USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN :FLIP amide:sc= -0.0349 F(o=0.61,f=1.1) USER MOD Set 1.2: A 22 THR OG1 : rot -67:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.00616 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.546 K(o=0.55,f=-0.14) USER MOD Single : A 17 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.7) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 34 THR OG1 : rot 76:sc= 0.256 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 33:sc= 0.453 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0968 USER MOD Single : A 54 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.75) USER MOD Single : A 59 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0831 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -43:sc= 0.402 USER MOD Single : A 77 CYS SG : rot -161:sc= 0.473 USER MOD Single : A 79 CYS SG : rot 73:sc= 0.599 USER MOD Single : A 85 THR OG1 : rot 66:sc= 1.3 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 104 GLN : amide:sc=-0.00836 X(o=-0.0084,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.380 18.948 1.483 1.00 0.00 N ATOM 2 CA GLY A 1 10.647 18.417 0.981 1.00 0.00 C ATOM 3 C GLY A 1 10.544 16.921 0.780 1.00 0.00 C ATOM 4 O GLY A 1 9.577 16.446 0.175 1.00 0.00 O ATOM 0 H1 GLY A 1 9.169 19.850 1.009 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.617 18.268 1.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.451 19.104 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.905 18.901 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.448 18.642 1.685 1.00 0.00 H new ATOM 8 N MET A 2 11.528 16.185 1.292 1.00 0.00 N ATOM 9 CA MET A 2 11.529 14.740 1.473 1.00 0.00 C ATOM 10 C MET A 2 12.399 14.431 2.695 1.00 0.00 C ATOM 11 O MET A 2 13.230 15.258 3.078 1.00 0.00 O ATOM 12 CB MET A 2 12.016 14.032 0.200 1.00 0.00 C ATOM 13 CG MET A 2 13.457 14.369 -0.206 1.00 0.00 C ATOM 14 SD MET A 2 13.801 13.992 -1.944 1.00 0.00 S ATOM 15 CE MET A 2 15.329 14.937 -2.185 1.00 0.00 C ATOM 0 H MET A 2 12.399 16.611 1.610 1.00 0.00 H new ATOM 0 HA MET A 2 10.521 14.364 1.650 1.00 0.00 H new ATOM 0 HB2 MET A 2 11.936 12.955 0.346 1.00 0.00 H new ATOM 0 HB3 MET A 2 11.350 14.293 -0.623 1.00 0.00 H new ATOM 0 HG2 MET A 2 13.643 15.428 -0.025 1.00 0.00 H new ATOM 0 HG3 MET A 2 14.148 13.811 0.426 1.00 0.00 H new ATOM 0 HE1 MET A 2 15.676 14.812 -3.211 1.00 0.00 H new ATOM 0 HE2 MET A 2 15.138 15.993 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 2 16.093 14.575 -1.497 1.00 0.00 H new ATOM 25 N SER A 3 12.252 13.249 3.291 1.00 0.00 N ATOM 26 CA SER A 3 12.900 12.873 4.541 1.00 0.00 C ATOM 27 C SER A 3 13.337 11.432 4.375 1.00 0.00 C ATOM 28 O SER A 3 12.487 10.572 4.149 1.00 0.00 O ATOM 29 CB SER A 3 11.923 13.048 5.716 1.00 0.00 C ATOM 30 OG SER A 3 12.286 12.278 6.858 1.00 0.00 O ATOM 0 H SER A 3 11.664 12.510 2.906 1.00 0.00 H new ATOM 0 HA SER A 3 13.761 13.503 4.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.881 14.101 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.921 12.762 5.395 1.00 0.00 H new ATOM 0 HG SER A 3 11.634 12.427 7.574 1.00 0.00 H new ATOM 36 N ALA A 4 14.637 11.172 4.508 1.00 0.00 N ATOM 37 CA ALA A 4 15.265 9.887 4.226 1.00 0.00 C ATOM 38 C ALA A 4 14.813 9.318 2.872 1.00 0.00 C ATOM 39 O ALA A 4 14.681 8.104 2.732 1.00 0.00 O ATOM 40 CB ALA A 4 15.052 8.928 5.405 1.00 0.00 C ATOM 0 H ALA A 4 15.303 11.876 4.826 1.00 0.00 H new ATOM 0 HA ALA A 4 16.341 10.029 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 4 15.525 7.971 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 4 15.496 9.354 6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 4 13.984 8.778 5.563 1.00 0.00 H new ATOM 46 N ASP A 5 14.585 10.199 1.893 1.00 0.00 N ATOM 47 CA ASP A 5 14.072 9.932 0.544 1.00 0.00 C ATOM 48 C ASP A 5 12.600 9.503 0.487 1.00 0.00 C ATOM 49 O ASP A 5 12.048 9.364 -0.604 1.00 0.00 O ATOM 50 CB ASP A 5 14.980 8.947 -0.213 1.00 0.00 C ATOM 51 CG ASP A 5 14.641 8.924 -1.700 1.00 0.00 C ATOM 52 OD1 ASP A 5 14.735 9.991 -2.354 1.00 0.00 O ATOM 53 OD2 ASP A 5 14.299 7.842 -2.231 1.00 0.00 O ATOM 0 H ASP A 5 14.768 11.193 2.033 1.00 0.00 H new ATOM 0 HA ASP A 5 14.098 10.895 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.023 9.232 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.866 7.947 0.205 1.00 0.00 H new ATOM 58 N GLY A 6 11.927 9.330 1.624 1.00 0.00 N ATOM 59 CA GLY A 6 10.555 8.871 1.636 1.00 0.00 C ATOM 60 C GLY A 6 10.042 8.684 3.053 1.00 0.00 C ATOM 61 O GLY A 6 10.219 7.608 3.629 1.00 0.00 O ATOM 0 H GLY A 6 12.320 9.504 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.925 9.590 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.481 7.928 1.094 1.00 0.00 H new ATOM 65 N SER A 7 9.421 9.727 3.615 1.00 0.00 N ATOM 66 CA SER A 7 8.785 9.673 4.933 1.00 0.00 C ATOM 67 C SER A 7 7.705 10.760 5.096 1.00 0.00 C ATOM 68 O SER A 7 6.903 10.687 6.026 1.00 0.00 O ATOM 69 CB SER A 7 9.887 9.772 5.997 1.00 0.00 C ATOM 70 OG SER A 7 9.535 9.292 7.290 1.00 0.00 O ATOM 0 H SER A 7 9.346 10.638 3.163 1.00 0.00 H new ATOM 0 HA SER A 7 8.256 8.727 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.757 9.217 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.190 10.815 6.086 1.00 0.00 H new ATOM 0 HG SER A 7 10.298 9.395 7.896 1.00 0.00 H new ATOM 76 N GLU A 8 7.584 11.706 4.158 1.00 0.00 N ATOM 77 CA GLU A 8 6.387 12.530 3.955 1.00 0.00 C ATOM 78 C GLU A 8 5.177 11.670 3.612 1.00 0.00 C ATOM 79 O GLU A 8 4.054 12.145 3.588 1.00 0.00 O ATOM 80 CB GLU A 8 6.586 13.563 2.832 1.00 0.00 C ATOM 81 CG GLU A 8 6.856 13.025 1.415 1.00 0.00 C ATOM 82 CD GLU A 8 8.301 12.591 1.095 1.00 0.00 C ATOM 83 OE1 GLU A 8 9.124 12.433 2.032 1.00 0.00 O ATOM 84 OE2 GLU A 8 8.586 12.438 -0.118 1.00 0.00 O ATOM 0 H GLU A 8 8.334 11.925 3.503 1.00 0.00 H new ATOM 0 HA GLU A 8 6.213 13.054 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.696 14.191 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.419 14.209 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.200 12.171 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.567 13.795 0.699 1.00 0.00 H new ATOM 91 N TYR A 9 5.380 10.390 3.347 1.00 0.00 N ATOM 92 CA TYR A 9 4.321 9.427 3.144 1.00 0.00 C ATOM 93 C TYR A 9 3.371 9.410 4.346 1.00 0.00 C ATOM 94 O TYR A 9 2.155 9.363 4.166 1.00 0.00 O ATOM 95 CB TYR A 9 4.978 8.070 2.934 1.00 0.00 C ATOM 96 CG TYR A 9 6.093 7.983 1.904 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.197 8.901 0.838 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.052 6.959 2.032 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.205 8.758 -0.125 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.045 6.802 1.050 1.00 0.00 C ATOM 101 CZ TYR A 9 8.101 7.675 -0.057 1.00 0.00 C ATOM 102 OH TYR A 9 9.023 7.521 -1.044 1.00 0.00 O ATOM 0 H TYR A 9 6.313 9.986 3.266 1.00 0.00 H new ATOM 0 HA TYR A 9 3.719 9.689 2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.378 7.738 3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.201 7.360 2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.496 9.719 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.024 6.295 2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.294 9.481 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.770 6.007 1.143 1.00 0.00 H new ATOM 0 HH TYR A 9 9.571 6.730 -0.859 1.00 0.00 H new ATOM 112 N GLY A 10 3.910 9.553 5.561 1.00 0.00 N ATOM 113 CA GLY A 10 3.169 9.638 6.807 1.00 0.00 C ATOM 114 C GLY A 10 2.427 10.966 6.964 1.00 0.00 C ATOM 115 O GLY A 10 1.731 11.159 7.962 1.00 0.00 O ATOM 0 H GLY A 10 4.919 9.615 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.452 8.818 6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.856 9.510 7.643 1.00 0.00 H new ATOM 119 N ARG A 11 2.540 11.890 6.003 1.00 0.00 N ATOM 120 CA ARG A 11 1.646 13.039 5.922 1.00 0.00 C ATOM 121 C ARG A 11 0.256 12.636 5.452 1.00 0.00 C ATOM 122 O ARG A 11 -0.674 13.428 5.561 1.00 0.00 O ATOM 123 CB ARG A 11 2.183 14.094 4.952 1.00 0.00 C ATOM 124 CG ARG A 11 3.577 14.630 5.285 1.00 0.00 C ATOM 125 CD ARG A 11 3.543 16.032 5.887 1.00 0.00 C ATOM 126 NE ARG A 11 2.807 16.101 7.168 1.00 0.00 N ATOM 127 CZ ARG A 11 3.084 15.468 8.317 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.184 14.741 8.464 1.00 0.00 N ATOM 129 NH2 ARG A 11 2.265 15.554 9.356 1.00 0.00 N ATOM 0 H ARG A 11 3.248 11.859 5.269 1.00 0.00 H new ATOM 0 HA ARG A 11 1.589 13.452 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.205 13.666 3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.485 14.931 4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.065 13.951 5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.182 14.643 4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.565 16.377 6.044 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.082 16.715 5.174 1.00 0.00 H new ATOM 0 HE ARG A 11 1.986 16.706 7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.844 14.653 7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.370 14.270 9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.411 16.107 9.288 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.489 15.067 10.224 1.00 0.00 H new ATOM 143 N TYR A 12 0.146 11.444 4.871 1.00 0.00 N ATOM 144 CA TYR A 12 -1.028 10.971 4.176 1.00 0.00 C ATOM 145 C TYR A 12 -1.446 9.669 4.833 1.00 0.00 C ATOM 146 O TYR A 12 -2.577 9.532 5.288 1.00 0.00 O ATOM 147 CB TYR A 12 -0.685 10.787 2.681 1.00 0.00 C ATOM 148 CG TYR A 12 0.114 11.934 2.089 1.00 0.00 C ATOM 149 CD1 TYR A 12 -0.334 13.256 2.251 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.381 11.693 1.524 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.504 14.324 1.902 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.200 12.760 1.109 1.00 0.00 C ATOM 153 CZ TYR A 12 1.769 14.090 1.324 1.00 0.00 C ATOM 154 OH TYR A 12 2.551 15.165 1.031 1.00 0.00 O ATOM 0 H TYR A 12 0.905 10.763 4.877 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.855 11.679 4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.121 9.862 2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.611 10.672 2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.322 13.449 2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.729 10.677 1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.177 15.338 2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.149 12.565 0.631 1.00 0.00 H new ATOM 0 HH TYR A 12 3.395 14.858 0.639 1.00 0.00 H new ATOM 164 N PHE A 13 -0.553 8.684 4.821 1.00 0.00 N ATOM 165 CA PHE A 13 -0.857 7.360 5.339 1.00 0.00 C ATOM 166 C PHE A 13 -0.706 7.417 6.854 1.00 0.00 C ATOM 167 O PHE A 13 0.087 8.200 7.375 1.00 0.00 O ATOM 168 CB PHE A 13 0.059 6.306 4.715 1.00 0.00 C ATOM 169 CG PHE A 13 -0.186 6.064 3.233 1.00 0.00 C ATOM 170 CD1 PHE A 13 0.408 6.888 2.258 1.00 0.00 C ATOM 171 CD2 PHE A 13 -1.013 5.000 2.821 1.00 0.00 C ATOM 172 CE1 PHE A 13 0.156 6.662 0.894 1.00 0.00 C ATOM 173 CE2 PHE A 13 -1.194 4.726 1.452 1.00 0.00 C ATOM 174 CZ PHE A 13 -0.610 5.554 0.486 1.00 0.00 C ATOM 0 H PHE A 13 0.394 8.782 4.454 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.875 7.069 5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.095 6.613 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.070 5.366 5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.059 7.696 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.511 4.391 3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.552 7.342 0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.785 3.875 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.746 5.344 -0.565 1.00 0.00 H new ATOM 184 N GLU A 14 -1.423 6.560 7.570 1.00 0.00 N ATOM 185 CA GLU A 14 -1.375 6.480 9.019 1.00 0.00 C ATOM 186 C GLU A 14 -1.413 5.006 9.401 1.00 0.00 C ATOM 187 O GLU A 14 -1.899 4.183 8.630 1.00 0.00 O ATOM 188 CB GLU A 14 -2.553 7.268 9.605 1.00 0.00 C ATOM 189 CG GLU A 14 -2.534 7.254 11.135 1.00 0.00 C ATOM 190 CD GLU A 14 -3.479 8.294 11.717 1.00 0.00 C ATOM 191 OE1 GLU A 14 -4.710 8.121 11.576 1.00 0.00 O ATOM 192 OE2 GLU A 14 -2.972 9.244 12.356 1.00 0.00 O ATOM 0 H GLU A 14 -2.066 5.889 7.149 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.463 6.920 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.516 8.298 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.490 6.841 9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.816 6.264 11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.521 7.444 11.488 1.00 0.00 H new ATOM 199 N GLN A 15 -0.929 4.685 10.598 1.00 0.00 N ATOM 200 CA GLN A 15 -0.733 3.334 11.107 1.00 0.00 C ATOM 201 C GLN A 15 -1.981 2.460 11.062 1.00 0.00 C ATOM 202 O GLN A 15 -1.856 1.241 11.086 1.00 0.00 O ATOM 203 CB GLN A 15 -0.230 3.442 12.550 1.00 0.00 C ATOM 204 CG GLN A 15 0.447 2.135 