 N LEU A 55 -12.501 11.637 -11.478 1.00 0.00 N ATOM 828 CA LEU A 55 -13.659 11.088 -10.780 1.00 0.00 C ATOM 829 C LEU A 55 -13.849 11.764 -9.426 1.00 0.00 C ATOM 830 O LEU A 55 -14.975 12.030 -9.006 1.00 0.00 O ATOM 831 CB LEU A 55 -13.497 9.579 -10.591 1.00 0.00 C ATOM 832 CG LEU A 55 -13.460 8.743 -11.871 1.00 0.00 C ATOM 833 CD1 LEU A 55 -13.061 7.309 -11.561 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.810 8.783 -12.573 1.00 0.00 C ATOM 0 H LEU A 55 -11.700 11.007 -11.526 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.543 11.279 -11.388 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.576 9.399 -10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.318 9.220 -9.970 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.712 9.170 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.040 6.730 -12.484 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.072 7.297 -11.103 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.784 6.871 -10.874 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.765 8.183 -13.482 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.577 8.382 -11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.056 9.813 -12.830 1.00 0.00 H new ATOM 846 N ILE A 56 -12.740 12.040 -8.748 1.00 0.00 N ATOM 847 CA ILE A 56 -12.784 12.688 -7.442 1.00 0.00 C ATOM 848 C ILE A 56 -13.120 14.170 -7.575 1.00 0.00 C ATOM 849 O ILE A 56 -13.574 14.802 -6.622 1.00 0.00 O ATOM 850 CB ILE A 56 -11.446 12.541 -6.695 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.046 11.067 -6.605 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.544 13.155 -5.307 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.562 10.855 -6.404 1.00 0.00 C ATOM 0 H ILE A 56 -11.800 11.825 -9.081 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.566 12.190 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.675 13.073 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.586 10.602 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.357 10.558 -7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.590 13.043 -4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.787 14.214 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.325 12.649 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.351 9.787 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.016 11.290 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.248 11.335 -5.477 1.00 0.00 H new ATOM 865 N VAL A 57 -12.894 14.718 -8.765 1.00 0.00 N ATOM 866 CA VAL A 57 -13.175 16.125 -9.025 1.00 0.00 C ATOM 867 C VAL A 57 -14.595 16.314 -9.547 1.00 0.00 C ATOM 868 O VAL A 57 -15.282 17.265 -9.176 1.00 0.00 O ATOM 869 CB VAL A 57 -12.182 16.717 -10.042 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.546 18.157 -10.368 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.759 16.625 -9.513 1.00 0.00 C ATOM 0 H VAL A 57 -12.517 14.209 -9.564 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.067 16.650 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.241 16.135 -10.962 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.833 18.558 -11.088 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.549 18.191 -10.793 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.517 18.755 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.071 17.048 -10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.682 17.181 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.503 15.580 -9.336 1.00 0.00 H new ATOM 881 N GLY A 58 -15.028 15.401 -10.411 1.00 0.00 N ATOM 882 CA GLY A 58 -16.365 15.486 -10.971 1.00 0.00 C ATOM 883 C GLY A 58 -17.437 15.099 -9.971 1.00 0.00 C ATOM 884 O GLY A 58 -18.489 15.735 -9.903 1.00 0.00 O ATOM 0 H GLY A 58 -14.478 14.605 -10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.546 16.503 -11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.433 14.835 -11.842 1.00 0.00 H new ATOM 888 N TRP A 59 -17.172 14.054 -9.196 1.00 0.00 N ATOM 889 CA TRP A 59 -18.124 13.583 -8.197 1.00 0.00 C ATOM 890 C TRP A 59 -18.345 14.636 -7.116 1.00 0.00 C ATOM 891 O TRP A 59 -19.473 14.866 -6.683 1.00 0.00 O ATOM 892 CB TRP A 59 -17.629 12.281 -7.565 1.00 0.00 C ATOM 893 CG TRP A 59 -18.421 11.866 -6.362 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.438 12.478 -5.141 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.308 10.747 -6.264 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.283 11.807 -4.291 1.00 0.00 N ATOM 897 CE2 TRP A 59 -19.830 10.742 -4.956 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.714 9.750 -7.155 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.734 9.777 -4.519 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.612 8.794 -6.720 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.115 8.813 -5.413 1.00 0.00 C ATOM 0 H TRP A 59 -16.306 13.517 -9.240 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.075 13.398 -8.696 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.669 11.486 -8.310 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.583 12.398 -7.280 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -17.871 13.360 -4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -19.472 12.061 -3.321 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.333 9.727 -8.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.121 9.789 -3.