12.973 1.00 0.00 C ATOM 205 CD GLN A 15 0.975 2.131 14.402 1.00 0.00 C ATOM 206 OE1 GLN A 15 1.474 3.134 14.909 1.00 0.00 O ATOM 207 NE2 GLN A 15 0.890 0.998 15.077 1.00 0.00 N ATOM 0 H GLN A 15 -0.649 5.398 11.272 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.010 2.843 10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.474 4.269 12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.063 3.661 13.218 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.266 1.318 12.860 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.274 1.932 12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.473 0.175 14.642 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.241 0.946 16.033 1.00 0.00 H new ATOM 216 N LEU A 16 -3.161 3.061 11.027 1.00 0.00 N ATOM 217 CA LEU A 16 -4.430 2.361 11.132 1.00 0.00 C ATOM 218 C LEU A 16 -5.372 2.711 9.982 1.00 0.00 C ATOM 219 O LEU A 16 -6.550 2.358 10.010 1.00 0.00 O ATOM 220 CB LEU A 16 -5.055 2.627 12.505 1.00 0.00 C ATOM 221 CG LEU A 16 -4.445 1.712 13.586 1.00 0.00 C ATOM 222 CD1 LEU A 16 -3.154 2.229 14.199 1.00 0.00 C ATOM 223 CD2 LEU A 16 -5.502 1.498 14.668 1.00 0.00 C ATOM 0 H LEU A 16 -3.264 4.070 10.923 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.247 1.290 11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.902 3.670 12.780 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.132 2.465 12.454 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.164 0.777 13.102 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.798 1.522 14.948 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.401 2.342 13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.336 3.195 14.670 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.098 0.853 15.448 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.780 2.459 15.100 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.382 1.029 14.229 1.00 0.00 H new ATOM 235 N GLN A 17 -4.890 3.438 8.971 1.00 0.00 N ATOM 236 CA GLN A 17 -5.687 3.659 7.773 1.00 0.00 C ATOM 237 C GLN A 17 -5.795 2.380 6.946 1.00 0.00 C ATOM 238 O GLN A 17 -5.049 1.424 7.140 1.00 0.00 O ATOM 239 CB GLN A 17 -5.149 4.838 6.945 1.00 0.00 C ATOM 240 CG GLN A 17 -6.133 6.016 7.014 1.00 0.00 C ATOM 241 CD GLN A 17 -6.162 6.851 5.745 1.00 0.00 C ATOM 242 OE1 GLN A 17 -7.181 6.880 5.051 1.00 0.00 O ATOM 243 NE2 GLN A 17 -5.052 7.477 5.396 1.00 0.00 N ATOM 0 H GLN A 17 -3.968 3.875 8.961 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.695 3.931 8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.174 5.145 7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.007 4.531 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.134 5.633 7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.865 6.655 7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.229 7.429 5.997 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.018 8.008 4.526 1.00 0.00 H new ATOM 252 N LYS A 18 -6.718 2.376 5.986 1.00 0.00 N ATOM 253 CA LYS A 18 -6.804 1.314 4.983 1.00 0.00 C ATOM 254 C LYS A 18 -6.048 1.710 3.722 1.00 0.00 C ATOM 255 O LYS A 18 -5.831 2.897 3.476 1.00 0.00 O ATOM 256 CB LYS A 18 -8.268 0.982 4.648 1.00 0.00 C ATOM 257 CG LYS A 18 -8.889 -0.015 5.636 1.00 0.00 C ATOM 258 CD LYS A 18 -9.746 0.643 6.724 1.00 0.00 C ATOM 259 CE LYS A 18 -11.131 0.974 6.160 1.00 0.00 C ATOM 260 NZ LYS A 18 -12.022 1.558 7.180 1.00 0.00 N ATOM 0 H LYS A 18 -7.424 3.104 5.881 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.343 0.419 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.854 1.901 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.322 0.570 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.504 -0.725 5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.091 -0.586 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.841 -0.026 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.262 1.552 7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.026 1.672 5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.585 0.067 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.948 1.766 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.144 0.883 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.603 2.437 7.544 1.00 0.00 H new ATOM 274 N VAL A 19 -5.692 0.719 2.904 1.00 0.00 N ATOM 275 CA VAL A 19 -5.089 0.896 1.582 1.00 0.00 C ATOM 276 C VAL A 19 -5.643 -0.167 0.628 1.00 0.00 C ATOM 277 O VAL A 19 -6.215 -1.163 1.086 1.00 0.00 O ATOM 278 CB VAL A 19 -3.551 0.824 1.676 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.989 1.914 2.595 1.00 0.00 C ATOM 280 CG2 VAL A 19 -3.025 -0.535 2.166 1.00 0.00 C ATOM 0 H VAL A 19 -5.820 -0.262 3.152 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.345 1.881 1.192 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.207 0.974 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.903 1.831 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.264 2.895 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.400 1.793 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.936 -0.510 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.421 -0.741 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.345 -1.318 1.479 1.00 0.00 H new ATOM 290 N ASN A 20 -5.489 0.030 -0.686 1.00 0.00 N ATOM 291 CA ASN A 20 -5.661 -1.021 -1.682 1.00 0.00 C ATOM 292 C ASN A 20 -4.407 -1.893 -1.758 1.00 0.00 C ATOM 293 O ASN A 20 -3.322 -1.429 -1.402 1.00 0.00 O ATOM 294 CB ASN A 20 -5.918 -0.382 -3.060 1.00 0.00 C ATOM 295 CG ASN A 20 -6.648 -1.322 -4.003 1.00 0.00 C ATOM 296 OD1 ASN A 20 -7.729 -1.916 -3.541 1.00 0.00 O flip ATOM 297 ND2 ASN A 20 -6.297 -1.460 -5.168 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.239 0.934 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.509 -1.643 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.504 0.528 -2.932 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.967 -0.090 -3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.457 -0.991 -5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.845 -2.044 -5.800 1.00 0.00 H new ATOM 304 N LEU A 21 -4.545 -3.119 -2.267 1.00 0.00 N ATOM 305 CA LEU A 21 -3.516 -4.156 -2.283 1.00 0.00 C ATOM 306 C LEU A 21 -3.316 -4.710 -3.692 1.00 0.00 C ATOM 307 O LEU A 21 -3.360 -5.927 -3.880 1.00 0.00 O ATOM 308 CB LEU A 21 -3.868 -5.315 -1.342 1.00 0.00 C ATOM 309 CG LEU A 21 -4.144 -4.984 0.118 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.460 -6.326 0.773 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.934 -4.324 0.787 1.00 0.00 C ATOM 0 H LEU A 21 -5.416 -3.428 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.594 -3.687 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.748 -5.817 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.049 -6.033 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.962 -4.271 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.671 -6.173 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.330 -6.771 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.605 -6.993 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.170 -4.103 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.080 -5.001 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.690 -3.398 0.266 1.00 0.00 H new ATOM 323 N THR A 22 -3.107 -3.851 -4.688 1.00 0.00 N ATOM 324 CA THR A 22 -2.699 -4.335 -6.001 1.00 0.00 C ATOM 325 C THR A 22 -1.382 -5.090 -5.842 1.00 0.00 C ATOM 326 O THR A 22 -0.426 -4.529 -5.294 1.00 0.00 O ATOM 327 CB THR A 22 -2.543 -3.180 -6.991 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.769 -2.489 -7.102 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.090 -3.667 -8.375 1.00 0.00 C ATOM 0 H THR A 22 -3.211 -2.839 -4.613 1.00 0.00 H new ATOM 0 HA THR A 22 -3.466 -4.998 -6.401 1.00 0.00 H new ATOM 0 HB THR A 22 -1.770 -2.513 -6.610 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.434 -3.069 -7.530 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.992 -2.814 -9.047 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.128 -4.172 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.828 -4.362 -8.776 1.00 0.00 H new ATOM 337 N VAL A 23 -1.340 -6.327 -6.329 1.00 0.00 N ATOM 338 CA VAL A 23 -0.145 -7.151 -6.492 1.00 0.00 C ATOM 339 C VAL A 23 -0.181 -7.665 -7.923 1.00 0.00 C ATOM 340 O VAL A 23 -1.156 -8.326 -8.272 1.00 0.00 O ATOM 341 CB VAL A 23 -0.178 -8.345 -5.513 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.070 -9.227 -5.616 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.287 -7.938 -4.048 1.00 0.00 C ATOM 0 H VAL A 23 -2.185 -6.808 -6.638 1.00 0.00 H new ATOM 0 HA VAL A 23 0.759 -6.578 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.073 -8.888 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.993 -10.050 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.151 -9.626 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.955 -8.633 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.305 -8.831 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.570 -7.322 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.205 -7.370 -3.895 1.00 0.00 H new ATOM 353 N ARG A 24 0.822 -7.392 -8.768 1.00 0.00 N ATOM 354 CA ARG A 24 0.870 -8.025 -10.083 1.00 0.00 C ATOM 355 C ARG A 24 1.033 -9.537 -9.896 1.00 0.00 C ATOM 356 O ARG A 24 1.817 -9.972 -9.053 1.00 0.00 O ATOM 357 CB ARG A 24 1.974 -7.395 -10.953 1.00 0.00 C ATOM 358 CG ARG A 24 3.341 -8.074 -10.794 1.00 0.00 C ATOM 359 CD ARG A 24 4.474 -7.307 -11.479 1.00 0.00 C ATOM 360 NE ARG A 24 5.780 -7.757 -10.972 1.00 0.00 N ATOM 361 CZ ARG A 24 6.425 -8.889 -11.261 1.00 0.00 C ATOM 362 NH1 ARG A 24 6.050 -9.692 -12.250 1.00 0.00 N ATOM 363 NH2 ARG A 24 7.470 -9.219 -10.526 1.00 0.00 N ATOM 0 H ARG A 24 1.591 -6.753 -8.568 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.062 -7.855 -10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.673 -7.443 -11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.069 -6.340 -10.697 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.568 -8.176 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.290 -9.081 -11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.424 -7.458 -12.557 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.357 -6.238 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 24 6.249 -7.128 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.241 -9.452 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.571 -10.548 -12.437 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.766 -8.614 -9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.982 -10.079 -10.724 1.00 0.00 H new ATOM 377 N LEU A 25 0.337 -10.338 -10.700 1.00 0.00 N ATOM 378 CA LEU A 25 0.403 -11.800 -10.657 1.00 0.00 C ATOM 379 C LEU A 25 0.922 -12.398 -11.962 1.00 0.00 C ATOM 380 O LEU A 25 0.812 -13.608 -12.181 1.00 0.00 O ATOM 381 CB LEU A 25 -0.971 -12.380 -10.299 1.00 0.00 C ATOM 382 CG LEU A 25 -1.484 -12.016 -8.897 1.00 0.00 C ATOM 383 CD1 LEU A 25 -2.724 -12.868 -8.655 1.00 0.00 C ATOM 384 CD2 LEU A 25 -0.452 -12.184 -7.784 1.00 0.00 C ATOM 0 H LEU A 25 -0.301 -9.984 -11.413 1.00 0.00 H new ATOM 0 HA LEU A 25 1.119 -12.072 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.697 -12.036 -11.036 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.923 -13.466 -10.381 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.714 -10.951 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.130 -12.647 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.473 -12.644 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.457 -13.923 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.898 -11.905 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.127 -13.224 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.407 -11.543 -7.984 1.00 0.00 H new ATOM 396 N GLY A 26 1.457 -11.560 -12.848 1.00 0.00 N ATOM 397 CA GLY A 26 2.062 -11.970 -14.093 1.00 0.00 C ATOM 398 C GLY A 26 1.453 -11.154 -15.207 1.00 0.00 C ATOM 399 O GLY A 26 1.744 -9.963 -15.332 1.00 0.00 O ATOM 0 H GLY A 26 1.477 -10.550 -12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.141 -11.820 -14.058 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.894 -13.033 -14.265 1.00 0.00 H new ATOM 403 N ASP A 27 0.584 -11.773 -16.000 1.00 0.00 N ATOM 404 CA ASP A 27 0.249 -11.278 -17.329 1.00 0.00 C ATOM 405 C ASP A 27 -1.159 -10.716 -17.297 1.00 0.00 C ATOM 406 O ASP A 27 -1.309 -9.492 -17.272 1.00 0.00 O ATOM 407 CB ASP A 27 0.477 -12.374 -18.375 1.00 0.00 C ATOM 408 CG ASP A 27 1.963 -12.722 -18.412 1.00 0.00 C ATOM 409 OD1 ASP A 27 2.758 -11.886 -18.906 1.00 0.00 O ATOM 410 OD2 ASP A 27 2.360 -13.729 -17.789 1.00 0.00 O ATOM 0 H ASP A 27 0.094 -12.629 -15.740 1.00 0.00 H new ATOM 0 HA ASP A 27 0.905 -10.461 -17.628 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.111 -13.258 -18.129 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.145 -12.034 -19.356 1.00 0.00 H new ATOM 415 N THR A 28 -2.181 -11.566 -17.203 1.00 0.00 N ATOM 416 CA THR A 28 -3.557 -11.151 -16.976 1.00 0.00 C ATOM 417 C THR A 28 -3.985 -11.731 -15.636 1.00 0.00 C ATOM 418 O THR A 28 -4.506 -12.844 -15.561 1.00 0.00 O ATOM 419 CB THR A 28 -4.470 -11.475 -18.178 1.00 0.00 C ATOM 420 OG1 THR A 28 -5.826 -11.189 -17.867 1.00 0.00 O ATOM 421 CG2 THR A 28 -4.378 -12.909 -18.711 1.00 0.00 C ATOM 0 H THR A 28 -2.070 -12.577 -17.284 1.00 0.00 H new ATOM 0 HA THR A 28 -3.647 -10.067 -16.909 1.00 0.00 H new ATOM 0 HB THR A 28 -4.098 -10.832 -18.975 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.390 -11.399 -18.640 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.059 -13.028 -19.553 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.358 -13.111 -19.038 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.651 -13.609 -17.921 1.00 0.00 H new ATOM 429 N GLY A 29 -3.712 -10.976 -14.578 1.00 0.00 N ATOM 430 CA GLY A 29 -4.316 -11.158 -13.279 1.00 0.00 C ATOM 431 C GLY A 29 -4.183 -9.855 -12.551 1.00 0.00 C ATOM 432 O GLY A 29 -4.872 -8.877 -12.850 1.00 0.00 O ATOM 0 H GLY A 29 -3.047 -10.203 -14.609 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.364 -11.441 -13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.820 -11.959 -12.731 1.00 0.00 H new ATOM 436 N SER A 30 -3.205 -9.874 -11.661 1.00 0.00 N ATOM 437 CA SER A 30 -3.105 -9.074 -10.471 1.00 0.00 C ATOM 438 C SER A 30 -4.172 -9.480 -9.451 1.00 0.00 C ATOM 439 O SER A 30 -5.289 -9.848 -9.815 1.00 0.00 O ATOM 440 CB SER A 30 -3.110 -7.581 -10.762 1.00 0.00 C ATOM 441 OG SER A 30 -2.182 -7.236 -11.779 1.00 0.00 O ATOM 0 H SER A 30 -2.405 -10.498 -11.768 1.00 0.00 H new ATOM 0 HA SER A 30 -2.131 -9.276 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.111 -7.274 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.870 -7.033 -9.851 1.00 0.00 H new ATOM 0 HG SER A 30 -2.216 -6.270 -11.939 1.00 0.00 H new ATOM 447 N PHE A 31 -3.806 -9.459 -8.173 1.00 0.00 N ATOM 448 CA PHE A 31 -4.738 -9.479 -7.063 1.00 0.00 C ATOM 449 C PHE A 31 -4.916 -8.029 -6.658 1.00 0.00 C ATOM 450 O PHE A 31 -3.933 -7.290 -6.687 1.00 0.00 O ATOM 451 CB PHE A 31 -4.155 -10.305 -5.909 1.00 0.00 C ATOM 452 CG PHE A 31 -4.937 -10.202 -4.610 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.158 -10.888 -4.465 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.457 -9.404 -3.554 1.00 0.00 C ATOM 455 CE1 PHE A 31 -6.893 -10.780 -3.270 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.190 -9.304 -2.356 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.408 -9.992 -2.213 1.00 0.00 C ATOM 0 H PHE A 31 -2.830 -9.427 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.692 -9.934 -7.330 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.112 -11.351 -6.212 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.129 -9.983 -5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.532 -11.499 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.526 -8.868 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.832 -11.304 -3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.816 -8.697 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.969 -9.915 -1.293 1.00 0.00 H new ATOM 467 N ASP A 32 -6.113 -7.611 -6.262 1.00 0.00 N ATOM 468 CA ASP A 32 -6.350 -6.307 -5.707 1.00 0.00 C ATOM 469 C ASP A 32 -7.322 -6.470 -4.532 1.00 0.00 C ATOM 470 O ASP A 32 -8.528 -6.638 -4.733 1.00 0.00 O ATOM 471 CB ASP A 32 -6.906 -5.339 -6.755 1.00 0.00 C ATOM 472 CG ASP A 32 -6.176 -5.176 -8.091 1.00 0.00 C ATOM 473 OD1 ASP A 32 -5.239 -4.348 -8.167 1.00 0.00 O ATOM 474 OD2 ASP A 32 -6.643 -5.730 -9.114 1.00 0.00 O ATOM 0 H ASP A 32 -6.952 -8.187 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.410 -5.876 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.928 -5.648 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.964 -4.354 -6.292 1.00 0.00 H new ATOM 479 N GLY A 33 -6.824 -6.430 -3.297 1.00 0.00 N ATOM 480 CA GLY A 33 -7.627 -6.556 -2.076 1.00 0.00 C ATOM 481 C GLY A 33 -7.563 -5.305 -1.205 1.00 0.00 C ATOM 482 O GLY A 33 -7.001 -4.280 -1.601 1.00 0.00 O ATOM 0 H GLY A 33 -5.829 -6.306 -3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.664 -6.755 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.277 -7.414 -1.501 1.00 0.00 H new ATOM 486 N THR A 34 -8.121 -5.396 -0.003 1.00 0.00 N ATOM 487 CA THR A 34 -8.115 -4.371 1.028 1.00 0.00 C ATOM 488 C THR A 34 -7.223 -4.856 2.168 1.00 0.00 C ATOM 489 O THR A 34 -7.249 -6.037 2.514 1.00 0.00 O ATOM 490 CB THR A 34 -9.549 -4.180 1.560 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.515 -4.187 0.524 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.678 -2.871 2.332 1.00 0.00 C ATOM 0 H THR A 34 -8.618 -6.237 0.292 1.00 0.00 H new ATOM 0 HA THR A 34 -7.747 -3.427 0.626 1.00 0.00 H new ATOM 0 HB THR A 34 -9.739 -5.026 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.655 -5.106 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.700 -2.762 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.991 -2.878 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.436 -2.036 1.675 1.00 0.00 H new ATOM 500 N ALA A 35 -6.496 -3.951 2.827 1.00 0.00 N ATOM 501 CA ALA A 35 -6.029 -4.216 4.178 1.00 0.00 C ATOM 502 C ALA A 35 -6.159 -2.988 5.047 1.00 0.00 C ATOM 503 O ALA A 35 -6.207 -1.859 4.549 1.00 0.00 O ATOM 504 CB ALA A 35 -4.569 -4.663 4.221 1.00 0.00 C ATOM 0 H ALA A 35 -6.224 -3.043 2.449 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.659 -5.023 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.275 -4.847 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.452 -5.579 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.937 -3.883 3.797 1.00 0.00 H new ATOM 510 N ALA A 36 -6.120 -3.243 6.352 1.00 0.00 N ATOM 511 CA ALA A 36 -5.803 -2.261 7.361 1.00 0.00 C ATOM 512 C ALA A 36 -4.282 -2.211 7.495 1.00 0.00 C ATOM 513 O ALA A 36 -3.638 -3.264 7.500 1.00 0.00 O ATOM 514 CB ALA A 36 -6.442 -2.744 8.659 1.00 0.00 C ATOM 0 H ALA A 36 -6.315 -4.167 6.738 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.172 -1.265 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.230 -2.032 9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.520 -2.827 8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.033 -3.719 8.925 1.00 0.00 H new ATOM 520 N ILE A 37 -3.707 -1.014 7.612 1.00 0.00 N ATOM 521 CA ILE A 37 -2.358 -0.824 8.128 1.00 0.00 C ATOM 522 C ILE A 37 -2.394 -1.256 9.612 1.00 0.00 C ATOM 523 O ILE A 37 -3.447 -1.247 10.258 1.00 0.00 O ATOM 524 CB ILE A 37 -1.895 0.644 7.884 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.966 1.020 6.379 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.438 0.898 8.331 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.837 2.518 6.071 1.00 0.00 C ATOM 0 H ILE A 37 -4.171 -0.145 7.348 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.613 -1.432 7.615 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.577 1.252 8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.175 0.488 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.914 0.663 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.173 1.937 8.136 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.344 0.694 9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.233 0.242 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.899 2.675 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.643 3.062 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.877 2.883 6.436 1.00 0.00 H new ATOM 539 N THR A 38 -1.238 -1.656 10.139 1.00 0.00 N ATOM 540 CA THR A 38 -1.015 -2.043 11.535 1.00 0.00 C ATOM 541 C THR A 38 0.275 -1.446 12.101 1.00 0.00 C ATOM 542 O THR A 38 0.426 -1.308 13.315 1.00 0.00 O ATOM 543 CB THR A 38 -0.971 -3.579 11.645 1.00 0.00 C ATOM 544 OG1 THR A 38 -0.346 -4.168 10.509 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.376 -4.154 11.737 1.00 0.00 C ATOM 0 H THR A 38 -0.389 -1.723 9.578 1.00 0.00 H new ATOM 0 HA THR A 38 -1.843 -1.648 12.123 1.00 0.00 H new ATOM 0 HB THR A 38 -0.400 -3.808 12.545 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.333 -5.143 10.611 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.320 -5.240 11.814 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.876 -3.753 12.618 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.940 -3.882 10.845 1.00 0.00 H new ATOM 553 N SER A 39 1.228 -1.079 11.247 1.00 0.00 N ATOM 554 CA SER A 39 2.470 -0.447 11.635 1.00 0.00 C ATOM 555 C SER A 39 2.964 0.385 10.461 1.00 0.00 C ATOM 556 O SER A 39 2.654 0.098 9.305 1.00 0.00 O ATOM 557 CB SER A 39 3.471 -1.517 12.044 1.00 0.00 C ATOM 558 OG SER A 39 3.324 -1.808 13.422 1.00 0.00 O ATOM 0 H SER A 39 1.147 -1.221 10.240 1.00 0.00 H new ATOM 0 HA SER A 39 2.332 0.212 12.492 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.314 -2.420 11.453 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.486 -1.175 11.841 1.00 0.00 H new ATOM 0 HG SER A 39 2.383 -1.710 13.678 1.00 0.00 H new ATOM 564 N LEU A 40 3.719 1.435 10.764 1.00 0.00 N ATOM 565 CA LEU A 40 4.131 2.466 9.824 1.00 0.00 C ATOM 566 C LEU A 40 5.395 3.091 10.395 1.00 0.00 C ATOM 567 O LEU A 40 5.385 3.529 11.544 1.00 0.00 O ATOM 568 CB LEU A 40 2.987 3.483 9.716 1.00 0.00 C ATOM 569 CG LEU A 40 3.328 4.761 8.933 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.525 4.469 7.444 1.00 0.00 C ATOM 571 CD2 LEU A 40 2.184 5.767 9.075 1.00 0.00 C ATOM 0 H LEU A 40 4.073 1.596 11.707 1.00 0.00 H new ATOM 0 HA LEU A 40 4.339 2.083 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.134 2.999 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.674 3.763 10.722 1.00 0.00 H new ATOM 0 HG LEU A 40 4.255 5.163 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.765 5.394 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.342 3.758 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.609 4.046 7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.426 6.673 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.266 5.333 8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.044 6.013 10.128 1.00 0.00 H new ATOM 583 N LYS A 41 6.499 3.071 9.654 1.00 0.00 N ATOM 584 CA LYS A 41 7.739 3.724 10.043 1.00 0.00 C ATOM 585 C LYS A 41 8.416 4.248 8.775 1.00 0.00 C ATOM 586 O LYS A 41 9.344 3.627 8.251 1.00 0.00 O ATOM 587 CB LYS A 41 8.598 2.746 10.873 1.00 0.00 C ATOM 588 CG LYS A 41 9.644 3.471 11.742 1.00 0.00 C ATOM 589 CD LYS A 41 9.418 3.279 13.254 1.00 0.00 C ATOM 590 CE LYS A 41 9.909 1.902 13.729 1.00 0.00 C ATOM 591 NZ LYS A 41 9.672 1.691 15.176 1.00 0.00 N ATOM 0 H LYS A 41 6.555 2.593 8.754 1.00 0.00 H new ATOM 0 HA LYS A 41 7.569 4.583 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.948 2.150 11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.105 2.053 10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.638 3.108 11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.623 4.536 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.941 4.062 13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.357 3.386 13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.401 1.122 13.162 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.974 1.806 13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.019 0.750 15.