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.932 8.018 -7.400 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.817 8.052 -5.105 1.00 0.00 H new ATOM 912 N ARG A 60 -17.260 15.271 -6.685 1.00 0.00 N ATOM 913 CA ARG A 60 -17.336 16.299 -5.654 1.00 0.00 C ATOM 914 C ARG A 60 -18.042 17.545 -6.179 1.00 0.00 C ATOM 915 O ARG A 60 -18.899 18.115 -5.505 1.00 0.00 O ATOM 916 CB ARG A 60 -15.934 16.663 -5.163 1.00 0.00 C ATOM 917 CG ARG A 60 -15.242 17.713 -6.018 1.00 0.00 C ATOM 918 CD ARG A 60 -13.934 18.168 -5.391 1.00 0.00 C ATOM 919 NE ARG A 60 -12.804 17.354 -5.830 1.00 0.00 N ATOM 920 CZ ARG A 60 -11.546 17.780 -5.827 1.00 0.00 C ATOM 921 NH1 ARG A 60 -11.258 19.005 -5.410 1.00 0.00 N ATOM 922 NH2 ARG A 60 -10.572 16.979 -6.241 1.00 0.00 N ATOM 0 H ARG A 60 -16.318 15.092 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 60 -17.914 15.900 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.001 17.028 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.321 15.762 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.049 17.306 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.902 18.571 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.752 19.211 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.016 18.119 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.991 16.406 -6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.004 19.623 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.291 19.329 -5.409 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.789 16.035 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.606 17.307 -6.238 1.00 0.00 H new ATOM 936 N GLU A 61 -17.675 17.962 -7.387 1.00 0.00 N ATOM 937 CA GLU A 61 -18.273 19.142 -8.002 1.00 0.00 C ATOM 938 C GLU A 61 -19.795 19.094 -7.903 1.00 0.00 C ATOM 939 O GLU A 61 -20.447 20.115 -7.680 1.00 0.00 O ATOM 940 CB GLU A 61 -17.849 19.251 -9.468 1.00 0.00 C ATOM 941 CG GLU A 61 -16.574 20.049 -9.675 1.00 0.00 C ATOM 942 CD GLU A 61 -16.536 20.751 -11.019 1.00 0.00 C ATOM 943 OE1 GLU A 61 -17.038 20.171 -12.004 1.00 0.00 O ATOM 944 OE2 GLU A 61 -16.004 21.878 -11.085 1.00 0.00 O ATOM 0 H GLU A 61 -16.967 17.501 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.918 20.021 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.710 18.248 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.655 19.715 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.480 20.789 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.715 19.382 -9.593 1.00 0.00 H new ATOM 951 N LEU A 62 -20.356 17.901 -8.071 1.00 0.00 N ATOM 952 CA LEU A 62 -21.802 17.719 -8.002 1.00 0.00 C ATOM 953 C LEU A 62 -22.238 17.357 -6.585 1.00 0.00 C ATOM 954 O LEU A 62 -23.052 18.053 -5.978 1.00 0.00 O ATOM 955 CB LEU A 62 -22.245 16.629 -8.979 1.00 0.00 C ATOM 956 CG LEU A 62 -22.322 17.037 -10.450 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.583 15.823 -11.328 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.402 18.089 -10.656 1.00 0.00 C ATOM 0 H LEU A 62 -19.832 17.046 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.276 18.661 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.556 15.789 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.227 16.270 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.363 17.468 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.635 16.133 -12.372 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.774 15.103 -11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.527 15.362 -11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.443 18.368 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.367 17.685 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.171 18.970 -10.056 1.00 0.00 H new ATOM 970 N HIS A 63 -21.689 16.264 -6.064 1.00 0.00 N ATOM 971 CA HIS A 63 -22.019 15.810 -4.718 1.00 0.00 C ATOM 972 C HIS A 63 -21.642 16.865 -3.682 1.00 0.00 C ATOM 973 O HIS A 63 -22.472 17.283 -2.876 1.00 0.00 O ATOM 974 CB HIS A 63 -21.301 14.496 -4.409 1.00 0.00 C ATOM 975 CG HIS A 63 -21.762 13.349 -5.255 1.00 0.00 C ATOM 976 ND1 HIS A 63 -21.803 13.202 -6.600 1.00 0.00 N flip ATOM 977 CD2 HIS A 63 -22.255 12.175 -4.727 1.00 0.00 C flip ATOM 978 CE1 HIS A 63 -22.315 11.954 -6.858 1.00 0.00 C flip ATOM 979 NE2 HIS A 63 -22.579 11.354 -5.711 1.00 0.00 N flip ATOM 0 H HIS A 63 -21.014 15.677 -6.554 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.096 15.646 -4.670 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.229 14.635 -4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.453 14.247 -3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -22.360 11.960 -3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -22.476 11.532 -7.839 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -22.967 10.417 -5.603 1.00 0.00 H new ATOM 988 N GLY A 64 -20.382 17.291 -3.709 1.00 0.00 N ATOM 989 CA GLY A 64 -19.918 18.292 -2.767 1.00 0.00 C ATOM 990 C GLY A 64 -18.594 17.918 -2.129 1.00 0.00 C ATOM 991 O GLY A 64 -17.887 17.025 -2.595 1.00 0.00 O ATOM 0 H GLY A 64 -19.675 16.961 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.814 19.248 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.668 18.428 -1.988 1.00 0.00 H new ATOM 995 N PRO A 65 -18.242 18.612 -1.037 1.00 0.00 N ATOM 996 CA PRO A 65 -16.992 18.366 -0.311 1.00 0.00 C ATOM 997 C PRO A 65 -17.001 17.029 0.422 1.00 0.00 C ATOM 998 O