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.177 2.419 15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.653 1.756 15.374 1.00 0.00 H new ATOM 605 N GLY A 42 7.958 5.389 8.263 1.00 0.00 N ATOM 606 CA GLY A 42 8.523 6.011 7.075 1.00 0.00 C ATOM 607 C GLY A 42 8.118 5.245 5.825 1.00 0.00 C ATOM 608 O GLY A 42 7.005 4.730 5.727 1.00 0.00 O ATOM 0 H GLY A 42 7.179 5.909 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.182 7.044 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.610 6.039 7.155 1.00 0.00 H new ATOM 612 N SER A 43 9.062 5.103 4.898 1.00 0.00 N ATOM 613 CA SER A 43 9.043 4.234 3.721 1.00 0.00 C ATOM 614 C SER A 43 8.737 2.776 4.016 1.00 0.00 C ATOM 615 O SER A 43 8.683 2.026 3.058 1.00 0.00 O ATOM 616 CB SER A 43 10.356 4.403 2.934 1.00 0.00 C ATOM 617 OG SER A 43 11.440 4.835 3.747 1.00 0.00 O ATOM 0 H SER A 43 9.931 5.635 4.954 1.00 0.00 H new ATOM 0 HA SER A 43 8.204 4.558 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.617 3.454 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.202 5.124 2.131 1.00 0.00 H new ATOM 0 HG SER A 43 12.246 4.924 3.197 1.00 0.00 H new ATOM 623 N LEU A 44 8.469 2.369 5.254 1.00 0.00 N ATOM 624 CA LEU A 44 7.994 1.040 5.595 1.00 0.00 C ATOM 625 C LEU A 44 6.609 1.164 6.217 1.00 0.00 C ATOM 626 O LEU A 44 6.439 1.931 7.159 1.00 0.00 O ATOM 627 CB LEU A 44 8.966 0.381 6.577 1.00 0.00 C ATOM 628 CG LEU A 44 8.729 -1.141 6.677 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.480 -1.886 5.565 1.00 0.00 C ATOM 630 CD2 LEU A 44 9.168 -1.669 8.044 1.00 0.00 C ATOM 0 H LEU A 44 8.581 2.975 6.067 1.00 0.00 H new ATOM 0 HA LEU A 44 7.936 0.419 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.991 0.570 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.851 0.833 7.562 1.00 0.00 H new ATOM 0 HG LEU A 44 7.660 -1.320 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.297 -2.957 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.128 -1.540 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.549 -1.691 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.992 -2.744 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.230 -1.468 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.595 -1.172 8.827 1.00 0.00 H new ATOM 642 N ALA A 45 5.640 0.367 5.785 1.00 0.00 N ATOM 643 CA ALA A 45 4.415 0.105 6.540 1.00 0.00 C ATOM 644 C ALA A 45 4.199 -1.408 6.594 1.00 0.00 C ATOM 645 O ALA A 45 4.907 -2.147 5.915 1.00 0.00 O ATOM 646 CB ALA A 45 3.234 0.838 5.898 1.00 0.00 C ATOM 0 H ALA A 45 5.680 -0.122 4.891 1.00 0.00 H new ATOM 0 HA ALA A 45 4.500 0.480 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.327 0.636 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.429 1.910 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.103 0.490 4.873 1.00 0.00 H new ATOM 652 N TRP A 46 3.227 -1.859 7.382 1.00 0.00 N ATOM 653 CA TRP A 46 2.735 -3.235 7.435 1.00 0.00 C ATOM 654 C TRP A 46 1.220 -3.229 7.429 1.00 0.00 C ATOM 655 O TRP A 46 0.612 -2.362 8.067 1.00 0.00 O ATOM 656 CB TRP A 46 3.182 -3.944 8.715 1.00 0.00 C ATOM 657 CG TRP A 46 4.540 -4.547 8.653 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.705 -3.867 8.657 1.00 0.00 C ATOM 659 CD2 TRP A 46 4.883 -5.959 8.513 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.739 -4.763 8.525 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.297 -6.062 8.423 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.150 -7.161 8.434 1.00 0.00 C ATOM 663 CZ2 TRP A 46 6.961 -7.283 8.242 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.802 -8.392 8.247 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.203 -8.458 8.140 1.00 0.00 C ATOM 0 H TRP A 46 2.736 -1.246 8.033 1.00 0.00 H new ATOM 0 HA TRP A 46 3.139 -3.759 6.569 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.154 -3.230 9.538 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.462 -4.728 8.949 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.808 -2.796 8.749 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.723 -4.495 8.505 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.074 -7.135 8.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.039 -7.318 8.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.220 -9.299 8.185 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.692 -9.408 7.980 1.00 0.00 H new ATOM 676 N LEU A 47 0.626 -4.222 6.767 1.00 0.00 N ATOM 677 CA LEU A 47 -0.811 -4.418 6.675 1.00 0.00 C ATOM 678 C LEU A 47 -1.195 -5.786 7.263 1.00 0.00 C ATOM 679 O LEU A 47 -0.316 -6.524 7.722 1.00 0.00 O ATOM 680 CB LEU A 47 -1.316 -4.266 5.229 1.00 0.00 C ATOM 681 CG LEU A 47 -0.655 -3.316 4.214 1.00 0.00 C ATOM 682 CD1 LEU A 47 -0.693 -1.858 4.669 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.751 -3.712 3.757 1.00 0.00 C ATOM 0 H LEU A 47 1.156 -4.934 6.264 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.299 -3.639 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.292 -5.261 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.363 -3.971 5.295 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.280 -3.422 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.214 -1.230 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.729 -1.544 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.163 -1.759 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.123 -2.976 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.417 -3.750 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.716 -4.692 3.282 1.00 0.00 H new ATOM 695 N GLU A 48 -2.493 -6.109 7.308 1.00 0.00 N ATOM 696 CA GLU A 48 -2.999 -7.354 7.899 1.00 0.00 C ATOM 697 C GLU A 48 -4.202 -7.976 7.193 1.00 0.00 C ATOM 698 O GLU A 48 -5.055 -8.601 7.827 1.00 0.00 O ATOM 699 CB GLU A 48 -3.289 -7.120 9.389 1.00 0.00 C ATOM 700 CG GLU A 48 -4.502 -6.211 9.677 1.00 0.00 C ATOM 701 CD GLU A 48 -5.182 -6.608 10.990 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.581 -6.412 12.072 1.00 0.00 O ATOM 703 OE2 GLU A 48 -6.264 -7.240 10.962 1.00 0.00 O ATOM 0 H GLU A 48 -3.228 -5.509 6.932 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.210 -8.095 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.454 -8.085 9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.405 -6.681 9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.178 -5.172 9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.217 -6.281 8.857 1.00 0.00 H new ATOM 710 N LEU A 49 -4.270 -7.802 5.877 1.00 0.00 N ATOM 711 CA LEU A 49 -5.479 -7.988 5.090 1.00 0.00 C ATOM 712 C LEU A 49 -6.698 -7.286 5.700 1.00 0.00 C ATOM 713 O LEU A 49 -6.600 -6.457 6.614 1.00 0.00 O ATOM 714 CB LEU A 49 -5.702 -9.496 4.829 1.00 0.00 C ATOM 715 CG LEU A 49 -5.226 -9.876 3.426 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.365 -11.380 3.228 1.00 0.00 C ATOM 717 CD2 LEU A 49 -6.085 -9.241 2.318 1.00 0.00 C ATOM 0 H LEU A 49 -3.465 -7.521 5.317 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.344 -7.500 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.163 -10.083 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.759 -9.737 4.938 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.196 -9.526 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.025 -11.648 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.760 -11.902 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.410 -11.667 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.703 -9.544 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.118 -9.574 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.043 -8.155 2.403 1.00 0.00 H new ATOM 729 N PHE A 50 -7.855 -7.538 5.105 1.00 0.00 N ATOM 730 CA PHE A 50 -9.150 -7.308 5.711 1.00 0.00 C ATOM 731 C PHE A 50 -9.660 -8.628 6.259 1.00 0.00 C ATOM 732 O PHE A 50 -9.906 -8.755 7.462 1.00 0.00 O ATOM 733 CB PHE A 50 -10.101 -6.714 4.661 1.00 0.00 C ATOM 734 CG PHE A 50 -10.608 -5.326 4.962 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.823 -4.391 5.664 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.892 -4.972 4.518 1.00 0.00 C ATOM 737 CE1 PHE A 50 -10.343 -3.128 5.967 1.00 0.00 C ATOM 738 CE2 PHE A 50 -12.392 -3.685 4.772 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.625 -2.770 5.510 1.00 0.00 C ATOM 0 H PHE A 50 -7.916 -7.919 4.161 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.082 -6.596 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.588 -6.695 3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.957 -7.380 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.819 -4.649 5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.495 -5.690 3.981 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.762 -2.429 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.365 -3.399 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.020 -1.789 5.728 1.00 0.00 H new ATOM 749 N GLY A 51 -9.835 -9.607 5.379 1.00 0.00 N ATOM 750 CA GLY A 51 -10.608 -10.792 5.656 1.00 0.00 C ATOM 751 C GLY A 51 -11.543 -11.052 4.488 1.00 0.00 C ATOM 752 O GLY A 51 -11.715 -10.185 3.629 1.00 0.00 O ATOM 0 H GLY A 51 -9.434 -9.591 4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.948 -11.646 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.179 -10.663 6.575 1.00 0.00 H new ATOM 756 N ALA A 52 -12.186 -12.221 4.504 1.00 0.00 N ATOM 757 CA ALA A 52 -12.962 -12.806 3.421 1.00 0.00 C ATOM 758 C ALA A 52 -12.066 -13.098 2.214 1.00 0.00 C ATOM 759 O ALA A 52 -11.797 -14.267 1.929 1.00 0.00 O ATOM 760 CB ALA A 52 -14.195 -11.955 3.085 1.00 0.00 C ATOM 0 H ALA A 52 -12.175 -12.819 5.330 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.358 -13.767 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.750 -12.423 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.835 -11.879 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.877 -10.958 2.780 1.00 0.00 H new ATOM 766 N GLU A 53 -11.601 -12.053 1.533 1.00 0.00 N ATOM 767 CA GLU A 53 -10.609 -12.129 0.476 1.00 0.00 C ATOM 768 C GLU A 53 -9.239 -12.448 1.085 1.00 0.00 C ATOM 769 O GLU A 53 -8.881 -11.927 2.144 1.00 0.00 O ATOM 770 CB GLU A 53 -10.606 -10.811 -0.333 1.00 0.00 C ATOM 771 CG GLU A 53 -10.066 -9.574 0.420 1.00 0.00 C ATOM 772 CD GLU A 53 -10.360 -8.226 -0.263 1.00 0.00 C ATOM 773 OE1 GLU A 53 -10.778 -8.207 -1.444 1.00 0.00 O ATOM 774 OE2 GLU A 53 -10.173 -7.169 0.380 1.00 0.00 O ATOM 0 H GLU A 53 -11.918 -11.100 1.712 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.854 -12.932 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.008 -10.958 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.625 -10.601 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.495 -9.559 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.987 -9.679 0.537 1.00 0.00 H new ATOM 781 N GLN A 54 -8.458 -13.273 0.385 1.00 0.00 N ATOM 782 CA GLN A 54 -7.000 -13.277 0.427 1.00 0.00 C ATOM 783 C GLN A 54 -6.493 -13.794 -0.925 1.00 0.00 C ATOM 784 O GLN A 54 -7.237 -14.525 -1.597 1.00 0.00 O ATOM 785 CB GLN A 54 -6.454 -14.088 1.621 1.00 0.00 C ATOM 786 CG GLN A 54 -6.652 -15.612 1.641 1.00 0.00 C ATOM 787 CD GLN A 54 -5.849 -16.252 2.782 1.00 0.00 C ATOM 788 OE1 GLN A 54 -5.170 -17.267 2.617 1.00 0.00 O ATOM 789 NE2 GLN A 54 -5.893 -15.699 3.986 1.00 0.00 N ATOM 0 H GLN A 54 -8.838 -13.978 -0.246 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.629 -12.265 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.383 -13.895 1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.908 -13.686 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.710 -15.844 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.338 -16.036 0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.450 -14.859 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.370 -16.114 4.757 1.00 0.00 H new ATOM 798 N PRO A 55 -5.261 -13.451 -1.337 1.00 0.00 N ATOM 799 CA PRO A 55 -4.702 -13.961 -2.577 1.00 0.00 C ATOM 800 C PRO A 55 -4.486 -15.479 -2.503 1.00 0.00 C ATOM 801 O PRO A 55 -4.525 -16.068 -1.419 1.00 0.00 O ATOM 802 CB PRO A 55 -3.387 -13.204 -2.804 1.00 0.00 C ATOM 803 CG PRO A 55 -3.014 -12.650 -1.436 1.00 0.00 C ATOM 804 CD PRO A 55 -4.331 -12.552 -0.675 1.00 0.00 C ATOM 0 HA PRO A 55 -5.382 -13.801 -3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.611 -13.866 -3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.512 -12.404 -3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.310 -13.306 -0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.535 -11.675 -1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.197 -12.834 0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.708 -11.529 -0.683 1.00 0.00 H new ATOM 812 N PRO A 56 -4.227 -16.122 -3.651 1.00 0.00 N ATOM 813 CA PRO A 56 -3.841 -17.523 -3.696 1.00 0.00 C ATOM 814 C PRO A 56 -2.539 -17.772 -2.920 1.00 0.00 C ATOM 815 O PRO A 56 -1.703 -16.868 -2.798 1.00 0.00 O ATOM 816 CB PRO A 56 -3.699 -17.864 -5.187 1.00 0.00 C ATOM 817 CG PRO A 56 -3.494 -16.508 -5.852 1.00 0.00 C ATOM 818 CD PRO A 56 -4.300 -15.560 -4.987 1.00 0.00 C ATOM 0 HA PRO A 56 -4.584 -18.161 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.855 -18.529 -5.367 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.588 -18.367 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.441 -16.229 -5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.848 -16.509 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.887 -14.552 -5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.332 -15.491 -5.331 1.00 0.00 H new ATOM 826 N PRO A 57 -2.317 -19.021 -2.468 1.00 0.00 N ATOM 827 CA PRO A 57 -1.088 -19.414 -1.795 1.00 0.00 C ATOM 828 C PRO A 57 0.108 -19.215 -2.715 1.00 0.00 C ATOM 829 O PRO A 57 -0.059 -19.160 -3.933 1.00 0.00 O ATOM 830 CB PRO A 57 -1.260 -20.900 -1.471 1.00 0.00 C ATOM 831 CG PRO A 57 -2.272 -21.398 -2.495 1.00 0.00 C ATOM 832 CD PRO A 57 -3.166 -20.181 -2.701 1.00 0.00 C ATOM 0 HA PRO A 57 -0.909 -18.818 -0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.315 -21.436 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.621 -21.045 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.791 -21.708 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.834 -22.255 -2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.580 -20.166 -3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.009 -20.194 -2.010 1.00 0.00 H new ATOM 840 N ASN A 58 1.321 -19.193 -2.149 1.00 0.00 N ATOM 841 CA ASN A 58 2.601 -19.246 -2.871 1.00 0.00 C ATOM 842 C ASN A 58 2.739 -18.244 -4.028 1.00 0.00 C ATOM 843 O ASN A 58 3.543 -18.460 -4.940 1.00 0.00 O ATOM 844 CB ASN A 58 2.945 -20.693 -3.285 1.00 0.00 C ATOM 845 CG ASN A 58 1.957 -21.252 -4.296 1.00 0.00 C ATOM 846 OD1 ASN A 58 1.089 -22.053 -3.951 1.00 0.00 O ATOM 847 ND2 ASN A 58 2.029 -20.838 -5.543 1.00 0.00 N ATOM 0 H ASN A 58 1.444 -19.136 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 58 3.353 -18.910 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.949 -20.719 -3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.956 -21.329 -2.400 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.361 -21.181 -6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.752 -20.174 -5.819 1.00 0.00 H new ATOM 854 N THR A 59 1.957 -17.165 -4.016 1.00 0.00 N ATOM 855 CA THR A 59 1.803 -16.254 -5.146 1.00 0.00 C ATOM 856 C THR A 59 2.353 -14.860 -4.819 1.00 0.00 C ATOM 857 O THR A 59 2.866 -14.182 -5.715 1.00 0.00 O ATOM 858 CB THR A 59 0.318 -16.258 -5.548 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.055 -17.554 -5.970 1.00 0.00 O ATOM 860 CG2 THR A 59 0.013 -15.296 -6.684 1.00 0.00 C ATOM 0 H THR A 59 1.402 -16.896 -3.203 1.00 0.00 H new ATOM 0 HA THR A 59 2.393 -16.586 -6.000 1.00 0.00 H new ATOM 0 HB THR A 59 -0.243 -15.943 -4.668 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.055 -18.161 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.049 -15.342 -6.924 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.273 -14.282 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.596 -15.573 -7.562 1.00 0.00 H new ATOM 868 N LEU A 60 2.289 -14.444 -3.551 1.00 0.00 N ATOM 869 CA LEU A 60 2.905 -13.225 -3.037 1.00 0.00 C ATOM 870 C LEU A 60 4.410 -13.416 -2.932 1.00 0.00 C ATOM 871 O LEU A 60 4.853 -14.507 -2.562 1.00 0.00 O ATOM 872 CB LEU A 60 2.342 -12.933 -1.637 1.00 0.00 C ATOM 873 CG LEU A 60 1.151 -11.968 -1.686 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.364 -12.027 -0.383 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.595 -10.517 -1.905 1.00 0.00 C ATOM 0 H LEU A 60 1.789 -14.967 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 60 2.689 -12.397 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.032 -13.867 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.127 -12.508 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 60 0.531 -12.282 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.478 -11.336 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.007 -13.040 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.013 -11.747 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.719 -9.869 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.248 -10.209 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.134 -10.440 -2.849 1.00 0.00 H new ATOM 887 N SER A 61 5.196 -12.364 -3.169 1.00 0.00 N ATOM 888 CA SER A 61 6.628 -12.424 -2.914 1.00 0.00 C ATOM 889 C SER A 61 7.257 -11.117 -2.499 1.00 0.00 C ATOM 890 O SER A 61 6.743 -10.040 -2.761 1.00 0.00 O ATOM 891 CB SER A 61 7.336 -12.931 -4.150 1.00 0.00 C ATOM 892 OG SER A 61 6.982 -12.208 -5.314 1.00 0.00 O ATOM 0 H SER A 61 4.865 -11.471 -3.533 1.00 0.00 H new ATOM 0 HA SER A 61 6.744 -13.100 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.414 -12.866 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.098 -13.985 -4.295 1.00 0.00 H new ATOM 0 HG SER A 61 7.466 -12.571 -6.085 1.00 0.00 H new ATOM 898 N GLU A 62 8.448 -11.226 -1.924 1.00 0.00 N ATOM 899 CA GLU A 62 9.151 -10.145 -1.225 1.00 0.00 C ATOM 900 C GLU A 62 9.673 -9.038 -2.148 1.00 0.00 C ATOM 901 O GLU A 62 10.190 -8.019 -1.687 1.00 0.00 O ATOM 902 CB GLU A 62 10.239 -10.739 -0.319 1.00 0.00 C ATOM 903 CG GLU A 62 9.547 -11.653 0.701 1.00 0.00 C ATOM 904 CD GLU A 62 10.471 -12.218 1.764 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.177 -13.207 1.460 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.369 -11.776 2.929 1.00 0.00 O ATOM 0 H GLU A 62 8.975 -12.100 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 62 8.421 -9.631 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.962 -11.302 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.789 -9.947 0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.750 -11.093 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.076 -12.480 0.169 1.00 0.00 H new ATOM 913 N GLY A 63 9.473 -9.193 -3.451 1.00 0.00 N ATOM 914 CA GLY A 63 9.830 -8.244 -4.492 1.00 0.00 C ATOM 915 C GLY A 63 8.621 -7.833 -5.323 1.00 0.00 C ATOM 916 O GLY A 63 8.817 -7.138 -6.322 1.00 0.00 O ATOM 0 H GLY A 63 9.033 -10.032 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.277 -7.359 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.585 -8.685 -5.143 1.00 0.00 H new ATOM 920 N ALA A 64 7.398 -8.244 -4.943 1.00 0.00 N ATOM 921 CA ALA A 64 6.211 -7.929 -5.721 1.00 0.00 C ATOM 922 C ALA A 64 6.057 -6.424 -5.632 1.00 0.00 C ATOM 923 O ALA A 64 6.045 -5.881 -4.527 1.00 0.00 O ATOM 924 CB ALA A 64 4.964 -8.675 -5.210 1.00 0.00 C ATOM 0 H ALA A 64 7.217 -8.793 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 64 6.317 -8.255 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.103 -8.407 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.133 -9.750 -5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.772 -8.396 -4.174 1.00 0.00 H new ATOM 930 N GLU A 65 6.023 -5.749 -6.774 1.00 0.00 N ATOM 931 CA GLU A 65 5.627 -4.370 -6.879 1.00 0.00 C ATOM 932 C GLU A 65 4.155 -4.340 -6.482 1.00 0.00 C ATOM 933 O GLU A 65 3.296 -4.969 -7.113 1.00 0.00 O ATOM 934 CB GLU A 65 5.914 -3.791 -8.277 1.00 0.00 C ATOM 935 CG GLU A 65 5.264 -4.560 -9.433 1.00 0.00 C ATOM 936 CD GLU A 65 5.683 -4.035 -10.804 1.00 0.00 C ATOM 937 OE1 GLU A 65 6.835 -4.293 -11.225 1.00 0.00 O ATOM 938 OE2 GLU A 65 4.823 -3.479 -11.522 1.00 0.00 O ATOM 0 H GLU A 65 6.278 -6.165 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 65 6.206 -3.723 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.568 -2.758 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.993 -3.771 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.530 -5.614 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.180 -4.497 -9.341 1.00 0.00 H new ATOM 945 N VAL A 66 3.874 -3.639 -5.397 1.00 0.00 N ATOM 946 CA VAL A 66 2.536 -3.493 -4.867 1.00 0.00 C ATOM 947 C VAL A 66 2.235 -2.012 -4.720 1.00 0.00 C ATOM 948 O VAL A 66 3.035 -1.232 -4.197 1.00 0.00 O ATOM 949 CB VAL A 66 2.325 -4.300 -3.581 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.635 -5.780 -3.757 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.073 -3.750 -2.380 1.00 0.00 C ATOM 0 H VAL A 66 4.584 -3.148 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 66 1.815 -3.919 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 66 1.260 -4.194 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.468 -6.301 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.984 -6.199 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.675 -5.900 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.873 -4.375 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.143 -3.748 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.741 -2.731 -2.179 1.00 0.00 H new ATOM 961 N SER A 67 1.074 -1.624 -5.216 1.00 0.00 N ATOM 962 CA SER A 67 0.685 -0.242 -5.433 1.00 0.00 C ATOM 963 C SER A 67 -0.457 0.088 -4.482 1.00 0.00 C ATOM 964 O SER A 67 -1.355 -0.736 -4.273 1.00 0.00 O ATOM 965 CB SER A 67 0.326 -0.007 -6.914 1.00 0.00 C ATOM 966 OG SER A 67 0.091 -1.223 -7.612 1.00 0.00 O ATOM 0 H SER A 67 0.349 -2.288 -5.489 1.00 0.00 H new ATOM 0 HA SER A 67 1.513 0.433 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.562 0.622 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.136 0.538 -7.400 1.00 0.00 H new ATOM 0 HG SER A 67 -0.135 -1.026 -8.545 1.00 0.00 H new ATOM 972 N VAL A 68 -0.418 1.271 -3.882 1.00 0.00 N ATOM 973 CA VAL A 68 -1.255 1.646 -2.749 1.00 0.00 C ATOM 974 C VAL A 68 -1.994 2.922 -3.081 1.00 0.00 C ATOM 975 O VAL A 68 -1.411 3.795 -3.717 1.00 0.00 O ATOM 976 CB VAL A 68 -0.401 1.839 -1.476 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.310 0.548 -0.670 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.016 2.368 -1.750 1.00 0.00 C ATOM 0 H VAL A 68 0.213 2.016 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.971 0.847 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.923 2.603 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.297 0.716 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.310 0.234 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.148 -0.230 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.552 2.477 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.549 1.666 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.953 3.337 -2.246 1.00 0.00 H new ATOM 988 N SER A 69 -3.241 3.039 -2.629 1.00 0.00 N ATOM 989 CA SER A 69 -4.158 4.124 -2.931 1.00 0.00 C ATOM 990 C SER A 69 -5.076 4.351 -1.729 1.00 0.00 C ATOM 991 O SER A 69 -5.709 3.395 -1.271 1.00 0.00 O ATOM 992 CB SER A 69 -4.970 3.768 -4.198 1.00 0.00 C ATOM 993 OG SER A 69 -5.000 2.380 -4.485 1.00 0.00 O ATOM 0 H SER A 69 -3.655 2.341 -2.011 1.00 0.00 H new ATOM 0 HA SER A 69 -3.609 5.045 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.992 4.127 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.546 4.297 -5.051 1.00 0.00 H new ATOM 0 HG SER A 69 -5.530 2.225 -5.295 1.00 0.00 H new ATOM 999 N VAL A 70 -5.154 5.591 -1.233 1.00 0.00 N ATOM 1000 CA VAL A 70 -6.031 6.010 -0.143 1.00 0.00 C ATOM 1001 C VAL A 70 -6.382 7.506 -0.285 1.00 0.00 C ATOM 1002 O VAL A 70 -5.689 8.255 -0.974 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.320 5.702 1.186 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -4.025 6.503 1.338 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.232 6.010 2.367 1.00 0.00 C ATOM 0 H VAL A 70 -4.585 6.356 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.975 5.465 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.074 4.640 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.554 6.256 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.346 6.255 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.251 7.569 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.711 5.785 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.506 7.065 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.133 5.400 2.300 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.442 7.969 0.374 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.024 9.290 0.195 1.00 0.00 C ATOM 1017 C TRP A 71 -7.833 10.127 1.458 1.00 0.00 C ATOM 1018 O TRP A 71 -8.102 9.647 2.561 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.500 9.083 -0.120 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.773 8.329 -1.388 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -9.914 6.989 -1.481 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -9.922 8.831 -2.750 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.173 6.636 -2.786 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.188 7.731 -3.619 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -9.858 10.104 -3.343 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.393 7.897 -4.999 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.076 10.289 -4.718 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.342 9.190 -5.547 1.00 0.00 C ATOM 0 H TRP A 71 -7.934 7.411 1.072 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.539 9.832 -0.617 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.963 8.550 0.710 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.984 10.058 -0.182 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.835 6.298 -0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.334 5.678 -3.098 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.636 10.962 -2.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.587 7.042 -5.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.039 11.283 -5.139 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.507 9.337 -6.604 1.00 0.00 H new ATOM 1039 N THR A 72 -7.357 11.367 1.316 1.00 0.00 N ATOM 1040 CA THR A 72 -6.796 12.120 2.441 1.00 0.00 C ATOM 1041 C THR A 72 -7.050 13.628 2.278 1.00 0.00 C ATOM 1042 O THR A 72 -6.126 14.443 2.362 1.00 0.00 O ATOM 1043 CB THR A 72 -5.327 11.703 2.614 1.00 0.00 C ATOM 1044 OG1 THR A 72 -4.635 12.425 3.611 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.515 11.737 1.320 1.00 0.00 C ATOM 0 H THR A 72 -7.349 11.872 0.430 1.00 0.00 H new ATOM 0 HA THR A 72 -7.298 11.879 3.378 1.00 0.00 H new ATOM 0 HB THR A 72 -5.411 10.666 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.855 13.377 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.490 11.430 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.959 11.056 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.516 12.749 0.916 1.00 0.00 H new ATOM 1053 N GLY A 73 -8.292 14.010 1.984 1.00 0.00 N ATOM 1054 CA GLY A 73 -8.748 15.387 1.862 1.00 0.00 C ATOM 1055 C GLY A 73 -9.665 15.511 0.653 1.00 0.00 C ATOM 1056 O GLY A 73 -10.852 15.176 0.746 1.00 0.00 O ATOM 0 H GLY A 73 -9.038 13.335 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.277 15.688 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.894 16.056 1.755 1.00 0.00 H new ATOM 1060 N GLY A 74 -9.110 15.959 -0.471 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.804 16.191 -1.732 1.00 0.00 C ATOM 1062 C GLY A 74 -9.216 15.409 -2.906 1.00 0.00 C ATOM 1063 O GLY A 74 -9.728 15.544 -4.021 1.00 0.00 O ATOM 0 H GLY A 74 -8.116 16.180 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.853 15.920 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.773 17.256 -1.964 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.167 14.610 -2.687 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.526 13.811 -3.710 1.00 0.00 C ATOM 1069 C ALA A 75 -7.165 12.416 -3.202 1.00 0.00 C ATOM 1070 O ALA A 75 -7.286 12.090 -2.013 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.294 14.560 -4.232 1.00 0.00 C ATOM 0 H ALA A 75 -7.737 14.506 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.227 13.661 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.806 13.964 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.602 15.517 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.598 14.732 -3.411 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.746 11.586 -4.156 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.279 10.227 -3.990 1.00 0.00 C ATOM 1079 C LEU A 76 -4.762 10.275 -3.860 1.00 0.00 C ATOM 1080 O LEU A 76 -4.043 10.552 -4.826 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.663 9.410 -5.229 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.718 7.880 -5.062 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -6.070 7.170 -6.254 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.257 7.278 -3.748 1.00 0.00 C ATOM 0 H LEU A 76 -6.726 11.876 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.724 9.766 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.641 9.750 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.951 9.640 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.791 7.693 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.124 6.091 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.598 7.439 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.026 7.474 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.358 6.193 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.213 7.539 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.869 7.668 -2.935 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.260 9.999 -2.668 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.845 9.794 -2.454 1.00 0.00 C ATOM 1098 C CYS A 77 -2.590 8.337 -2.775 1.00 0.00 C ATOM 1099 O CYS A 77 -3.016 7.446 -2.041 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.440 10.132 -1.024 1.00 0.00 C ATOM 1101 SG CYS A 77 -1.925 11.876 -0.969 1.00 0.00 S ATOM 0 H CYS A 77 -4.826 9.912 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.248 10.450 -3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.274 9.961 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.625 9.486 -0.698 1.00 0.00 H new ATOM 0 HG CYS A 77 -1.215 12.085 0.100 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.932 8.087 -3.900 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.514 6.749 -4.259 1.00 0.00 C ATOM 1109 C ARG A 78 -0.030 6.804 -4.570 1.00 0.00 C ATOM 1110 O ARG A 78 0.515 7.897 -4.765 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.432 6.191 -5.365 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.956 6.332 -6.808 1.00 0.00 C ATOM 1113 CD ARG A 78 -1.093 5.150 -7.281 1.00 0.00 C ATOM 1114 NE ARG A 78 -1.133 5.016 -8.741 1.00 0.00 N ATOM 1115 CZ ARG A 78 -1.803 4.109 -9.455 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -2.557 3.190 -8.865 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -1.704 4.134 -10.775 1.00 0.00 N ATOM 0 H ARG A 78 -1.678 8.803 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.627 6.029 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.595 5.132 -5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.401 6.684 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.823 6.425 -7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.383 7.254 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.063 5.294 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.448 4.229 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.586 5.694 -9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.632 3.168 -7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.061 2.505 -9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.123 4.838 -11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.209 3.449 -11.337 1.00 0.00 H new ATOM 1131 N CYS A 79 0.608 5.643 -4.574 1.00 0.00 N ATOM 1132 CA CYS A 79 2.044 5.517 -4.724 1.00 0.00 C ATOM 1133 C CYS A 79 2.386 4.118 -5.232 1.00 0.00 C ATOM 1134 O CYS A 79 1.547 3.208 -5.218 1.00 0.00 O ATOM 1135 CB CYS A 79 2.683 5.795 -3.358 1.00 0.00 C ATOM 1136 SG CYS A 79 4.496 5.940 -3.339 1.00 0.00 S ATOM 0 H CYS A 79 0.130 4.748 -4.471 1.00 0.00 H new ATOM 0 HA CYS A 79 2.430 6.230 -5.452 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.261 6.719 -2.963 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.395 4.995 -2.675 1.00 0.00 H new ATOM 0 HG CYS A 79 4.847 7.066 -3.885 1.00 0.00 H new ATOM 1142 N ASP A 80 3.643 3.970 -5.635 1.00 0.00 N ATOM 1143 CA ASP A 80 4.285 2.719 -6.005 1.00 0.00 C ATOM 1144 C ASP A 80 5.016 2.193 -4.768 1.00 0.00 C ATOM 1145 O ASP A 80 5.477 2.975 -3.928 1.00 0.00 O ATOM 1146 CB ASP A 80 5.321 2.961 -7.118 1.00 0.00 C ATOM 1147 CG ASP A 80 4.752 3.310 -8.496 1.00 0.00 C ATOM 1148 OD1 ASP A 80 3.709 3.988 -8.598 1.00 0.00 O ATOM 1149 OD2 ASP A 80 5.412 2.995 -9.516 1.00 0.00 O ATOM 0 H ASP A 80 4.275 4.766 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 80 3.539 2.010 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.981 3.769 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.936 2.066 -7.216 1.00 0.00 H new ATOM 1154 N GLY A 81 5.189 0.879 -4.676 1.00 0.00 N ATOM 1155 CA GLY A 81 5.931 0.243 -3.601 1.00 0.00 C ATOM 1156 C GLY A 81 6.269 -1.200 -3.944 1.00 0.00 C ATOM 1157 O GLY A 81 5.972 -1.672 -5.045 1.00 0.00 O ATOM 0 H GLY A 81 4.812 0.220 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.849 0.799 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.344 0.273 -2.683 1.00 0.00 H new ATOM 1161 N ARG A 82 6.914 -1.910 -3.016 1.00 0.00 N ATOM 1162 CA ARG A 82 7.207 -3.341 -3.122 1.00 0.00 C ATOM 1163 C ARG A 82 6.969 -4.021 -1.780 1.00 0.00 C ATOM 1164 O ARG A 82 6.911 -3.318 -0.775 1.00 0.00 O ATOM 1165 CB ARG A 82 8.638 -3.599 -3.589 1.00 0.00 C ATOM 1166 CG ARG A 82 8.962 -2.968 -4.951 1.00 0.00 C ATOM 1167 CD ARG A 82 10.283 -3.564 -5.410 1.00 0.00 C ATOM 1168 NE ARG A 82 10.987 -2.684 -6.349 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.307 -2.644 -6.553 1.00 0.00 C ATOM 1170 NH1 ARG A 82 13.145 -3.494 -5.961 1.00 0.00 N ATOM 1171 NH2 ARG A 82 12.813 -1.726 -7.355 1.00 0.00 N ATOM 0 H ARG A 82 7.255 -1.496 -2.149 1.00 0.00 H new ATOM 0 HA ARG A 82 6.535 -3.760 -3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.331 -3.209 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.804 -4.675 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.172 -3.178 -5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.036 -1.884 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.917 -3.750 -4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.100 -4.528 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 82 10.415 -2.042 -6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.785 -4.207 -5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.147 -3.432 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.198 -1.054 -7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.819 -1.688 -7.516 1.00 0.00 H new ATOM 1185 N VAL A 83 6.890 -5.354 -1.743 1.00 0.00 N ATOM 1186 CA VAL A 83 6.595 -6.107 -0.522 1.00 0.00 C ATOM 1187 C VAL A 83 7.639 -5.888 0.586 1.00 0.00 C ATOM 1188 O VAL A 83 7.287 -5.861 1.758 1.00 0.00 O ATOM 1189 CB VAL A 83 6.381 -7.594 -0.860 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.383 -8.524 0.355 1.00 0.00 C ATOM 1191 CG2 VAL A 83 5.035 -7.812 -1.572 1.00 0.00 C ATOM 0 H VAL A 83 7.030 -5.944 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 83 5.666 -5.719 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 83 7.230 -7.844 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.226 -9.552 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.341 -8.449 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.583 -8.234 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.911 -8.871 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.223 -7.482 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.016 -7.238 -2.498 1.00 0.00 H new ATOM 1201 N GLU A 84 8.914 -5.711 0.248 1.00 0.00 N ATOM 1202 CA GLU A 84 10.048 -5.581 1.170 1.00 0.00 C ATOM 1203 C GLU A 84 10.314 -6.874 1.972 1.00 0.00 C ATOM 1204 O GLU A 84 11.349 -7.515 1.781 1.00 0.00 O ATOM 1205 CB GLU A 84 9.853 -4.344 2.069 1.00 0.00 C ATOM 1206 CG GLU A 84 11.146 -3.604 2.428 1.00 0.00 C ATOM 1207 CD GLU A 84 12.217 -4.413 3.149 1.00 0.00 C ATOM 1208 OE1 GLU A 84 11.895 -5.212 4.056 1.00 0.00 O ATOM 1209 OE2 GLU A 84 13.401 -4.176 2.815 1.00 0.00 O ATOM 0 H GLU A 84 9.203 -5.651 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 84 10.952 -5.428 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.180 -3.649 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.361 -4.655 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.579 -3.209 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.887 -2.749 3.052 1.00 0.00 H new ATOM 1216 N THR A 85 9.394 -7.257 2.858 1.00 0.00 N ATOM 1217 CA THR A 85 9.424 -8.419 3.732 1.00 0.00 C ATOM 1218 C THR A 85 7.992 -8.952 3.791 1.00 0.00 C ATOM 1219 O THR A 85 7.081 -8.248 4.231 1.00 0.00 O ATOM 1220 CB THR A 85 9.935 -8.012 5.128 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.271 -7.550 5.067 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.918 -9.185 6.115 1.00 0.00 C ATOM 0 H THR A 85 8.540 -6.714 2.990 1.00 0.00 H new ATOM 0 HA THR A 85 10.099 -9.190 3.361 1.00 0.00 H new ATOM 0 HB THR A 85 9.262 -7.226 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.305 -6.714 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.286 -8.850 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.898 -9.555 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.557 -9.985 5.741 1.00 0.00 H new ATOM 1230 N LEU A 86 7.773 -10.179 3.322 1.00 0.00 N ATOM 1231 CA LEU A 86 6.503 -10.875 3.503 1.00 0.00 C ATOM 1232 C LEU A 86 6.589 -11.647 4.817 1.00 0.00 C ATOM 1233 O LEU A 86 7.690 -11.962 5.267 1.00 0.00 O ATOM 1234 CB LEU A 86 6.252 -11.826 2.320 1.00 0.00 C ATOM 1235 CG LEU A 86 4.768 -12.172 2.098 1.00 0.00 C ATOM 1236 CD1 LEU A 86 4.121 -11.139 1.172 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.628 -13.538 1.429 1.00 0.00 C ATOM 0 H LEU A 86 8.470 -10.717 2.807 1.00 0.00 H new ATOM 0 HA LEU A 86 5.672 -10.171 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.648 -11.372 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.809 -12.749 2.484 1.00 0.00 H new ATOM 0 HG LEU A 86 4.281 -12.178 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.072 -11.392 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.194 -10.150 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.636 -11.139 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.572 -13.764 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.135 -13.524 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.077 -14.302 2.064 1.00 0.00 H new ATOM 1249 N ARG A 87 5.457 -12.037 5.394 1.00 0.00 N ATOM 1250 CA ARG A 87 5.411 -12.923 6.551 1.00 0.00 C ATOM 1251 C ARG A 87 4.519 -14.104 6.222 1.00 0.00 C ATOM 1252 O ARG A 87 4.978 -15.242 6.302 1.00 0.00 O ATOM 1253 CB ARG A 87 4.990 -12.106 7.782 1.00 0.00 C ATOM 1254 CG ARG A 87 4.323 -12.883 8.921 1.00 0.00 C ATOM 1255 CD ARG A 87 3.948 -11.867 9.997 1.00 0.00 C ATOM 1256 NE ARG A 87 3.107 -12.460 11.042 1.00 0.00 N ATOM 1257 CZ ARG A 87 3.036 -12.081 12.319 1.00 0.00 C ATOM 1258 NH1 ARG A 