PRO A 65 -17.983 16.673 1.073 1.00 0.00 O ATOM 999 CB PRO A 65 -16.929 19.523 0.689 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.348 19.929 0.890 1.00 0.00 C ATOM 1001 CD PRO A 65 -19.037 19.690 -0.425 1.00 0.00 C ATOM 0 HA PRO A 65 -16.134 18.317 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.470 19.211 1.627 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.332 20.349 0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.812 19.346 1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.417 20.977 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -20.076 19.393 -0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -19.042 20.587 -1.045 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.901 16.292 0.312 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.782 14.993 0.964 1.00 0.00 C ATOM 1011 C PHE A 66 -15.651 15.154 2.476 1.00 0.00 C ATOM 1012 O PHE A 66 -14.566 15.425 2.991 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.574 14.231 0.414 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.577 14.103 -1.082 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.420 13.203 -1.712 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.736 14.884 -1.859 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.423 13.083 -3.089 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -13.735 14.769 -3.236 1.00 0.00 C ATOM 1019 CZ PHE A 66 -14.581 13.868 -3.852 1.00 0.00 C ATOM 0 H PHE A 66 -15.079 16.572 -0.223 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.688 14.424 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.661 14.739 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.551 13.235 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.082 12.588 -1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.073 15.591 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.084 12.376 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.074 15.383 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 66 -14.584 13.777 -4.928 1.00 0.00 H new ATOM 1029 N SER A 67 -16.765 14.984 3.181 1.00 0.00 N ATOM 1030 CA SER A 67 -16.777 15.115 4.634 1.00 0.00 C ATOM 1031 C SER A 67 -15.563 14.427 5.251 1.00 0.00 C ATOM 1032 O SER A 67 -15.142 14.763 6.357 1.00 0.00 O ATOM 1033 CB SER A 67 -18.062 14.518 5.210 1.00 0.00 C ATOM 1034 OG SER A 67 -18.394 15.121 6.449 1.00 0.00 O ATOM 0 H SER A 67 -17.670 14.755 2.770 1.00 0.00 H new ATOM 0 HA SER A 67 -16.736 16.176 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.880 14.657 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.938 13.444 5.346 1.00 0.00 H new ATOM 0 HG SER A 67 -19.220 14.723 6.796 1.00 0.00 H new ATOM 1040 N GLN A 68 -15.005 13.462 4.526 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.840 12.726 5.002 1.00 0.00 C ATOM 1042 C GLN A 68 -13.227 11.892 3.882 1.00 0.00 C ATOM 1043 O GLN A 68 -13.897 11.563 2.903 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.225 11.823 6.175 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.029 10.600 5.762 1.00 0.00 C ATOM 1046 CD GLN A 68 -15.858 10.036 6.898 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -15.531 10.219 8.071 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -16.940 9.345 6.556 1.00 0.00 N ATOM 0 H GLN A 68 -15.341 13.172 3.608 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.098 13.450 5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.318 11.497 6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.804 12.402 6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.687 10.865 4.934 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.350 9.830 5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.174 9.218 5.571 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.537 8.942 7.278 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.951 11.555 4.032 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.248 10.758 3.033 1.00 0.00 C ATOM 1059 C VAL A 69 -12.016 9.482 2.708 1.00 0.00 C ATOM 1060 O VAL A 69 -12.008 9.015 1.570 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.831 10.385 3.508 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.080 9.639 2.416 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.068 11.630 3.936 1.00 0.00 C ATOM 0 H VAL A 69 -11.382 11.821 4.836 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.172 11.371 2.135 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.918 9.725 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.081 9.384 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.619 8.726 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.001 10.271 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.069 11.348 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.990 12.316 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.598 12.119 4.753 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.678 8.923 3.717 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.451 7.700 3.537 1.00 0.00 C ATOM 1075 C GLU A 70 -14.447 7.849 2.391 1.00 0.00 C ATOM 1076 O GLU A 70 -14.687 6.906 1.637 1.00 0.00 O ATOM 1077 CB GLU A 70 -14.191 7.344 4.828 1.00 0.00 C ATOM 1078 CG GLU A 70 -14.632 5.892 4.897 1.00 0.00 C ATOM 1079 CD GLU A 70 -15.740 5.665 5.908 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -16.636 6.530 6.008 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -15.710 