87 3.857 -11.168 12.829 1.00 0.00 N ATOM 1259 NH2 ARG A 87 2.107 -12.624 13.089 1.00 0.00 N ATOM 0 H ARG A 87 4.536 -11.743 5.068 1.00 0.00 H new ATOM 0 HA ARG A 87 6.385 -13.346 6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.874 -11.608 8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.305 -11.324 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.438 -13.409 8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.001 -13.637 9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.855 -11.464 10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.421 -11.031 9.538 1.00 0.00 H new ATOM 0 HE ARG A 87 2.515 -13.243 10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.568 -10.735 12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.776 -10.901 13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.465 -13.316 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.033 -12.350 14.069 1.00 0.00 H new ATOM 1273 N ASP A 88 3.272 -13.855 5.833 1.00 0.00 N ATOM 1274 CA ASP A 88 2.320 -14.881 5.421 1.00 0.00 C ATOM 1275 C ASP A 88 1.407 -14.267 4.375 1.00 0.00 C ATOM 1276 O ASP A 88 1.430 -13.055 4.150 1.00 0.00 O ATOM 1277 CB ASP A 88 1.474 -15.384 6.608 1.00 0.00 C ATOM 1278 CG ASP A 88 2.253 -16.323 7.518 1.00 0.00 C ATOM 1279 OD1 ASP A 88 2.634 -17.420 7.048 1.00 0.00 O ATOM 1280 OD2 ASP A 88 2.526 -15.943 8.679 1.00 0.00 O ATOM 0 H ASP A 88 2.886 -12.911 5.795 1.00 0.00 H new ATOM 0 HA ASP A 88 2.865 -15.737 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.121 -14.530 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.591 -15.899 6.229 1.00 0.00 H new ATOM 1285 N ASP A 89 0.518 -15.072 3.802 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.473 -14.662 2.812 1.00 0.00 C ATOM 1287 C ASP A 89 -1.598 -13.811 3.433 1.00 0.00 C ATOM 1288 O ASP A 89 -2.690 -13.718 2.871 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.034 -15.894 2.089 1.00 0.00 C ATOM 1290 CG ASP A 89 0.008 -16.656 1.266 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.851 -16.036 0.580 1.00 0.00 O ATOM 1292 OD2 ASP A 89 0.040 -17.904 1.385 1.00 0.00 O ATOM 0 H ASP A 89 0.466 -16.066 4.023 1.00 0.00 H new ATOM 0 HA ASP A 89 0.026 -14.025 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.466 -16.571 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.844 -15.580 1.431 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.355 -13.155 4.572 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.210 -12.108 5.127 1.00 0.00 C ATOM 1299 C ARG A 90 -1.458 -11.017 5.884 1.00 0.00 C ATOM 1300 O ARG A 90 -2.090 -10.049 6.284 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.297 -12.714 6.029 1.00 0.00 C ATOM 1302 CG ARG A 90 -2.750 -13.673 7.098 1.00 0.00 C ATOM 1303 CD ARG A 90 -3.901 -14.141 7.986 1.00 0.00 C ATOM 1304 NE ARG A 90 -3.503 -15.260 8.853 1.00 0.00 N ATOM 1305 CZ ARG A 90 -4.333 -15.991 9.603 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -5.617 -15.649 9.707 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -3.884 -17.072 10.227 1.00 0.00 N ATOM 0 H ARG A 90 -0.534 -13.345 5.147 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.665 -11.622 4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.840 -11.907 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.016 -13.249 5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.269 -14.529 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.991 -13.172 7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.246 -13.310 8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.741 -14.446 7.362 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.512 -15.498 8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.968 -14.828 9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.249 -16.208 10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.906 -17.345 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.517 -17.630 10.800 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.147 -11.129 6.113 1.00 0.00 N ATOM 1322 CA GLN A 91 0.619 -10.102 6.796 1.00 0.00 C ATOM 1323 C GLN A 91 1.934 -9.963 6.063 1.00 0.00 C ATOM 1324 O GLN A 91 2.606 -10.958 5.781 1.00 0.00 O ATOM 1325 CB GLN A 91 0.878 -10.478 8.253 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.397 -10.477 9.105 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.100 -10.611 10.597 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.123 -11.708 11.147 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.173 -9.523 11.296 1.00 0.00 N ATOM 0 H GLN A 91 0.406 -11.937 5.827 1.00 0.00 H new ATOM 0 HA GLN A 91 0.062 -9.165 6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.334 -11.467 8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.596 -9.779 8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.948 -9.553 8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.042 -11.298 8.790 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.191 -8.613 10.836 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.365 -9.594 12.295 1.00 0.00 H new ATOM 1338 N PHE A 92 2.287 -8.726 5.759 1.00 0.00 N ATOM 1339 CA PHE A 92 3.492 -8.354 5.044 1.00 0.00 C ATOM 1340 C PHE A 92 3.722 -6.854 5.185 1.00 0.00 C ATOM 1341 O PHE A 92 2.794 -6.090 5.489 1.00 0.00 O ATOM 1342 CB PHE A 92 3.389 -8.781 3.572 1.00 0.00 C ATOM 1343 CG PHE A 92 2.110 -8.413 2.837 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.962 -7.147 2.244 1.00 0.00 C ATOM 1345 CD2 PHE A 92 1.053 -9.339 2.757 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.756 -6.775 1.626 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.164 -8.958 2.161 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.317 -7.679 1.601 1.00 0.00 C ATOM 0 H PHE A 92 1.716 -7.920 6.015 1.00 0.00 H new ATOM 0 HA PHE A 92 4.351 -8.871 5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.229 -8.343 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.509 -9.863 3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.787 -6.450 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.175 -10.337 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.656 -5.800 1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.988 -9.656 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.257 -7.392 1.153 1.00 0.00 H new ATOM 1358 N ALA A 93 4.974 -6.465 4.969 1.00 0.00 N ATOM 1359 CA ALA A 93 5.414 -5.089 4.906 1.00 0.00 C ATOM 1360 C ALA A 93 5.104 -4.507 3.526 1.00 0.00 C ATOM 1361 O ALA A 93 4.698 -5.224 2.616 1.00 0.00 O ATOM 1362 CB ALA A 93 6.923 -5.027 5.166 1.00 0.00 C ATOM 0 H ALA A 93 5.734 -7.131 4.828 1.00 0.00 H new ATOM 0 HA ALA A 93 4.889 -4.506 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.258 -3.991 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.139 -5.434 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.447 -5.612 4.410 1.00 0.00 H new ATOM 1368 N ILE A 94 5.372 -3.216 3.348 1.00 0.00 N ATOM 1369 CA ILE A 94 5.586 -2.593 2.060 1.00 0.00 C ATOM 1370 C ILE A 94 6.686 -1.546 2.208 1.00 0.00 C ATOM 1371 O ILE A 94 6.701 -0.803 3.191 1.00 0.00 O ATOM 1372 CB ILE A 94 4.289 -1.963 1.509 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.519 -1.098 2.537 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.400 -3.061 0.912 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.292 -0.389 1.952 1.00 0.00 C ATOM 0 H ILE A 94 5.447 -2.560 4.126 1.00 0.00 H new ATOM 0 HA ILE A 94 5.891 -3.352 1.339 1.00 0.00 H new ATOM 0 HB ILE A 94 4.582 -1.263 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.201 -1.731 3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.197 -0.351 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.484 -2.616 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.933 -3.561 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.150 -3.788 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.805 0.197 2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.605 0.271 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.593 -1.131 1.565 1.00 0.00 H new ATOM 1387 N ARG A 95 7.576 -1.461 1.219 1.00 0.00 N ATOM 1388 CA ARG A 95 8.477 -0.337 0.994 1.00 0.00 C ATOM 1389 C ARG A 95 7.786 0.579 0.006 1.00 0.00 C ATOM 1390 O ARG A 95 7.627 0.210 -1.153 1.00 0.00 O ATOM 1391 CB ARG A 95 9.826 -0.810 0.429 1.00 0.00 C ATOM 1392 CG ARG A 95 10.882 0.307 0.375 1.00 0.00 C ATOM 1393 CD ARG A 95 11.512 0.599 1.747 1.00 0.00 C ATOM 1394 NE ARG A 95 12.456 -0.449 2.169 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.701 -0.622 1.709 1.00 0.00 C ATOM 1396 NH1 ARG A 95 14.226 0.210 0.813 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.448 -1.623 2.156 1.00 0.00 N ATOM 0 H ARG A 95 7.691 -2.203 0.528 1.00 0.00 H new ATOM 0 HA ARG A 95 8.690 0.176 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.203 -1.629 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.674 -1.207 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.667 0.025 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.422 1.217 -0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.031 1.557 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.723 0.694 2.493 1.00 0.00 H new ATOM 0 HE ARG A 95 12.131 -1.105 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.678 0.996 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.177 0.061 0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.074 -2.266 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.396 -1.750 1.802 1.00 0.00 H new ATOM 1411 N LEU A 96 7.383 1.760 0.455 1.00 0.00 N ATOM 1412 CA LEU A 96 7.003 2.850 -0.433 1.00 0.00 C ATOM 1413 C LEU A 96 8.263 3.402 -1.073 1.00 0.00 C ATOM 1414 O LEU A 96 9.269 3.583 -0.376 1.00 0.00 O ATOM 1415 CB LEU A 96 6.339 3.963 0.379 1.00 0.00 C ATOM 1416 CG LEU A 96 4.812 3.868 0.446 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.245 2.480 0.729 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.320 4.841 1.522 1.00 0.00 C ATOM 0 H LEU A 96 7.310 1.989 1.446 1.00 0.00 H new ATOM 0 HA LEU A 96 6.309 2.488 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.738 3.944 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.613 4.925 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 96 4.452 4.119 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.156 2.530 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.559 1.792 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.614 2.125 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.233 4.791 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.755 4.570 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.621 5.855 1.260 1.00 0.00 H new ATOM 1430 N VAL A 97 8.190 3.724 -2.362 1.00 0.00 N ATOM 1431 CA VAL A 97 9.328 4.232 -3.112 1.00 0.00 C ATOM 1432 C VAL A 97 8.941 5.479 -3.904 1.00 0.00 C ATOM 1433 O VAL A 97 7.881 5.536 -4.536 1.00 0.00 O ATOM 1434 CB VAL A 97 9.917 3.117 -4.001 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.479 1.980 -3.144 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.955 2.502 -5.031 1.00 0.00 C ATOM 0 H VAL A 97 7.337 3.639 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 97 10.111 4.538 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 97 10.695 3.628 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.889 1.205 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.267 2.367 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.682 1.557 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.475 1.731 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.103 2.060 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.604 3.279 -5.711 1.00 0.00 H new ATOM 1446 N GLY A 98 9.837 6.463 -3.931 1.00 0.00 N ATOM 1447 CA GLY A 98 9.767 7.612 -4.813 1.00 0.00 C ATOM 1448 C GLY A 98 9.100 8.802 -4.149 1.00 0.00 C ATOM 1449 O GLY A 98 9.779 9.662 -3.586 1.00 0.00 O ATOM 0 H GLY A 98 10.653 6.478 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.773 7.890 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.215 7.344 -5.714 1.00 0.00 H new ATOM 1453 N ARG A 99 7.775 8.872 -4.279 1.00 0.00 N ATOM 1454 CA ARG A 99 6.943 9.981 -3.809 1.00 0.00 C ATOM 1455 C ARG A 99 5.496 9.535 -3.691 1.00 0.00 C ATOM 1456 O ARG A 99 5.022 8.791 -4.555 1.00 0.00 O ATOM 1457 CB ARG A 99 6.980 11.131 -4.835 1.00 0.00 C ATOM 1458 CG ARG A 99 7.317 12.490 -4.224 1.00 0.00 C ATOM 1459 CD ARG A 99 6.359 13.055 -3.173 1.00 0.00 C ATOM 1460 NE ARG A 99 6.460 14.524 -3.100 1.00 0.00 N ATOM 1461 CZ ARG A 99 7.352 15.261 -2.428 1.00 0.00 C ATOM 1462 NH1 ARG A 99 8.193 14.734 -1.550 1.00 0.00 N ATOM 1463 NH2 ARG A 99 7.369 16.570 -2.619 1.00 0.00 N ATOM 0 H ARG A 99 7.233 8.134 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 99 7.327 10.306 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.716 10.896 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.011 11.196 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.306 12.418 -3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.389 13.214 -5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.336 12.769 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.587 12.623 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 99 5.761 15.045 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.175 13.731 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.858 15.331 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.710 16.999 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.041 17.150 -2.117 1.00 0.00 H new ATOM 1477 N VAL A 100 4.765 10.125 -2.744 1.00 0.00 N ATOM 1478 CA VAL A 100 3.310 10.175 -2.761 1.00 0.00 C ATOM 1479 C VAL A 100 2.948 11.621 -3.117 1.00 0.00 C ATOM 1480 O VAL A 100 3.289 12.517 -2.342 1.00 0.00 O ATOM 1481 CB VAL A 100 2.711 9.802 -1.383 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.175 9.739 -1.449 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.219 8.497 -0.758 1.00 0.00 C ATOM 0 H VAL A 100 5.177 10.587 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 100 2.907 9.459 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 100 3.057 10.606 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.779 9.475 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.784 10.711 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.873 8.986 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.730 8.340 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.991 7.663 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.297 8.560 -0.611 1.00 0.00 H new ATOM 1493 N ARG A 101 2.321 11.873 -4.276 1.00 0.00 N ATOM 1494 CA ARG A 101 2.070 13.247 -4.747 1.00 0.00 C ATOM 1495 C ARG A 101 0.667 13.462 -5.314 1.00 0.00 C ATOM 1496 O ARG A 101 0.512 14.239 -6.247 1.00 0.00 O ATOM 1497 CB ARG A 101 3.214 13.721 -5.674 1.00 0.00 C ATOM 1498 CG ARG A 101 3.425 12.996 -7.022 1.00 0.00 C ATOM 1499 CD ARG A 101 2.696 13.642 -8.217 1.00 0.00 C ATOM 1500 NE ARG A 101 3.596 13.896 -9.358 1.00 0.00 N ATOM 1501 CZ ARG A 101 3.242 13.962 -10.648 1.00 0.00 C ATOM 1502 NH1 ARG A 101 2.024 13.593 -11.039 1.00 0.00 N ATOM 1503 NH2 ARG A 101 4.123 14.389 -11.542 1.00 0.00 N ATOM 0 H ARG A 101 1.978 11.146 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 101 2.081 13.898 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.049 14.777 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 101 4.145 13.651 -5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.493 12.963 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.088 11.964 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.883 12.991 -8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.245 14.582 -7.898 1.00 0.00 H new ATOM 0 HE ARG A 101 4.584 14.035 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.349 13.255 -10.353 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.766 13.648 -12.024 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.059 14.663 -11.245 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.864 14.443 -12.527 1.00 0.00 H new ATOM 1517 N GLU A 102 -0.336 12.793 -4.742 1.00 0.00 N ATOM 1518 CA GLU A 102 -1.769 12.884 -5.059 1.00 0.00 C ATOM 1519 C GLU A 102 -2.090 12.817 -6.567 1.00 0.00 C ATOM 1520 O GLU A 102 -2.077 13.830 -7.267 1.00 0.00 O ATOM 1521 CB GLU A 102 -2.457 14.049 -4.314 1.00 0.00 C ATOM 1522 CG GLU A 102 -1.824 15.441 -4.476 1.00 0.00 C ATOM 1523 CD GLU A 102 -2.641 16.534 -3.782 1.00 0.00 C ATOM 1524 OE1 GLU A 102 -3.825 16.731 -4.133 1.00 0.00 O ATOM 1525 OE2 GLU A 102 -2.146 17.204 -2.850 1.00 0.00 O ATOM 0 H GLU A 102 -0.159 12.125 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.220 11.972 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.492 14.104 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.480 13.807 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.814 15.429 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.734 15.676 -5.537 1.00 0.00 H new ATOM 1532 N LEU A 103 -2.358 11.610 -7.092 1.00 0.00 N ATOM 1533 CA LEU A 103 -2.300 11.332 -8.540 1.00 0.00 C ATOM 1534 C LEU A 103 -3.679 11.116 -9.200 1.00 0.00 C ATOM 1535 O LEU A 103 -3.745 10.918 -10.417 1.00 0.00 O ATOM 1536 CB LEU A 103 -1.352 10.154 -8.895 1.00 0.00 C ATOM 1537 CG LEU A 103 -0.295 9.672 -7.885 1.00 0.00 C ATOM 1538 CD1 LEU A 103 0.417 8.422 -8.420 1.00 0.00 C ATOM 1539 CD2 LEU A 103 0.781 10.708 -7.582 1.00 0.00 C ATOM 0 H LEU A 103 -2.620 10.801 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.884 12.248 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.980 9.297 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.823 10.430 -9.807 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.846 9.469 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.162 8.090 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.312 7.628 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.908 8.659 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.490 10.297 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.306 10.967 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.318 11.602 -7.164 1.00 0.00 H new ATOM 1551 N GLN A 104 -4.774 11.118 -8.438 1.00 0.00 N ATOM 1552 CA GLN A 104 -6.155 11.278 -8.915 1.00 0.00 C ATOM 1553 C GLN A 104 -6.822 12.259 -7.949 1.00 0.00 C ATOM 1554 O GLN A 104 -6.339 12.419 -6.826 1.00 0.00 O ATOM 1555 CB GLN A 104 -6.923 9.939 -8.903 1.00 0.00 C ATOM 1556 CG GLN A 104 -6.628 8.955 -10.044 1.00 0.00 C ATOM 1557 CD GLN A 104 -7.593 9.123 -11.215 1.00 0.00 C ATOM 1558 OE1 GLN A 104 -7.202 9.544 -12.298 1.00 0.00 O ATOM 1559 NE2 GLN A 104 -8.863 8.771 -11.044 1.00 0.00 N ATOM 0 H GLN A 104 -4.724 11.003 -7.426 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.161 11.636 -9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.712 9.436 -7.959 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.990 10.161 -8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.606 9.103 -10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.692 7.934 -9.667 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -9.178 8.422 -10.139 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -9.523 8.850 -11.818 1.00 0.00 H new ATOM 1568 N ARG A 105 -7.955 12.860 -8.316 1.00 0.00 N ATOM 1569 CA ARG A 105 -8.698 13.793 -7.464 1.00 0.00 C ATOM 1570 C ARG A 105 -10.115 13.276 -7.223 1.00 0.00 C ATOM 1571 O ARG A 105 -10.579 12.370 -7.922 1.00 0.00 O ATOM 1572 CB ARG A 105 -8.641 15.205 -8.069 1.00 0.00 C ATOM 1573 CG ARG A 105 -7.260 15.844 -7.841 1.00 0.00 C ATOM 1574 CD ARG A 105 -6.776 16.711 -9.005 1.00 0.00 C ATOM 1575 NE ARG A 105 -7.385 18.049 -9.064 1.00 0.00 N ATOM 1576 CZ ARG A 105 -7.091 18.951 -10.012 1.00 0.00 C ATOM 1577 NH1 ARG A 105 -6.283 18.643 -11.023 1.00 0.00 N ATOM 1578 NH2 ARG A 105 -7.594 20.174 -9.949 1.00 0.00 N ATOM 0 H ARG A 105 -8.390 12.711 -9.227 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.236 13.861 -6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.852 15.156 -9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.414 15.829 -7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -7.298 16.454 -6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.531 15.054 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -5.694 16.821 -8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.983 16.190 -9.940 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.065 18.303 -8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.877 17.709 -11.085 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.069 19.341 -11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.208 20.434 -9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.367 20.857 -10.672 1.00 0.00 H new ATOM 1592 N ARG A 106 -10.769 13.792 -6.179 1.00 0.00 N ATOM 1593 CA ARG A 106 -12.088 13.355 -5.735 1.00 0.00 C ATOM 1594 C ARG A 106 -13.101 14.370 -6.248 1.00 0.00 C ATOM 1595 O ARG A 106 -12.845 15.574 -6.147 1.00 0.00 O ATOM 1596 CB ARG A 106 -12.081 13.253 -4.197 1.00 0.00 C ATOM 1597 CG ARG A 106 -13.103 12.241 -3.668 1.00 0.00 C ATOM 1598 CD ARG A 106 -12.908 12.033 -2.158 1.00 0.00 C ATOM 1599 NE ARG A 106 -13.807 11.000 -1.624 1.00 0.00 N ATOM 1600 CZ ARG A 106 -14.858 11.154 -0.811 1.00 0.00 C ATOM 1601 NH1 ARG A 106 -15.243 12.350 -0.372 1.00 0.00 N ATOM 1602 NH2 ARG A 106 -15.527 10.079 -0.429 1.00 0.00 N ATOM 0 H ARG A 106 -10.383 14.544 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 106 -12.354 12.372 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -11.085 12.967 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -12.292 14.234 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -14.114 12.596 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.990 11.291 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.874 11.750 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -13.086 12.973 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 106 -13.603 10.042 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -14.732 13.186 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -16.050 12.431 0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -15.238 9.156 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -16.332 10.173 0.191 1.00 0.00 H new ATOM 1616 N GLU A 107 -14.247 13.946 -6.771 1.00 0.00 N ATOM 1617 CA GLU A 107 -15.267 14.840 -7.323 1.00 0.00 C ATOM 1618 C GLU A 107 -16.655 14.433 -6.829 1.00 0.00 C ATOM 1619 O GLU A 107 -17.510 14.045 -7.623 1.00 0.00 O ATOM 1620 CB GLU A 107 -15.191 14.852 -8.859 1.00 0.00 C ATOM 1621 CG GLU A 107 -15.997 16.037 -9.406 1.00 0.00 C ATOM 1622 CD GLU A 107 -16.519 15.785 -10.814 1.00 0.00 C ATOM 1623 OE1 GLU A 107 -15.783 16.105 -11.776 1.00 0.00 O ATOM 1624 OE2 GLU A 107 -17.641 15.255 -10.983 1.00 0.00 O ATOM 0 H GLU A 107 -14.500 12.959 -6.826 1.00 0.00 H new ATOM 0 HA GLU A 107 -15.078 15.855 -6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -14.152 14.926 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -15.583 13.917 -9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -16.837 16.239 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.370 16.929 -9.408 1.00 0.00 H new ATOM 1631 N TYR A 108 -16.883 14.498 -5.518 1.00 0.00 N ATOM 1632 CA TYR A 108 -18.173 14.219 -4.872 1.00 0.00 C ATOM 1633 C TYR A 108 -18.785 12.834 -5.182 1.00 0.00 C ATOM 1634 O TYR A 108 -19.914 12.559 -4.774 1.00 0.00 O ATOM 1635 CB TYR A 108 -19.139 15.383 -5.128 1.00 0.00 C ATOM 1636 CG TYR A 108 -18.572 16.735 -4.734 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -18.550 17.122 -3.379 1.00 0.00 C ATOM 1638 CD2 TYR A 108 -18.042 17.593 -5.716 1.00 0.00 C ATOM 1639 CE1 TYR A 108 -18.032 18.375 -3.006 1.00 0.00 C ATOM 1640 CE2 TYR A 108 -17.518 18.844 -5.352 1.00 0.00 C ATOM 1641 CZ TYR A 108 -17.524 19.244 -3.998 1.00 0.00 C ATOM 1642 OH TYR A 108 -17.070 20.482 -3.665 1.00 0.00 O ATOM 0 H TYR A 108 -16.154 14.754 -4.852 1.00 0.00 H new ATOM 0 HA TYR A 108 -17.977 14.149 -3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -19.401 15.402 -6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -20.061 15.209 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -18.933 16.453 -2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -18.038 17.288 -6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -18.022 18.671 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -17.111 19.500 -6.107 1.00 0.00 H new ATOM 0 HH TYR A 108 -16.756 20.943 -4.471 1.00 0.00 H new ATOM 1652 N PHE A 109 -18.048 11.951 -5.864 1.00 0.00 N ATOM 1653 CA PHE A 109 -18.266 10.516 -5.899 1.00 0.00 C ATOM 1654 C PHE A 109 -17.804 10.026 -4.541 1.00 0.00 C ATOM 1655 O PHE A 109 -18.653 9.636 -3.715 1.00 0.00 O ATOM 1656 CB PHE A 109 -17.443 9.862 -7.025 1.00 0.00 C ATOM 1657 CG PHE A 109 -17.819 10.247 -8.441 1.00 0.00 C ATOM 1658 CD1 PHE A 109 -18.790 9.510 -9.142 1.00 0.00 C ATOM 1659 CD2 PHE A 109 -17.174 11.324 -9.077 1.00 0.00 C ATOM 1660 CE1 PHE A 109 -19.137 9.872 -10.458 1.00 0.00 C ATOM 1661 CE2 PHE A 109 -17.522 11.688 -10.390 1.00 0.00 C ATOM 1662 CZ PHE A 109 -18.503 10.959 -11.083 1.00 0.00 C ATOM 0 H PHE A 109 -17.249 12.238 -6.429 1.00 0.00 H new ATOM 0 HA PHE A 109 -19.307 10.263 -6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -16.393 10.111 -6.870 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -17.532 8.780 -6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -19.270 8.665 -8.671 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -16.407 11.875 -8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -19.893 9.312 -10.989 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -17.036 12.527 -10.865 1.00 0.00 H new ATOM 0 HZ PHE A 109 -18.769 11.233 -12.093 1.00 0.00 H new TER 1672 PHE A 109