4.625 6.597 1.00 0.00 O ATOM 0 H GLU A 70 -12.694 9.297 4.666 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.758 6.896 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.544 7.559 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.067 7.986 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.973 5.573 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.776 5.268 5.156 1.00 0.00 H new ATOM 1088 N ASP A 71 -15.024 9.039 2.268 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.994 9.313 1.214 1.00 0.00 C ATOM 1090 C ASP A 71 -15.519 8.748 -0.122 1.00 0.00 C ATOM 1091 O ASP A 71 -16.327 8.355 -0.964 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.232 10.818 1.089 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.207 11.338 2.127 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.222 10.795 3.252 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -17.955 12.288 1.815 1.00 0.00 O ATOM 0 H ASP A 71 -14.837 9.829 2.885 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.932 8.826 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.282 11.343 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.613 11.041 0.093 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.205 8.712 -0.309 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.622 8.196 -1.543 1.00 0.00 C ATOM 1102 C LEU A 72 -14.293 6.891 -1.959 1.00 0.00 C ATOM 1103 O LEU A 72 -14.502 6.641 -3.145 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.118 7.976 -1.367 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.242 9.226 -1.456 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.809 8.902 -1.062 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.291 9.813 -2.859 1.00 0.00 C ATOM 0 H LEU A 72 -13.523 9.034 0.378 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.786 8.933 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.951 7.508 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.784 7.268 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.630 9.969 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.200 9.803 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.789 8.528 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.410 8.142 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.662 10.702 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.928 9.075 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.318 10.083 -3.105 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.630 6.065 -0.974 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.279 4.786 -1.238 1.00 0.00 C ATOM 1121 C GLU A 73 -16.542 4.980 -2.073 1.00 0.00 C ATOM 1122 O GLU A 73 -16.852 4.169 -2.946 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.625 4.083 0.076 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.518 2.867 -0.102 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.343 1.848 1.007 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -15.896 2.237 2.106 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -16.655 0.661 0.776 1.00 0.00 O ATOM 0 H GLU A 73 -14.465 6.258 0.014 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.584 4.164 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.702 3.777 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.120 4.793 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.559 3.187 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.298 2.397 -1.061 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.267 6.059 -1.796 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.497 6.359 -2.519 1.00 0.00 C ATOM 1136 C ARG A 74 -18.238 6.445 -4.020 1.00 0.00 C ATOM 1137 O ARG A 74 -19.058 6.010 -4.829 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.101 7.672 -2.018 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.314 7.710 -0.514 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.681 7.166 -0.131 1.00 0.00 C ATOM 1141 NE ARG A 74 -20.790 5.732 -0.385 1.00 0.00 N ATOM 1142 CZ ARG A 74 -20.136 4.810 0.313 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -19.331 5.171 1.303 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -20.288 3.524 0.022 1.00 0.00 N ATOM 0 H ARG A 74 -17.024 6.740 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.203 5.549 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.447 8.496 -2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.057 7.836 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.537 7.126 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.216 8.735 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.866 7.362 0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.452 7.693 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.402 5.421 -1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.213 6.158 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.830 4.461 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.907 3.243 -0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.785 2.817 0.558 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.092 7.011 -4.386 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.724 7.154 -5.790 1.00 0.00 C ATOM 1160 C VAL A 75 -16.797 5.816 -6.517 1.00 0.00 C ATOM 1161 O VAL A 75 -16.193 4.833 -6.089 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.305 7.732 -5.942 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.079 8.227 -7.362 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.074 8.849 -4.936 1.00 0.00 C ATOM 0 H VAL A 75 -16.403 7.378 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.439 7.845 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.585 6.939 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.071 8.632 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.199 7.398 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.805 9.006 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.066 9.246 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.800 9.645 -5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.190 8.458 -3.925 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.541 5.787 -7.618 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.693 4.568 -8.405 1.00 0.00 C ATOM 1176 C GLU A 76 -16.349 4.111 -8.964 1.00 0.00 C ATOM 1177 O GLU A 76 -16.237 3.025 -9.532 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.684 4.793 -9.548 1.00 0.00 C ATOM 1179 CG GLU A 76 -20.033 5.322 -9.089 1.00 0.00 C ATOM 1180 CD GLU A 76 -21.136 5.058 -10.095 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -21.058 5.602 -11.217 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -22.076 4.307 -9.762 1.00 0.00 O ATOM 0 H GLU A 76 -18.048 6.593 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 76 -18.078 3.788 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.251 5.495 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.833 3.853 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -20.296 4.860 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.957 6.395 -8.912 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.329 4.949 -8.800 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.007 4.614 -9.294 1.00 0.00 C ATOM 1191 C GLY A 77 -13.044 4.257 -8.179 1.00 0.00 C ATOM 1192 O GLY A 77 -11.955 3.742 -8.432 1.00 0.00 O ATOM 0 H GLY A 77 -15.396 5.854 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.083 3.776 -9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.609 5.458 -9.858 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.445 4.533 -6.943 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.609 4.238 -5.786 1.00 0.00 C ATOM 1198 C ILE A 78 -13.419 3.570 -4.679 1.00 0.00 C ATOM 1199 O ILE A 78 -14.184 4.225 -3.971 1.00 0.00 O ATOM 1200 CB ILE A 78 -11.951 5.513 -5.226 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.386 6.363 -6.366 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -10.856 5.152 -4.234 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.273 7.832 -6.026 1.00 0.00 C ATOM 0 H ILE A 78 -14.343 4.960 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.830 3.556 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.709 6.097 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.400 5.984 -6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.023 6.249 -7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.401 6.064 -3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.285 4.583 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.096 4.551 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.865 8.373 -6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.260 8.226 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.612 7.957 -5.168 1.00 0.00 H new ATOM 1215 N THR A 79 -13.243 2.260 -4.533 1.00 0.00 N ATOM 1216 CA THR A 79 -13.956 1.503 -3.512 1.00 0.00 C ATOM 1217 C THR A 79 -13.317 1.691 -2.141 1.00 0.00 C ATOM 1218 O THR A 79 -12.283 2.345 -2.012 1.00 0.00 O ATOM 1219 CB THR A 79 -13.989 0.000 -3.848 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.716 -0.712 -2.841 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.579 -0.562 -3.955 1.00 0.00 C ATOM 0 H THR A 79 -12.613 1.702 -5.109 1.00 0.00 H new ATOM 0 HA THR A 79 -14.976 1.886 -3.490 1.00 0.00 H new ATOM 0 HB THR A 79 -14.487 -0.123 -4.810 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.734 -1.666 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.628 -1.625 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.037 -0.038 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.060 -0.426 -3.006 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.940 1.113 -1.118 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.416 1.229 0.231 1.00 0.00 C ATOM 1231 C GLY A 80 -12.039 0.611 0.373 1.00 0.00 C ATOM 1232 O GLY A 80 -11.254 1.018 1.229 1.00 0.00 O ATOM 0 H GLY A 80 -14.798 0.567 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.369 2.282 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.102 0.745 0.927 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.746 -0.376 -0.466 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.454 -1.052 -0.431 1.00 0.00 C ATOM 1238 C LYS A 81 -9.393 -0.238 -1.165 1.00 0.00 C ATOM 1239 O LYS A 81 -8.249 -0.149 -0.721 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.568 -2.444 -1.056 1.00 0.00 C ATOM 1241 CG LYS A 81 -11.536 -3.361 -0.329 1.00 0.00 C ATOM 1242 CD LYS A 81 -11.164 -4.823 -0.510 1.00 0.00 C ATOM 1243 CE LYS A 81 -12.196 -5.743 0.123 1.00 0.00 C ATOM 1244 NZ LYS A 81 -13.373 -5.951 -0.765 1.00 0.00 N ATOM 0 H LYS A 81 -12.386 -0.726 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.152 -1.152 0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.887 -2.342 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.582 -2.908 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.543 -3.115 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.547 -3.193 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.077 -5.049 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.187 -5.009 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.736 -6.705 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.527 -5.319 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.053 -6.584 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.828 -5.036 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.061 -6.379 -1.660 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.782 0.354 -2.290 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.863 1.161 -3.084 1.00 0.00 C ATOM 1260 C GLN A 82 -8.405 2.390 -2.305 1.00 0.00 C ATOM 1261 O GLN A 82 -7.210 2.674 -2.224 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.530 1.591 -4.392 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.443 0.546 -5.492 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.019 0.103 -5.765 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -7.601 -0.978 -5.347 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.264 0.937 -6.470 1.00 0.00 N ATOM 0 H GLN A 82 -10.726 0.290 -2.672 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.988 0.552 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.579 1.816 -4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.065 2.513 -4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.042 -0.321 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.875 0.950 -6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.651 1.823 -6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.297 0.692 -6.685 1.00 0.00 H new ATOM 1275 N MET A 83 -9.362 3.114 -1.735 1.00 0.00 N ATOM 1276 CA MET A 83 -9.055 4.311 -0.961 1.00 0.00 C ATOM 1277 C MET A 83 -8.118 3.985 0.197 1.00 0.00 C ATOM 1278 O MET A 83 -7.247 4.781 0.544 1.00 0.00 O ATOM 1279 CB MET A 83 -10.342 4.944 -0.429 1.00 0.00 C ATOM 1280 CG MET A 83 -10.978 4.163 0.709 1.00 0.00 C ATOM 1281 SD MET A 83 -10.165 4.456 2.292 1.00 0.00 S ATOM 1282 CE MET A 83 -10.274 6.240 2.403 1.00 0.00 C ATOM 0 H MET A 83 -10.356 2.893 -1.794 1.00 0.00 H new ATOM 0 HA MET A 83 -8.555 5.021 -1.620 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.125 5.956 -0.087 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.059 5.030 -1.245 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.030 4.437 0.789 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.942 3.098 0.478 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.419 6.532 3.443 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.353 6.685 2.026 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.117 6.591 1.807 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.305 2.811 0.791 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.476 2.382 1.912 1.00 0.00 C ATOM 1294 C GLU A 84 -6.019 2.233 1.484 1.00 0.00 C ATOM 1295 O GLU A 84 -5.126 2.861 2.054 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.991 1.057 2.478 1.00 0.00 C ATOM 1297 CG GLU A 84 -9.099 1.223 3.504 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.586 1.731 4.838 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.475 1.325 5.240 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -9.296 2.533 5.480 1.00 0.00 O ATOM 0 H GLU A 84 -9.022 2.140 0.515 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.533 3.146 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.356 0.439 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.160 0.520 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.846 1.917 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.599 0.266 3.652 1.00 0.00 H new ATOM 1307 N SER A 85 -5.785 1.396 0.478 1.00 0.00 N ATOM 1308 CA SER A 85 -4.436 1.160 -0.023 1.00 0.00 C ATOM 1309 C SER A 85 -3.797 2.463 -0.494 1.00 0.00 C ATOM 1310 O SER A 85 -2.573 2.597 -0.509 1.00 0.00 O ATOM 1311 CB SER A 85 -4.465 0.149 -1.171 1.00 0.00 C ATOM 1312 OG SER A 85 -5.146 0.675 -2.297 1.00 0.00 O ATOM 0 H SER A 85 -6.512 0.870 -0.006 1.00 0.00 H new ATOM 0 HA SER A 85 -3.837 0.755 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.446 -0.118 -1.451 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.955 -0.767 -0.841 1.00 0.00 H new ATOM 0 HG SER A 85 -5.791 1.352 -2.003 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.634 3.421 -0.878 1.00 0.00 N ATOM 1319 CA PHE A 86 -4.152 4.713 -1.351 1.00 0.00 C ATOM 1320 C PHE A 86 -3.621 5.553 -0.193 1.00 0.00 C ATOM 1321 O PHE A 86 -2.481 6.019 -0.220 1.00 0.00 O ATOM 1322 CB PHE A 86 -5.272 5.467 -2.071 1.00 0.00 C ATOM 1323 CG PHE A 86 -5.148 6.961 -1.973 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.971 7.596 -2.333 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -6.209 7.729 -1.523 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.854 8.971 -2.243 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -6.099 9.104 -1.431 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.920 9.726 -1.793 1.00 0.00 C ATOM 0 H PHE A 86 -5.650 3.327 -0.871 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.336 4.534 -2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.276 5.179 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.231 5.162 -1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.135 7.011 -2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.134 7.248 -1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.930 9.454 -2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.934 9.691 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.832 10.800 -1.724 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.455 5.742 0.823 1.00 0.00 N ATOM 1339 CA LEU A 87 -4.071 6.526 1.992 1.00 0.00 C ATOM 1340 C LEU A 87 -2.650 6.188 2.432 1.00 0.00 C ATOM 1341 O LEU A 87 -1.780 7.058 2.481 1.00 0.00 O ATOM 1342 CB LEU A 87 -5.047 6.273 3.143 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.334 7.097 3.125 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.462 6.342 3.811 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.112 8.448 3.790 1.00 0.00 C ATOM 0 H LEU A 87 -5.401 5.363 0.861 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.106 7.581 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.316 5.217 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.528 6.467 4.082 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.618 7.268 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.370 6.945 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.638 5.400 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.187 6.139 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.039 9.021 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.803 8.298 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.335 8.994 3.255 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.420 4.918 2.748 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.104 4.463 3.180 1.00 0.00 C ATOM 1359 C LYS A 88 -0.005 5.082 2.322 1.00 0.00 C ATOM 1360 O LYS A 88 1.012 5.543 2.838 1.00 0.00 O ATOM 1361 CB LYS A 88 -1.021 2.936 3.109 1.00 0.00 C ATOM 1362 CG LYS A 88 0.369 2.389 3.383 1.00 0.00 C ATOM 1363 CD LYS A 88 0.383 0.870 3.369 1.00 0.00 C ATOM 1364 CE LYS A 88 0.595 0.328 1.964 1.00 0.00 C ATOM 1365 NZ LYS A 88 0.654 -1.160 1.946 1.00 0.00 N ATOM 0 H LYS A 88 -3.129 4.185 2.713 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.958 4.782 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.719 2.509 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.343 2.609 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.064 2.767 2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.718 2.748 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.175 0.506 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.559 0.493 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.215 0.667 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.520 0.733 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.799 -1.490 0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.443 -1.483 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.239 -1.547 2.313 1.00 0.00 H new ATOM 1379 N ALA A 89 -0.219 5.090 1.010 1.00 0.00 N ATOM 1380 CA ALA A 89 0.751 5.656 0.082 1.00 0.00 C ATOM 1381 C ALA A 89 1.236 7.022 0.559 1.00 0.00 C ATOM 1382 O ALA A 89 2.420 7.208 0.835 1.00 0.00 O ATOM 1383 CB ALA A 89 0.148 5.765 -1.311 1.00 0.00 C ATOM 0 H ALA A 89 -1.056 4.711 0.567 1.00 0.00 H new ATOM 0 HA ALA A 89 1.611 4.988 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.884 6.189 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.142 4.774 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.730 6.410 -1.278 1.00 0.00 H new ATOM 1389 N ASN A 90 0.312 7.973 0.652 1.00 0.00 N ATOM 1390 CA ASN A 90 0.646 9.322 1.094 1.00 0.00 C ATOM 1391 C ASN A 90 1.044 9.328 2.567 1.00 0.00 C ATOM 1392 O ASN A 90 2.080 9.881 2.939 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.539 10.263 0.870 1.00 0.00 C ATOM 1394 CG ASN A 90 -0.213 11.699 1.229 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.767 12.255 2.178 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.690 12.309 0.470 1.00 0.00 N ATOM 0 H ASN A 90 -0.673 7.834 0.427 1.00 0.00 H new ATOM 0 HA ASN A 90 1.494 9.671 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.846 10.213 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.386 9.925 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.949 13.276 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.124 11.810 -0.307 1.00 0.00 H new ATOM 1403 N ILE A 91 0.214 8.711 3.401 1.00 0.00 N ATOM 1404 CA ILE A 91 0.479 8.644 4.833 1.00 0.00 C ATOM 1405 C ILE A 91 1.904 8.173 5.106 1.00 0.00 C ATOM 1406 O ILE A 91 2.739 8.936 5.594 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.507 7.700 5.545 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.882 8.361 5.666 1.00 0.00 C ATOM 1409 CG2 ILE A 91 0.024 7.316 6.918 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -2.982 7.400 6.061 1.00 0.00 C ATOM 0 H ILE A 91 -0.648 8.250 3.110 1.00 0.00 H new ATOM 0 HA ILE A 91 0.350 9.653 5.225 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.611 6.792 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.828 9.161 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.139 8.823 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.684 6.648 7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.983 6.810 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.154 8.214 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.928 7.937 6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.064 6.613 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.748 6.957 7.029 1.00 0.00 H new ATOM 1422 N LEU A 92 2.175 6.912 4.788 1.00 0.00 N ATOM 1423 CA LEU A 92 3.500 6.338 4.997 1.00 0.00 C ATOM 1424 C LEU A 92 4.543 7.049 4.141 1.00 0.00 C ATOM 1425 O LEU A 92 5.670 7.276 4.578 1.00 0.00 O ATOM 1426 CB LEU A 92 3.487 4.844 4.670 1.00 0.00 C ATOM 1427 CG LEU A 92 2.701 3.953 5.633 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.896 2.486 5.282 1.00 0.00 C ATOM 1429 CD2 LEU A 92 3.120 4.220 7.071 1.00 0.00 C ATOM 0 H LEU A 92 1.495 6.267 4.385 1.00 0.00 H new ATOM 0 HA LEU A 92 3.766 6.472 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.075 4.715 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.518 4.490 4.639 1.00 0.00 H new ATOM 0 HG LEU A 92 1.642 4.191 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.329 1.867 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.544 2.305 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.954 2.233 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.550 3.577 7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.184 4.011 7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.927 5.264 7.318 1.00 0.00 H new ATOM 1441 N GLY A 93 4.157 7.399 2.917 1.00 0.00 N ATOM 1442 CA GLY A 93 5.070 8.083 2.020 1.00 0.00 C ATOM 1443 C GLY A 93 5.552 9.406 2.580 1.00 0.00 C ATOM 1444 O GLY A 93 6.692 9.810 2.346 1.00 0.00 O ATOM 0 H GLY A 93 3.230 7.221 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.929 7.441 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.574 8.256 1.065 1.00 0.00 H new ATOM 1448 N LEU A 94 4.684 10.084 3.322 1.00 0.00 N ATOM 1449 CA LEU A 94 5.027 11.372 3.917 1.00 0.00 C ATOM 1450 C LEU A 94 6.322 11.274 4.717 1.00 0.00 C ATOM 1451 O LEU A 94 7.187 12.144 4.625 1.00 0.00 O ATOM 1452 CB LEU A 94 3.892 11.857 4.820 1.00 0.00 C ATOM 1453 CG LEU A 94 2.759 12.615 4.125 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.450 12.419 4.873 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.097 14.094 4.014 1.00 0.00 C ATOM 0 H LEU A 94 3.737 9.764 3.526 1.00 0.00 H new ATOM 0 HA LEU A 94 5.173 12.090 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.465 10.993 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.317 12.503 5.589 1.00 0.00 H new ATOM 0 HG LEU A 94 2.642 12.214 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.655 12.965 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.202 11.358 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.553 12.793 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.280 14.618 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.242 14.510 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.012 14.216 3.434 1.00 0.00 H new ATOM 1467 N ALA A 95 6.449 10.207 5.500 1.00 0.00 N ATOM 1468 CA ALA A 95 7.640 9.993 6.312 1.00 0.00 C ATOM 1469 C ALA A 95 8.891 10.485 5.592 1.00 0.00 C ATOM 1470 O ALA A 95 9.807 11.021 6.215 1.00 0.00 O ATOM 1471 CB ALA A 95 7.777 8.521 6.669 1.00 0.00 C ATOM 0 H ALA A 95 5.741 9.478 5.589 1.00 0.00 H new ATOM 0 HA ALA A 95 7.532 10.569 7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.671 8.375 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.900 8.200 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.858 7.931 5.756 1.00 0.00 H new ATOM 1477 N ALA A 96 8.923 10.297 4.277 1.00 0.00 N ATOM 1478 CA ALA A 96 10.062 10.722 3.473 1.00 0.00 C ATOM 1479 C ALA A 96 10.109 12.241 3.347 1.00 0.00 C ATOM 1480 O ALA A 96 11.040 12.885 3.828 1.00 0.00 O ATOM 1481 CB ALA A 96 10.005 10.078 2.095 1.00 0.00 C ATOM 0 H ALA A 96 8.174 9.853 3.746 1.00 0.00 H new ATOM 0 HA ALA A 96 10.972 10.397 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.862 10.404 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.028 8.993 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.084 10.375 1.592 1.00 0.00 H new ATOM 1487 N GLY A 97 9.097 12.808 2.697 1.00 0.00 N ATOM 1488 CA GLY A 97 9.043 14.247 2.519 1.00 0.00 C ATOM 1489 C GLY A 97 8.562 14.967 3.763 1.00 0.00 C ATOM 1490 O GLY A 97 7.761 15.898 3.678 1.00 0.00 O ATOM 0 H GLY A 97 8.314 12.296 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.034 14.614 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.379 14.483 1.687 1.00 0.00 H new ATOM 1494 N GLN A 98 9.049 14.535 4.921 1.00 0.00 N ATOM 1495 CA GLN A 98 8.661 15.144 6.188 1.00 0.00 C ATOM 1496 C GLN A 98 9.436 16.435 6.431 1.00 0.00 C ATOM 1497 O GLN A 98 9.432 16.974 7.539 1.00 0.00 O ATOM 1498 CB GLN A 98 8.898 14.167 7.341 1.00 0.00 C ATOM 1499 CG GLN A 98 7.723 13.240 7.606 1.00 0.00 C ATOM 1500 CD GLN A 98 6.724 13.829 8.583 1.00 0.00 C ATOM 1501 OE1 GLN A 98 6.966 14.879 9.179 1.00 0.00 O ATOM 1502 NE2 GLN A 98 5.592 13.155 8.751 1.00 0.00 N ATOM 0 H GLN A 98 9.713 13.766 5.009 1.00 0.00 H new ATOM 0 HA GLN A 98 7.599 15.384 6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.781 13.567 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.115 14.733 8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.219 13.020 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.094 12.293 7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.433 12.289 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.882 13.504 9.395 1.00 0.00 H new TER 1511 GLN A 98